A0A077ZHS4_TRITR Loading...

MAPEG and Phage integrase and DUF72 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZHS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 554 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
1M73.6Confident89.4Confident133 Ų13382.9 Ų82.966%0.65546%0.459SS*.  0-740-67.7-68.6-90.300111.1T3 I4 A5 F22 I25M1-T3 PolarHBondContact O-N 3.23Å; M1-I4 PolarHBondContact O-N 3.14Å; M1-A5 WeakPolarHBondContact O-CB 3.43Å; M1-A5 PolarHBondContact O-N 3.4Å; M1-F22 HydrophobicContact CE-CE1 4.3Å; M1-F22 HydrophobicContact SD-CD1 4.5Å; M1-F22 HydrophobicContact SD-CE1 3.77Å; M1-I25 HydrophobicContact CE-CG2 3.87Å
2T81.9Confident89.8Confident122 Ų12277.8 Ų77.875%0.74844%0.436SS*.Hα-helixtrans-57.5-46.8-172.5-44.20000114.9I4 A5 G6T2-I4 PolarHBondContact O-N 3.33Å; T2-A5 PolarHBondContact O-N 3.2Å; T2-G6 PolarHBondContact O-N 3.21Å
3T86.6Confident90.1Very high129 Ų12980.2 Ų80.279%0.79145%0.447SS*.Hα-helixtrans-62.1-42.9178.2-47.10000112.2M1 G6 M7M1-T3 PolarHBondContact O-N 3.23Å; T3-G6 PolarHBondContact O-N 3.48Å; T3-M7 PolarHBondContact O-N 3.48Å
4I89.9Confident90.5Very high83 Ų8382.5 Ų82.543%0.42645%0.452SS..Hα-helixtrans-67.7-46.3179.4-61.6173.9000110.1M1 T2 G6 M7 F8 F22M1-I4 PolarHBondContact O-N 3.14Å; T2-I4 PolarHBondContact O-N 3.33Å; I4-G6 PolarHBondContact O-N 3.3Å; I4-M7 WeakPolarHBondContact O-CB 3.21Å; I4-M7 PolarHBondContact O-N 3.45Å; I4-M7 VanDerWaalsContact O-N 3.1Å; I4-F8 HydrophobicContact CG2-CD2 3.63Å; I4-F8 HydrophobicContact CG2-CE2 3.61Å; I4-F8 WeakPolarHBondContact O-CD2 3.07Å; I4-F8 PolarHBondContact O-N 3.48Å; I4-F22 HydrophobicContact CB-CZ 4.32Å; I4-F22 HydrophobicContact CG2-CE2 3.64Å; I4-F22 HydrophobicContact CG2-CZ 3.61Å
5A88.8Confident90.6Very high24 Ų2481.3 Ų81.320%0.19847%0.466CS..Hα-helixtrans-58.7-36.7175.800000112.1M1 T2 Q9 N20 F22M1-A5 WeakPolarHBondContact O-CB 3.43Å; M1-A5 PolarHBondContact O-N 3.4Å; T2-A5 PolarHBondContact O-N 3.2Å; A5-Q9 WeakPolarHBondContact O-CB 3.32Å; A5-Q9 PolarHBondContact O-N 3.21Å; A5-N20 PolarHBondContact O-ND2 3.27Å; A5-N20 VanDerWaalsContact O-ND2 3.16Å; A5-F22 HydrophobicContact CB-CB 3.81Å; A5-F22 HydrophobicContact CB-CD1 3.95Å; A5-F22 HydrophobicContact CB-CD2 4.15Å; A5-F22 HydrophobicContact CB-CG 3.68Å
6G91.2Very high90.9Very high40 Ų4086.9 Ų86.941%0.41248%0.479SS..Hα-helixtrans-68.4-40173.600000113.3T2 T3 I4 Q9 F10T2-G6 PolarHBondContact O-N 3.21Å; T3-G6 PolarHBondContact O-N 3.48Å; I4-G6 PolarHBondContact O-N 3.3Å; G6-Q9 PolarHBondContact O-N 3.17Å; G6-F10 WeakPolarHBondContact O-CB 3.31Å; G6-F10 PolarHBondContact O-N 3.12Å
7M94Very high91.1Very high114 Ų11486 Ų8656%0.56247%0.473SS*.Hα-helixtrans-61.1-46173.3-178.3-167.980.100111.6T3 I4 Q9 F10 A11T3-M7 PolarHBondContact O-N 3.48Å; I4-M7 WeakPolarHBondContact O-CB 3.21Å; I4-M7 PolarHBondContact O-N 3.45Å; I4-M7 VanDerWaalsContact O-N 3.1Å; M7-Q9 VanDerWaalsContact C-N 3.34Å; M7-F10 WeakPolarHBondContact O-CB 3.46Å; M7-F10 PolarHBondContact O-N 3.35Å; M7-A11 WeakPolarHBondContact O-CB 3.26Å; M7-A11 PolarHBondContact O-N 3.03Å
8F94.7Very high91.1Very high57 Ų5792.7 Ų92.725%0.2550%0.5CS..Hα-helixtrans-68.4-33176.2-84-76.7000112.9I4 A11 A12 L17 N20 P21 F22I4-F8 HydrophobicContact CG2-CD2 3.63Å; I4-F8 HydrophobicContact CG2-CE2 3.61Å; I4-F8 WeakPolarHBondContact O-CD2 3.07Å; I4-F8 PolarHBondContact O-N 3.48Å; F8-A11 PolarHBondContact O-N 3.05Å; F8-A12 WeakPolarHBondContact O-CB 3.17Å; F8-A12 PolarHBondContact O-N 3.29Å; F8-L17 HydrophobicContact CD1-CD1 3.43Å; F8-L17 VanDerWaalsContact CD1-CD1 3.43Å; F8-L17 HydrophobicContact CE1-CD1 3.83Å; F8-N20 VanDerWaalsContact CB-OD1 3.26Å; F8-N20 WeakPolarHBondContact CB-OD1 3.42Å; F8-P21 HydrophobicContact CB-CG 4.24Å; F8-P21 HydrophobicContact CD1-CG 3.42Å; F8-P21 VanDerWaalsContact CD1-CG 3.42Å; F8-P21 HydrophobicContact CD2-CG 4.28Å; F8-P21 HydrophobicContact CE1-CG 3.74Å; F8-P21 HydrophobicContact CG-CG 3.73Å; F8-P21 HydrophobicContact CZ-CG 4.29Å; F8-F22 HydrophobicContact CB-CD2 4.22Å; F8-F22 AromaticContact CD2-CD2 3.91Å; F8-F22 HydrophobicContact CD2-CD2 3.91Å; F8-F22 AromaticContact CD2-CE2 3.47Å; F8-F22 HydrophobicContact CD2-CE2 3.47Å; F8-F22 VanDerWaalsContact CD2-CE2 3.47Å; F8-F22 AromaticContact CE2-CE2 3.86Å; F8-F22 HydrophobicContact CE2-CE2 3.86Å; F8-F22 HydrophobicContact CG-CD2 4.25Å; F8-F22 HydrophobicContact CG-CE2 4.23Å
9Q92.7Very high91.2Very high80 Ų8090.7 Ų90.737%0.37450%0.498SS..Hα-helixtrans-63.5-48171.8-168.960.851.500110.5A5 G6 M7 A11 A12 D13 N20A5-Q9 WeakPolarHBondContact O-CB 3.32Å; A5-Q9 PolarHBondContact O-N 3.21Å; G6-Q9 PolarHBondContact O-N 3.17Å; M7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-A11 VanDerWaalsContact C-N 3.29Å; Q9-A11 PolarHBondContact O-N 3.05Å; Q9-A12 PolarHBondContact O-N 3.36Å; Q9-D13 PolarHBondContact NE2-OD1 3.45Å; Q9-D13 WeakPolarHBondContact O-CB 3.14Å; Q9-D13 PolarHBondContact O-N 3.37Å; Q9-N20 WeakPolarHBondContact CA-ND2 3.39Å; Q9-N20 WeakPolarHBondContact CB-ND2 3.38Å; Q9-N20 PolarHBondContact N-ND2 3.02Å; Q9-N20 PolarHBondContact OE1-ND2 2.8Å
10F94.3Very high91.2Very high113 Ų11386.8 Ų86.850%0.49648%0.476SS..Hα-helixtrans-56.5-44.1174.8176.1-87.2000111.7G6 M7 D13 H14G6-F10 WeakPolarHBondContact O-CB 3.31Å; G6-F10 PolarHBondContact O-N 3.12Å; M7-F10 WeakPolarHBondContact O-CB 3.46Å; M7-F10 PolarHBondContact O-N 3.35Å; F10-D13 PolarHBondContact O-N 2.73Å; F10-H14 AromaticContact CD2-CE1 3.49Å; F10-H14 VanDerWaalsContact CD2-CE1 3.49Å; F10-H14 WeakPolarHBondContact CD2-CE1 3.41Å; F10-H14 AromaticContact CD2-ND1 3.71Å; F10-H14 AromaticContact CE2-CE1 3.19Å; F10-H14 WeakPolarHBondContact CE2-CE1 3.24Å; F10-H14 AromaticContact CE2-ND1 3.63Å; F10-H14 AromaticContact CE2-NE2 3.7Å; F10-H14 AromaticContact CG-ND1 3.98Å; F10-H14 AromaticContact CZ-CE1 3.69Å; F10-H14 AromaticContact CZ-ND1 3.81Å; F10-H14 AromaticContact CZ-NE2 3.93Å; F10-H14 PolarHBondContact O-N 3.39Å; F10-H14 VanDerWaalsContact O-N 3.11Å; F10-H14 PolarHBondContact O-ND1 2.86Å
11A95.8Very high91.2Very high17 Ų1786.2 Ų86.214%0.1448%0.476CS..Hα-helixtrans-62.7-42.417800000112.5M7 F8 Q9 G15 Y16 L17M7-A11 WeakPolarHBondContact O-CB 3.26Å; M7-A11 PolarHBondContact O-N 3.03Å; F8-A11 PolarHBondContact O-N 3.05Å; Q9-A11 VanDerWaalsContact C-N 3.29Å; Q9-A11 PolarHBondContact O-N 3.05Å; A11-G15 PolarHBondContact O-N 3.17Å; A11-Y16 WeakPolarHBondContact O-CB 3.4Å; A11-Y16 PolarHBondContact O-N 2.89Å; A11-L17 HydrophobicContact CB-CD1 3.91Å; A11-L17 HydrophobicContact CB-CG 4.36Å
12A94Very high92Very high21 Ų2182 Ų8217%0.17445%0.454CS..Hα-helixtrans-66.4-44.6175.100000112F8 Q9 H14 G15 N20F8-A12 WeakPolarHBondContact O-CB 3.17Å; F8-A12 PolarHBondContact O-N 3.29Å; Q9-A12 PolarHBondContact O-N 3.36Å; A12-H14 PolarHBondContact O-N 2.81Å; A12-G15 PolarHBondContact O-N 3.22Å; A12-G15 VanDerWaalsContact O-N 3.09Å; A12-N20 HydrophobicContact CB-CB 4.35Å
13D94.3Very high92.2Very high109 Ų10983.4 Ų83.458%0.58345%0.453SS*.Hα-helixtrans-62.7-27.2-179.8-64.8-16.1000112.6Q9 F10Q9-D13 PolarHBondContact NE2-OD1 3.45Å; Q9-D13 WeakPolarHBondContact O-CB 3.14Å; Q9-D13 PolarHBondContact O-N 3.37Å; F10-D13 PolarHBondContact O-N 2.73Å
14H95.4Very high92.1Very high113 Ų11380.9 Ų80.952%0.52345%0.452SS..THydrogen-bonded Turntrans-102.310.6178.5-65.175.2000113.4F10 A12 Y16F10-H14 AromaticContact CD2-CE1 3.49Å; F10-H14 VanDerWaalsContact CD2-CE1 3.49Å; F10-H14 WeakPolarHBondContact CD2-CE1 3.41Å; F10-H14 AromaticContact CD2-ND1 3.71Å; F10-H14 AromaticContact CE2-CE1 3.19Å; F10-H14 WeakPolarHBondContact CE2-CE1 3.24Å; F10-H14 AromaticContact CE2-ND1 3.63Å; F10-H14 AromaticContact CE2-NE2 3.7Å; F10-H14 AromaticContact CG-ND1 3.98Å; F10-H14 AromaticContact CZ-CE1 3.69Å; F10-H14 AromaticContact CZ-ND1 3.81Å; F10-H14 AromaticContact CZ-NE2 3.93Å; F10-H14 PolarHBondContact O-N 3.39Å; F10-H14 VanDerWaalsContact O-N 3.11Å; F10-H14 PolarHBondContact O-ND1 2.86Å; A12-H14 PolarHBondContact O-N 2.81Å; H14-Y16 VanDerWaalsContact C-N 3.33Å; H14-Y16 HydrophobicContact CB-CD2 3.74Å; H14-Y16 HydrophobicContact CB-CE2 3.59Å; H14-Y16 PolarHBondContact O-N 3.48Å
15G92.4Very high91.9Very high64 Ų6481.3 Ų81.366%0.6645%0.454SS*.THydrogen-bonded Turntrans74.813.6173.200000115.9A11 A12 L17A11-G15 PolarHBondContact O-N 3.17Å; A12-G15 PolarHBondContact O-N 3.22Å; A12-G15 VanDerWaalsContact O-N 3.09Å; G15-L17 PolarHBondContact O-N 2.99Å
16Y95.1Very high91.4Very high171 Ų17189 Ų8967%0.67148%0.483SS*.SBendtrans-73.9-17.5171.6-61.7-75.8000112.5A11 H14A11-Y16 WeakPolarHBondContact O-CB 3.4Å; A11-Y16 PolarHBondContact O-N 2.89Å; H14-Y16 VanDerWaalsContact C-N 3.33Å; H14-Y16 HydrophobicContact CB-CD2 3.74Å; H14-Y16 HydrophobicContact CB-CE2 3.59Å; H14-Y16 PolarHBondContact O-N 3.48Å
17L93.8Very high90.8Very high72 Ų7291.9 Ų91.938%0.37750%0.495SS..SBendtrans-143.4149.2177.6-66.8169.8000109.6F8 A11 G15F8-L17 HydrophobicContact CD1-CD1 3.43Å; F8-L17 VanDerWaalsContact CD1-CD1 3.43Å; F8-L17 HydrophobicContact CE1-CD1 3.83Å; A11-L17 HydrophobicContact CB-CD1 3.91Å; A11-L17 HydrophobicContact CB-CG 4.36Å; G15-L17 PolarHBondContact O-N 2.99Å
18E91.9Very high90.2Very high207 Ų20794.3 Ų94.397%0.96751%0.509SS*.SBendtrans-66.9-35.3177-66.4-175.9171.600113
19A92.5Very high89.2Confident55 Ų55101.7 Ų101.746%0.45554%0.542SS..SBendtrans-153.3157.4179.800000111.8P21A19-P21 WeakPolarHBondContact O-CD 3.31Å
20N91.5Very high88.3Confident12 Ų12108.7 Ų108.76%0.06457%0.565CS.*  trans-74.7117.4174.5-177.2-9.5000110A5 F8 Q9 A12 F22 Q23A5-N20 PolarHBondContact O-ND2 3.27Å; A5-N20 VanDerWaalsContact O-ND2 3.16Å; F8-N20 VanDerWaalsContact CB-OD1 3.26Å; F8-N20 WeakPolarHBondContact CB-OD1 3.42Å; Q9-N20 WeakPolarHBondContact CA-ND2 3.39Å; Q9-N20 WeakPolarHBondContact CB-ND2 3.38Å; Q9-N20 PolarHBondContact N-ND2 3.02Å; Q9-N20 PolarHBondContact OE1-ND2 2.8Å; A12-N20 HydrophobicContact CB-CB 4.35Å; N20-F22 PolarHBondContact O-N 3.34Å; N20-F22 WeakPolarHBondContact OD1-CB 3.33Å; N20-F22 PolarHBondContact OD1-N 2.8Å; N20-Q23 WeakPolarHBondContact O-CB 3.17Å; N20-Q23 PolarHBondContact O-N 3.35Å
21P91.8Very high87.3Confident74 Ų74108.1 Ų108.148%0.48158%0.58SS.*THydrogen-bonded Turntrans-62-12.9178.224.9-35.8000114.2F8 A19F8-P21 HydrophobicContact CB-CG 4.24Å; F8-P21 HydrophobicContact CD1-CG 3.42Å; F8-P21 VanDerWaalsContact CD1-CG 3.42Å; F8-P21 HydrophobicContact CD2-CG 4.28Å; F8-P21 HydrophobicContact CE1-CG 3.74Å; F8-P21 HydrophobicContact CG-CG 3.73Å; F8-P21 HydrophobicContact CZ-CG 4.29Å; A19-P21 WeakPolarHBondContact O-CD 3.31Å
22F89.5Confident86.1Confident44 Ų44116.4 Ų116.419%0.19361%0.608CS.*THydrogen-bonded Turntrans-88.2-3.1173.4-69.5-94.5000113.7M1 I4 A5 F8 N20 G24 I25M1-F22 HydrophobicContact CE-CE1 4.3Å; M1-F22 HydrophobicContact SD-CD1 4.5Å; M1-F22 HydrophobicContact SD-CE1 3.77Å; I4-F22 HydrophobicContact CB-CZ 4.32Å; I4-F22 HydrophobicContact CG2-CE2 3.64Å; I4-F22 HydrophobicContact CG2-CZ 3.61Å; A5-F22 HydrophobicContact CB-CB 3.81Å; A5-F22 HydrophobicContact CB-CD1 3.95Å; A5-F22 HydrophobicContact CB-CD2 4.15Å; A5-F22 HydrophobicContact CB-CG 3.68Å; F8-F22 HydrophobicContact CB-CD2 4.22Å; F8-F22 AromaticContact CD2-CD2 3.91Å; F8-F22 HydrophobicContact CD2-CD2 3.91Å; F8-F22 AromaticContact CD2-CE2 3.47Å; F8-F22 HydrophobicContact CD2-CE2 3.47Å; F8-F22 VanDerWaalsContact CD2-CE2 3.47Å; F8-F22 AromaticContact CE2-CE2 3.86Å; F8-F22 HydrophobicContact CE2-CE2 3.86Å; F8-F22 HydrophobicContact CG-CD2 4.25Å; F8-F22 HydrophobicContact CG-CE2 4.23Å; N20-F22 PolarHBondContact O-N 3.34Å; N20-F22 WeakPolarHBondContact OD1-CB 3.33Å; N20-F22 PolarHBondContact OD1-N 2.8Å; F22-G24 PolarHBondContact O-N 3.12Å; F22-I25 HydrophobicContact CD1-CD1 4.31Å; F22-I25 WeakPolarHBondContact O-CB 3.5Å; F22-I25 PolarHBondContact O-N 2.88Å
23Q85.4Confident85.3Confident152 Ų152120.1 Ų120.171%0.7164%0.639SS**THydrogen-bonded Turntrans-59.7126.6175.5-167.9171.56.300109.8N20 I25N20-Q23 WeakPolarHBondContact O-CB 3.17Å; N20-Q23 PolarHBondContact O-N 3.35Å; Q23-I25 VanDerWaalsContact C-N 3.32Å; Q23-I25 PolarHBondContact O-N 3.39Å
24G84.6Confident84.8Confident76 Ų76123.1 Ų123.178%0.78465%0.649SS**THydrogen-bonded Turntrans87.1-15.5-174.400000115.4F22 K26F22-G24 PolarHBondContact O-N 3.12Å; G24-K26 PolarHBondContact O-N 3.17Å
25I86.2Confident84.4Confident92 Ų92118.4 Ų118.447%0.47263%0.629SS.*  trans-83.399177.7-53.4-176.2000109.9M1 F22 Q23M1-I25 HydrophobicContact CE-CG2 3.87Å; F22-I25 HydrophobicContact CD1-CD1 4.31Å; F22-I25 WeakPolarHBondContact O-CB 3.5Å; F22-I25 PolarHBondContact O-N 2.88Å; Q23-I25 VanDerWaalsContact C-N 3.32Å; Q23-I25 PolarHBondContact O-N 3.39Å
26K79.5Confident84.4Confident185 Ų185117.2 Ų117.280%0.80461%0.607SS**PPolyproline II helixtrans-76.6134.4174.1-68.8178.6-178.1172.80110.3G24 L28G24-K26 PolarHBondContact O-N 3.17Å; K26-L28 PolarHBondContact O-N 2.81Å
27P78.5Confident84.3Confident102 Ų102110.1 Ų110.166%0.66258%0.582SS**PPolyproline II helixtrans-60.5138173.124.1-31.4000110K29P27-K29 PolarHBondContact O-N 3.39Å
28L80.3Confident84.3Confident164 Ų164106.8 Ų106.886%0.85957%0.565SS**PPolyproline II helixtrans-54.1127.4174.6-67.9172.8000109.4K26 R30K26-L28 PolarHBondContact O-N 2.81Å; L28-R30 PolarHBondContact O-N 3.19Å
29K74.6Confident84.4Confident213 Ų213100.4 Ų100.493%0.92654%0.54SS*.  trans-63.7106.7176.7-69-176.2-178.5178.60108.3P27P27-K29 PolarHBondContact O-N 3.39Å
30R73Confident84.5Confident227 Ų227107.7 Ų107.786%0.85756%0.556SS**PPolyproline II helixtrans-84.7131.3163.2-70-175.3177.6-179.4-1.6107.9L28 R32L28-R30 PolarHBondContact O-N 3.19Å; R30-R32 PolarHBondContact O-N 2.89Å
31A73.5Confident84.7Confident100 Ų100111.5 Ų111.583%0.82658%0.576SS**PPolyproline II helixtrans-53.4131.5169.200000108.3A33A31-A33 PolarHBondContact O-N 3.4Å
32R71.4Confident84.9Confident192 Ų192109 Ų10973%0.72556%0.558SS**PPolyproline II helixtrans-66.7131.6173.8-69.2-178.4178.1171.20.9106.7R30 E34R30-R32 PolarHBondContact O-N 2.89Å; R32-E34 PolarHBondContact O-N 3.03Å
33A76.1Confident85.3Confident99 Ų99107.6 Ų107.682%0.81855%0.552SS**PPolyproline II helixtrans-61.1121.7171.700000108.1A31A31-A33 PolarHBondContact O-N 3.4Å
34E84Confident85.8Confident171 Ų171105 Ų10580%0.79954%0.542SS*.PPolyproline II helixtrans-66.2141.8176.4-66.2-176.817200109.5R32R32-E34 PolarHBondContact O-N 3.03Å
35P88.1Confident86.4Confident15 Ų15105.4 Ų105.410%0.09752%0.519CS..PPolyproline II helixtrans-58.5141.6173.2-21.131.1000111.1P37 H199 V230 Y231 W234P35-P37 VanDerWaalsContact C-CD 3.47Å; P35-P37 WeakPolarHBondContact O-CD 3.42Å; P35-H199 HydrophobicContact CB-CB 4Å; P35-V230 HydrophobicContact CG-CG1 3.48Å; P35-V230 VanDerWaalsContact CG-CG1 3.48Å; P35-V230 WeakPolarHBondContact CG-O 3.48Å; P35-Y231 HydrophobicContact CB-CD1 4.08Å; P35-Y231 HydrophobicContact CB-CE1 3.81Å; P35-Y231 HydrophobicContact CG-CD1 3.72Å; P35-Y231 HydrophobicContact CG-CE1 3.63Å; P35-W234 HydrophobicContact CB-CH2 3.49Å; P35-W234 VanDerWaalsContact CB-CH2 3.49Å; P35-W234 HydrophobicContact CB-CZ2 4.45Å; P35-W234 HydrophobicContact CB-CZ3 3.81Å; P35-W234 HydrophobicContact CG-CH2 3.76Å; P35-W234 HydrophobicContact CG-CZ3 3.68Å; P35-W234 VanDerWaalsContact O-CH2 3.31Å; P35-W234 WeakPolarHBondContact O-CH2 3.41Å
36D91.2Very high86.9Confident38 Ų38101 Ų10120%0.20350%0.497CS..  trans-125.869.1-175-176.218.5000108R190 R192 Q196D36-R190 IonicContact OD1-NH2 2.85Å; D36-R190 PolarHBondContact OD1-NH2 3Å; D36-R190 IonicContact OD2-CZ 3.63Å; D36-R190 IonicContact OD2-NH1 3.53Å; D36-R190 PolarHBondContact OD2-NH1 3.37Å; D36-R190 IonicContact OD2-NH2 2.65Å; D36-R190 PolarHBondContact OD2-NH2 3.1Å; D36-R192 PolarHBondContact O-NH1 2.75Å; D36-R192 IonicContact OD1-CZ 3.34Å; D36-R192 IonicContact OD1-NE 3.07Å; D36-R192 IonicContact OD1-NH1 3.86Å; D36-R192 PolarHBondContact OD1-NH1 2.82Å; D36-R192 IonicContact OD1-NH2 3.68Å; D36-R192 WeakPolarHBondContact OD2-CD 3.33Å; D36-R192 WeakPolarHBondContact OD2-CG 3.35Å; D36-R192 IonicContact OD2-CZ 2.72Å; D36-R192 IonicContact OD2-NE 2.81Å; D36-R192 PolarHBondContact OD2-NE 2.87Å; D36-R192 IonicContact OD2-NH1 2.82Å; D36-Q196 PolarHBondContact O-OE1 3.49Å
37P92.9Very high87.8Confident23 Ų2393.2 Ų93.215%0.14946%0.464CS..PPolyproline II helixtrans-67.8147-171.430.9-37.3000111.2P35 R192 C203 W234P35-P37 VanDerWaalsContact C-CD 3.47Å; P35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-R192 PolarHBondContact O-NH1 2.96Å; P37-C203 HydrophobicContact CB-CB 3.72Å; P37-C203 HydrophobicContact CG-CB 3.83Å; P37-W234 HydrophobicContact CG-CZ2 3.98Å
38L94.6Very high88.6Confident2 Ų293.4 Ų93.41%0.0146%0.459CS..PPolyproline II helixtrans-64.5140.4173-63.8171.6000109.9E42 F43 L46 W180 I184 I189 T200 W204L38-E42 HydrophobicContact CB-CB 4.29Å; L38-E42 HydrophobicContact CD2-CB 4.07Å; L38-F43 HydrophobicContact CB-CB 4.48Å; L38-F43 HydrophobicContact CD1-CB 4.49Å; L38-F43 HydrophobicContact CD1-CD2 4.42Å; L38-L46 HydrophobicContact CD1-CD2 3.63Å; L38-W180 HydrophobicContact CD1-CH2 3.63Å; L38-W180 HydrophobicContact CD1-CZ2 4.33Å; L38-W180 HydrophobicContact CD1-CZ3 4.41Å; L38-W180 HydrophobicContact CG-CH2 4.33Å; L38-I184 HydrophobicContact CD2-CD1 4.39Å; L38-I189 HydrophobicContact CD2-CG2 4.44Å; L38-T200 HydrophobicContact CB-CG2 3.98Å; L38-T200 PolarHBondContact N-OG1 3.04Å; L38-W204 WeakPolarHBondContact O-CZ2 3.34Å; L38-W204 PolarHBondContact O-NE1 3.33Å
39T94.1Very high89.4Confident72 Ų7286.5 Ų86.544%0.44243%0.426SS..PPolyproline II helixtrans-70.7165.1163.767.60000110.6D41 E42 F43T39-D41 VanDerWaalsContact C-N 3.28Å; T39-D41 PolarHBondContact O-N 3.39Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.4Å; T39-E42 PolarHBondContact N-OE2 3.44Å; T39-E42 PolarHBondContact O-N 3.07Å; T39-E42 WeakPolarHBondContact OG1-CB 3.46Å; T39-E42 VanDerWaalsContact OG1-CG 3.22Å; T39-E42 WeakPolarHBondContact OG1-CG 3.24Å; T39-E42 PolarHBondContact OG1-N 2.7Å; T39-E42 VanDerWaalsContact OG1-N 3.15Å; T39-E42 PolarHBondContact OG1-OE2 2.9Å; T39-F43 PolarHBondContact O-N 2.85Å
40R93Very high90.4Very high209 Ų20976.6 Ų76.679%0.78938%0.384SS*.Hα-helixtrans-58.4-41.1177-65-177.9-175.1177.32.3111.8F43 I44 W204R40-F43 PolarHBondContact O-N 3.14Å; R40-I44 WeakPolarHBondContact O-CG1 3.29Å; R40-I44 PolarHBondContact O-N 2.83Å; R40-W204 HydrophobicContact CG-CZ2 4.4Å
41D95.8Very high91.2Very high91 Ų9173.6 Ų73.649%0.48737%0.372SS..Hα-helixtrans-64.9-48175.617477.3000112.2T39 F43 I44 R45T39-D41 VanDerWaalsContact C-N 3.28Å; T39-D41 PolarHBondContact O-N 3.39Å; D41-F43 VanDerWaalsContact C-N 3.26Å; D41-F43 PolarHBondContact O-N 2.89Å; D41-I44 PolarHBondContact O-N 3.15Å; D41-R45 PolarHBondContact O-N 3.46Å; D41-R45 IonicContact OD2-CZ 2.56Å; D41-R45 VanDerWaalsContact OD2-CZ 3.29Å; D41-R45 IonicContact OD2-NE 3.11Å; D41-R45 PolarHBondContact OD2-NE 3.37Å; D41-R45 IonicContact OD2-NH2 2.7Å; D41-R45 PolarHBondContact OD2-NH2 3.07Å
42E97Very high92.1Very high22 Ų2272.5 Ų72.510%0.10335%0.35CS..Hα-helixtrans-60.1-38.2177.3-74.2175.5137.300111.6L38 T39 L46 I189 R192L38-E42 HydrophobicContact CB-CB 4.29Å; L38-E42 HydrophobicContact CD2-CB 4.07Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.4Å; T39-E42 PolarHBondContact N-OE2 3.44Å; T39-E42 PolarHBondContact O-N 3.07Å; T39-E42 WeakPolarHBondContact OG1-CB 3.46Å; T39-E42 VanDerWaalsContact OG1-CG 3.22Å; T39-E42 WeakPolarHBondContact OG1-CG 3.24Å; T39-E42 PolarHBondContact OG1-N 2.7Å; T39-E42 VanDerWaalsContact OG1-N 3.15Å; T39-E42 PolarHBondContact OG1-OE2 2.9Å; E42-L46 VanDerWaalsContact O-CB 3.24Å; E42-L46 WeakPolarHBondContact O-CB 3.39Å; E42-L46 PolarHBondContact O-N 3.17Å; E42-I189 HydrophobicContact CB-CD1 4Å; E42-I189 HydrophobicContact CB-CG1 4.36Å; E42-I189 HydrophobicContact CG-CD1 4.45Å; E42-I189 HydrophobicContact CG-CG1 4.26Å; E42-I189 HydrophobicContact CG-CG2 4.27Å; E42-I189 WeakPolarHBondContact O-CD1 3.49Å; E42-R192 IonicContact OE1-CZ 3.82Å; E42-R192 IonicContact OE1-NH2 3.59Å; E42-R192 PolarHBondContact OE1-NH2 2.97Å; E42-R192 IonicContact OE2-CZ 2.9Å; E42-R192 IonicContact OE2-NH1 3.16Å; E42-R192 IonicContact OE2-NH2 2.71Å; E42-R192 PolarHBondContact OE2-NH2 2.85Å
43F97Very high93.2Very high15 Ų1567.3 Ų67.37%0.06633%0.334CS..Hα-helixtrans-62.9-46.2175.7174.7-105.4000112.1L38 T39 R40 D41 L46 I47 V63 Y64 W204L38-F43 HydrophobicContact CB-CB 4.48Å; L38-F43 HydrophobicContact CD1-CB 4.49Å; L38-F43 HydrophobicContact CD1-CD2 4.42Å; T39-F43 PolarHBondContact O-N 2.85Å; R40-F43 PolarHBondContact O-N 3.14Å; D41-F43 VanDerWaalsContact C-N 3.26Å; D41-F43 PolarHBondContact O-N 2.89Å; F43-L46 PolarHBondContact O-N 3.47Å; F43-I47 HydrophobicContact CD2-CG1 4.14Å; F43-I47 HydrophobicContact CE1-CG1 4.2Å; F43-I47 HydrophobicContact CE2-CD1 3.89Å; F43-I47 HydrophobicContact CE2-CG1 3.72Å; F43-I47 HydrophobicContact CZ-CD1 4.23Å; F43-I47 HydrophobicContact CZ-CG1 3.76Å; F43-I47 WeakPolarHBondContact O-CG1 3.43Å; F43-I47 PolarHBondContact O-N 2.96Å; F43-V63 HydrophobicContact CD2-CB 4.24Å; F43-V63 HydrophobicContact CD2-CG1 3.98Å; F43-V63 HydrophobicContact CD2-CG2 4.05Å; F43-V63 HydrophobicContact CE2-CB 3.72Å; F43-V63 HydrophobicContact CE2-CG1 3.8Å; F43-V63 HydrophobicContact CE2-CG2 3.82Å; F43-V63 HydrophobicContact CZ-CG1 4.47Å; F43-Y64 HydrophobicContact CE1-CE1 4.15Å; F43-Y64 AromaticContact CE1-CZ 3.89Å; F43-Y64 WeakPolarHBondContact CE1-OH 3.05Å; F43-Y64 HydrophobicContact CZ-CE1 4.02Å; F43-Y64 HydrophobicContact CZ-CE2 4.37Å; F43-Y64 AromaticContact CZ-CZ 3.76Å; F43-W204 HydrophobicContact CB-CH2 3.57Å; F43-W204 HydrophobicContact CB-CZ2 3.94Å; F43-W204 AromaticContact CD1-CH2 3.79Å; F43-W204 HydrophobicContact CD1-CH2 3.79Å; F43-W204 HydrophobicContact CD1-CZ3 4.33Å; F43-W204 HydrophobicContact CD2-CH2 4.26Å; F43-W204 AromaticContact CG-CH2 3.6Å; F43-W204 HydrophobicContact CG-CH2 3.6Å; F43-W204 HydrophobicContact CG-CZ2 4.41Å; F43-W204 HydrophobicContact CG-CZ3 4.39Å
44I96.9Very high94.1Very high97 Ų9762.7 Ų62.750%0.49730%0.295SS..Hα-helixtrans-59.4-51.4177.6-67165.8000110R40 D41 L46 I47 D48R40-I44 WeakPolarHBondContact O-CG1 3.29Å; R40-I44 PolarHBondContact O-N 2.83Å; D41-I44 PolarHBondContact O-N 3.15Å; I44-L46 VanDerWaalsContact C-N 3.3Å; I44-L46 PolarHBondContact O-N 3.2Å; I44-I47 PolarHBondContact O-N 3.33Å; I44-D48 WeakPolarHBondContact CG2-OD2 3.3Å; I44-D48 PolarHBondContact O-N 3.17Å
45R96.8Very high94.6Very high84 Ų8455.4 Ų55.432%0.31726%0.263SS..Hα-helixtrans-59-39.4178.3-72.5-169.6-74.3131.1-7.7112.9D41 A49 A187 G188 I189D41-R45 PolarHBondContact O-N 3.46Å; D41-R45 IonicContact OD2-CZ 2.56Å; D41-R45 VanDerWaalsContact OD2-CZ 3.29Å; D41-R45 IonicContact OD2-NE 3.11Å; D41-R45 PolarHBondContact OD2-NE 3.37Å; D41-R45 IonicContact OD2-NH2 2.7Å; D41-R45 PolarHBondContact OD2-NH2 3.07Å; R45-A49 VanDerWaalsContact O-CB 3.25Å; R45-A49 WeakPolarHBondContact O-CB 3.29Å; R45-A49 PolarHBondContact O-N 3.02Å; R45-A187 HydrophobicContact CB-CB 4.09Å; R45-A187 PolarHBondContact NH1-O 2.86Å; R45-A187 WeakPolarHBondContact O-CB 3.35Å; R45-G188 PolarHBondContact NH1-O 3.18Å; R45-I189 HydrophobicContact CB-CD1 4.42Å
46L97.2Very high95Very high0 Ų057 Ų570%027%0.268CS..Hα-helixtrans-62.1-47.7176.817667.6000111.8L38 E42 F43 I44 A49 C50 W180 A183 I184 I189L38-L46 HydrophobicContact CD1-CD2 3.63Å; E42-L46 VanDerWaalsContact O-CB 3.24Å; E42-L46 WeakPolarHBondContact O-CB 3.39Å; E42-L46 PolarHBondContact O-N 3.17Å; F43-L46 PolarHBondContact O-N 3.47Å; I44-L46 VanDerWaalsContact C-N 3.3Å; I44-L46 PolarHBondContact O-N 3.2Å; L46-A49 PolarHBondContact O-N 3.46Å; L46-C50 PolarHBondContact O-N 2.9Å; L46-C50 PolarHBondContact O-SG 3.33Å; L46-W180 HydrophobicContact CD2-CD2 4.47Å; L46-W180 HydrophobicContact CD2-CE3 3.78Å; L46-W180 HydrophobicContact CD2-CH2 3.61Å; L46-W180 HydrophobicContact CD2-CZ2 4.26Å; L46-W180 HydrophobicContact CD2-CZ3 3.33Å; L46-A183 HydrophobicContact CD1-CB 3.59Å; L46-I184 HydrophobicContact CD1-CD1 3.74Å; L46-I184 HydrophobicContact CD1-CG1 3.8Å; L46-I184 HydrophobicContact CD2-CD1 4.46Å; L46-I189 HydrophobicContact CB-CD1 3.9Å
47I97.3Very high95.3Very high21 Ų2155.5 Ų55.511%0.10826%0.26CS..Hα-helixtrans-66.3-41.3179.8-62.9-53.1000110.3F43 I44 A49 C50 K56 W59 S60F43-I47 HydrophobicContact CD2-CG1 4.14Å; F43-I47 HydrophobicContact CE1-CG1 4.2Å; F43-I47 HydrophobicContact CE2-CD1 3.89Å; F43-I47 HydrophobicContact CE2-CG1 3.72Å; F43-I47 HydrophobicContact CZ-CD1 4.23Å; F43-I47 HydrophobicContact CZ-CG1 3.76Å; F43-I47 WeakPolarHBondContact O-CG1 3.43Å; F43-I47 PolarHBondContact O-N 2.96Å; I44-I47 PolarHBondContact O-N 3.33Å; I47-A49 VanDerWaalsContact C-N 3.3Å; I47-A49 PolarHBondContact O-N 2.9Å; I47-C50 WeakPolarHBondContact O-CB 3.35Å; I47-C50 PolarHBondContact O-N 2.89Å; I47-C50 VanDerWaalsContact O-N 3.17Å; I47-K56 HydrophobicContact CG2-CB 4Å; I47-K56 HydrophobicContact CG2-CD 4.27Å; I47-K56 HydrophobicContact CG2-CG 4.06Å; I47-K56 VanDerWaalsContact O-CE 3.29Å; I47-K56 WeakPolarHBondContact O-CE 3.27Å; I47-K56 WeakPolarHBondContact O-CG 3.35Å; I47-W59 HydrophobicContact CD1-CB 3.83Å; I47-S60 WeakPolarHBondContact CD1-OG 3.35Å
48D96.8Very high95.5Very high106 Ų10654.6 Ų54.657%0.56725%0.254SS*.Hα-helixtrans-65.3-32.6177.6-71.6-24.5000113I44 C50I44-D48 WeakPolarHBondContact CG2-OD2 3.3Å; I44-D48 PolarHBondContact O-N 3.17Å; D48-C50 PolarHBondContact O-N 2.9Å
49A96.7Very high95.6Very high19 Ų1954.5 Ų54.516%0.15725%0.253CS..THydrogen-bonded Turntrans-72.2-12.2176.400000114.6R45 L46 I47 A183 R186 A187R45-A49 VanDerWaalsContact O-CB 3.25Å; R45-A49 WeakPolarHBondContact O-CB 3.29Å; R45-A49 PolarHBondContact O-N 3.02Å; L46-A49 PolarHBondContact O-N 3.46Å; I47-A49 VanDerWaalsContact C-N 3.3Å; I47-A49 PolarHBondContact O-N 2.9Å; A49-A183 WeakPolarHBondContact CB-O 3.24Å; A49-R186 HydrophobicContact CB-CB 3.86Å; A49-A187 HydrophobicContact CB-CB 3.79Å
50C94.9Very high95.8Very high6 Ų651.5 Ų51.54%0.04124%0.235CC..  trans-75.7123.5176.3-67.80000110.9L46 I47 D48 T55 K56L46-C50 PolarHBondContact O-N 2.9Å; L46-C50 PolarHBondContact O-SG 3.33Å; I47-C50 WeakPolarHBondContact O-CB 3.35Å; I47-C50 PolarHBondContact O-N 2.89Å; I47-C50 VanDerWaalsContact O-N 3.17Å; D48-C50 PolarHBondContact O-N 2.9Å; C50-T55 HydrophobicContact CB-CG2 4.11Å; C50-K56 HydrophobicContact CB-CG 3.61Å; C50-K56 WeakPolarHBondContact O-CE 3.14Å
51R90.9Very high96.1Very high164 Ų16441.5 Ų41.562%0.61920%0.198SC*.SBendtrans-70.5-32.8-174.2-77.8-178.9-177.4-175.73.5115
52H92Very high96.1Very high76 Ų7637.2 Ų37.235%0.35217%0.174SC..SBendtrans-113.8141.1-173.4-57.9-65.1000110Q54 T55 K56 V161H52-Q54 VanDerWaalsContact C-N 3.26Å; H52-Q54 PolarHBondContact O-N 2.89Å; H52-T55 WeakPolarHBondContact O-CB 3.42Å; H52-T55 PolarHBondContact O-N 3.49Å; H52-K56 PolarHBondContact O-N 3.26Å; H52-V161 HydrophobicContact CB-CG1 3.81Å
53Q94.5Very high96.1Very high84 Ų8436.2 Ų36.239%0.39317%0.17SC..Hα-helixtrans-57.9-39.5-179.9-169.859.235.200112T55 K56 N57 N124 M128Q53-T55 VanDerWaalsContact C-N 3.3Å; Q53-T55 PolarHBondContact O-N 3.29Å; Q53-K56 WeakPolarHBondContact O-CB 3.4Å; Q53-K56 PolarHBondContact O-N 2.98Å; Q53-N57 PolarHBondContact NE2-OD1 3Å; Q53-N57 VanDerWaalsContact O-CG 3.29Å; Q53-N57 PolarHBondContact O-N 3.09Å; Q53-N124 WeakPolarHBondContact CG-OD1 3.22Å; Q53-N124 PolarHBondContact NE2-OD1 3.35Å; Q53-M128 HydrophobicContact CB-CE 4.05Å; Q53-M128 HydrophobicContact CB-SD 4.14Å; Q53-M128 HydrophobicContact CG-CE 3.73Å; Q53-M128 HydrophobicContact CG-SD 4.39Å
54Q95.1Very high96.1Very high1 Ų138 Ų381%0.00518%0.177CC..Hα-helixtrans-60-37.9174.5-178.9168.2-116.700112.9H52 N57 L58 M128 F156 N157 V161 Y171H52-Q54 VanDerWaalsContact C-N 3.26Å; H52-Q54 PolarHBondContact O-N 2.89Å; Q54-N57 PolarHBondContact O-N 3.45Å; Q54-L58 VanDerWaalsContact O-CB 3.29Å; Q54-L58 WeakPolarHBondContact O-CB 3.38Å; Q54-L58 PolarHBondContact O-N 3.36Å; Q54-M128 HydrophobicContact CB-SD 4.39Å; Q54-F156 HydrophobicContact CG-CD1 3.96Å; Q54-N157 PolarHBondContact NE2-O 3Å; Q54-N157 PolarHBondContact OE1-O 2.87Å; Q54-V161 HydrophobicContact CB-CG1 4.09Å; Q54-Y171 PolarHBondContact NE2-OH 3.44Å
55T94.5Very high96.1Very high19 Ų1933.4 Ų33.412%0.11715%0.153CC..Hα-helixtrans-70.2-37.5177.4-51.50000111.2C50 H52 Q53 L58 W59C50-T55 HydrophobicContact CB-CG2 4.11Å; H52-T55 WeakPolarHBondContact O-CB 3.42Å; H52-T55 PolarHBondContact O-N 3.49Å; Q53-T55 VanDerWaalsContact C-N 3.3Å; Q53-T55 PolarHBondContact O-N 3.29Å; T55-L58 PolarHBondContact O-N 3.02Å; T55-W59 VanDerWaalsContact O-CD1 3.28Å; T55-W59 PolarHBondContact O-N 3.46Å
56K96.7Very high96Very high49 Ų4929.4 Ų29.421%0.21314%0.138CC..Hα-helixtrans-57.1-54.9170.8-67.3-173.6176.7-163.80110.1I47 C50 H52 Q53 L58 W59 S60I47-K56 HydrophobicContact CG2-CB 4Å; I47-K56 HydrophobicContact CG2-CD 4.27Å; I47-K56 HydrophobicContact CG2-CG 4.06Å; I47-K56 VanDerWaalsContact O-CE 3.29Å; I47-K56 WeakPolarHBondContact O-CE 3.27Å; I47-K56 WeakPolarHBondContact O-CG 3.35Å; C50-K56 HydrophobicContact CB-CG 3.61Å; C50-K56 WeakPolarHBondContact O-CE 3.14Å; H52-K56 PolarHBondContact O-N 3.26Å; Q53-K56 WeakPolarHBondContact O-CB 3.4Å; Q53-K56 PolarHBondContact O-N 2.98Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 2.96Å; K56-W59 PolarHBondContact O-N 2.56Å; K56-S60 WeakPolarHBondContact O-CB 3.2Å; K56-S60 PolarHBondContact O-N 3.04Å; K56-S60 PolarHBondContact O-OG 3.28Å
57N97.2Very high95.9Very high5 Ų529.5 Ų29.53%0.02714%0.138CC..Hα-helixtrans-60.2-39.9-178.6-67.4-14.4000112.6Q53 Q54 L61 V121 N124 Q125 M128 F156Q53-N57 PolarHBondContact NE2-OD1 3Å; Q53-N57 VanDerWaalsContact O-CG 3.29Å; Q53-N57 PolarHBondContact O-N 3.09Å; Q54-N57 PolarHBondContact O-N 3.45Å; N57-L61 VanDerWaalsContact O-CB 3.24Å; N57-L61 WeakPolarHBondContact O-CB 3.4Å; N57-L61 PolarHBondContact O-N 3.44Å; N57-V121 HydrophobicContact CB-CG1 3.74Å; N57-V121 VanDerWaalsContact O-CG1 3.3Å; N57-V121 WeakPolarHBondContact O-CG1 3.37Å; N57-N124 PolarHBondContact ND2-OD1 2.8Å; N57-N124 PolarHBondContact OD1-OD1 3.01Å; N57-Q125 HydrophobicContact CB-CB 4.3Å; N57-Q125 PolarHBondContact ND2-N 3.06Å; N57-Q125 PolarHBondContact ND2-OE1 3.11Å; N57-M128 WeakPolarHBondContact ND2-CE 3.28Å; N57-F156 HydrophobicContact CB-CE1 4.18Å
58L97Very high95.7Very high4 Ų430.5 Ų30.52%0.02114%0.141CC..Hα-helixtrans-59.8-51177.6-173.8156.1000111.6Q54 T55 K56 L61 A62 L72 F156 Y171Q54-L58 VanDerWaalsContact O-CB 3.29Å; Q54-L58 WeakPolarHBondContact O-CB 3.38Å; Q54-L58 PolarHBondContact O-N 3.36Å; T55-L58 PolarHBondContact O-N 3.02Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 2.96Å; L58-L61 PolarHBondContact O-N 2.86Å; L58-A62 WeakPolarHBondContact O-CB 3.42Å; L58-A62 PolarHBondContact O-N 3.42Å; L58-L72 HydrophobicContact CD2-CD2 3.81Å; L58-L72 HydrophobicContact CG-CD2 4.05Å; L58-F156 VanDerWaalsContact CA-CE1 3.44Å; L58-F156 HydrophobicContact CB-CD1 3.87Å; L58-F156 HydrophobicContact CB-CE1 3.71Å; L58-F156 HydrophobicContact CB-CG 4.36Å; L58-F156 HydrophobicContact CB-CZ 4.08Å; L58-F156 HydrophobicContact CD1-CB 4.21Å; L58-F156 HydrophobicContact CD1-CD1 4.25Å; L58-F156 HydrophobicContact CD1-CD2 4.38Å; L58-F156 HydrophobicContact CD1-CG 4.02Å; L58-F156 HydrophobicContact CG-CD1 4.3Å; L58-F156 HydrophobicContact CG-CD2 4.35Å; L58-F156 HydrophobicContact CG-CE1 4.39Å; L58-F156 HydrophobicContact CG-CE2 4.43Å; L58-F156 HydrophobicContact CG-CG 4.29Å; L58-F156 HydrophobicContact CG-CZ 4.45Å; L58-Y171 HydrophobicContact CD1-CE2 4.41Å
59W97.3Very high95.6Very high0 Ų026.5 Ų26.50%012%0.119CC..Hα-helixtrans-73.8-35.6-178.2-70.8120.4000113I47 T55 K56 A62 V63 I176 S179 W180 A194I47-W59 HydrophobicContact CD1-CB 3.83Å; T55-W59 VanDerWaalsContact O-CD1 3.28Å; T55-W59 PolarHBondContact O-N 3.46Å; K56-W59 PolarHBondContact O-N 2.56Å; W59-A62 HydrophobicContact CE3-CB 4.06Å; W59-A62 HydrophobicContact CZ3-CB 4.47Å; W59-A62 PolarHBondContact O-N 2.79Å; W59-V63 WeakPolarHBondContact O-CG2 3.4Å; W59-V63 PolarHBondContact O-N 3.34Å; W59-I176 HydrophobicContact CH2-CD1 4.24Å; W59-I176 HydrophobicContact CH2-CG1 4.22Å; W59-I176 HydrophobicContact CZ2-CB 4.46Å; W59-I176 WeakPolarHBondContact CZ2-O 3.25Å; W59-S179 PolarHBondContact NE1-OG 2.88Å; W59-S179 VanDerWaalsContact NE1-OG 3.14Å; W59-W180 AromaticContact CD2-CE3 3.55Å; W59-W180 HydrophobicContact CD2-CE3 3.55Å; W59-W180 HydrophobicContact CD2-CZ3 4.15Å; W59-W180 AromaticContact CE2-CE3 3.97Å; W59-W180 HydrophobicContact CE3-CD2 4.43Å; W59-W180 AromaticContact CE3-CE3 3.33Å; W59-W180 HydrophobicContact CE3-CE3 3.33Å; W59-W180 AromaticContact CE3-CZ3 3.67Å; W59-W180 HydrophobicContact CE3-CZ3 3.67Å; W59-W180 HydrophobicContact CG-CE3 4.19Å; W59-W180 HydrophobicContact CH2-CB 3.83Å; W59-W180 HydrophobicContact CH2-CE3 4.1Å; W59-W180 HydrophobicContact CH2-CG 4.46Å; W59-W180 HydrophobicContact CZ2-CB 3.46Å; W59-W180 VanDerWaalsContact CZ2-CB 3.46Å; W59-W180 HydrophobicContact CZ2-CE3 4.27Å; W59-W180 HydrophobicContact CZ2-CG 4.43Å; W59-W180 HydrophobicContact CZ3-CD2 4.36Å; W59-W180 AromaticContact CZ3-CE3 3.62Å; W59-W180 HydrophobicContact CZ3-CE3 3.62Å; W59-W180 HydrophobicContact CZ3-CZ3 4.13Å; W59-A194 HydrophobicContact CH2-CB 3.77Å; W59-A194 HydrophobicContact CZ3-CB 4.24Å
60S97.8Very high95.5Very high9 Ų925.8 Ų25.86%0.06311%0.113CC..Hα-helixtrans-60.5-47.9171.7-610000111I47 K56 A62 V63 Y64I47-S60 WeakPolarHBondContact CD1-OG 3.35Å; K56-S60 WeakPolarHBondContact O-CB 3.2Å; K56-S60 PolarHBondContact O-N 3.04Å; K56-S60 PolarHBondContact O-OG 3.28Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 2.94Å; S60-V63 PolarHBondContact O-N 2.85Å; S60-Y64 WeakPolarHBondContact O-CB 3.37Å; S60-Y64 WeakPolarHBondContact O-CD2 3.46Å; S60-Y64 VanDerWaalsContact O-CG 3.24Å; S60-Y64 PolarHBondContact O-N 2.92Å
61L97.9Very high95.6Very high0 Ų025.7 Ų25.70%011%0.112CC..Hα-helixtrans-63.3-40.3177.8-169.668.7000111.6N57 L58 V63 Y64 T65 L72 L75 A118 V121 L122 F156N57-L61 VanDerWaalsContact O-CB 3.24Å; N57-L61 WeakPolarHBondContact O-CB 3.4Å; N57-L61 PolarHBondContact O-N 3.44Å; L58-L61 PolarHBondContact O-N 2.86Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.32Å; L61-Y64 PolarHBondContact O-N 2.95Å; L61-T65 HydrophobicContact CD1-CG2 3.73Å; L61-T65 HydrophobicContact CG-CG2 4.15Å; L61-T65 WeakPolarHBondContact O-CB 3.4Å; L61-T65 WeakPolarHBondContact O-CG2 3.45Å; L61-T65 PolarHBondContact O-N 3.22Å; L61-T65 PolarHBondContact O-OG1 2.87Å; L61-L72 HydrophobicContact CD2-CD1 3.98Å; L61-L72 HydrophobicContact CG-CD1 4.31Å; L61-L75 HydrophobicContact CD2-CD2 3.88Å; L61-A118 HydrophobicContact CD1-CB 4.27Å; L61-V121 HydrophobicContact CB-CG1 4.22Å; L61-L122 HydrophobicContact CD1-CD1 4.27Å; L61-L122 HydrophobicContact CD1-CD2 4.02Å; L61-L122 HydrophobicContact CD1-CG 3.97Å; L61-L122 HydrophobicContact CD2-CD2 3.71Å; L61-F156 HydrophobicContact CB-CZ 4.25Å; L61-F156 HydrophobicContact CD2-CE2 3.77Å; L61-F156 HydrophobicContact CD2-CZ 3.72Å
62A97.4Very high95.8Very high0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-59-40.7176.900000112.6L58 W59 S60 G66 L72L58-A62 WeakPolarHBondContact O-CB 3.42Å; L58-A62 PolarHBondContact O-N 3.42Å; W59-A62 HydrophobicContact CE3-CB 4.06Å; W59-A62 HydrophobicContact CZ3-CB 4.47Å; W59-A62 PolarHBondContact O-N 2.79Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 2.94Å; A62-G66 WeakPolarHBondContact O-CA 3.44Å; A62-G66 PolarHBondContact O-N 2.91Å; A62-L72 HydrophobicContact CB-CD2 3.7Å
63V97.3Very high96Very high2 Ų214.2 Ų14.21%0.0127%0.066CC..Hα-helixtrans-76.8-34178.5172.70000112.1F43 W59 S60 L61 T200 Y201 W204F43-V63 HydrophobicContact CD2-CB 4.24Å; F43-V63 HydrophobicContact CD2-CG1 3.98Å; F43-V63 HydrophobicContact CD2-CG2 4.05Å; F43-V63 HydrophobicContact CE2-CB 3.72Å; F43-V63 HydrophobicContact CE2-CG1 3.8Å; F43-V63 HydrophobicContact CE2-CG2 3.82Å; F43-V63 HydrophobicContact CZ-CG1 4.47Å; W59-V63 WeakPolarHBondContact O-CG2 3.4Å; W59-V63 PolarHBondContact O-N 3.34Å; S60-V63 PolarHBondContact O-N 2.85Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.32Å; V63-T200 HydrophobicContact CG1-CG2 3.79Å; V63-Y201 WeakPolarHBondContact O-CA 2.84Å; V63-Y201 WeakPolarHBondContact O-CB 3.35Å; V63-Y201 WeakPolarHBondContact O-CD2 3.42Å; V63-W204 HydrophobicContact CG1-CE3 4.26Å; V63-W204 HydrophobicContact CG1-CH2 4.38Å; V63-W204 HydrophobicContact CG1-CZ3 4Å
64Y97.1Very high96Very high52 Ų5210.3 Ų10.320%0.2045%0.048CC..Hα-helixtrans-81.5-17.3-179.3-63.3-37.9000114.9F43 S60 L61 I115 P117 A118 V121 Y201F43-Y64 HydrophobicContact CE1-CE1 4.15Å; F43-Y64 AromaticContact CE1-CZ 3.89Å; F43-Y64 WeakPolarHBondContact CE1-OH 3.05Å; F43-Y64 HydrophobicContact CZ-CE1 4.02Å; F43-Y64 HydrophobicContact CZ-CE2 4.37Å; F43-Y64 AromaticContact CZ-CZ 3.76Å; S60-Y64 WeakPolarHBondContact O-CB 3.37Å; S60-Y64 WeakPolarHBondContact O-CD2 3.46Å; S60-Y64 VanDerWaalsContact O-CG 3.24Å; S60-Y64 PolarHBondContact O-N 2.92Å; L61-Y64 PolarHBondContact O-N 2.95Å; Y64-I115 HydrophobicContact CD1-CD1 3.84Å; Y64-I115 HydrophobicContact CG-CD1 4.08Å; Y64-P117 HydrophobicContact CD2-CB 4.19Å; Y64-P117 HydrophobicContact CE1-CB 4.35Å; Y64-P117 HydrophobicContact CE2-CB 3.74Å; Y64-A118 HydrophobicContact CD2-CB 4.29Å; Y64-A118 HydrophobicContact CG-CB 4.46Å; Y64-V121 HydrophobicContact CD2-CG2 4.39Å; Y64-V121 HydrophobicContact CE2-CG2 4.1Å; Y64-Y201 WeakPolarHBondContact O-CD2 3.37Å; Y64-Y201 WeakPolarHBondContact O-CE2 3.25Å
65T96.5Very high96.1Very high1 Ų110.3 Ų10.31%0.0065%0.048CC..Hα-helixtrans-116.8-19.6-177.761.70000113.4L61 M67 V112 L114L61-T65 HydrophobicContact CD1-CG2 3.73Å; L61-T65 HydrophobicContact CG-CG2 4.15Å; L61-T65 WeakPolarHBondContact O-CB 3.4Å; L61-T65 WeakPolarHBondContact O-CG2 3.45Å; L61-T65 PolarHBondContact O-N 3.22Å; L61-T65 PolarHBondContact O-OG1 2.87Å; T65-M67 PolarHBondContact O-N 3.36Å; T65-M67 WeakPolarHBondContact OG1-CG 3.26Å; T65-M67 PolarHBondContact OG1-N 3.21Å; T65-V112 HydrophobicContact CG2-CG1 4.28Å; T65-L114 HydrophobicContact CG2-CD2 3.74Å
66G95Very high96.2Very high0 Ų09.4 Ų9.40%04%0.042CC..  trans61.520.9-174.900000114A62 R198A62-G66 WeakPolarHBondContact O-CA 3.44Å; A62-G66 PolarHBondContact O-N 2.91Å; G66-R198 VanDerWaalsContact O-CD 3.25Å; G66-R198 WeakPolarHBondContact O-CD 3.28Å; G66-R198 VanDerWaalsContact O-CG 3.25Å; G66-R198 WeakPolarHBondContact O-CG 3.37Å; G66-R198 PolarHBondContact O-NH1 2.86Å
67M94.5Very high96.2Very high1 Ų18.2 Ų8.21%0.0054%0.036CC..  trans-59.3149.5179.4-72.4175.461.100112.3T65 E71 L72 L75 I87 I89T65-M67 PolarHBondContact O-N 3.36Å; T65-M67 WeakPolarHBondContact OG1-CG 3.26Å; T65-M67 PolarHBondContact OG1-N 3.21Å; M67-E71 HydrophobicContact CE-CB 3.9Å; M67-L72 HydrophobicContact CB-CB 4.5Å; M67-L75 HydrophobicContact CE-CD1 4.36Å; M67-L75 HydrophobicContact CE-CD2 4.42Å; M67-I87 HydrophobicContact SD-CD1 4.36Å; M67-I89 HydrophobicContact CE-CD1 3.34Å; M67-I89 HydrophobicContact CG-CD1 4.19Å; M67-I89 HydrophobicContact SD-CD1 3.83Å
68R93.3Very high96.2Very high43 Ų4311.5 Ų11.516%0.1625%0.051CC..  trans-67.7147.8170.8-59.6-176.618095.3-0.2108.5G70 E71 L72 S107 G220R68-G70 VanDerWaalsContact C-N 3.28Å; R68-G70 PolarHBondContact O-N 3.47Å; R68-E71 HydrophobicContact CB-CB 4.41Å; R68-E71 HydrophobicContact CB-CG 3.96Å; R68-E71 WeakPolarHBondContact CB-OE2 3.49Å; R68-E71 IonicContact CZ-OE1 3.37Å; R68-E71 PolarHBondContact N-OE2 3.19Å; R68-E71 IonicContact NH1-OE1 2.7Å; R68-E71 PolarHBondContact NH1-OE1 2.91Å; R68-E71 CarbonylContact O-C 3.49Å; R68-E71 WeakPolarHBondContact O-CA 3.42Å; R68-E71 WeakPolarHBondContact O-CB 3.34Å; R68-E71 PolarHBondContact O-N 3.42Å; R68-L72 PolarHBondContact O-N 3.18Å; R68-S107 PolarHBondContact NH1-OG 3.4Å; R68-G220 PolarHBondContact NH2-O 3.35Å
69H95.1Very high96.1Very high22 Ų2211.6 Ų11.610%0.1025%0.052CC..Hα-helixtrans-57.3-38.6-178-66.4165.9000113.7E71 L72 V73 V173 I176 A194 Y195 S197H69-E71 VanDerWaalsContact C-N 3.34Å; H69-E71 PolarHBondContact O-N 3.05Å; H69-L72 PolarHBondContact O-N 3.38Å; H69-V73 WeakPolarHBondContact O-CG1 3.36Å; H69-V73 WeakPolarHBondContact O-CG2 3.34Å; H69-V73 PolarHBondContact O-N 3.02Å; H69-V173 HydrophobicContact CB-CG1 4.07Å; H69-I176 HydrophobicContact CB-CD1 3.55Å; H69-A194 VanDerWaalsContact CE1-C 3.43Å; H69-A194 PolarHBondContact CE1-O 3.36Å; H69-A194 PolarHBondContact NE2-O 2.69Å; H69-Y195 PolarHBondContact CE1-N 3.19Å; H69-S197 PolarHBondContact NE2-OG 3.39Å
70G94.5Very high96.1Very high4 Ų412.7 Ų12.74%0.0416%0.058CC..Hα-helixtrans-65.8-33.4173.600000113.8R68 S74 N92 Y93R68-G70 VanDerWaalsContact C-N 3.28Å; R68-G70 PolarHBondContact O-N 3.47Å; G70-S74 WeakPolarHBondContact O-CB 3.49Å; G70-S74 PolarHBondContact O-N 3.29Å; G70-S74 PolarHBondContact O-OG 3.07Å; G70-N92 WeakPolarHBondContact CA-OD1 3.31Å; G70-Y93 WeakPolarHBondContact CA-O 3.49Å; G70-Y93 PolarHBondContact O-N 2.76Å
71E95.5Very high96.1Very high3 Ų315.9 Ų15.91%0.0147%0.074CC..Hα-helixtrans-72.1-40.9174.4-59.5164.6166.900110.2M67 R68 H69 S74 L75 I89 N92 R110M67-E71 HydrophobicContact CE-CB 3.9Å; R68-E71 HydrophobicContact CB-CB 4.41Å; R68-E71 HydrophobicContact CB-CG 3.96Å; R68-E71 WeakPolarHBondContact CB-OE2 3.49Å; R68-E71 IonicContact CZ-OE1 3.37Å; R68-E71 PolarHBondContact N-OE2 3.19Å; R68-E71 IonicContact NH1-OE1 2.7Å; R68-E71 PolarHBondContact NH1-OE1 2.91Å; R68-E71 CarbonylContact O-C 3.49Å; R68-E71 WeakPolarHBondContact O-CA 3.42Å; R68-E71 WeakPolarHBondContact O-CB 3.34Å; R68-E71 PolarHBondContact O-N 3.42Å; H69-E71 VanDerWaalsContact C-N 3.34Å; H69-E71 PolarHBondContact O-N 3.05Å; E71-S74 PolarHBondContact O-N 3.32Å; E71-S74 PolarHBondContact O-OG 2.99Å; E71-L75 PolarHBondContact O-N 3.3Å; E71-L75 VanDerWaalsContact O-N 3.15Å; E71-I89 HydrophobicContact CB-CG2 4.03Å; E71-I89 HydrophobicContact CG-CG2 3.74Å; E71-N92 HydrophobicContact CG-CB 4.43Å; E71-R110 VanDerWaalsContact CD-NH2 3.35Å; E71-R110 IonicContact OE1-CZ 3.45Å; E71-R110 IonicContact OE1-NH1 2.82Å; E71-R110 PolarHBondContact OE1-NH1 3.2Å; E71-R110 IonicContact OE1-NH2 3.15Å; E71-R110 PolarHBondContact OE1-NH2 2.82Å; E71-R110 IonicContact OE2-CZ 3.99Å; E71-R110 IonicContact OE2-NH1 3.29Å; E71-R110 IonicContact OE2-NH2 2.95Å; E71-R110 PolarHBondContact OE2-NH2 3.29Å
72L95.8Very high95.9Very high0 Ų018 Ų180%09%0.085CC..Hα-helixtrans-63.2-45.9179.8-174.970.4000112.5L58 L61 A62 M67 R68 H69 S74 L75 F156L58-L72 HydrophobicContact CD2-CD2 3.81Å; L58-L72 HydrophobicContact CG-CD2 4.05Å; L61-L72 HydrophobicContact CD2-CD1 3.98Å; L61-L72 HydrophobicContact CG-CD1 4.31Å; A62-L72 HydrophobicContact CB-CD2 3.7Å; M67-L72 HydrophobicContact CB-CB 4.5Å; R68-L72 PolarHBondContact O-N 3.18Å; H69-L72 PolarHBondContact O-N 3.38Å; L72-S74 VanDerWaalsContact C-N 3.34Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.34Å; L72-L75 PolarHBondContact O-N 2.99Å; L72-F156 HydrophobicContact CD1-CE2 3.82Å; L72-F156 HydrophobicContact CG-CE2 4.24Å
73V95.3Very high95.7Very high0 Ų027.6 Ų27.60%013%0.127CC..Hα-helixtrans-74.2-25.2-179.1-59.20000113.1H69 Y93 I170 V173 I176H69-V73 WeakPolarHBondContact O-CG1 3.36Å; H69-V73 WeakPolarHBondContact O-CG2 3.34Å; H69-V73 PolarHBondContact O-N 3.02Å; V73-Y93 HydrophobicContact CG2-CD1 4.11Å; V73-Y93 HydrophobicContact CG2-CG 4.29Å; V73-I170 HydrophobicContact CB-CG1 4.32Å; V73-I170 HydrophobicContact CG2-CD1 4.34Å; V73-I170 WeakPolarHBondContact O-CD1 3.3Å; V73-I170 VanDerWaalsContact O-CG1 3.27Å; V73-I170 WeakPolarHBondContact O-CG1 3.33Å; V73-V173 HydrophobicContact CG2-CG2 4.04Å; V73-I176 HydrophobicContact CG1-CD1 4.17Å; V73-I176 HydrophobicContact CG1-CG2 3.58Å
74S95.4Very high95.6Very high1 Ų130.5 Ų30.51%0.00715%0.151CC..THydrogen-bonded Turntrans-93.33.7178.459.30000114.2G70 E71 L72 A76 R91G70-S74 WeakPolarHBondContact O-CB 3.49Å; G70-S74 PolarHBondContact O-N 3.29Å; G70-S74 PolarHBondContact O-OG 3.07Å; E71-S74 PolarHBondContact O-N 3.32Å; E71-S74 PolarHBondContact O-OG 2.99Å; L72-S74 VanDerWaalsContact C-N 3.34Å; S74-A76 PolarHBondContact O-N 3.06Å; S74-R91 PolarHBondContact O-NE 3.26Å; S74-R91 PolarHBondContact O-NH2 3.43Å; S74-R91 PolarHBondContact OG-O 2.93Å
75L97Very high95.5Very high2 Ų228.4 Ų28.41%0.0115%0.145CC..  trans-63.7128.2177.3-177.463.1000110.4L61 M67 E71 L72 D79 I80 I87 V155L61-L75 HydrophobicContact CD2-CD2 3.88Å; M67-L75 HydrophobicContact CE-CD1 4.36Å; M67-L75 HydrophobicContact CE-CD2 4.42Å; E71-L75 PolarHBondContact O-N 3.3Å; E71-L75 VanDerWaalsContact O-N 3.15Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.34Å; L72-L75 PolarHBondContact O-N 2.99Å; L75-D79 HydrophobicContact CD1-CB 4.08Å; L75-I80 HydrophobicContact CD1-CD1 4.36Å; L75-I80 HydrophobicContact CD1-CG1 4.2Å; L75-I80 HydrophobicContact CD2-CD1 4.08Å; L75-I80 HydrophobicContact CG-CD1 4.22Å; L75-I87 HydrophobicContact CD1-CG2 3.38Å; L75-I87 HydrophobicContact CD2-CD1 4.22Å; L75-V155 HydrophobicContact CB-CG2 4.44Å; L75-V155 HydrophobicContact CD2-CB 4.32Å; L75-V155 HydrophobicContact CD2-CG1 4.45Å; L75-V155 HydrophobicContact CD2-CG2 4.09Å; L75-V155 HydrophobicContact CG-CB 4.27Å; L75-V155 HydrophobicContact CG-CG2 3.78Å; L75-V155 PolarHBondContact O-N 3.37Å
76A97.2Very high95.6Very high0 Ų029.3 Ų29.30%015%0.151CC..BIsolated β-bridgetrans-117.1156.7176.700000110.9S74 E78 D79 C152 T153S74-A76 PolarHBondContact O-N 3.06Å; A76-E78 VanDerWaalsContact CB-OE2 3.28Å; A76-E78 WeakPolarHBondContact CB-OE2 3.45Å; A76-E78 PolarHBondContact O-N 3.46Å; A76-D79 PolarHBondContact N-OD2 2.9Å; A76-D79 WeakPolarHBondContact O-CB 3.11Å; A76-D79 PolarHBondContact O-N 3.3Å; A76-C152 HydrophobicContact CB-CB 3.89Å; A76-T153 CarbonylContact C-O 3.52Å; A76-T153 VanDerWaalsContact CA-O 3.24Å; A76-T153 WeakPolarHBondContact CA-O 3.37Å
77W97.1Very high95.7Very high24 Ų2429.3 Ų29.39%0.09115%0.151CC..G310 helixtrans-61.6-29.3179.1-72.2109.5000112.5D79 I80 L122 Q125 A126 T129 R130 T153 V155W77-D79 PolarHBondContact O-N 3.09Å; W77-I80 HydrophobicContact CE3-CD1 3.96Å; W77-I80 HydrophobicContact CZ3-CD1 4.06Å; W77-I80 PolarHBondContact O-N 3.32Å; W77-I80 VanDerWaalsContact O-N 3.15Å; W77-L122 VanDerWaalsContact CH2-O 3.31Å; W77-L122 WeakPolarHBondContact CH2-O 3.13Å; W77-Q125 HydrophobicContact CH2-CB 4.13Å; W77-Q125 HydrophobicContact CH2-CG 4.26Å; W77-Q125 HydrophobicContact CZ2-CB 4.31Å; W77-Q125 HydrophobicContact CZ2-CG 4.01Å; W77-A126 HydrophobicContact CH2-CB 3.54Å; W77-A126 VanDerWaalsContact CH2-N 3.34Å; W77-A126 HydrophobicContact CZ2-CB 3.99Å; W77-A126 HydrophobicContact CZ3-CB 3.93Å; W77-T129 WeakPolarHBondContact CZ2-OG1 3.46Å; W77-T129 PolarHBondContact NE1-O 3.02Å; W77-T129 PolarHBondContact NE1-OG1 2.7Å; W77-R130 HydrophobicContact CD2-CB 4.32Å; W77-R130 HydrophobicContact CD2-CG 4.33Å; W77-R130 HydrophobicContact CG-CG 4.38Å; W77-T153 PolarHBondContact N-O 3.15Å; W77-V155 HydrophobicContact CD2-CG2 3.86Å; W77-V155 HydrophobicContact CE3-CG2 4.22Å; W77-V155 HydrophobicContact CG-CG2 4.15Å; W77-V155 HydrophobicContact CH2-CG1 4.13Å; W77-V155 HydrophobicContact CZ2-CB 4.36Å; W77-V155 HydrophobicContact CZ2-CG1 3.91Å; W77-V155 HydrophobicContact CZ2-CG2 4.26Å
78E95.9Very high95.8Very high73 Ų7330.8 Ų30.834%0.34116%0.16SC..G310 helixtrans-64.8-14.9174.9-62.183175.100113.3A76 Q134 T153A76-E78 VanDerWaalsContact CB-OE2 3.28Å; A76-E78 WeakPolarHBondContact CB-OE2 3.45Å; A76-E78 PolarHBondContact O-N 3.46Å; E78-Q134 PolarHBondContact OE1-NE2 3.18Å; E78-T153 WeakPolarHBondContact OE1-CB 3.35Å; E78-T153 PolarHBondContact OE1-N 3.47Å; E78-T153 VanDerWaalsContact OE1-N 3.14Å; E78-T153 PolarHBondContact OE1-OG1 3.29Å; E78-T153 PolarHBondContact OE2-N 3.25Å
79D96.3Very high95.9Very high7 Ų728.9 Ų28.94%0.03715%0.153CC..G310 helixtrans-92-8.3176.5-50-41.5000113.6L75 A76 W77 T88 R90 R91L75-D79 HydrophobicContact CD1-CB 4.08Å; A76-D79 PolarHBondContact N-OD2 2.9Å; A76-D79 WeakPolarHBondContact O-CB 3.11Å; A76-D79 PolarHBondContact O-N 3.3Å; W77-D79 PolarHBondContact O-N 3.09Å; D79-T88 WeakPolarHBondContact CB-O 3.48Å; D79-T88 PolarHBondContact O-N 3.25Å; D79-R90 WeakPolarHBondContact OD1-CD 3.42Å; D79-R90 IonicContact OD1-NE 3.53Å; D79-R91 IonicContact OD1-CZ 3.47Å; D79-R91 IonicContact OD1-NH1 2.8Å; D79-R91 PolarHBondContact OD1-NH1 3.03Å; D79-R91 IonicContact OD1-NH2 3.53Å; D79-R91 PolarHBondContact OD1-NH2 3.35Å; D79-R91 VanDerWaalsContact OD1-NH2 3.11Å; D79-R91 IonicContact OD2-CZ 2.66Å; D79-R91 IonicContact OD2-NH1 2.88Å; D79-R91 IonicContact OD2-NH2 3.26Å; D79-R91 PolarHBondContact OD2-NH2 3.27Å
80I97.3Very high95.8Very high22 Ų2232.8 Ų32.811%0.11317%0.167CC..EExtended strand (participates in β ladder)trans-109.8122-168.1-56.8178.2000110.1L75 W77 L82 I87 L122 V155L75-I80 HydrophobicContact CD1-CD1 4.36Å; L75-I80 HydrophobicContact CD1-CG1 4.2Å; L75-I80 HydrophobicContact CD2-CD1 4.08Å; L75-I80 HydrophobicContact CG-CD1 4.22Å; W77-I80 HydrophobicContact CE3-CD1 3.96Å; W77-I80 HydrophobicContact CZ3-CD1 4.06Å; W77-I80 PolarHBondContact O-N 3.32Å; W77-I80 VanDerWaalsContact O-N 3.15Å; I80-L82 HydrophobicContact CG2-CD2 3.74Å; I80-L82 HydrophobicContact CG2-CG 3.88Å; I80-I87 HydrophobicContact CG1-CG1 4.15Å; I80-I87 HydrophobicContact CG1-CG2 4.34Å; I80-I87 HydrophobicContact CG2-CG1 4.47Å; I80-L122 HydrophobicContact CD1-CD1 4.33Å; I80-L122 HydrophobicContact CD1-CD2 3.88Å; I80-L122 HydrophobicContact CG2-CD1 4.05Å; I80-V155 HydrophobicContact CD1-CG2 3.62Å
81D96.3Very high95.8Very high77 Ų7732.9 Ų32.941%0.41217%0.166SC..EExtended strand (participates in β ladder)trans-103.797.2166.1-172.5-19.9000109.3K83 A84 G85 T86D81-K83 PolarHBondContact O-N 3.31Å; D81-K83 WeakPolarHBondContact OD1-CA 3.22Å; D81-K83 WeakPolarHBondContact OD1-CB 3.36Å; D81-K83 PolarHBondContact OD1-N 3.35Å; D81-A84 HydrophobicContact CB-CB 4.05Å; D81-A84 VanDerWaalsContact CG-CB 3.5Å; D81-A84 PolarHBondContact OD1-N 2.68Å; D81-A84 WeakPolarHBondContact OD2-CB 3.48Å; D81-G85 WeakPolarHBondContact O-CA 3.38Å; D81-G85 PolarHBondContact O-N 3.14Å; D81-T86 PolarHBondContact N-O 3.32Å; D81-T86 PolarHBondContact O-N 2.7Å
82L94.1Very high95.8Very high44 Ų4434.1 Ų34.123%0.2317%0.173CC..THydrogen-bonded Turntrans-69.1-18178.2-69176.3000113.3I80 L122I80-L82 HydrophobicContact CG2-CD2 3.74Å; I80-L82 HydrophobicContact CG2-CG 3.88Å; L82-L122 HydrophobicContact CD2-CB 3.78Å; L82-L122 HydrophobicContact CD2-CD1 3.95Å
83K93.4Very high95.7Very high202 Ų20234.8 Ų34.888%0.87818%0.175SC*.THydrogen-bonded Turntrans-81.9-46177.9-175.3-177.4178.9-176.70110.2D81D81-K83 PolarHBondContact O-N 3.31Å; D81-K83 WeakPolarHBondContact OD1-CA 3.22Å; D81-K83 WeakPolarHBondContact OD1-CB 3.36Å; D81-K83 PolarHBondContact OD1-N 3.35Å
84A94.9Very high95.6Very high63 Ų6336.1 Ų36.152%0.52118%0.183SC..THydrogen-bonded Turntrans-74-18.1172.800000112.7D81 T86D81-A84 HydrophobicContact CB-CB 4.05Å; D81-A84 VanDerWaalsContact CG-CB 3.5Å; D81-A84 PolarHBondContact OD1-N 2.68Å; D81-A84 WeakPolarHBondContact OD2-CB 3.48Å; A84-T86 HydrophobicContact CB-CG2 4.22Å
85G96.1Very high95.4Very high8 Ų843.2 Ų43.28%0.08221%0.214CC..THydrogen-bonded Turntrans70.344.3-175.900000111.6D81 L114D81-G85 WeakPolarHBondContact O-CA 3.38Å; D81-G85 PolarHBondContact O-N 3.14Å; G85-L114 VanDerWaalsContact O-CB 3.31Å; G85-L114 WeakPolarHBondContact O-CB 3.5Å; G85-L114 WeakPolarHBondContact O-CG 3.19Å; G85-L114 PolarHBondContact O-N 2.79Å
86T97.3Very high95Very high20 Ų2050.3 Ų50.312%0.12325%0.251CS..EExtended strand (participates in β ladder)trans-134.5152.9-174.962.90000113.4D81 A84 V111 V112D81-T86 PolarHBondContact N-O 3.32Å; D81-T86 PolarHBondContact O-N 2.7Å; A84-T86 HydrophobicContact CB-CG2 4.22Å; T86-V111 HydrophobicContact CG2-CG1 3.72Å; T86-V112 CarbonylContact C-O 3.53Å; T86-V112 VanDerWaalsContact CA-O 3.27Å; T86-V112 WeakPolarHBondContact CA-O 3.48Å
87I97.5Very high94.7Very high0 Ų051.4 Ų51.40%026%0.263CS..EExtended strand (participates in β ladder)trans-123.7129.3170.1-55.4-176.8000108.8M67 L75 I80 I89 V112 L114 L122M67-I87 HydrophobicContact SD-CD1 4.36Å; L75-I87 HydrophobicContact CD1-CG2 3.38Å; L75-I87 HydrophobicContact CD2-CD1 4.22Å; I80-I87 HydrophobicContact CG1-CG1 4.15Å; I80-I87 HydrophobicContact CG1-CG2 4.34Å; I80-I87 HydrophobicContact CG2-CG1 4.47Å; I87-I89 HydrophobicContact CG2-CD1 3.89Å; I87-V112 HydrophobicContact CB-CB 4.34Å; I87-V112 PolarHBondContact N-O 3.27Å; I87-V112 PolarHBondContact O-N 3.49Å; I87-L114 HydrophobicContact CD1-CD1 4.29Å; I87-L114 HydrophobicContact CD1-CD2 3.72Å; I87-L114 HydrophobicContact CD1-CG 4.45Å; I87-L114 HydrophobicContact CG1-CD1 3.87Å; I87-L114 HydrophobicContact CG1-CD2 3.86Å; I87-L114 HydrophobicContact CG1-CG 4.1Å; I87-L122 HydrophobicContact CD1-CD1 4.14Å
88T96.6Very high94.4Very high31 Ų3154.8 Ų54.819%0.1928%0.28CS..EExtended strand (participates in β ladder)trans-94.5117.3173.7-55.30000110.8D79 R90 N109D79-T88 WeakPolarHBondContact CB-O 3.48Å; D79-T88 PolarHBondContact O-N 3.25Å; T88-R90 HydrophobicContact CG2-CG 3.93Å; T88-R90 PolarHBondContact O-N 2.95Å; T88-R90 VanDerWaalsContact O-N 3.08Å; T88-N109 HydrophobicContact CG2-CB 4.36Å
89I95.2Very high94.3Very high4 Ų452.1 Ų52.12%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-80.898-178.9-51-53.2000110.7M67 E71 I87 P102 N109 R110 V112M67-I89 HydrophobicContact CE-CD1 3.34Å; M67-I89 HydrophobicContact CG-CD1 4.19Å; M67-I89 HydrophobicContact SD-CD1 3.83Å; E71-I89 HydrophobicContact CB-CG2 4.03Å; E71-I89 HydrophobicContact CG-CG2 3.74Å; I87-I89 HydrophobicContact CG2-CD1 3.89Å; I89-P102 HydrophobicContact CG2-CG 3.86Å; I89-N109 WeakPolarHBondContact O-CA 3.46Å; I89-N109 PolarHBondContact O-N 3.49Å; I89-R110 HydrophobicContact CB-CG 3.96Å; I89-R110 HydrophobicContact CG1-CG 3.84Å; I89-R110 PolarHBondContact N-O 3.2Å; I89-V112 HydrophobicContact CD1-CG2 4Å; I89-V112 HydrophobicContact CG1-CG2 3.81Å
90R93.6Very high94.2Very high103 Ų10353.3 Ų53.339%0.38927%0.274SS..  trans-97.1-28.5-177-61.9-168.5179.5-166.20.3114.5D79 T88D79-R90 WeakPolarHBondContact OD1-CD 3.42Å; D79-R90 IonicContact OD1-NE 3.53Å; T88-R90 HydrophobicContact CG2-CG 3.93Å; T88-R90 PolarHBondContact O-N 2.95Å; T88-R90 VanDerWaalsContact O-N 3.08Å
91R94.3Very high93.9Very high6 Ų653.6 Ų53.62%0.02328%0.276CS..  trans-135.5157.6-167.5-64.7175.5-64.6-74.1-13.2111.6S74 D79 V139 H150 C152S74-R91 PolarHBondContact O-NE 3.26Å; S74-R91 PolarHBondContact O-NH2 3.43Å; S74-R91 PolarHBondContact OG-O 2.93Å; D79-R91 IonicContact OD1-CZ 3.47Å; D79-R91 IonicContact OD1-NH1 2.8Å; D79-R91 PolarHBondContact OD1-NH1 3.03Å; D79-R91 IonicContact OD1-NH2 3.53Å; D79-R91 PolarHBondContact OD1-NH2 3.35Å; D79-R91 VanDerWaalsContact OD1-NH2 3.11Å; D79-R91 IonicContact OD2-CZ 2.66Å; D79-R91 IonicContact OD2-NH1 2.88Å; D79-R91 IonicContact OD2-NH2 3.26Å; D79-R91 PolarHBondContact OD2-NH2 3.27Å; R91-V139 HydrophobicContact CG-CG1 4.34Å; R91-V139 HydrophobicContact CG-CG2 3.87Å; R91-H150 WeakPolarHBondContact CD-ND1 3.42Å; R91-H150 PolarHBondContact NH1-ND1 2.65Å; R91-C152 VanDerWaalsContact CZ-SG 3.52Å; R91-C152 PolarHBondContact NE-SG 2.85Å; R91-C152 VanDerWaalsContact NE-SG 3.44Å
92N94.5Very high93.3Very high30 Ų3050 Ų5016%0.1626%0.257CS..EExtended strand (participates in β ladder)trans-136.7127.5167.7171.280.6000108.7G70 E71 T100G70-N92 WeakPolarHBondContact CA-OD1 3.31Å; E71-N92 HydrophobicContact CG-CB 4.43Å; N92-T100 PolarHBondContact N-O 2.96Å; N92-T100 PolarHBondContact O-N 3.3Å; N92-T100 PolarHBondContact O-OG1 3.05Å
93Y95Very high92.4Very high13 Ų1356.8 Ų56.85%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-83.4130.6169.4-160.5-124.8000109.6G70 V73 G97 E98 F99 I170 K172 V173G70-Y93 WeakPolarHBondContact CA-O 3.49Å; G70-Y93 PolarHBondContact O-N 2.76Å; V73-Y93 HydrophobicContact CG2-CD1 4.11Å; V73-Y93 HydrophobicContact CG2-CG 4.29Å; Y93-G97 WeakPolarHBondContact CE2-O 3.45Å; Y93-G97 VanDerWaalsContact CZ-CA 3.48Å; Y93-G97 VanDerWaalsContact OH-CA 3.22Å; Y93-G97 WeakPolarHBondContact OH-CA 3.44Å; Y93-G97 PolarHBondContact OH-O 3.37Å; Y93-G97 VanDerWaalsContact OH-O 3.09Å; Y93-E98 CarbonylContact C-O 3.59Å; Y93-E98 WeakPolarHBondContact CA-O 3.46Å; Y93-E98 WeakPolarHBondContact CD2-O 3.46Å; Y93-F99 AromaticContact CD2-CD1 3.93Å; Y93-F99 HydrophobicContact CD2-CD1 3.93Å; Y93-F99 AromaticContact CD2-CD2 3.85Å; Y93-F99 HydrophobicContact CD2-CD2 3.85Å; Y93-F99 AromaticContact CD2-CE1 3.78Å; Y93-F99 HydrophobicContact CD2-CE1 3.78Å; Y93-F99 AromaticContact CD2-CE2 3.7Å; Y93-F99 HydrophobicContact CD2-CE2 3.7Å; Y93-F99 AromaticContact CD2-CG 3.97Å; Y93-F99 HydrophobicContact CD2-CG 3.97Å; Y93-F99 AromaticContact CD2-CZ 3.67Å; Y93-F99 HydrophobicContact CD2-CZ 3.67Å; Y93-F99 AromaticContact CE2-CD2 3.87Å; Y93-F99 HydrophobicContact CE2-CD2 3.87Å; Y93-F99 HydrophobicContact CE2-CE1 4.4Å; Y93-F99 AromaticContact CE2-CE2 3.53Å; Y93-F99 HydrophobicContact CE2-CE2 3.53Å; Y93-F99 HydrophobicContact CE2-CG 4.46Å; Y93-F99 AromaticContact CE2-CZ 3.84Å; Y93-F99 HydrophobicContact CE2-CZ 3.84Å; Y93-I170 HydrophobicContact CD1-CD1 4.29Å; Y93-I170 HydrophobicContact CD2-CD1 4.19Å; Y93-I170 HydrophobicContact CE1-CG2 4.37Å; Y93-I170 HydrophobicContact CG-CD1 4.05Å; Y93-K172 HydrophobicContact CE1-CD 3.87Å; Y93-K172 PolarHBondContact OH-NZ 3.48Å; Y93-V173 HydrophobicContact CD1-CG2 3.73Å; Y93-V173 HydrophobicContact CG-CG2 4.3Å; Y93-V173 WeakPolarHBondContact O-CG2 3.28Å
94T93Very high91.2Very high28 Ų2849.2 Ų49.217%0.17226%0.255CS..  trans-92.8165.9-179.671.40000111.4L96 G97 E98 T100T94-L96 PolarHBondContact O-N 3.07Å; T94-L96 PolarHBondContact OG1-N 3.15Å; T94-G97 PolarHBondContact O-N 3.25Å; T94-G97 VanDerWaalsContact O-N 3.07Å; T94-E98 PolarHBondContact N-O 2.89Å; T94-E98 PolarHBondContact OG1-N 3.43Å; T94-E98 PolarHBondContact OG1-O 2.66Å; T94-T100 HydrophobicContact CG2-CG2 3.59Å
95K90Very high90.2Very high151 Ų15153.3 Ų53.366%0.65726%0.263SS*.THydrogen-bonded Turntrans-63.4-29172.5-63.2-171.8175.8-129.10112.8G97 D174K95-G97 PolarHBondContact O-N 3.34Å; K95-D174 WeakPolarHBondContact CD-OD1 3.23Å; K95-D174 WeakPolarHBondContact CE-OD1 3.29Å; K95-D174 IonicContact NZ-OD1 3.47Å; K95-D174 PolarHBondContact NZ-OD1 3.16Å
96L89.7Confident88.7Confident151 Ų15155.8 Ų55.879%0.79128%0.283SS*.THydrogen-bonded Turntrans-72.6-5.7175.4-60.6176.5000112.6T94 E98T94-L96 PolarHBondContact O-N 3.07Å; T94-L96 PolarHBondContact OG1-N 3.15Å; L96-E98 HydrophobicContact CB-CG 4.5Å
97G90Very high87.6Confident23 Ų2354.8 Ų54.824%0.23728%0.277CS..SBendtrans87.218.5176.500000114.4Y93 T94 K95Y93-G97 WeakPolarHBondContact CE2-O 3.45Å; Y93-G97 VanDerWaalsContact CZ-CA 3.48Å; Y93-G97 VanDerWaalsContact OH-CA 3.22Å; Y93-G97 WeakPolarHBondContact OH-CA 3.44Å; Y93-G97 PolarHBondContact OH-O 3.37Å; Y93-G97 VanDerWaalsContact OH-O 3.09Å; T94-G97 PolarHBondContact O-N 3.25Å; T94-G97 VanDerWaalsContact O-N 3.07Å; K95-G97 PolarHBondContact O-N 3.34Å
98E92Very high86.7Confident95 Ų9556.1 Ų56.144%0.44429%0.285SS..  trans-103.7150.1-178.4-57.9177.6143.900111.2Y93 T94 L96Y93-E98 CarbonylContact C-O 3.59Å; Y93-E98 WeakPolarHBondContact CA-O 3.46Å; Y93-E98 WeakPolarHBondContact CD2-O 3.46Å; T94-E98 PolarHBondContact N-O 2.89Å; T94-E98 PolarHBondContact OG1-N 3.43Å; T94-E98 PolarHBondContact OG1-O 2.66Å; L96-E98 HydrophobicContact CB-CG 4.5Å
99F94.1Very high86.1Confident17 Ų1759.2 Ų59.28%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-92.3122168.2-67.6-95.5000109.1Y93 I137 V139 Q140 F154 F169 I170Y93-F99 AromaticContact CD2-CD1 3.93Å; Y93-F99 HydrophobicContact CD2-CD1 3.93Å; Y93-F99 AromaticContact CD2-CD2 3.85Å; Y93-F99 HydrophobicContact CD2-CD2 3.85Å; Y93-F99 AromaticContact CD2-CE1 3.78Å; Y93-F99 HydrophobicContact CD2-CE1 3.78Å; Y93-F99 AromaticContact CD2-CE2 3.7Å; Y93-F99 HydrophobicContact CD2-CE2 3.7Å; Y93-F99 AromaticContact CD2-CG 3.97Å; Y93-F99 HydrophobicContact CD2-CG 3.97Å; Y93-F99 AromaticContact CD2-CZ 3.67Å; Y93-F99 HydrophobicContact CD2-CZ 3.67Å; Y93-F99 AromaticContact CE2-CD2 3.87Å; Y93-F99 HydrophobicContact CE2-CD2 3.87Å; Y93-F99 HydrophobicContact CE2-CE1 4.4Å; Y93-F99 AromaticContact CE2-CE2 3.53Å; Y93-F99 HydrophobicContact CE2-CE2 3.53Å; Y93-F99 HydrophobicContact CE2-CG 4.46Å; Y93-F99 AromaticContact CE2-CZ 3.84Å; Y93-F99 HydrophobicContact CE2-CZ 3.84Å; F99-I137 HydrophobicContact CB-CG2 3.86Å; F99-I137 HydrophobicContact CD1-CG2 3.74Å; F99-I137 HydrophobicContact CD2-CG2 3.17Å; F99-I137 HydrophobicContact CE1-CG2 4Å; F99-I137 HydrophobicContact CE2-CD1 4.12Å; F99-I137 HydrophobicContact CE2-CG2 3.48Å; F99-I137 VanDerWaalsContact CE2-CG2 3.48Å; F99-I137 HydrophobicContact CG-CG2 3.3Å; F99-I137 HydrophobicContact CZ-CD1 4.28Å; F99-I137 HydrophobicContact CZ-CG2 3.87Å; F99-V139 HydrophobicContact CB-CG2 4.17Å; F99-V139 CarbonylContact O-C 3.59Å; F99-V139 WeakPolarHBondContact O-CA 3.46Å; F99-Q140 PolarHBondContact O-N 3.02Å; F99-F154 AromaticContact CE1-CE1 3.87Å; F99-F154 HydrophobicContact CE1-CE1 3.87Å; F99-F154 AromaticContact CE1-CZ 3.81Å; F99-F154 HydrophobicContact CE1-CZ 3.81Å; F99-F154 HydrophobicContact CZ-CE1 4.13Å; F99-F154 AromaticContact CZ-CZ 3.65Å; F99-F154 HydrophobicContact CZ-CZ 3.65Å; F99-F169 HydrophobicContact CZ-CE2 4.5Å; F99-I170 HydrophobicContact CE1-CD1 3.6Å; F99-I170 HydrophobicContact CZ-CD1 3.48Å; F99-I170 VanDerWaalsContact CZ-CD1 3.48Å
100T93.1Very high86Confident32 Ų3259.9 Ų59.920%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-122.8166.5176.568.10000109.7N92 T94 Q140N92-T100 PolarHBondContact N-O 2.96Å; N92-T100 PolarHBondContact O-N 3.3Å; N92-T100 PolarHBondContact O-OG1 3.05Å; T94-T100 HydrophobicContact CG2-CG2 3.59Å; T100-Q140 HydrophobicContact CG2-CB 4.42Å
101L90.7Very high86Confident28 Ų2857.9 Ų57.915%0.14730%0.302CS..  trans-61.4154.8160.1-65.3178.8000110.7T108 V139 Q140 L141 R142L101-T108 HydrophobicContact CD2-CG2 4.17Å; L101-V139 HydrophobicContact CD2-CG1 4.33Å; L101-Q140 PolarHBondContact N-O 2.82Å; L101-L141 HydrophobicContact CD1-CD2 3.79Å; L101-L141 HydrophobicContact CD2-CD2 4.29Å; L101-L141 HydrophobicContact CG-CD2 4.1Å; L101-R142 HydrophobicContact CD1-CG 4.33Å
102P85Confident86.1Confident2 Ų257.6 Ų57.61%0.01330%0.301CS..  trans-53.3149.5170.5-28.436.4000112.8I89 T104 S107 R142I89-P102 HydrophobicContact CG2-CG 3.86Å; P102-T104 VanDerWaalsContact C-N 3.28Å; P102-T104 PolarHBondContact O-N 3.49Å; P102-T104 VanDerWaalsContact O-N 3.1Å; P102-S107 VanDerWaalsContact CB-CB 3.41Å; P102-R142 PolarHBondContact O-NH2 3.35Å
103K74.1Confident86.2Confident186 Ų18661 Ų6181%0.80932%0.316SS*.SBendtrans-54.9-36.2-167-174.9174.4-179.9176.50115
104T69.5Low86.3Confident42 Ų4261.3 Ų61.326%0.25832%0.318SS..SBendtrans-112.2149.9-179.160.60000110.1P102 A106 S107 T108 R142P102-T104 VanDerWaalsContact C-N 3.28Å; P102-T104 PolarHBondContact O-N 3.49Å; P102-T104 VanDerWaalsContact O-N 3.1Å; T104-A106 VanDerWaalsContact C-N 3.26Å; T104-A106 PolarHBondContact O-N 2.85Å; T104-S107 WeakPolarHBondContact O-CA 3.49Å; T104-S107 VanDerWaalsContact O-CB 3.3Å; T104-S107 WeakPolarHBondContact O-CB 3.31Å; T104-S107 PolarHBondContact O-N 3.15Å; T104-S107 VanDerWaalsContact OG1-CB 3.26Å; T104-S107 WeakPolarHBondContact OG1-CB 3.43Å; T104-S107 PolarHBondContact OG1-N 3.42Å; T104-S107 PolarHBondContact OG1-OG 3.04Å; T104-T108 PolarHBondContact O-N 2.7Å; T104-R142 PolarHBondContact O-NH2 3.34Å
105E73.5Confident86.4Confident149 Ų14964.1 Ų64.170%0.69633%0.331SS*.G310 helixtrans-55.7-45173.8-70.4-177.2169.200111.4S107 T108E105-S107 PolarHBondContact O-N 3.44Å; E105-T108 WeakPolarHBondContact O-CB 3.27Å; E105-T108 PolarHBondContact O-N 2.94Å
106A65.2Low86.7Confident60 Ų6062.7 Ų62.750%0.49633%0.327SS..G310 helixtrans-58.9-19.2172.900000114.4T104T104-A106 VanDerWaalsContact C-N 3.26Å; T104-A106 PolarHBondContact O-N 2.85Å
107S73.2Confident87Confident0 Ų058.2 Ų58.20%031%0.307CS..G310 helixtrans-86.4-21.1175.1-710000113.1R68 P102 T104 E105 R110 G220R68-S107 PolarHBondContact NH1-OG 3.4Å; P102-S107 VanDerWaalsContact CB-CB 3.41Å; T104-S107 WeakPolarHBondContact O-CA 3.49Å; T104-S107 VanDerWaalsContact O-CB 3.3Å; T104-S107 WeakPolarHBondContact O-CB 3.31Å; T104-S107 PolarHBondContact O-N 3.15Å; T104-S107 VanDerWaalsContact OG1-CB 3.26Å; T104-S107 WeakPolarHBondContact OG1-CB 3.43Å; T104-S107 PolarHBondContact OG1-N 3.42Å; T104-S107 PolarHBondContact OG1-OG 3.04Å; E105-S107 PolarHBondContact O-N 3.44Å; S107-R110 PolarHBondContact O-NH1 2.8Å; S107-G220 WeakPolarHBondContact OG-CA 3.36Å; S107-G220 PolarHBondContact OG-O 3.19Å
108T78.2Confident87.3Confident28 Ų2857.1 Ų57.117%0.17230%0.296CS..THydrogen-bonded Turntrans-76.1127.3-177.3-65.50000110L101 T104 E105 R110 R142L101-T108 HydrophobicContact CD2-CG2 4.17Å; T104-T108 PolarHBondContact O-N 2.7Å; E105-T108 WeakPolarHBondContact O-CB 3.27Å; E105-T108 PolarHBondContact O-N 2.94Å; T108-R110 PolarHBondContact O-N 3.37Å; T108-R110 VanDerWaalsContact O-N 3.17Å; T108-R142 PolarHBondContact OG1-NH1 3.49Å; T108-R142 PolarHBondContact OG1-NH2 2.85Å
109N85.3Confident87.6Confident96 Ų9653.4 Ų53.451%0.51328%0.279SS..THydrogen-bonded Turntrans59.421.8-179.6-57.8-27.9000114.1T88 I89T88-N109 HydrophobicContact CG2-CB 4.36Å; I89-N109 WeakPolarHBondContact O-CA 3.46Å; I89-N109 PolarHBondContact O-N 3.49Å
110R92.3Very high87.8Confident18 Ų1855.5 Ų55.57%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-66.2145.7171.376.1178.3-170.9-92.93.4110.1E71 I89 S107 T108 S217 Q218 M219E71-R110 VanDerWaalsContact CD-NH2 3.35Å; E71-R110 IonicContact OE1-CZ 3.45Å; E71-R110 IonicContact OE1-NH1 2.82Å; E71-R110 PolarHBondContact OE1-NH1 3.2Å; E71-R110 IonicContact OE1-NH2 3.15Å; E71-R110 PolarHBondContact OE1-NH2 2.82Å; E71-R110 IonicContact OE2-CZ 3.99Å; E71-R110 IonicContact OE2-NH1 3.29Å; E71-R110 IonicContact OE2-NH2 2.95Å; E71-R110 PolarHBondContact OE2-NH2 3.29Å; I89-R110 HydrophobicContact CB-CG 3.96Å; I89-R110 HydrophobicContact CG1-CG 3.84Å; I89-R110 PolarHBondContact N-O 3.2Å; S107-R110 PolarHBondContact O-NH1 2.8Å; T108-R110 PolarHBondContact O-N 3.37Å; T108-R110 VanDerWaalsContact O-N 3.17Å; R110-S217 WeakPolarHBondContact CD-O 3.45Å; R110-Q218 PolarHBondContact NE-O 3.29Å; R110-M219 PolarHBondContact NH2-O 2.88Å
111V94.1Very high88Confident61 Ų6154.8 Ų54.837%0.3729%0.291SS..EExtended strand (participates in β ladder)trans-98.8119.3178.2-177.50000109.5T86 Q218T86-V111 HydrophobicContact CG2-CG1 3.72Å; V111-Q218 PolarHBondContact O-NE2 3.48Å; V111-Q218 VanDerWaalsContact O-NE2 3.14Å
112V95.9Very high88.3Confident0 Ų053.4 Ų53.40%028%0.284CS..EExtended strand (participates in β ladder)trans-93.8119.9172.4179.80000108.3T65 T86 I87 I89T65-V112 HydrophobicContact CG2-CG1 4.28Å; T86-V112 CarbonylContact C-O 3.53Å; T86-V112 VanDerWaalsContact CA-O 3.27Å; T86-V112 WeakPolarHBondContact CA-O 3.48Å; I87-V112 HydrophobicContact CB-CB 4.34Å; I87-V112 PolarHBondContact N-O 3.27Å; I87-V112 PolarHBondContact O-N 3.49Å; I89-V112 HydrophobicContact CD1-CG2 4Å; I89-V112 HydrophobicContact CG1-CG2 3.81Å
113H96.1Very high88.9Confident100 Ų10058.8 Ų58.846%0.46331%0.307SS..EExtended strand (participates in β ladder)trans-84.3132.2176.2-64.3-76.2000110.1F214 Q218H113-F214 HydrophobicContact CB-CZ 4.42Å; H113-F214 AromaticContact CD2-CE2 3.91Å; H113-Q218 PolarHBondContact CD2-NE2 2.83Å; H113-Q218 VanDerWaalsContact CD2-NE2 3.35Å
114L96.7Very high89.9Confident20 Ų2052.2 Ų52.211%0.10528%0.28CS..PPolyproline II helixtrans-96.7130.1-173.5-60.8175.3000111.3T65 G85 I87 A118 I119 L122T65-L114 HydrophobicContact CG2-CD2 3.74Å; G85-L114 VanDerWaalsContact O-CB 3.31Å; G85-L114 WeakPolarHBondContact O-CB 3.5Å; G85-L114 WeakPolarHBondContact O-CG 3.19Å; G85-L114 PolarHBondContact O-N 2.79Å; I87-L114 HydrophobicContact CD1-CD1 4.29Å; I87-L114 HydrophobicContact CD1-CD2 3.72Å; I87-L114 HydrophobicContact CD1-CG 4.45Å; I87-L114 HydrophobicContact CG1-CD1 3.87Å; I87-L114 HydrophobicContact CG1-CD2 3.86Å; I87-L114 HydrophobicContact CG1-CG 4.1Å; L114-A118 HydrophobicContact CB-CB 4.26Å; L114-A118 HydrophobicContact CD2-CB 3.95Å; L114-I119 HydrophobicContact CB-CD1 4.3Å; L114-I119 HydrophobicContact CB-CG1 3.72Å; L114-I119 HydrophobicContact CD1-CG1 4.14Å; L114-L122 HydrophobicContact CD1-CD1 3.47Å; L114-L122 VanDerWaalsContact CD1-CD1 3.47Å
115I95.6Very high91.2Very high87 Ų8750.2 Ų50.245%0.44627%0.268SS..PPolyproline II helixtrans-72.1156163.960169.5000110.3Y64 P117 A118 I119Y64-I115 HydrophobicContact CD1-CD1 3.84Å; Y64-I115 HydrophobicContact CG-CD1 4.08Å; I115-P117 VanDerWaalsContact C-CD 3.48Å; I115-P117 VanDerWaalsContact C-N 3.32Å; I115-P117 HydrophobicContact CD1-CB 4.34Å; I115-P117 HydrophobicContact CD1-CG 4.18Å; I115-P117 HydrophobicContact CG1-CG 4.48Å; I115-A118 HydrophobicContact CG1-CB 4.03Å; I115-A118 WeakPolarHBondContact O-CA 3.09Å; I115-A118 WeakPolarHBondContact O-CB 3.44Å; I115-A118 PolarHBondContact O-N 2.86Å; I115-I119 PolarHBondContact O-N 3.08Å; I115-I119 VanDerWaalsContact O-N 3.15Å
116Q96.2Very high92.3Very high122 Ų12243.8 Ų43.857%0.5724%0.241SC*.Hα-helixtrans-53.8-38.4-177.8-167.163.120.600114.6A118 I119 S120Q116-A118 VanDerWaalsContact C-N 3.33Å; Q116-A118 PolarHBondContact O-N 2.91Å; Q116-I119 PolarHBondContact O-N 2.91Å; Q116-S120 PolarHBondContact O-N 3.25Å; Q116-S120 PolarHBondContact O-OG 3.15Å
117P96.4Very high93.6Very high57 Ų5748.5 Ų48.537%0.3725%0.253SS..Hα-helixtrans-59.4-39.2171.8-27.536.7000113.8Y64 I115 S120 V121Y64-P117 HydrophobicContact CD2-CB 4.19Å; Y64-P117 HydrophobicContact CE1-CB 4.35Å; Y64-P117 HydrophobicContact CE2-CB 3.74Å; I115-P117 VanDerWaalsContact C-CD 3.48Å; I115-P117 VanDerWaalsContact C-N 3.32Å; I115-P117 HydrophobicContact CD1-CB 4.34Å; I115-P117 HydrophobicContact CD1-CG 4.18Å; I115-P117 HydrophobicContact CG1-CG 4.48Å; P117-S120 PolarHBondContact O-N 2.91Å; P117-V121 WeakPolarHBondContact O-CG2 3.46Å; P117-V121 PolarHBondContact O-N 3.43Å
118A97.4Very high94.6Very high0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-68-39.3178.300000111.8L61 Y64 L114 I115 Q116 S120 V121 L122L61-A118 HydrophobicContact CD1-CB 4.27Å; Y64-A118 HydrophobicContact CD2-CB 4.29Å; Y64-A118 HydrophobicContact CG-CB 4.46Å; L114-A118 HydrophobicContact CB-CB 4.26Å; L114-A118 HydrophobicContact CD2-CB 3.95Å; I115-A118 HydrophobicContact CG1-CB 4.03Å; I115-A118 WeakPolarHBondContact O-CA 3.09Å; I115-A118 WeakPolarHBondContact O-CB 3.44Å; I115-A118 PolarHBondContact O-N 2.86Å; Q116-A118 VanDerWaalsContact C-N 3.33Å; Q116-A118 PolarHBondContact O-N 2.91Å; A118-S120 VanDerWaalsContact C-N 3.3Å; A118-S120 PolarHBondContact O-N 3.24Å; A118-V121 PolarHBondContact O-N 2.82Å; A118-L122 WeakPolarHBondContact O-CG 3.24Å; A118-L122 PolarHBondContact O-N 3.13Å
119I97.5Very high95.4Very high17 Ų1750.5 Ų50.59%0.08726%0.261CS..Hα-helixtrans-60.9-42.6173.5-62.7174.2000110.4L114 I115 Q116 L122 K123L114-I119 HydrophobicContact CB-CD1 4.3Å; L114-I119 HydrophobicContact CB-CG1 3.72Å; L114-I119 HydrophobicContact CD1-CG1 4.14Å; I115-I119 PolarHBondContact O-N 3.08Å; I115-I119 VanDerWaalsContact O-N 3.15Å; Q116-I119 PolarHBondContact O-N 2.91Å; I119-L122 PolarHBondContact O-N 3.49Å; I119-K123 HydrophobicContact CG2-CD 4.36Å; I119-K123 WeakPolarHBondContact O-CG 3.42Å; I119-K123 PolarHBondContact O-N 3.32Å
120S97.3Very high95.7Very high61 Ų6153.1 Ų53.143%0.42726%0.264SS..Hα-helixtrans-64-42.2179.2-54.20000111.8Q116 P117 A118 L122 K123 N124Q116-S120 PolarHBondContact O-N 3.25Å; Q116-S120 PolarHBondContact O-OG 3.15Å; P117-S120 PolarHBondContact O-N 2.91Å; A118-S120 VanDerWaalsContact C-N 3.3Å; A118-S120 PolarHBondContact O-N 3.24Å; S120-L122 PolarHBondContact O-N 3.09Å; S120-K123 PolarHBondContact O-N 2.83Å; S120-N124 PolarHBondContact O-N 3.36Å
121V97.3Very high95.7Very high16 Ų1660.7 Ų60.710%0.09731%0.305CS..Hα-helixtrans-59.9-44.3173.2167.60000111.5N57 L61 Y64 P117 A118 N124 Q125N57-V121 HydrophobicContact CB-CG1 3.74Å; N57-V121 VanDerWaalsContact O-CG1 3.3Å; N57-V121 WeakPolarHBondContact O-CG1 3.37Å; L61-V121 HydrophobicContact CB-CG1 4.22Å; Y64-V121 HydrophobicContact CD2-CG2 4.39Å; Y64-V121 HydrophobicContact CE2-CG2 4.1Å; P117-V121 WeakPolarHBondContact O-CG2 3.46Å; P117-V121 PolarHBondContact O-N 3.43Å; A118-V121 PolarHBondContact O-N 2.82Å; V121-N124 PolarHBondContact O-N 3.03Å; V121-Q125 WeakPolarHBondContact O-CB 3.32Å; V121-Q125 PolarHBondContact O-N 3.19Å
122L97.6Very high95.5Very high0 Ų059.5 Ų59.50%031%0.305CS..Hα-helixtrans-67.7-38.1178-70.9171.5000112.4L61 W77 I80 L82 I87 L114 A118 I119 S120 Q125 A126 V155L61-L122 HydrophobicContact CD1-CD1 4.27Å; L61-L122 HydrophobicContact CD1-CD2 4.02Å; L61-L122 HydrophobicContact CD1-CG 3.97Å; L61-L122 HydrophobicContact CD2-CD2 3.71Å; W77-L122 VanDerWaalsContact CH2-O 3.31Å; W77-L122 WeakPolarHBondContact CH2-O 3.13Å; I80-L122 HydrophobicContact CD1-CD1 4.33Å; I80-L122 HydrophobicContact CD1-CD2 3.88Å; I80-L122 HydrophobicContact CG2-CD1 4.05Å; L82-L122 HydrophobicContact CD2-CB 3.78Å; L82-L122 HydrophobicContact CD2-CD1 3.95Å; I87-L122 HydrophobicContact CD1-CD1 4.14Å; L114-L122 HydrophobicContact CD1-CD1 3.47Å; L114-L122 VanDerWaalsContact CD1-CD1 3.47Å; A118-L122 WeakPolarHBondContact O-CG 3.24Å; A118-L122 PolarHBondContact O-N 3.13Å; I119-L122 PolarHBondContact O-N 3.49Å; S120-L122 PolarHBondContact O-N 3.09Å; L122-Q125 CarbonylContact O-C 3.6Å; L122-Q125 PolarHBondContact O-N 3.18Å; L122-A126 WeakPolarHBondContact O-CB 3.34Å; L122-A126 PolarHBondContact O-N 3.47Å; L122-V155 HydrophobicContact CD2-CG1 4.28Å
123K97Very high95.3Very high115 Ų11567.2 Ų67.250%0.534%0.338SS..Hα-helixtrans-60.6-46.4173.8-74.7179.5178-176.20111.2I119 S120 Q125 A126 E127I119-K123 HydrophobicContact CG2-CD 4.36Å; I119-K123 WeakPolarHBondContact O-CG 3.42Å; I119-K123 PolarHBondContact O-N 3.32Å; S120-K123 PolarHBondContact O-N 2.83Å; K123-Q125 VanDerWaalsContact C-N 3.28Å; K123-Q125 PolarHBondContact O-N 3.33Å; K123-A126 WeakPolarHBondContact O-CB 3.41Å; K123-A126 PolarHBondContact O-N 2.9Å; K123-E127 PolarHBondContact O-N 3.3Å
124N96.3Very high95.2Very high47 Ų4766.2 Ų66.225%0.25133%0.334SS..Hα-helixtrans-63.5-34.6175-178.5-105000112.4Q53 N57 S120 V121 M128Q53-N124 WeakPolarHBondContact CG-OD1 3.22Å; Q53-N124 PolarHBondContact NE2-OD1 3.35Å; N57-N124 PolarHBondContact ND2-OD1 2.8Å; N57-N124 PolarHBondContact OD1-OD1 3.01Å; S120-N124 PolarHBondContact O-N 3.36Å; V121-N124 PolarHBondContact O-N 3.03Å; N124-M128 WeakPolarHBondContact O-CE 3.36Å
125Q97Very high95.1Very high0 Ų066.6 Ų66.60%034%0.335CS..Hα-helixtrans-70.7-34174.8-17257.928.300112.7N57 W77 V121 L122 K123 E127 M128 T129 V155 F156N57-Q125 HydrophobicContact CB-CB 4.3Å; N57-Q125 PolarHBondContact ND2-N 3.06Å; N57-Q125 PolarHBondContact ND2-OE1 3.11Å; W77-Q125 HydrophobicContact CH2-CB 4.13Å; W77-Q125 HydrophobicContact CH2-CG 4.26Å; W77-Q125 HydrophobicContact CZ2-CB 4.31Å; W77-Q125 HydrophobicContact CZ2-CG 4.01Å; V121-Q125 WeakPolarHBondContact O-CB 3.32Å; V121-Q125 PolarHBondContact O-N 3.19Å; L122-Q125 CarbonylContact O-C 3.6Å; L122-Q125 PolarHBondContact O-N 3.18Å; K123-Q125 VanDerWaalsContact C-N 3.28Å; K123-Q125 PolarHBondContact O-N 3.33Å; Q125-E127 VanDerWaalsContact C-N 3.27Å; Q125-E127 PolarHBondContact O-N 2.89Å; Q125-M128 PolarHBondContact O-N 2.85Å; Q125-T129 PolarHBondContact O-N 3.37Å; Q125-T129 PolarHBondContact O-OG1 3.33Å; Q125-V155 HydrophobicContact CG-CG1 3.73Å; Q125-V155 WeakPolarHBondContact CG-O 3.4Å; Q125-V155 PolarHBondContact NE2-O 2.92Å; Q125-F156 HydrophobicContact CG-CD1 4.26Å; Q125-F156 HydrophobicContact CG-CE1 3.92Å
126A95.3Very high95Very high15 Ų1568.8 Ų68.812%0.12434%0.343CS..Hα-helixtrans-61.7-35.8-179.200000112.3W77 L122 K123 M128 T129 R130W77-A126 HydrophobicContact CH2-CB 3.54Å; W77-A126 VanDerWaalsContact CH2-N 3.34Å; W77-A126 HydrophobicContact CZ2-CB 3.99Å; W77-A126 HydrophobicContact CZ3-CB 3.93Å; L122-A126 WeakPolarHBondContact O-CB 3.34Å; L122-A126 PolarHBondContact O-N 3.47Å; K123-A126 WeakPolarHBondContact O-CB 3.41Å; K123-A126 PolarHBondContact O-N 2.9Å; A126-M128 PolarHBondContact O-N 3.12Å; A126-M128 VanDerWaalsContact O-N 3.17Å; A126-T129 PolarHBondContact O-N 3.43Å; A126-R130 HydrophobicContact CB-CB 4Å; A126-R130 WeakPolarHBondContact O-CB 3.2Å; A126-R130 PolarHBondContact O-N 3.05Å
127E94.1Very high94.9Very high159 Ų15963.6 Ų63.674%0.74332%0.319SS*.Hα-helixtrans-56.5-28.5174.2-67169.8-159.900112.6K123 Q125K123-E127 PolarHBondContact O-N 3.3Å; Q125-E127 VanDerWaalsContact C-N 3.27Å; Q125-E127 PolarHBondContact O-N 2.89Å
128M93.5Very high94.8Very high64 Ų6466.6 Ų66.632%0.31533%0.326SS..Hα-helixtrans-94.7-36.4-177.2-68.6179.5-85.500114.1Q53 Q54 N57 N124 Q125 A126Q53-M128 HydrophobicContact CB-CE 4.05Å; Q53-M128 HydrophobicContact CB-SD 4.14Å; Q53-M128 HydrophobicContact CG-CE 3.73Å; Q53-M128 HydrophobicContact CG-SD 4.39Å; Q54-M128 HydrophobicContact CB-SD 4.39Å; N57-M128 WeakPolarHBondContact ND2-CE 3.28Å; N124-M128 WeakPolarHBondContact O-CE 3.36Å; Q125-M128 PolarHBondContact O-N 2.85Å; A126-M128 PolarHBondContact O-N 3.12Å; A126-M128 VanDerWaalsContact O-N 3.17Å
129T94.8Very high94.7Very high5 Ų566.6 Ų66.63%0.03133%0.326CS..Hα-helixtrans-129.2-7.7-167.159.50000115.6W77 Q125 A126 L131 G132 V155 N157 V160W77-T129 WeakPolarHBondContact CZ2-OG1 3.46Å; W77-T129 PolarHBondContact NE1-O 3.02Å; W77-T129 PolarHBondContact NE1-OG1 2.7Å; Q125-T129 PolarHBondContact O-N 3.37Å; Q125-T129 PolarHBondContact O-OG1 3.33Å; A126-T129 PolarHBondContact O-N 3.43Å; T129-L131 VanDerWaalsContact C-N 3.34Å; T129-L131 PolarHBondContact O-N 3.1Å; T129-G132 PolarHBondContact O-N 3.41Å; T129-V155 WeakPolarHBondContact CB-O 3.36Å; T129-V155 WeakPolarHBondContact CG2-O 3.43Å; T129-V155 PolarHBondContact OG1-O 3.38Å; T129-N157 HydrophobicContact CG2-CB 4.3Å; T129-V160 HydrophobicContact CG2-CG2 3.98Å
130R92.2Very high94.4Very high151 Ų15168.8 Ų68.857%0.5734%0.337SS*.THydrogen-bonded Turntrans-65.6-34.9-173.5-173.2173.9-179.2-175.52.1113.8W77 A126 G132W77-R130 HydrophobicContact CD2-CB 4.32Å; W77-R130 HydrophobicContact CD2-CG 4.33Å; W77-R130 HydrophobicContact CG-CG 4.38Å; A126-R130 HydrophobicContact CB-CB 4Å; A126-R130 WeakPolarHBondContact O-CB 3.2Å; A126-R130 PolarHBondContact O-N 3.05Å; R130-G132 VanDerWaalsContact C-N 3.27Å
131L91.6Very high94.1Very high177 Ų17769 Ų6993%0.92733%0.332SS*.THydrogen-bonded Turntrans-93.819.3175.9-58178.6000112.1T129T129-L131 VanDerWaalsContact C-N 3.34Å; T129-L131 PolarHBondContact O-N 3.1Å
132G89.3Confident93.4Very high37 Ų3773.5 Ų73.538%0.38135%0.348SS..SBendtrans-68.4172.6178.500000113T129 R130 Q134T129-G132 PolarHBondContact O-N 3.41Å; R130-G132 VanDerWaalsContact C-N 3.27Å; G132-Q134 PolarHBondContact O-N 3.43Å
133K91.4Very high92.8Very high161 Ų16178.6 Ų78.670%0.737%0.371SS*.PPolyproline II helixtrans-63.3129.9174.8-178173.8-179.2174.10110.3H135K133-H135 PolarHBondContact O-CD2 2.87Å; K133-H135 PolarHBondContact O-NE2 2.72Å
134Q94.4Very high92.1Very high79 Ų7984.5 Ų84.537%0.36939%0.392SS..PPolyproline II helixtrans-78.9136.9170.5-163.1179.954.200110.3E78 G132 E151E78-Q134 PolarHBondContact OE1-NE2 3.18Å; G132-Q134 PolarHBondContact O-N 3.43Å; Q134-E151 HydrophobicContact CG-CB 4.15Å
135H94.3Very high91.5Very high28 Ų2885.4 Ų85.413%0.1341%0.413CS..EExtended strand (participates in β ladder)trans-115.9139.7-178.7-64.8-89.5000110.8K133 I137 C152 F154 F169K133-H135 PolarHBondContact O-CD2 2.87Å; K133-H135 PolarHBondContact O-NE2 2.72Å; H135-I137 HydrophobicContact CB-CD1 3.94Å; H135-I137 HydrophobicContact CB-CG1 4.18Å; H135-C152 PolarHBondContact N-O 2.93Å; H135-C152 PolarHBondContact O-N 3.23Å; H135-F154 HydrophobicContact CB-CE2 4.13Å; H135-F169 AromaticContact CE1-CD1 3.92Å; H135-F169 AromaticContact CE1-CG 3.63Å; H135-F169 AromaticContact ND1-CD1 3.97Å; H135-F169 AromaticContact ND1-CG 3.86Å; H135-F169 AromaticContact NE2-CG 3.94Å
136H94.8Very high91.2Very high134 Ų13492.6 Ų92.662%0.6244%0.44SS*.EExtended strand (participates in β ladder)trans-91.7114.1173-68.167.8000108.9E151H136-E151 IonicContact NE2-OE1 3.51Å
137I94.2Very high91.1Very high12 Ų1294 Ų946%0.06245%0.449CS..EExtended strand (participates in β ladder)trans-118.7124.1-170.8-56.9-63.8000110.1F99 H135 V139 N149 H150 C152 F154 F169F99-I137 HydrophobicContact CB-CG2 3.86Å; F99-I137 HydrophobicContact CD1-CG2 3.74Å; F99-I137 HydrophobicContact CD2-CG2 3.17Å; F99-I137 HydrophobicContact CE1-CG2 4Å; F99-I137 HydrophobicContact CE2-CD1 4.12Å; F99-I137 HydrophobicContact CE2-CG2 3.48Å; F99-I137 VanDerWaalsContact CE2-CG2 3.48Å; F99-I137 HydrophobicContact CG-CG2 3.3Å; F99-I137 HydrophobicContact CZ-CD1 4.28Å; F99-I137 HydrophobicContact CZ-CG2 3.87Å; H135-I137 HydrophobicContact CB-CD1 3.94Å; H135-I137 HydrophobicContact CB-CG1 4.18Å; I137-V139 HydrophobicContact CG2-CG2 4.45Å; I137-V139 PolarHBondContact O-N 3.34Å; I137-N149 WeakPolarHBondContact O-CA 3.35Å; I137-H150 PolarHBondContact N-O 3.38Å; I137-H150 PolarHBondContact O-N 3.33Å; I137-C152 HydrophobicContact CG1-CB 4.13Å; I137-F154 HydrophobicContact CD1-CE2 4.13Å; I137-F154 HydrophobicContact CD1-CZ 4.06Å; I137-F154 HydrophobicContact CG1-CE2 4.21Å; I137-F154 HydrophobicContact CG1-CZ 3.87Å; I137-F169 HydrophobicContact CD1-CE2 3.71Å; I137-F169 HydrophobicContact CD1-CZ 3.77Å
138K94.6Very high91Very high120 Ų12089 Ų8952%0.52243%0.429SS..EExtended strand (participates in β ladder)trans-78.3113.4173.3-170178.6-173.3179.90109.7S147K138-S147 WeakPolarHBondContact CE-OG 3.17Å
139V93.8Very high91.1Very high0 Ų091.4 Ų91.40%044%0.443CS..EExtended strand (participates in β ladder)trans-100.9119.7177.6-174.60000108.9R91 F99 L101 I137 L141 S147 V148 H150R91-V139 HydrophobicContact CG-CG1 4.34Å; R91-V139 HydrophobicContact CG-CG2 3.87Å; F99-V139 HydrophobicContact CB-CG2 4.17Å; F99-V139 CarbonylContact O-C 3.59Å; F99-V139 WeakPolarHBondContact O-CA 3.46Å; L101-V139 HydrophobicContact CD2-CG1 4.33Å; I137-V139 HydrophobicContact CG2-CG2 4.45Å; I137-V139 PolarHBondContact O-N 3.34Å; V139-L141 PolarHBondContact O-N 2.81Å; V139-S147 CarbonylContact O-C 3.59Å; V139-S147 WeakPolarHBondContact O-CA 3.4Å; V139-S147 WeakPolarHBondContact O-CB 3.38Å; V139-V148 HydrophobicContact CB-CG1 4.01Å; V139-V148 PolarHBondContact N-O 2.94Å; V139-V148 PolarHBondContact O-N 3.42Å; V139-H150 HydrophobicContact CG2-CB 4.18Å
140Q92.6Very high91.1Very high64 Ų6492.9 Ų92.930%0.29945%0.45SS..EExtended strand (participates in β ladder)trans-72.1127.1176.9-55.8-65-0.500110.1F99 T100 L101F99-Q140 PolarHBondContact O-N 3.02Å; T100-Q140 HydrophobicContact CG2-CB 4.42Å; L101-Q140 PolarHBondContact N-O 2.82Å
141L89.5Confident91.2Very high64 Ų6490.7 Ų90.734%0.33545%0.446SS..PPolyproline II helixtrans-82.5172.3175.8-60.5179.2000110.1L101 V139 E143 R146 V148L101-L141 HydrophobicContact CD1-CD2 3.79Å; L101-L141 HydrophobicContact CD2-CD2 4.29Å; L101-L141 HydrophobicContact CG-CD2 4.1Å; V139-L141 PolarHBondContact O-N 2.81Å; L141-E143 VanDerWaalsContact C-N 3.29Å; L141-R146 HydrophobicContact CB-CB 4.2Å; L141-R146 WeakPolarHBondContact CB-O 3.2Å; L141-R146 HydrophobicContact CD1-CB 4.11Å; L141-R146 PolarHBondContact N-O 3.28Å; L141-V148 HydrophobicContact CD2-CB 4.39Å; L141-V148 HydrophobicContact CD2-CG1 3.8Å; L141-V148 HydrophobicContact CG-CG1 4.43Å
142R84.1Confident91.4Very high112 Ų11282.3 Ų82.342%0.42340%0.402SS..SBendtrans-68.8-30.7178.6-69.8-176.3178.291.812.5112.8L101 P102 T104 T108L101-R142 HydrophobicContact CD1-CG 4.33Å; P102-R142 PolarHBondContact O-NH2 3.35Å; T104-R142 PolarHBondContact O-NH2 3.34Å; T108-R142 PolarHBondContact OG1-NH1 3.49Å; T108-R142 PolarHBondContact OG1-NH2 2.85Å
143E83.9Confident91.7Very high107 Ų10781.1 Ų81.150%0.539%0.388SS..SBendtrans-74.4129.3177.4-65.9173.4-170.300109.8L141 G145 R146L141-E143 VanDerWaalsContact C-N 3.29Å; E143-G145 PolarHBondContact O-N 3.17Å; E143-R146 HydrophobicContact CB-CB 4.22Å; E143-R146 HydrophobicContact CB-CG 4.09Å; E143-R146 PolarHBondContact O-N 2.87Å; E143-R146 VanDerWaalsContact O-N 3.09Å; E143-R146 WeakPolarHBondContact OE2-CD 3.43Å; E143-R146 IonicContact OE2-CZ 3.77Å; E143-R146 IonicContact OE2-NE 3.84Å; E143-R146 PolarHBondContact OE2-NE 3.34Å; E143-R146 VanDerWaalsContact OE2-NE 3.15Å; E143-R146 IonicContact OE2-NH1 3.19Å; E143-R146 PolarHBondContact OE2-NH1 3.14Å
144Y81.7Confident91.9Very high238 Ų23873.8 Ų73.893%0.93336%0.356SS*.THydrogen-bonded Turntrans-55130.3-176.5-176.3-98.8000111.6R146Y144-R146 PolarHBondContact O-N 2.73Å
145G84.5Confident92Very high67 Ų6770 Ų7069%0.69134%0.338SS*.THydrogen-bonded Turntrans76.4-5.8178.800000115.7E143E143-G145 PolarHBondContact O-N 3.17Å
146R91Very high92.1Very high151 Ų15168.7 Ų68.757%0.5733%0.332SS*.  trans-91.6141.9178.1-62.5-153.1-177.3169.4-11.1112.2L141 E143 Y144L141-R146 HydrophobicContact CB-CB 4.2Å; L141-R146 WeakPolarHBondContact CB-O 3.2Å; L141-R146 HydrophobicContact CD1-CB 4.11Å; L141-R146 PolarHBondContact N-O 3.28Å; E143-R146 HydrophobicContact CB-CB 4.22Å; E143-R146 HydrophobicContact CB-CG 4.09Å; E143-R146 PolarHBondContact O-N 2.87Å; E143-R146 VanDerWaalsContact O-N 3.09Å; E143-R146 WeakPolarHBondContact OE2-CD 3.43Å; E143-R146 IonicContact OE2-CZ 3.77Å; E143-R146 IonicContact OE2-NE 3.84Å; E143-R146 PolarHBondContact OE2-NE 3.34Å; E143-R146 VanDerWaalsContact OE2-NE 3.15Å; E143-R146 IonicContact OE2-NH1 3.19Å; E143-R146 PolarHBondContact OE2-NH1 3.14Å; Y144-R146 PolarHBondContact O-N 2.73Å
147S92.2Very high92Very high44 Ų4463.3 Ų63.331%0.30831%0.308SS..EExtended strand (participates in β ladder)trans-146.5153.1178.562.30000111.2K138 V139K138-S147 WeakPolarHBondContact CE-OG 3.17Å; V139-S147 CarbonylContact O-C 3.59Å; V139-S147 WeakPolarHBondContact O-CA 3.4Å; V139-S147 WeakPolarHBondContact O-CB 3.38Å
148V93.3Very high91.8Very high55 Ų5563.2 Ų63.233%0.33331%0.308SS..EExtended strand (participates in β ladder)trans-120.5145.4172.164.60000109.6V139 L141 H150V139-V148 HydrophobicContact CB-CG1 4.01Å; V139-V148 PolarHBondContact N-O 2.94Å; V139-V148 PolarHBondContact O-N 3.42Å; L141-V148 HydrophobicContact CD2-CB 4.39Å; L141-V148 HydrophobicContact CD2-CG1 3.8Å; L141-V148 HydrophobicContact CG-CG1 4.43Å; V148-H150 WeakPolarHBondContact CG1-NE2 3.35Å
149N94.3Very high91.5Very high114 Ų11461 Ų6161%0.6130%0.3SS*.EExtended strand (participates in β ladder)trans-90.3125.9174.2-71.4-25.2000109.5I137I137-N149 WeakPolarHBondContact O-CA 3.35Å
150H94.6Very high91.1Very high35 Ų3564.6 Ų64.616%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-109.6132.7171.4-71.5-169.6000109.4R91 I137 V139 V148R91-H150 WeakPolarHBondContact CD-ND1 3.42Å; R91-H150 PolarHBondContact NH1-ND1 2.65Å; I137-H150 PolarHBondContact N-O 3.38Å; I137-H150 PolarHBondContact O-N 3.33Å; V139-H150 HydrophobicContact CG2-CB 4.18Å; V148-H150 WeakPolarHBondContact CG1-NE2 3.35Å
151E94.6Very high90.7Very high106 Ų10663.2 Ų63.250%0.49532%0.317SS..EExtended strand (participates in β ladder)trans-79.7123.4164.8-64.9-176.5160.100108.7Q134 H136Q134-E151 HydrophobicContact CG-CB 4.15Å; H136-E151 IonicContact NE2-OE1 3.51Å
152C95.6Very high89.9Confident0 Ų068.2 Ų68.20%033%0.332CS..EExtended strand (participates in β ladder)trans-134.2117.6-170.5-60.90000111.1A76 R91 H135 I137 F154A76-C152 HydrophobicContact CB-CB 3.89Å; R91-C152 VanDerWaalsContact CZ-SG 3.52Å; R91-C152 PolarHBondContact NE-SG 2.85Å; R91-C152 VanDerWaalsContact NE-SG 3.44Å; H135-C152 PolarHBondContact N-O 2.93Å; H135-C152 PolarHBondContact O-N 3.23Å; I137-C152 HydrophobicContact CG1-CB 4.13Å; C152-F154 HydrophobicContact CB-CE1 4.15Å; C152-F154 HydrophobicContact CB-CE2 4.21Å; C152-F154 HydrophobicContact CB-CZ 3.95Å
153T96.1Very high89.1Confident13 Ų1371.6 Ų71.68%0.0835%0.349CS..  trans-98100.3162.9-49.20000107.9A76 W77 E78 V155A76-T153 CarbonylContact C-O 3.52Å; A76-T153 VanDerWaalsContact CA-O 3.24Å; A76-T153 WeakPolarHBondContact CA-O 3.37Å; W77-T153 PolarHBondContact N-O 3.15Å; E78-T153 WeakPolarHBondContact OE1-CB 3.35Å; E78-T153 PolarHBondContact OE1-N 3.47Å; E78-T153 VanDerWaalsContact OE1-N 3.14Å; E78-T153 PolarHBondContact OE1-OG1 3.29Å; E78-T153 PolarHBondContact OE2-N 3.25Å; T153-V155 PolarHBondContact O-N 3.26Å
154F96.4Very high88.7Confident6 Ų669.5 Ų69.53%0.02635%0.346CS..BIsolated β-bridgetrans-65.9132.6-170.4-69.7-70.6000113F99 H135 I137 C152 F169 I170F99-F154 AromaticContact CE1-CE1 3.87Å; F99-F154 HydrophobicContact CE1-CE1 3.87Å; F99-F154 AromaticContact CE1-CZ 3.81Å; F99-F154 HydrophobicContact CE1-CZ 3.81Å; F99-F154 HydrophobicContact CZ-CE1 4.13Å; F99-F154 AromaticContact CZ-CZ 3.65Å; F99-F154 HydrophobicContact CZ-CZ 3.65Å; H135-F154 HydrophobicContact CB-CE2 4.13Å; I137-F154 HydrophobicContact CD1-CE2 4.13Å; I137-F154 HydrophobicContact CD1-CZ 4.06Å; I137-F154 HydrophobicContact CG1-CE2 4.21Å; I137-F154 HydrophobicContact CG1-CZ 3.87Å; C152-F154 HydrophobicContact CB-CE1 4.15Å; C152-F154 HydrophobicContact CB-CE2 4.21Å; C152-F154 HydrophobicContact CB-CZ 3.95Å; F154-F169 AromaticContact CD2-CD2 3.72Å; F154-F169 HydrophobicContact CD2-CD2 3.72Å; F154-F169 HydrophobicContact CD2-CE2 4.25Å; F154-F169 AromaticContact CE2-CD2 3.35Å; F154-F169 HydrophobicContact CE2-CD2 3.35Å; F154-F169 AromaticContact CE2-CE2 3.41Å; F154-F169 HydrophobicContact CE2-CE2 3.41Å; F154-F169 VanDerWaalsContact CE2-CE2 3.41Å; F154-F169 HydrophobicContact CZ-CD2 4.28Å; F154-F169 AromaticContact CZ-CE2 3.99Å; F154-F169 HydrophobicContact CZ-CE2 3.99Å; F154-I170 HydrophobicContact CD1-CD1 4.3Å; F154-I170 HydrophobicContact CE1-CD1 3.87Å; F154-I170 HydrophobicContact CZ-CD1 4.2Å
155V96.7Very high88.2Confident0 Ų067.8 Ų67.80%034%0.344CS..SBendtrans-64.8-42.9178.9175.20000111L75 W77 I80 L122 Q125 T129 T153L75-V155 HydrophobicContact CB-CG2 4.44Å; L75-V155 HydrophobicContact CD2-CB 4.32Å; L75-V155 HydrophobicContact CD2-CG1 4.45Å; L75-V155 HydrophobicContact CD2-CG2 4.09Å; L75-V155 HydrophobicContact CG-CB 4.27Å; L75-V155 HydrophobicContact CG-CG2 3.78Å; L75-V155 PolarHBondContact O-N 3.37Å; W77-V155 HydrophobicContact CD2-CG2 3.86Å; W77-V155 HydrophobicContact CE3-CG2 4.22Å; W77-V155 HydrophobicContact CG-CG2 4.15Å; W77-V155 HydrophobicContact CH2-CG1 4.13Å; W77-V155 HydrophobicContact CZ2-CB 4.36Å; W77-V155 HydrophobicContact CZ2-CG1 3.91Å; W77-V155 HydrophobicContact CZ2-CG2 4.26Å; I80-V155 HydrophobicContact CD1-CG2 3.62Å; L122-V155 HydrophobicContact CD2-CG1 4.28Å; Q125-V155 HydrophobicContact CG-CG1 3.73Å; Q125-V155 WeakPolarHBondContact CG-O 3.4Å; Q125-V155 PolarHBondContact NE2-O 2.92Å; T129-V155 WeakPolarHBondContact CB-O 3.36Å; T129-V155 WeakPolarHBondContact CG2-O 3.43Å; T129-V155 PolarHBondContact OG1-O 3.38Å; T153-V155 PolarHBondContact O-N 3.26Å
156F95.1Very high87.8Confident1 Ų173.1 Ų73.10%0.00435%0.351CS..SBendtrans-112110177.1-57.9-67.7000110.1Q54 N57 L58 L61 L72 Q125 Y171Q54-F156 HydrophobicContact CG-CD1 3.96Å; N57-F156 HydrophobicContact CB-CE1 4.18Å; L58-F156 VanDerWaalsContact CA-CE1 3.44Å; L58-F156 HydrophobicContact CB-CD1 3.87Å; L58-F156 HydrophobicContact CB-CE1 3.71Å; L58-F156 HydrophobicContact CB-CG 4.36Å; L58-F156 HydrophobicContact CB-CZ 4.08Å; L58-F156 HydrophobicContact CD1-CB 4.21Å; L58-F156 HydrophobicContact CD1-CD1 4.25Å; L58-F156 HydrophobicContact CD1-CD2 4.38Å; L58-F156 HydrophobicContact CD1-CG 4.02Å; L58-F156 HydrophobicContact CG-CD1 4.3Å; L58-F156 HydrophobicContact CG-CD2 4.35Å; L58-F156 HydrophobicContact CG-CE1 4.39Å; L58-F156 HydrophobicContact CG-CE2 4.43Å; L58-F156 HydrophobicContact CG-CG 4.29Å; L58-F156 HydrophobicContact CG-CZ 4.45Å; L61-F156 HydrophobicContact CB-CZ 4.25Å; L61-F156 HydrophobicContact CD2-CE2 3.77Å; L61-F156 HydrophobicContact CD2-CZ 3.72Å; L72-F156 HydrophobicContact CD1-CE2 3.82Å; L72-F156 HydrophobicContact CG-CE2 4.24Å; Q125-F156 HydrophobicContact CG-CD1 4.26Å; Q125-F156 HydrophobicContact CG-CE1 3.92Å; F156-Y171 HydrophobicContact CB-CD2 4.14Å; F156-Y171 HydrophobicContact CB-CE2 3.95Å
157N92.6Very high87.4Confident20 Ų2067.9 Ų67.911%0.10734%0.336CS..  trans-116.3113.5-179.2-176.8-13.6000110.1Q54 T129 Q159 V160 F169Q54-N157 PolarHBondContact NE2-O 3Å; Q54-N157 PolarHBondContact OE1-O 2.87Å; T129-N157 HydrophobicContact CG2-CB 4.3Å; N157-Q159 PolarHBondContact ND2-OE1 2.69Å; N157-Q159 PolarHBondContact O-N 2.74Å; N157-Q159 VanDerWaalsContact O-N 3.12Å; N157-Q159 WeakPolarHBondContact OD1-CB 3.48Å; N157-Q159 VanDerWaalsContact OD1-CG 3.26Å; N157-Q159 WeakPolarHBondContact OD1-CG 3.45Å; N157-Q159 PolarHBondContact OD1-N 3.02Å; N157-V160 HydrophobicContact CB-CG2 4.21Å; N157-V160 PolarHBondContact O-N 2.82Å; N157-V160 VanDerWaalsContact O-N 3.14Å; N157-F169 PolarHBondContact OD1-O 3.21Å
158P90.5Very high87.1Confident10 Ų1068 Ų687%0.06534%0.344CS..G310 helixtrans-64.1-16.8-179.330.3-37.7000113.3V160 V161 R162 V167 G168 Y171P158-V160 PolarHBondContact O-N 3.21Å; P158-V161 WeakPolarHBondContact O-CG2 3.39Å; P158-V161 PolarHBondContact O-N 2.79Å; P158-R162 PolarHBondContact O-N 3.36Å; P158-V167 HydrophobicContact CB-CG1 3.58Å; P158-V167 HydrophobicContact CG-CG1 3.71Å; P158-G168 WeakPolarHBondContact CG-O 3.44Å; P158-Y171 HydrophobicContact CB-CD1 3.91Å; P158-Y171 HydrophobicContact CB-CD2 4.17Å; P158-Y171 HydrophobicContact CB-CE1 3.61Å; P158-Y171 HydrophobicContact CB-CE2 3.86Å; P158-Y171 HydrophobicContact CB-CG 4.18Å; P158-Y171 HydrophobicContact CG-CD1 4.48Å; P158-Y171 HydrophobicContact CG-CD2 4.24Å; P158-Y171 HydrophobicContact CG-CE2 4.3Å; P158-Y171 HydrophobicContact CG-CG 4.32Å
159Q88.2Confident86.8Confident75 Ų7568.4 Ų68.435%0.3534%0.341SS..G310 helixtrans-65.3-25.3175.3-60.4178.9-33.200112.9N157 V161 R162 V167 G168N157-Q159 PolarHBondContact ND2-OE1 2.69Å; N157-Q159 PolarHBondContact O-N 2.74Å; N157-Q159 VanDerWaalsContact O-N 3.12Å; N157-Q159 WeakPolarHBondContact OD1-CB 3.48Å; N157-Q159 VanDerWaalsContact OD1-CG 3.26Å; N157-Q159 WeakPolarHBondContact OD1-CG 3.45Å; N157-Q159 PolarHBondContact OD1-N 3.02Å; Q159-V161 VanDerWaalsContact C-N 3.3Å; Q159-V161 PolarHBondContact O-N 3.27Å; Q159-R162 WeakPolarHBondContact O-CB 3.33Å; Q159-R162 WeakPolarHBondContact O-CD 3.45Å; Q159-R162 WeakPolarHBondContact O-CG 3.37Å; Q159-V167 PolarHBondContact NE2-O 3.45Å; Q159-G168 WeakPolarHBondContact CG-O 3.22Å
160V85.7Confident86.7Confident74 Ų7463.6 Ų63.645%0.44832%0.315SS..G310 helixtrans-70.5-28177.3179.50000111.9T129 N157 P158T129-V160 HydrophobicContact CG2-CG2 3.98Å; N157-V160 HydrophobicContact CB-CG2 4.21Å; N157-V160 PolarHBondContact O-N 2.82Å; N157-V160 VanDerWaalsContact O-N 3.14Å; P158-V160 PolarHBondContact O-N 3.21Å
161V84Confident86.5Confident36 Ų3663.5 Ų63.522%0.21831%0.314CS..G310 helixtrans-110.916.2-179.3-63.30000112.2H52 Q54 P158 Q159 K163 Y171H52-V161 HydrophobicContact CB-CG1 3.81Å; Q54-V161 HydrophobicContact CB-CG1 4.09Å; P158-V161 WeakPolarHBondContact O-CG2 3.39Å; P158-V161 PolarHBondContact O-N 2.79Å; Q159-V161 VanDerWaalsContact C-N 3.3Å; Q159-V161 PolarHBondContact O-N 3.27Å; V161-K163 PolarHBondContact O-N 2.92Å; V161-Y171 VanDerWaalsContact CG2-OH 3.31Å; V161-Y171 WeakPolarHBondContact CG2-OH 3.48Å
162R72.6Confident86.3Confident169 Ų16963.9 Ų63.964%0.63831%0.314SS*.  trans-60131.9-170.368.9-173.6176.8177-2.6111.8P158 Q159 V167P158-R162 PolarHBondContact O-N 3.36Å; Q159-R162 WeakPolarHBondContact O-CB 3.33Å; Q159-R162 WeakPolarHBondContact O-CD 3.45Å; Q159-R162 WeakPolarHBondContact O-CG 3.37Å; R162-V167 HydrophobicContact CB-CG2 4.22Å
163K68.2Low86Confident183 Ų18365 Ų6580%0.79632%0.32SS*.SBendtrans-96.4-25.9160.9-67-172.7177.5-174.30112.5V161V161-K163 PolarHBondContact O-N 2.92Å
164S74Confident85.6Confident63 Ų6368.4 Ų68.444%0.44134%0.338SS..SBendtrans-112.2153.4-177.3177.60000110.6Q166 V167S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact OG-N 3.02Å; S164-V167 WeakPolarHBondContact O-CG2 3.32Å
165K73.1Confident85.1Confident202 Ų20270.2 Ų70.288%0.87835%0.351SS*.SBendtrans-71.3-23.7171.8-66.3-175.2179.4-179.70112.4V167K165-V167 PolarHBondContact O-N 3.47Å
166Q76Confident84.8Confident178 Ų17870.2 Ų70.283%0.83235%0.352SS*.  trans-95.664.3-175.5-64.4-66.8-14.700111.3S164S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact OG-N 3.02Å
167V81.8Confident84.7Confident42 Ų4270.8 Ų70.826%0.25536%0.358SS..  trans-123.5124.1179.1-177.60000109.1P158 Q159 R162 S164 K165P158-V167 HydrophobicContact CB-CG1 3.58Å; P158-V167 HydrophobicContact CG-CG1 3.71Å; Q159-V167 PolarHBondContact NE2-O 3.45Å; R162-V167 HydrophobicContact CB-CG2 4.22Å; S164-V167 WeakPolarHBondContact O-CG2 3.32Å; K165-V167 PolarHBondContact O-N 3.47Å
168G85.6Confident84.7Confident47 Ų4774.5 Ų74.549%0.48538%0.377SS..  trans-62.5168.1175.900000112.1P158 Q159 I170P158-G168 WeakPolarHBondContact CG-O 3.44Å; Q159-G168 WeakPolarHBondContact CG-O 3.22Å; G168-I170 PolarHBondContact O-N 2.89Å
169F87.7Confident84.8Confident62 Ų6275.9 Ų75.927%0.27239%0.387SS..SBendtrans-77.9-7.2178.556.9-97.9000113.8F99 H135 I137 F154 N157F99-F169 HydrophobicContact CZ-CE2 4.5Å; H135-F169 AromaticContact CE1-CD1 3.92Å; H135-F169 AromaticContact CE1-CG 3.63Å; H135-F169 AromaticContact ND1-CD1 3.97Å; H135-F169 AromaticContact ND1-CG 3.86Å; H135-F169 AromaticContact NE2-CG 3.94Å; I137-F169 HydrophobicContact CD1-CE2 3.71Å; I137-F169 HydrophobicContact CD1-CZ 3.77Å; F154-F169 AromaticContact CD2-CD2 3.72Å; F154-F169 HydrophobicContact CD2-CD2 3.72Å; F154-F169 HydrophobicContact CD2-CE2 4.25Å; F154-F169 AromaticContact CE2-CD2 3.35Å; F154-F169 HydrophobicContact CE2-CD2 3.35Å; F154-F169 AromaticContact CE2-CE2 3.41Å; F154-F169 HydrophobicContact CE2-CE2 3.41Å; F154-F169 VanDerWaalsContact CE2-CE2 3.41Å; F154-F169 HydrophobicContact CZ-CD2 4.28Å; F154-F169 AromaticContact CZ-CE2 3.99Å; F154-F169 HydrophobicContact CZ-CE2 3.99Å; N157-F169 PolarHBondContact OD1-O 3.21Å
170I91.4Very high85.1Confident13 Ų1372.3 Ų72.37%0.06737%0.371CS..SBendtrans-134.1146.4-179.6-170172.2000110.1V73 Y93 F99 F154 G168V73-I170 HydrophobicContact CB-CG1 4.32Å; V73-I170 HydrophobicContact CG2-CD1 4.34Å; V73-I170 WeakPolarHBondContact O-CD1 3.3Å; V73-I170 VanDerWaalsContact O-CG1 3.27Å; V73-I170 WeakPolarHBondContact O-CG1 3.33Å; Y93-I170 HydrophobicContact CD1-CD1 4.29Å; Y93-I170 HydrophobicContact CD2-CD1 4.19Å; Y93-I170 HydrophobicContact CE1-CG2 4.37Å; Y93-I170 HydrophobicContact CG-CD1 4.05Å; F99-I170 HydrophobicContact CE1-CD1 3.6Å; F99-I170 HydrophobicContact CZ-CD1 3.48Å; F99-I170 VanDerWaalsContact CZ-CD1 3.48Å; F154-I170 HydrophobicContact CD1-CD1 4.3Å; F154-I170 HydrophobicContact CE1-CD1 3.87Å; F154-I170 HydrophobicContact CZ-CD1 4.2Å; G168-I170 PolarHBondContact O-N 2.89Å
171Y91.2Very high85.5Confident34 Ų3473.2 Ų73.213%0.13337%0.37CS..  trans-68134.9170.5-69.6-89.6000110.9Q54 L58 F156 P158 V161 I176Q54-Y171 PolarHBondContact NE2-OH 3.44Å; L58-Y171 HydrophobicContact CD1-CE2 4.41Å; F156-Y171 HydrophobicContact CB-CD2 4.14Å; F156-Y171 HydrophobicContact CB-CE2 3.95Å; P158-Y171 HydrophobicContact CB-CD1 3.91Å; P158-Y171 HydrophobicContact CB-CD2 4.17Å; P158-Y171 HydrophobicContact CB-CE1 3.61Å; P158-Y171 HydrophobicContact CB-CE2 3.86Å; P158-Y171 HydrophobicContact CB-CG 4.18Å; P158-Y171 HydrophobicContact CG-CD1 4.48Å; P158-Y171 HydrophobicContact CG-CD2 4.24Å; P158-Y171 HydrophobicContact CG-CE2 4.3Å; P158-Y171 HydrophobicContact CG-CG 4.32Å; V161-Y171 VanDerWaalsContact CG2-OH 3.31Å; V161-Y171 WeakPolarHBondContact CG2-OH 3.48Å; Y171-I176 HydrophobicContact CD1-CG2 4.3Å; Y171-I176 HydrophobicContact CG-CG2 4.13Å
172K90.4Very high86Confident114 Ų11474.3 Ų74.350%0.49638%0.377SS..  trans-68.9137.3167.8-62.3-62.8-170.2172.30108.9Y93 D174 S175 I176Y93-K172 HydrophobicContact CE1-CD 3.87Å; Y93-K172 PolarHBondContact OH-NZ 3.48Å; K172-D174 PolarHBondContact O-N 3.39Å; K172-S175 PolarHBondContact N-OG 3.1Å; K172-S175 PolarHBondContact O-N 3.46Å; K172-S175 PolarHBondContact O-OG 2.95Å; K172-I176 PolarHBondContact O-N 2.74Å
173V89.3Confident87.1Confident23 Ų2366.3 Ų66.314%0.13935%0.347CS..Hα-helixtrans-55.8-39.6-177.3-175.50000111.9H69 V73 Y93 S175 I176H69-V173 HydrophobicContact CB-CG1 4.07Å; V73-V173 HydrophobicContact CG2-CG2 4.04Å; Y93-V173 HydrophobicContact CD1-CG2 3.73Å; Y93-V173 HydrophobicContact CG-CG2 4.3Å; Y93-V173 WeakPolarHBondContact O-CG2 3.28Å; V173-S175 VanDerWaalsContact C-N 3.32Å; V173-S175 PolarHBondContact O-N 3.34Å; V173-I176 WeakPolarHBondContact O-CG1 3.25Å
174D86.1Confident88.5Confident84 Ų8457.8 Ų57.845%0.44931%0.31SS..Hα-helixtrans-73.2-25.6180-66.8-42.4000112.6K95 K172K95-D174 WeakPolarHBondContact CD-OD1 3.23Å; K95-D174 WeakPolarHBondContact CE-OD1 3.29Å; K95-D174 IonicContact NZ-OD1 3.47Å; K95-D174 PolarHBondContact NZ-OD1 3.16Å; K172-D174 PolarHBondContact O-N 3.39Å
175S87.1Confident89.6Confident44 Ų4463.4 Ų63.431%0.30833%0.327SS..Hα-helixtrans-79.5-22.2-178.669.80000114.6K172 V173 G177 D178K172-S175 PolarHBondContact N-OG 3.1Å; K172-S175 PolarHBondContact O-N 3.46Å; K172-S175 PolarHBondContact O-OG 2.95Å; V173-S175 VanDerWaalsContact C-N 3.32Å; V173-S175 PolarHBondContact O-N 3.34Å; S175-G177 PolarHBondContact O-N 2.94Å; S175-D178 PolarHBondContact O-N 2.65Å
176I90.8Very high90.7Very high1 Ų159.4 Ų59.41%0.00531%0.306CS..Hα-helixtrans-65.4-32-17973.1176.8000110.8W59 H69 V73 Y171 K172 V173 D178 S179 W180W59-I176 HydrophobicContact CH2-CD1 4.24Å; W59-I176 HydrophobicContact CH2-CG1 4.22Å; W59-I176 HydrophobicContact CZ2-CB 4.46Å; W59-I176 WeakPolarHBondContact CZ2-O 3.25Å; H69-I176 HydrophobicContact CB-CD1 3.55Å; V73-I176 HydrophobicContact CG1-CD1 4.17Å; V73-I176 HydrophobicContact CG1-CG2 3.58Å; Y171-I176 HydrophobicContact CD1-CG2 4.3Å; Y171-I176 HydrophobicContact CG-CG2 4.13Å; K172-I176 PolarHBondContact O-N 2.74Å; V173-I176 WeakPolarHBondContact O-CG1 3.25Å; I176-D178 PolarHBondContact O-N 2.97Å; I176-S179 WeakPolarHBondContact O-CB 3.36Å; I176-S179 PolarHBondContact O-N 2.69Å; I176-S179 VanDerWaalsContact O-N 3.09Å; I176-S179 PolarHBondContact O-OG 3.31Å; I176-W180 PolarHBondContact O-N 2.84Å
177G92.2Very high91.7Very high13 Ų1351.5 Ų51.513%0.13427%0.272CS..Hα-helixtrans-56.2-36.3179.300000113S175 S179 W180 E181S175-G177 PolarHBondContact O-N 2.94Å; G177-S179 VanDerWaalsContact C-N 3.27Å; G177-S179 PolarHBondContact O-N 3.31Å; G177-W180 WeakPolarHBondContact O-CA 3.49Å; G177-W180 WeakPolarHBondContact O-CB 3.27Å; G177-W180 PolarHBondContact O-N 3.28Å; G177-E181 PolarHBondContact O-N 3.26Å
178D92Very high92.3Very high97 Ų9752.5 Ų52.552%0.51929%0.29SS..Hα-helixtrans-62.1-36.5179.7-55.4-21000111.9S175 I176 W180 T182S175-D178 PolarHBondContact O-N 2.65Å; I176-D178 PolarHBondContact O-N 2.97Å; D178-W180 VanDerWaalsContact C-N 3.34Å; D178-T182 VanDerWaalsContact O-CB 3.26Å; D178-T182 WeakPolarHBondContact O-CB 3.49Å; D178-T182 PolarHBondContact O-N 3.35Å; D178-T182 PolarHBondContact O-OG1 3.46Å
179S92.6Very high92.8Very high39 Ų3950.9 Ų50.927%0.27327%0.27SS..Hα-helixtrans-68-35.7176.676.60000111.9W59 I176 G177 A183W59-S179 PolarHBondContact NE1-OG 2.88Å; W59-S179 VanDerWaalsContact NE1-OG 3.14Å; I176-S179 WeakPolarHBondContact O-CB 3.36Å; I176-S179 PolarHBondContact O-N 2.69Å; I176-S179 VanDerWaalsContact O-N 3.09Å; I176-S179 PolarHBondContact O-OG 3.31Å; G177-S179 VanDerWaalsContact C-N 3.27Å; G177-S179 PolarHBondContact O-N 3.31Å; S179-A183 WeakPolarHBondContact O-CB 3.23Å; S179-A183 PolarHBondContact O-N 2.93Å
180W95Very high93.2Very high0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-68.2-50.4174172.3-86.1000111.5L38 L46 W59 I176 G177 D178 T182 A183 I184 R192 A194 Q196L38-W180 HydrophobicContact CD1-CH2 3.63Å; L38-W180 HydrophobicContact CD1-CZ2 4.33Å; L38-W180 HydrophobicContact CD1-CZ3 4.41Å; L38-W180 HydrophobicContact CG-CH2 4.33Å; L46-W180 HydrophobicContact CD2-CD2 4.47Å; L46-W180 HydrophobicContact CD2-CE3 3.78Å; L46-W180 HydrophobicContact CD2-CH2 3.61Å; L46-W180 HydrophobicContact CD2-CZ2 4.26Å; L46-W180 HydrophobicContact CD2-CZ3 3.33Å; W59-W180 AromaticContact CD2-CE3 3.55Å; W59-W180 HydrophobicContact CD2-CE3 3.55Å; W59-W180 HydrophobicContact CD2-CZ3 4.15Å; W59-W180 AromaticContact CE2-CE3 3.97Å; W59-W180 HydrophobicContact CE3-CD2 4.43Å; W59-W180 AromaticContact CE3-CE3 3.33Å; W59-W180 HydrophobicContact CE3-CE3 3.33Å; W59-W180 AromaticContact CE3-CZ3 3.67Å; W59-W180 HydrophobicContact CE3-CZ3 3.67Å; W59-W180 HydrophobicContact CG-CE3 4.19Å; W59-W180 HydrophobicContact CH2-CB 3.83Å; W59-W180 HydrophobicContact CH2-CE3 4.1Å; W59-W180 HydrophobicContact CH2-CG 4.46Å; W59-W180 HydrophobicContact CZ2-CB 3.46Å; W59-W180 VanDerWaalsContact CZ2-CB 3.46Å; W59-W180 HydrophobicContact CZ2-CE3 4.27Å; W59-W180 HydrophobicContact CZ2-CG 4.43Å; W59-W180 HydrophobicContact CZ3-CD2 4.36Å; W59-W180 AromaticContact CZ3-CE3 3.62Å; W59-W180 HydrophobicContact CZ3-CE3 3.62Å; W59-W180 HydrophobicContact CZ3-CZ3 4.13Å; I176-W180 PolarHBondContact O-N 2.84Å; G177-W180 WeakPolarHBondContact O-CA 3.49Å; G177-W180 WeakPolarHBondContact O-CB 3.27Å; G177-W180 PolarHBondContact O-N 3.28Å; D178-W180 VanDerWaalsContact C-N 3.34Å; W180-T182 VanDerWaalsContact C-N 3.25Å; W180-T182 PolarHBondContact O-N 3.16Å; W180-A183 PolarHBondContact O-N 3.39Å; W180-I184 HydrophobicContact CD2-CG1 4.2Å; W180-I184 HydrophobicContact CG-CG1 4.22Å; W180-I184 HydrophobicContact CZ2-CD1 4.02Å; W180-I184 HydrophobicContact CZ2-CG1 4.34Å; W180-I184 WeakPolarHBondContact O-CB 3.5Å; W180-I184 WeakPolarHBondContact O-CG1 3.41Å; W180-I184 PolarHBondContact O-N 2.91Å; W180-R192 PolarHBondContact NE1-O 2.77Å; W180-A194 HydrophobicContact CB-CB 3.8Å; W180-A194 HydrophobicContact CD2-CB 4.11Å; W180-A194 HydrophobicContact CG-CB 3.66Å; W180-Q196 HydrophobicContact CZ2-CB 4.43Å
181E95.4Very high93.3Very high93 Ų9360 Ų6044%0.43531%0.307SS..Hα-helixtrans-59-41.5-179.9-71.9-176.9-173.700111.2G177 K185G177-E181 PolarHBondContact O-N 3.26Å; E181-K185 WeakPolarHBondContact O-CB 3.3Å; E181-K185 PolarHBondContact O-N 2.82Å
182T94.5Very high93.4Very high59 Ų5959.3 Ų59.336%0.36230%0.304SS..Hα-helixtrans-62.3-42.8174.3-60.70000112.2D178 W180 R186D178-T182 VanDerWaalsContact O-CB 3.26Å; D178-T182 WeakPolarHBondContact O-CB 3.49Å; D178-T182 PolarHBondContact O-N 3.35Å; D178-T182 PolarHBondContact O-OG1 3.46Å; W180-T182 VanDerWaalsContact C-N 3.25Å; W180-T182 PolarHBondContact O-N 3.16Å; T182-R186 WeakPolarHBondContact O-CG 3.42Å; T182-R186 PolarHBondContact O-N 3.04Å
183A95.7Very high93.5Very high2 Ų261.2 Ų61.22%0.01731%0.312CS..Hα-helixtrans-70.2-43.4179.500000112L46 A49 S179 W180 K185 R186 A187L46-A183 HydrophobicContact CD1-CB 3.59Å; A49-A183 WeakPolarHBondContact CB-O 3.24Å; S179-A183 WeakPolarHBondContact O-CB 3.23Å; S179-A183 PolarHBondContact O-N 2.93Å; W180-A183 PolarHBondContact O-N 3.39Å; A183-K185 VanDerWaalsContact C-N 3.34Å; A183-K185 PolarHBondContact O-N 3.42Å; A183-R186 PolarHBondContact O-N 3.2Å; A183-A187 VanDerWaalsContact O-CB 3.28Å; A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.16Å
184I96.5Very high93.8Very high4 Ų460.6 Ų60.62%0.02131%0.31CS..Hα-helixtrans-56.5-46.9174.8-74.2-73.5000111L38 L46 W180 R186 A187 G188 I189L38-I184 HydrophobicContact CD2-CD1 4.39Å; L46-I184 HydrophobicContact CD1-CD1 3.74Å; L46-I184 HydrophobicContact CD1-CG1 3.8Å; L46-I184 HydrophobicContact CD2-CD1 4.46Å; W180-I184 HydrophobicContact CD2-CG1 4.2Å; W180-I184 HydrophobicContact CG-CG1 4.22Å; W180-I184 HydrophobicContact CZ2-CD1 4.02Å; W180-I184 HydrophobicContact CZ2-CG1 4.34Å; W180-I184 WeakPolarHBondContact O-CB 3.5Å; W180-I184 WeakPolarHBondContact O-CG1 3.41Å; W180-I184 PolarHBondContact O-N 2.91Å; I184-R186 PolarHBondContact O-N 3Å; I184-A187 PolarHBondContact O-N 2.97Å; I184-G188 PolarHBondContact O-N 3.18Å; I184-I189 HydrophobicContact CD1-CB 4.03Å; I184-I189 HydrophobicContact CD1-CD1 4.14Å; I184-I189 HydrophobicContact CD1-CG2 3.84Å; I184-I189 HydrophobicContact CG2-CB 4.16Å; I184-I189 HydrophobicContact CG2-CG2 4.48Å; I184-I189 WeakPolarHBondContact CG2-O 3.26Å; I184-I189 PolarHBondContact O-N 2.87Å; I184-I189 VanDerWaalsContact O-N 3.13Å
185K96.5Very high94.2Very high180 Ų18061.3 Ų61.378%0.78331%0.307SS*.Hα-helixtrans-61.9-42.8178.3-174.1176.7-179.5177.50111.8E181 A183 G188E181-K185 WeakPolarHBondContact O-CB 3.3Å; E181-K185 PolarHBondContact O-N 2.82Å; A183-K185 VanDerWaalsContact C-N 3.34Å; A183-K185 PolarHBondContact O-N 3.42Å; K185-G188 PolarHBondContact O-N 2.95Å
186R96.6Very high94.5Very high118 Ų11860.5 Ų60.545%0.44530%0.298SS..Hα-helixtrans-69.3-33.8178-75.3178.6-169.6145.98.4113.1A49 T182 A183 I184 G188A49-R186 HydrophobicContact CB-CB 3.86Å; T182-R186 WeakPolarHBondContact O-CG 3.42Å; T182-R186 PolarHBondContact O-N 3.04Å; A183-R186 PolarHBondContact O-N 3.2Å; I184-R186 PolarHBondContact O-N 3Å; R186-G188 PolarHBondContact O-N 2.72Å
187A96.7Very high94.7Very high13 Ų1360.4 Ų60.411%0.10730%0.298CS..THydrogen-bonded Turntrans-75-7.617900000113.6R45 A49 A183 I184 I189R45-A187 HydrophobicContact CB-CB 4.09Å; R45-A187 PolarHBondContact NH1-O 2.86Å; R45-A187 WeakPolarHBondContact O-CB 3.35Å; A49-A187 HydrophobicContact CB-CB 3.79Å; A183-A187 VanDerWaalsContact O-CB 3.28Å; A183-A187 WeakPolarHBondContact O-CB 3.32Å; A183-A187 PolarHBondContact O-N 3.16Å; I184-A187 PolarHBondContact O-N 2.97Å; A187-I189 VanDerWaalsContact C-N 3.31Å; A187-I189 HydrophobicContact CB-CD1 3.51Å; A187-I189 HydrophobicContact CB-CG1 3.76Å
188G95.8Very high94.9Very high63 Ų6359.9 Ų59.965%0.64929%0.292SS*.THydrogen-bonded Turntrans66.433-174.500000112.6R45 I184 K185 R186R45-G188 PolarHBondContact NH1-O 3.18Å; I184-G188 PolarHBondContact O-N 3.18Å; K185-G188 PolarHBondContact O-N 2.95Å; R186-G188 PolarHBondContact O-N 2.72Å
189I95.7Very high94.9Very high12 Ų1256.9 Ų56.96%0.06227%0.274CS..PPolyproline II helixtrans-98.2143.2179.9-60.1166.9000108.7L38 E42 R45 L46 I184 A187 H191L38-I189 HydrophobicContact CD2-CG2 4.44Å; E42-I189 HydrophobicContact CB-CD1 4Å; E42-I189 HydrophobicContact CB-CG1 4.36Å; E42-I189 HydrophobicContact CG-CD1 4.45Å; E42-I189 HydrophobicContact CG-CG1 4.26Å; E42-I189 HydrophobicContact CG-CG2 4.27Å; E42-I189 WeakPolarHBondContact O-CD1 3.49Å; R45-I189 HydrophobicContact CB-CD1 4.42Å; L46-I189 HydrophobicContact CB-CD1 3.9Å; I184-I189 HydrophobicContact CD1-CB 4.03Å; I184-I189 HydrophobicContact CD1-CD1 4.14Å; I184-I189 HydrophobicContact CD1-CG2 3.84Å; I184-I189 HydrophobicContact CG2-CB 4.16Å; I184-I189 HydrophobicContact CG2-CG2 4.48Å; I184-I189 WeakPolarHBondContact CG2-O 3.26Å; I184-I189 PolarHBondContact O-N 2.87Å; I184-I189 VanDerWaalsContact O-N 3.13Å; A187-I189 VanDerWaalsContact C-N 3.31Å; A187-I189 HydrophobicContact CB-CD1 3.51Å; A187-I189 HydrophobicContact CB-CG1 3.76Å; I189-H191 PolarHBondContact O-N 2.88Å
190R95.4Very high95.1Very high148 Ų14855 Ų5556%0.55826%0.261SS*.PPolyproline II helixtrans-53.2141173.7176.1170.662.574.2-4.8109.7D36 R192D36-R190 IonicContact OD1-NH2 2.85Å; D36-R190 PolarHBondContact OD1-NH2 3Å; D36-R190 IonicContact OD2-CZ 3.63Å; D36-R190 IonicContact OD2-NH1 3.53Å; D36-R190 PolarHBondContact OD2-NH1 3.37Å; D36-R190 IonicContact OD2-NH2 2.65Å; D36-R190 PolarHBondContact OD2-NH2 3.1Å; R190-R192 WeakPolarHBondContact O-CG 3.39Å; R190-R192 PolarHBondContact O-N 3.05Å
191H94.4Very high95.1Very high119 Ų11955.9 Ų55.955%0.55127%0.265SS*.PPolyproline II helixtrans-53.9128177.4175.8-89.1000111.8I189I189-H191 PolarHBondContact O-N 2.88Å
192R92.4Very high95Very high19 Ų1951.5 Ų51.57%0.07224%0.244CC..  trans-146.1142.5178-66.3-177.1-159.6-161.88.6108.8D36 P37 E42 W180 R190 Q196D36-R192 PolarHBondContact O-NH1 2.75Å; D36-R192 IonicContact OD1-CZ 3.34Å; D36-R192 IonicContact OD1-NE 3.07Å; D36-R192 IonicContact OD1-NH1 3.86Å; D36-R192 PolarHBondContact OD1-NH1 2.82Å; D36-R192 IonicContact OD1-NH2 3.68Å; D36-R192 WeakPolarHBondContact OD2-CD 3.33Å; D36-R192 WeakPolarHBondContact OD2-CG 3.35Å; D36-R192 IonicContact OD2-CZ 2.72Å; D36-R192 IonicContact OD2-NE 2.81Å; D36-R192 PolarHBondContact OD2-NE 2.87Å; D36-R192 IonicContact OD2-NH1 2.82Å; P37-R192 PolarHBondContact O-NH1 2.96Å; E42-R192 IonicContact OE1-CZ 3.82Å; E42-R192 IonicContact OE1-NH2 3.59Å; E42-R192 PolarHBondContact OE1-NH2 2.97Å; E42-R192 IonicContact OE2-CZ 2.9Å; E42-R192 IonicContact OE2-NH1 3.16Å; E42-R192 IonicContact OE2-NH2 2.71Å; E42-R192 PolarHBondContact OE2-NH2 2.85Å; W180-R192 PolarHBondContact NE1-O 2.77Å; R190-R192 WeakPolarHBondContact O-CG 3.39Å; R190-R192 PolarHBondContact O-N 3.05Å; R192-Q196 HydrophobicContact CB-CG 4.11Å
193K93.3Very high94.9Very high155 Ų15548.7 Ų48.767%0.67423%0.227SC*.  trans-65.8146.1177.1-65.1-177.7178-179.40110.6Y195 Q196K193-Y195 PolarHBondContact O-N 3.22Å; K193-Q196 VanDerWaalsContact O-CB 3.3Å; K193-Q196 WeakPolarHBondContact O-CB 3.15Å; K193-Q196 VanDerWaalsContact O-CG 3.32Å; K193-Q196 WeakPolarHBondContact O-CG 2.99Å; K193-Q196 PolarHBondContact O-N 3.18Å
194A94.9Very high94.7Very high10 Ų1052 Ų528%0.08324%0.239CC..THydrogen-bonded Turntrans-54.9-27.2177.900000114.1W59 H69 W180 Q196 S197W59-A194 HydrophobicContact CH2-CB 3.77Å; W59-A194 HydrophobicContact CZ3-CB 4.24Å; H69-A194 VanDerWaalsContact CE1-C 3.43Å; H69-A194 PolarHBondContact CE1-O 3.36Å; H69-A194 PolarHBondContact NE2-O 2.69Å; W180-A194 HydrophobicContact CB-CB 3.8Å; W180-A194 HydrophobicContact CD2-CB 4.11Å; W180-A194 HydrophobicContact CG-CB 3.66Å; A194-Q196 PolarHBondContact O-N 2.99Å; A194-Q196 VanDerWaalsContact O-N 3.12Å; A194-S197 WeakPolarHBondContact O-CB 3.32Å; A194-S197 PolarHBondContact O-N 3.34Å; A194-S197 PolarHBondContact O-OG 3.32Å; A194-S197 VanDerWaalsContact O-OG 3.1Å
195Y93.9Very high94.5Very high98 Ų9852.9 Ų52.938%0.38425%0.246SC..THydrogen-bonded Turntrans-64.2-15.6177.8-157.5-100.6000112.9H69 K193 S197 R198 H199H69-Y195 PolarHBondContact CE1-N 3.19Å; K193-Y195 PolarHBondContact O-N 3.22Å; Y195-S197 PolarHBondContact O-N 3.25Å; Y195-R198 PolarHBondContact O-N 3.24Å; Y195-R198 VanDerWaalsContact O-N 3.16Å; Y195-H199 AromaticContact CD1-CD2 3.9Å; Y195-H199 AromaticContact CD1-NE2 3.55Å; Y195-H199 AromaticContact CE1-NE2 3.83Å; Y195-H199 PolarHBondContact O-N 3.45Å
196Q94.1Very high94.1Very high27 Ų2744.5 Ų44.513%0.12621%0.21CC..Hα-helixtrans-62.3-18.1170.4-64.8-59.9-14.600112.9D36 W180 R192 K193 A194 R198 H199 T200D36-Q196 PolarHBondContact O-OE1 3.49Å; W180-Q196 HydrophobicContact CZ2-CB 4.43Å; R192-Q196 HydrophobicContact CB-CG 4.11Å; K193-Q196 VanDerWaalsContact O-CB 3.3Å; K193-Q196 WeakPolarHBondContact O-CB 3.15Å; K193-Q196 VanDerWaalsContact O-CG 3.32Å; K193-Q196 WeakPolarHBondContact O-CG 2.99Å; K193-Q196 PolarHBondContact O-N 3.18Å; A194-Q196 PolarHBondContact O-N 2.99Å; A194-Q196 VanDerWaalsContact O-N 3.12Å; Q196-R198 VanDerWaalsContact C-N 3.26Å; Q196-R198 PolarHBondContact O-N 2.71Å; Q196-H199 PolarHBondContact O-N 3.43Å; Q196-H199 VanDerWaalsContact OE1-CB 3.29Å; Q196-H199 PolarHBondContact OE1-CD2 2.89Å; Q196-T200 WeakPolarHBondContact O-CB 3.3Å; Q196-T200 PolarHBondContact O-N 3.11Å; Q196-T200 PolarHBondContact O-OG1 3.14Å
197S95.7Very high93.6Very high0 Ų040.9 Ų40.90%020%0.202CC..Hα-helixtrans-57-42.4171.470.20000111.6H69 A194 Y195 T200 Y201H69-S197 PolarHBondContact NE2-OG 3.39Å; A194-S197 WeakPolarHBondContact O-CB 3.32Å; A194-S197 PolarHBondContact O-N 3.34Å; A194-S197 PolarHBondContact O-OG 3.32Å; A194-S197 VanDerWaalsContact O-OG 3.1Å; Y195-S197 PolarHBondContact O-N 3.25Å; S197-T200 PolarHBondContact O-N 3.2Å; S197-Y201 PolarHBondContact O-N 3.32Å
198R95.1Very high93.1Very high2 Ų243.9 Ų43.91%0.00823%0.227CC..Hα-helixtrans-74-35.9178.3176.1167.7175.2114.4-7.5112.6G66 Y195 Q196 T200 A202 M219 H221G66-R198 VanDerWaalsContact O-CD 3.25Å; G66-R198 WeakPolarHBondContact O-CD 3.28Å; G66-R198 VanDerWaalsContact O-CG 3.25Å; G66-R198 WeakPolarHBondContact O-CG 3.37Å; G66-R198 PolarHBondContact O-NH1 2.86Å; Y195-R198 PolarHBondContact O-N 3.24Å; Y195-R198 VanDerWaalsContact O-N 3.16Å; Q196-R198 VanDerWaalsContact C-N 3.26Å; Q196-R198 PolarHBondContact O-N 2.71Å; R198-T200 VanDerWaalsContact C-N 3.34Å; R198-A202 PolarHBondContact O-N 2.91Å; R198-M219 HydrophobicContact CG-CE 3.54Å; R198-M219 PolarHBondContact NH1-O 2.78Å; R198-M219 PolarHBondContact NH2-O 3.16Å; R198-H221 PolarHBondContact NH2-NE2 2.79Å
199H93.8Very high92.6Very high33 Ų3342.5 Ų42.515%0.15321%0.213CC..Hα-helixtrans-65.7-39.8172.6-71.8-61.5000111.5P35 Y195 Q196 Y201 A202 C203 Y231P35-H199 HydrophobicContact CB-CB 4Å; Y195-H199 AromaticContact CD1-CD2 3.9Å; Y195-H199 AromaticContact CD1-NE2 3.55Å; Y195-H199 AromaticContact CE1-NE2 3.83Å; Y195-H199 PolarHBondContact O-N 3.45Å; Q196-H199 PolarHBondContact O-N 3.43Å; Q196-H199 VanDerWaalsContact OE1-CB 3.29Å; Q196-H199 PolarHBondContact OE1-CD2 2.89Å; H199-Y201 PolarHBondContact O-N 2.7Å; H199-A202 PolarHBondContact O-N 3.29Å; H199-A202 VanDerWaalsContact O-N 3.16Å; H199-C203 PolarHBondContact O-N 2.89Å; H199-C203 PolarHBondContact O-SG 3.02Å; H199-Y231 HydrophobicContact CB-CE1 4.18Å; H199-Y231 AromaticContact ND1-CE1 3.39Å; H199-Y231 WeakPolarHBondContact ND1-CE1 3.11Å; H199-Y231 AromaticContact ND1-CZ 3.43Å; H199-Y231 PolarHBondContact ND1-OH 3.4Å
200T95.4Very high92.1Very high0 Ų043.4 Ų43.40%022%0.222CC..Hα-helixtrans-58.9-46.5176.9-56.70000111L38 V63 Q196 S197 R198 A202 C203 W204L38-T200 HydrophobicContact CB-CG2 3.98Å; L38-T200 PolarHBondContact N-OG1 3.04Å; V63-T200 HydrophobicContact CG1-CG2 3.79Å; Q196-T200 WeakPolarHBondContact O-CB 3.3Å; Q196-T200 PolarHBondContact O-N 3.11Å; Q196-T200 PolarHBondContact O-OG1 3.14Å; S197-T200 PolarHBondContact O-N 3.2Å; R198-T200 VanDerWaalsContact C-N 3.34Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 2.97Å; T200-C203 PolarHBondContact O-N 2.77Å; T200-W204 HydrophobicContact CG2-CD2 3.81Å; T200-W204 VanDerWaalsContact CG2-CE2 3.43Å; T200-W204 HydrophobicContact CG2-CE3 4.43Å; T200-W204 HydrophobicContact CG2-CG 4.15Å; T200-W204 HydrophobicContact CG2-CH2 4.42Å; T200-W204 HydrophobicContact CG2-CZ2 3.77Å; T200-W204 VanDerWaalsContact O-CB 3.28Å; T200-W204 WeakPolarHBondContact O-CB 3.32Å; T200-W204 VanDerWaalsContact O-CG 3.27Å; T200-W204 PolarHBondContact O-N 3.22Å
201Y95.9Very high91.8Very high19 Ų1941 Ų418%0.07522%0.22CC..Hα-helixtrans-52.3-51.2173173.4-105000112.4V63 Y64 S197 H199 S205 I215 Q218 M219V63-Y201 WeakPolarHBondContact O-CA 2.84Å; V63-Y201 WeakPolarHBondContact O-CB 3.35Å; V63-Y201 WeakPolarHBondContact O-CD2 3.42Å; Y64-Y201 WeakPolarHBondContact O-CD2 3.37Å; Y64-Y201 WeakPolarHBondContact O-CE2 3.25Å; S197-Y201 PolarHBondContact O-N 3.32Å; H199-Y201 PolarHBondContact O-N 2.7Å; Y201-S205 VanDerWaalsContact O-CB 3.29Å; Y201-S205 WeakPolarHBondContact O-CB 3.1Å; Y201-S205 PolarHBondContact O-N 3.45Å; Y201-S205 PolarHBondContact O-OG 2.87Å; Y201-I215 HydrophobicContact CE1-CG2 4.36Å; Y201-Q218 HydrophobicContact CE1-CB 4.43Å; Y201-Q218 WeakPolarHBondContact OH-CB 3.26Å; Y201-M219 HydrophobicContact CD1-CG 4.02Å; Y201-M219 HydrophobicContact CD1-SD 4.21Å; Y201-M219 HydrophobicContact CE1-CG 3.85Å; Y201-M219 HydrophobicContact CE1-SD 4.39Å
202A93.7Very high91.6Very high0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-65.7-47.1-17600000111.7R198 H199 T200 S205 L206 I215 M219 Y231R198-A202 PolarHBondContact O-N 2.91Å; H199-A202 PolarHBondContact O-N 3.29Å; H199-A202 VanDerWaalsContact O-N 3.16Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 2.97Å; A202-S205 PolarHBondContact O-N 2.96Å; A202-L206 VanDerWaalsContact O-CG 3.3Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.35Å; A202-I215 HydrophobicContact CB-CG2 4.49Å; A202-M219 HydrophobicContact CB-CE 4.03Å; A202-M219 HydrophobicContact CB-SD 3.82Å; A202-Y231 HydrophobicContact CB-CD1 4.1Å; A202-Y231 HydrophobicContact CB-CD2 3.84Å; A202-Y231 HydrophobicContact CB-CE1 3.67Å; A202-Y231 HydrophobicContact CB-CE2 3.4Å; A202-Y231 HydrophobicContact CB-CG 4.17Å
203C91.6Very high91.4Very high1 Ų138.4 Ų38.41%0.00722%0.218CC..Hα-helixtrans-62.1-47.9177.8-60.30000111P37 H199 T200 S205 L206 S207 Y231 W234P37-C203 HydrophobicContact CB-CB 3.72Å; P37-C203 HydrophobicContact CG-CB 3.83Å; H199-C203 PolarHBondContact O-N 2.89Å; H199-C203 PolarHBondContact O-SG 3.02Å; T200-C203 PolarHBondContact O-N 2.77Å; C203-S205 VanDerWaalsContact C-N 3.32Å; C203-S205 PolarHBondContact O-N 3.29Å; C203-L206 PolarHBondContact O-N 2.99Å; C203-S207 WeakPolarHBondContact O-CB 3.46Å; C203-S207 PolarHBondContact O-N 3.26Å; C203-S207 PolarHBondContact O-OG 3.12Å; C203-S207 VanDerWaalsContact O-OG 3.11Å; C203-Y231 VanDerWaalsContact SG-CD1 3.51Å; C203-W234 HydrophobicContact CB-CD2 4.12Å; C203-W234 HydrophobicContact CB-CG 4.26Å; C203-W234 VanDerWaalsContact SG-CE3 3.54Å
204W92.2Very high91.3Very high71 Ų7135.3 Ų35.327%0.26921%0.205SC..Hα-helixtrans-62.9-39.1179.8-73.612.6000112.5L38 R40 F43 V63 T200 A208L38-W204 WeakPolarHBondContact O-CZ2 3.34Å; L38-W204 PolarHBondContact O-NE1 3.33Å; R40-W204 HydrophobicContact CG-CZ2 4.4Å; F43-W204 HydrophobicContact CB-CH2 3.57Å; F43-W204 HydrophobicContact CB-CZ2 3.94Å; F43-W204 AromaticContact CD1-CH2 3.79Å; F43-W204 HydrophobicContact CD1-CH2 3.79Å; F43-W204 HydrophobicContact CD1-CZ3 4.33Å; F43-W204 HydrophobicContact CD2-CH2 4.26Å; F43-W204 AromaticContact CG-CH2 3.6Å; F43-W204 HydrophobicContact CG-CH2 3.6Å; F43-W204 HydrophobicContact CG-CZ2 4.41Å; F43-W204 HydrophobicContact CG-CZ3 4.39Å; V63-W204 HydrophobicContact CG1-CE3 4.26Å; V63-W204 HydrophobicContact CG1-CH2 4.38Å; V63-W204 HydrophobicContact CG1-CZ3 4Å; T200-W204 HydrophobicContact CG2-CD2 3.81Å; T200-W204 VanDerWaalsContact CG2-CE2 3.43Å; T200-W204 HydrophobicContact CG2-CE3 4.43Å; T200-W204 HydrophobicContact CG2-CG 4.15Å; T200-W204 HydrophobicContact CG2-CH2 4.42Å; T200-W204 HydrophobicContact CG2-CZ2 3.77Å; T200-W204 VanDerWaalsContact O-CB 3.28Å; T200-W204 WeakPolarHBondContact O-CB 3.32Å; T200-W204 VanDerWaalsContact O-CG 3.27Å; T200-W204 PolarHBondContact O-N 3.22Å; W204-A208 WeakPolarHBondContact O-CB 3.13Å; W204-A208 PolarHBondContact O-N 2.94Å
205S91.3Very high91.2Very high22 Ų2234.9 Ų34.915%0.15420%0.201CC..Hα-helixtrans-65.4-42.1177.1-58.70000111.4Y201 A202 C203 A208 G209 A210Y201-S205 VanDerWaalsContact O-CB 3.29Å; Y201-S205 WeakPolarHBondContact O-CB 3.1Å; Y201-S205 PolarHBondContact O-N 3.45Å; Y201-S205 PolarHBondContact O-OG 2.87Å; A202-S205 PolarHBondContact O-N 2.96Å; C203-S205 VanDerWaalsContact C-N 3.32Å; C203-S205 PolarHBondContact O-N 3.29Å; S205-A208 PolarHBondContact O-N 3.05Å; S205-G209 PolarHBondContact O-N 2.96Å; S205-A210 WeakPolarHBondContact O-CB 3.46Å; S205-A210 PolarHBondContact O-N 3.42Å
206L89.3Confident91.1Very high5 Ų530.4 Ų30.43%0.02618%0.184CC..Hα-helixtrans-66.5-44.9176.9-70.4167000112.1A202 C203 A208 G209 P212 I215 V227 Y231 M235 S238A202-L206 VanDerWaalsContact O-CG 3.3Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.35Å; C203-L206 PolarHBondContact O-N 2.99Å; L206-A208 PolarHBondContact O-N 3.42Å; L206-G209 WeakPolarHBondContact O-CA 3.36Å; L206-G209 PolarHBondContact O-N 2.87Å; L206-P212 HydrophobicContact CD2-CB 4.37Å; L206-P212 HydrophobicContact CD2-CG 3.99Å; L206-I215 HydrophobicContact CD2-CD1 3.36Å; L206-I215 HydrophobicContact CG-CD1 3.59Å; L206-V227 HydrophobicContact CD1-CG1 3.97Å; L206-V227 HydrophobicContact CD2-CG1 4.11Å; L206-V227 HydrophobicContact CG-CG1 4.49Å; L206-Y231 HydrophobicContact CD1-CD2 4.38Å; L206-Y231 HydrophobicContact CD1-CG 4Å; L206-M235 HydrophobicContact CD1-CG 4.48Å; L206-M235 HydrophobicContact CD2-CG 4.1Å; L206-S238 PolarHBondContact O-OG 2.92Å
207S85.5Confident90.9Very high42 Ų4232 Ų3229%0.29420%0.199SC..Hα-helixtrans-66-18.9175.4-58.30000113.1C203 G209 D237 S238C203-S207 WeakPolarHBondContact O-CB 3.46Å; C203-S207 PolarHBondContact O-N 3.26Å; C203-S207 PolarHBondContact O-OG 3.12Å; C203-S207 VanDerWaalsContact O-OG 3.11Å; S207-G209 VanDerWaalsContact C-N 3.29Å; S207-D237 PolarHBondContact OG-OD2 3.47Å; S207-S238 PolarHBondContact O-OG 3.38Å
208A85.9Confident90.8Very high75 Ų7532.1 Ų32.162%0.6220%0.199SC*.THydrogen-bonded Turntrans-87.46.2169.700000113.4W204 S205 L206W204-A208 WeakPolarHBondContact O-CB 3.13Å; W204-A208 PolarHBondContact O-N 2.94Å; S205-A208 PolarHBondContact O-N 3.05Å; L206-A208 PolarHBondContact O-N 3.42Å
209G84.5Confident90.6Very high34 Ų3432 Ų3235%0.35120%0.199SC..THydrogen-bonded Turntrans78.414.417900000115.1S205 L206 S207S205-G209 PolarHBondContact O-N 2.96Å; L206-G209 WeakPolarHBondContact O-CA 3.36Å; L206-G209 PolarHBondContact O-N 2.87Å; S207-G209 VanDerWaalsContact C-N 3.29Å
210A86.9Confident90.2Very high32 Ų3230.5 Ų30.526%0.26419%0.192SC..  trans-67143.8178.800000111.6S205 I215S205-A210 WeakPolarHBondContact O-CB 3.46Å; S205-A210 PolarHBondContact O-N 3.42Å; A210-I215 HydrophobicContact CB-CD1 3.93Å; A210-I215 HydrophobicContact CB-CG1 4.1Å
211N87.4Confident89.7Confident97 Ų9731.5 Ų31.552%0.51920%0.197SC..  trans-62.4126.7-179.4-177.2-44.8000110.7S213 F214 I215N211-S213 PolarHBondContact O-N 3.2Å; N211-S213 WeakPolarHBondContact OD1-CA 3.35Å; N211-S213 VanDerWaalsContact OD1-CB 3.27Å; N211-S213 WeakPolarHBondContact OD1-CB 3.31Å; N211-S213 PolarHBondContact OD1-N 3.43Å; N211-F214 HydrophobicContact CB-CB 4.04Å; N211-F214 WeakPolarHBondContact O-CA 3.49Å; N211-F214 WeakPolarHBondContact O-CB 3.45Å; N211-F214 PolarHBondContact O-N 2.98Å; N211-I215 PolarHBondContact O-N 3.35Å
212P89.9Confident89Confident17 Ų1734.7 Ų34.711%0.1123%0.227CC..Hα-helixtrans-56.3-34.2179.5-26.933.9000114.4L206 I215 A216 V227 F228 M235L206-P212 HydrophobicContact CD2-CB 4.37Å; L206-P212 HydrophobicContact CD2-CG 3.99Å; P212-I215 PolarHBondContact O-N 3.35Å; P212-A216 VanDerWaalsContact O-CB 3.32Å; P212-A216 WeakPolarHBondContact O-CB 3.35Å; P212-A216 PolarHBondContact O-N 2.92Å; P212-V227 HydrophobicContact CB-CG1 4.07Å; P212-F228 HydrophobicContact CB-CE1 4.12Å; P212-F228 HydrophobicContact CB-CE2 4Å; P212-F228 HydrophobicContact CB-CZ 3.71Å; P212-F228 HydrophobicContact CG-CE1 3.9Å; P212-F228 HydrophobicContact CG-CZ 3.83Å; P212-M235 HydrophobicContact CG-CE 3.46Å; P212-M235 VanDerWaalsContact CG-CE 3.46Å; P212-M235 HydrophobicContact CG-SD 4.16Å
213S89.6Confident88.5Confident67 Ų6737.9 Ų37.947%0.46925%0.249SC..Hα-helixtrans-69.3-36.9175.8-59.30000111.9N211 A216 S217N211-S213 PolarHBondContact O-N 3.2Å; N211-S213 WeakPolarHBondContact OD1-CA 3.35Å; N211-S213 VanDerWaalsContact OD1-CB 3.27Å; N211-S213 WeakPolarHBondContact OD1-CB 3.31Å; N211-S213 PolarHBondContact OD1-N 3.43Å; S213-A216 PolarHBondContact O-N 3.01Å; S213-S217 PolarHBondContact O-N 3.31Å
214F91.5Very high88.2Confident90 Ų9038.8 Ų38.840%0.39526%0.257SS..Hα-helixtrans-64.7-46.6171.5175.1-101.1000110.7H113 N211 A216 S217 Q218H113-F214 HydrophobicContact CB-CZ 4.42Å; H113-F214 AromaticContact CD2-CE2 3.91Å; N211-F214 HydrophobicContact CB-CB 4.04Å; N211-F214 WeakPolarHBondContact O-CA 3.49Å; N211-F214 WeakPolarHBondContact O-CB 3.45Å; N211-F214 PolarHBondContact O-N 2.98Å; F214-A216 VanDerWaalsContact C-N 3.28Å; F214-A216 PolarHBondContact O-N 3.35Å; F214-S217 PolarHBondContact O-N 3.33Å; F214-S217 VanDerWaalsContact O-N 3.16Å; F214-S217 PolarHBondContact O-OG 3.46Å; F214-Q218 HydrophobicContact CD1-CG 4.14Å; F214-Q218 HydrophobicContact CD2-CG 4.47Å; F214-Q218 HydrophobicContact CE1-CG 3.76Å; F214-Q218 HydrophobicContact CE2-CG 4.12Å; F214-Q218 HydrophobicContact CG-CG 4.48Å; F214-Q218 HydrophobicContact CZ-CG 3.74Å; F214-Q218 VanDerWaalsContact O-CG 3.27Å; F214-Q218 WeakPolarHBondContact O-CG 3.25Å; F214-Q218 PolarHBondContact O-N 3.36Å
215I92.1Very high88Confident0 Ų040.3 Ų40.30%027%0.267CS..Hα-helixtrans-59.7-41.9176.3-64.7157.8000111Y201 A202 L206 A210 N211 P212 S217 Q218 M219 V227Y201-I215 HydrophobicContact CE1-CG2 4.36Å; A202-I215 HydrophobicContact CB-CG2 4.49Å; L206-I215 HydrophobicContact CD2-CD1 3.36Å; L206-I215 HydrophobicContact CG-CD1 3.59Å; A210-I215 HydrophobicContact CB-CD1 3.93Å; A210-I215 HydrophobicContact CB-CG1 4.1Å; N211-I215 PolarHBondContact O-N 3.35Å; P212-I215 PolarHBondContact O-N 3.35Å; I215-S217 PolarHBondContact O-N 2.81Å; I215-Q218 PolarHBondContact O-N 3.4Å; I215-M219 HydrophobicContact CG2-CG 4.21Å; I215-M219 HydrophobicContact CG2-SD 3.6Å; I215-M219 VanDerWaalsContact CG2-SD 3.6Å; I215-M219 VanDerWaalsContact O-CB 3.32Å; I215-M219 WeakPolarHBondContact O-CB 3.4Å; I215-M219 VanDerWaalsContact O-CG 3.23Å; I215-M219 WeakPolarHBondContact O-CG 3.22Å; I215-M219 PolarHBondContact O-N 3.39Å; I215-V227 HydrophobicContact CG2-CG1 4.48Å; I215-V227 HydrophobicContact CG2-CG2 4.45Å
216A91.2Very high87.7Confident4 Ų442.7 Ų42.73%0.03328%0.276CS..Hα-helixtrans-60.9-41.7176.900000112.4P212 S213 F214 M219 G220 H221 A224 V227P212-A216 VanDerWaalsContact O-CB 3.32Å; P212-A216 WeakPolarHBondContact O-CB 3.35Å; P212-A216 PolarHBondContact O-N 2.92Å; S213-A216 PolarHBondContact O-N 3.01Å; F214-A216 VanDerWaalsContact C-N 3.28Å; F214-A216 PolarHBondContact O-N 3.35Å; A216-M219 PolarHBondContact O-N 3.02Å; A216-G220 PolarHBondContact O-N 3.32Å; A216-H221 HydrophobicContact CB-CB 4.21Å; A216-H221 PolarHBondContact O-N 3.42Å; A216-A224 HydrophobicContact CB-CB 4.07Å; A216-V227 HydrophobicContact CB-CG2 3.85Å
217S90.8Very high87.5Confident61 Ų6142.4 Ų42.443%0.42728%0.275SS..Hα-helixtrans-67.2-43.3176.974.70000111.7R110 S213 F214 I215 M219 G220R110-S217 WeakPolarHBondContact CD-O 3.45Å; S213-S217 PolarHBondContact O-N 3.31Å; F214-S217 PolarHBondContact O-N 3.33Å; F214-S217 VanDerWaalsContact O-N 3.16Å; F214-S217 PolarHBondContact O-OG 3.46Å; I215-S217 PolarHBondContact O-N 2.81Å; S217-M219 VanDerWaalsContact C-N 3.33Å; S217-M219 PolarHBondContact O-N 3.27Å; S217-G220 PolarHBondContact O-N 3.02Å
218Q92.2Very high87.4Confident2 Ų244.6 Ų44.61%0.00928%0.28CS..Hα-helixtrans-57.9-44.8174.4-66.5-59.1-64.800111.9R110 V111 H113 Y201 F214 I215 G220R110-Q218 PolarHBondContact NE-O 3.29Å; V111-Q218 PolarHBondContact O-NE2 3.48Å; V111-Q218 VanDerWaalsContact O-NE2 3.14Å; H113-Q218 PolarHBondContact CD2-NE2 2.83Å; H113-Q218 VanDerWaalsContact CD2-NE2 3.35Å; Y201-Q218 HydrophobicContact CE1-CB 4.43Å; Y201-Q218 WeakPolarHBondContact OH-CB 3.26Å; F214-Q218 HydrophobicContact CD1-CG 4.14Å; F214-Q218 HydrophobicContact CD2-CG 4.47Å; F214-Q218 HydrophobicContact CE1-CG 3.76Å; F214-Q218 HydrophobicContact CE2-CG 4.12Å; F214-Q218 HydrophobicContact CG-CG 4.48Å; F214-Q218 HydrophobicContact CZ-CG 3.74Å; F214-Q218 VanDerWaalsContact O-CG 3.27Å; F214-Q218 WeakPolarHBondContact O-CG 3.25Å; F214-Q218 PolarHBondContact O-N 3.36Å; I215-Q218 PolarHBondContact O-N 3.4Å; Q218-G220 VanDerWaalsContact C-N 3.31Å; Q218-G220 PolarHBondContact O-N 3.17Å
219M90.9Very high87.3Confident0 Ų045.4 Ų45.40%027%0.273CS..Hα-helixtrans-77.4-13.3-178.3-69.3-177.782.200113.6R110 R198 Y201 A202 I215 A216 S217 H221R110-M219 PolarHBondContact NH2-O 2.88Å; R198-M219 HydrophobicContact CG-CE 3.54Å; R198-M219 PolarHBondContact NH1-O 2.78Å; R198-M219 PolarHBondContact NH2-O 3.16Å; Y201-M219 HydrophobicContact CD1-CG 4.02Å; Y201-M219 HydrophobicContact CD1-SD 4.21Å; Y201-M219 HydrophobicContact CE1-CG 3.85Å; Y201-M219 HydrophobicContact CE1-SD 4.39Å; A202-M219 HydrophobicContact CB-CE 4.03Å; A202-M219 HydrophobicContact CB-SD 3.82Å; I215-M219 HydrophobicContact CG2-CG 4.21Å; I215-M219 HydrophobicContact CG2-SD 3.6Å; I215-M219 VanDerWaalsContact CG2-SD 3.6Å; I215-M219 VanDerWaalsContact O-CB 3.32Å; I215-M219 WeakPolarHBondContact O-CB 3.4Å; I215-M219 VanDerWaalsContact O-CG 3.23Å; I215-M219 WeakPolarHBondContact O-CG 3.22Å; I215-M219 PolarHBondContact O-N 3.39Å; A216-M219 PolarHBondContact O-N 3.02Å; S217-M219 VanDerWaalsContact C-N 3.33Å; S217-M219 PolarHBondContact O-N 3.27Å; M219-H221 VanDerWaalsContact SD-CE1 3.58Å
220G87.2Confident87.1Confident1 Ų145.8 Ų45.81%0.0127%0.269CS..THydrogen-bonded Turntrans71.143.8-175.700000112.4R68 S107 A216 S217 Q218R68-G220 PolarHBondContact NH2-O 3.35Å; S107-G220 WeakPolarHBondContact OG-CA 3.36Å; S107-G220 PolarHBondContact OG-O 3.19Å; A216-G220 PolarHBondContact O-N 3.32Å; S217-G220 PolarHBondContact O-N 3.02Å; Q218-G220 VanDerWaalsContact C-N 3.31Å; Q218-G220 PolarHBondContact O-N 3.17Å
221H84.7Confident86.9Confident22 Ų2244.5 Ų44.510%0.10226%0.257CS..  trans-89.2138.4168.7-59.8157000109.5R198 A216 M219 S223 M226R198-H221 PolarHBondContact NH2-NE2 2.79Å; A216-H221 HydrophobicContact CB-CB 4.21Å; A216-H221 PolarHBondContact O-N 3.42Å; M219-H221 VanDerWaalsContact SD-CE1 3.58Å; H221-S223 PolarHBondContact O-N 3.47Å; H221-M226 WeakPolarHBondContact CE1-CE 3.42Å; H221-M226 PolarHBondContact CE1-SD 3.05Å; H221-M226 WeakPolarHBondContact NE2-CE 3.33Å
222A80.4Confident86.4Confident86 Ų8641.2 Ų41.271%0.71125%0.246SC*.SBendtrans-67.7-21.8174.100000112.5
223S82.9Confident85.8Confident66 Ų6644 Ų4446%0.46227%0.271SS..  trans-144139.7179.1175.30000111.1H221 Q225 M226H221-S223 PolarHBondContact O-N 3.47Å; S223-Q225 PolarHBondContact O-N 3.36Å; S223-Q225 VanDerWaalsContact OG-CB 3.27Å; S223-Q225 WeakPolarHBondContact OG-CB 3.47Å; S223-Q225 PolarHBondContact OG-N 3.29Å; S223-Q225 VanDerWaalsContact OG-N 3.09Å; S223-M226 PolarHBondContact O-N 3.07Å
224A86.7Confident85.1Confident21 Ų2143.4 Ų43.417%0.17426%0.259CS..THydrogen-bonded Turntrans-63.5-20.817100000112.5A216 M226 V227 F228A216-A224 HydrophobicContact CB-CB 4.07Å; A224-M226 PolarHBondContact O-N 2.77Å; A224-M226 VanDerWaalsContact O-N 3.08Å; A224-V227 WeakPolarHBondContact O-CA 3.26Å; A224-V227 WeakPolarHBondContact O-CB 3.4Å; A224-V227 PolarHBondContact O-N 3.36Å; A224-F228 HydrophobicContact CB-CD2 4.44Å; A224-F228 HydrophobicContact CB-CE2 4.07Å; A224-F228 WeakPolarHBondContact O-CD2 3.45Å; A224-F228 PolarHBondContact O-N 3.23Å
225Q86.7Confident84.3Confident103 Ų10341.6 Ų41.648%0.48125%0.252SS..Hα-helixtrans-54.8-32.2177.9-169.160.441.200112.4S223 V227 F228 N229S223-Q225 PolarHBondContact O-N 3.36Å; S223-Q225 VanDerWaalsContact OG-CB 3.27Å; S223-Q225 WeakPolarHBondContact OG-CB 3.47Å; S223-Q225 PolarHBondContact OG-N 3.29Å; S223-Q225 VanDerWaalsContact OG-N 3.09Å; Q225-V227 VanDerWaalsContact C-N 3.32Å; Q225-V227 PolarHBondContact O-N 3.18Å; Q225-F228 PolarHBondContact O-N 3.2Å; Q225-N229 PolarHBondContact NE2-OD1 2.98Å; Q225-N229 VanDerWaalsContact O-CB 3.25Å; Q225-N229 WeakPolarHBondContact O-CB 3.27Å; Q225-N229 PolarHBondContact O-N 3.37Å; Q225-N229 PolarHBondContact O-ND2 2.83Å; Q225-N229 PolarHBondContact O-OD1 3.45Å
226M85Confident83.2Confident71 Ų7145.7 Ų45.735%0.3528%0.277SS..Hα-helixtrans-64.1-39.3175.9-172.9-86.2-121.700111.9H221 S223 A224 N229 V230H221-M226 WeakPolarHBondContact CE1-CE 3.42Å; H221-M226 PolarHBondContact CE1-SD 3.05Å; H221-M226 WeakPolarHBondContact NE2-CE 3.33Å; S223-M226 PolarHBondContact O-N 3.07Å; A224-M226 PolarHBondContact O-N 2.77Å; A224-M226 VanDerWaalsContact O-N 3.08Å; M226-N229 PolarHBondContact O-N 3.42Å; M226-V230 HydrophobicContact CG-CG2 4.21Å; M226-V230 WeakPolarHBondContact O-CB 3.32Å; M226-V230 VanDerWaalsContact O-CG2 3.26Å; M226-V230 WeakPolarHBondContact O-CG2 3.4Å; M226-V230 PolarHBondContact O-N 3.44Å; M226-V230 HydrophobicContact SD-CB 4.39Å; M226-V230 HydrophobicContact SD-CG2 3.94Å
227V85.3Confident82.1Confident0 Ų050.5 Ų50.50%030%0.302CS..Hα-helixtrans-64.4-46.7177.4-179.80000110.1L206 P212 I215 A216 A224 Q225 N229 V230 Y231L206-V227 HydrophobicContact CD1-CG1 3.97Å; L206-V227 HydrophobicContact CD2-CG1 4.11Å; L206-V227 HydrophobicContact CG-CG1 4.49Å; P212-V227 HydrophobicContact CB-CG1 4.07Å; I215-V227 HydrophobicContact CG2-CG1 4.48Å; I215-V227 HydrophobicContact CG2-CG2 4.45Å; A216-V227 HydrophobicContact CB-CG2 3.85Å; A224-V227 WeakPolarHBondContact O-CA 3.26Å; A224-V227 WeakPolarHBondContact O-CB 3.4Å; A224-V227 PolarHBondContact O-N 3.36Å; Q225-V227 VanDerWaalsContact C-N 3.32Å; Q225-V227 PolarHBondContact O-N 3.18Å; V227-N229 PolarHBondContact O-N 2.89Å; V227-V230 PolarHBondContact O-N 3.48Å; V227-Y231 HydrophobicContact CB-CD2 4.49Å; V227-Y231 HydrophobicContact CG1-CD2 4.08Å; V227-Y231 WeakPolarHBondContact O-CA 3.3Å; V227-Y231 WeakPolarHBondContact O-CB 3.4Å; V227-Y231 PolarHBondContact O-N 3.42Å
228F84.4Confident81.1Confident88 Ų8847.7 Ų47.739%0.38628%0.283SS..Hα-helixtrans-60.1-45.5175.2-67.9-75.3000112.5P212 A224 Q225 V230 G232 M235P212-F228 HydrophobicContact CB-CE1 4.12Å; P212-F228 HydrophobicContact CB-CE2 4Å; P212-F228 HydrophobicContact CB-CZ 3.71Å; P212-F228 HydrophobicContact CG-CE1 3.9Å; P212-F228 HydrophobicContact CG-CZ 3.83Å; A224-F228 HydrophobicContact CB-CD2 4.44Å; A224-F228 HydrophobicContact CB-CE2 4.07Å; A224-F228 WeakPolarHBondContact O-CD2 3.45Å; A224-F228 PolarHBondContact O-N 3.23Å; Q225-F228 PolarHBondContact O-N 3.2Å; F228-V230 PolarHBondContact O-N 3.39Å; F228-G232 VanDerWaalsContact O-CA 3.26Å; F228-G232 WeakPolarHBondContact O-CA 3.43Å; F228-G232 PolarHBondContact O-N 2.96Å; F228-M235 HydrophobicContact CD1-CE 4.13Å; F228-M235 HydrophobicContact CD1-SD 3.55Å; F228-M235 VanDerWaalsContact CD1-SD 3.55Å; F228-M235 HydrophobicContact CE1-CE 3.66Å; F228-M235 HydrophobicContact CE1-SD 3.74Å
229N84.1Confident80.1Confident91 Ų9151.4 Ų51.449%0.48730%0.303SS..Hα-helixtrans-68.7-31.4-177.1-73.6-12.3000113.7Q225 M226 V227Q225-N229 PolarHBondContact NE2-OD1 2.98Å; Q225-N229 VanDerWaalsContact O-CB 3.25Å; Q225-N229 WeakPolarHBondContact O-CB 3.27Å; Q225-N229 PolarHBondContact O-N 3.37Å; Q225-N229 PolarHBondContact O-ND2 2.83Å; Q225-N229 PolarHBondContact O-OD1 3.45Å; M226-N229 PolarHBondContact O-N 3.42Å; V227-N229 PolarHBondContact O-N 2.89Å
230V79.5Confident79.3Confident43 Ų4355.1 Ų55.126%0.26133%0.333SS..Hα-helixtrans-97.8-34.8-174.4177.40000111.3P35 M226 V227 F228P35-V230 HydrophobicContact CG-CG1 3.48Å; P35-V230 VanDerWaalsContact CG-CG1 3.48Å; P35-V230 WeakPolarHBondContact CG-O 3.48Å; M226-V230 HydrophobicContact CG-CG2 4.21Å; M226-V230 WeakPolarHBondContact O-CB 3.32Å; M226-V230 VanDerWaalsContact O-CG2 3.26Å; M226-V230 WeakPolarHBondContact O-CG2 3.4Å; M226-V230 PolarHBondContact O-N 3.44Å; M226-V230 HydrophobicContact SD-CB 4.39Å; M226-V230 HydrophobicContact SD-CG2 3.94Å; V227-V230 PolarHBondContact O-N 3.48Å; F228-V230 PolarHBondContact O-N 3.39Å
231Y83.2Confident78.5Confident4 Ų461.3 Ų61.32%0.01636%0.362CS..Hα-helixtrans-1238.5-171-50.1-74.3000114.9P35 H199 A202 C203 L206 V227 A233 W234P35-Y231 HydrophobicContact CB-CD1 4.08Å; P35-Y231 HydrophobicContact CB-CE1 3.81Å; P35-Y231 HydrophobicContact CG-CD1 3.72Å; P35-Y231 HydrophobicContact CG-CE1 3.63Å; H199-Y231 HydrophobicContact CB-CE1 4.18Å; H199-Y231 AromaticContact ND1-CE1 3.39Å; H199-Y231 WeakPolarHBondContact ND1-CE1 3.11Å; H199-Y231 AromaticContact ND1-CZ 3.43Å; H199-Y231 PolarHBondContact ND1-OH 3.4Å; A202-Y231 HydrophobicContact CB-CD1 4.1Å; A202-Y231 HydrophobicContact CB-CD2 3.84Å; A202-Y231 HydrophobicContact CB-CE1 3.67Å; A202-Y231 HydrophobicContact CB-CE2 3.4Å; A202-Y231 HydrophobicContact CB-CG 4.17Å; C203-Y231 VanDerWaalsContact SG-CD1 3.51Å; L206-Y231 HydrophobicContact CD1-CD2 4.38Å; L206-Y231 HydrophobicContact CD1-CG 4Å; V227-Y231 HydrophobicContact CB-CD2 4.49Å; V227-Y231 HydrophobicContact CG1-CD2 4.08Å; V227-Y231 WeakPolarHBondContact O-CA 3.3Å; V227-Y231 WeakPolarHBondContact O-CB 3.4Å; V227-Y231 PolarHBondContact O-N 3.42Å; Y231-A233 PolarHBondContact O-N 2.97Å; Y231-W234 AromaticContact CD1-CE3 3.93Å; Y231-W234 HydrophobicContact CD1-CE3 3.93Å; Y231-W234 AromaticContact CD1-CZ3 3.76Å; Y231-W234 HydrophobicContact CD1-CZ3 3.76Å; Y231-W234 HydrophobicContact CG-CE3 4.38Å; Y231-W234 HydrophobicContact CG-CZ3 4.46Å; Y231-W234 PolarHBondContact O-N 3.1Å
232G76.8Confident78Confident28 Ų2863.8 Ų63.829%0.28937%0.374SS..G310 helixtrans-53.6-30.8-176.100000114.5F228 W234 M235F228-G232 VanDerWaalsContact O-CA 3.26Å; F228-G232 WeakPolarHBondContact O-CA 3.43Å; F228-G232 PolarHBondContact O-N 2.96Å; G232-W234 VanDerWaalsContact C-N 3.29Å; G232-W234 PolarHBondContact O-N 3.35Å; G232-M235 WeakPolarHBondContact O-CB 3.49Å; G232-M235 PolarHBondContact O-N 2.95Å
233A77.3Confident77.8Confident77 Ų7764.5 Ų64.564%0.63636%0.364SS*.G310 helixtrans-62-30.1177.900000114Y231 M235 T236Y231-A233 PolarHBondContact O-N 2.97Å; A233-M235 VanDerWaalsContact C-N 3.35Å; A233-T236 PolarHBondContact O-OG1 2.96Å
234W75.3Confident77.6Confident54 Ų5464 Ų6421%0.20537%0.365CS..G310 helixtrans-84.9-7.5179.4-68.2-75000113.6P35 P37 C203 Y231 G232 T236P35-W234 HydrophobicContact CB-CH2 3.49Å; P35-W234 VanDerWaalsContact CB-CH2 3.49Å; P35-W234 HydrophobicContact CB-CZ2 4.45Å; P35-W234 HydrophobicContact CB-CZ3 3.81Å; P35-W234 HydrophobicContact CG-CH2 3.76Å; P35-W234 HydrophobicContact CG-CZ3 3.68Å; P35-W234 VanDerWaalsContact O-CH2 3.31Å; P35-W234 WeakPolarHBondContact O-CH2 3.41Å; P37-W234 HydrophobicContact CG-CZ2 3.98Å; C203-W234 HydrophobicContact CB-CD2 4.12Å; C203-W234 HydrophobicContact CB-CG 4.26Å; C203-W234 VanDerWaalsContact SG-CE3 3.54Å; Y231-W234 AromaticContact CD1-CE3 3.93Å; Y231-W234 HydrophobicContact CD1-CE3 3.93Å; Y231-W234 AromaticContact CD1-CZ3 3.76Å; Y231-W234 HydrophobicContact CD1-CZ3 3.76Å; Y231-W234 HydrophobicContact CG-CE3 4.38Å; Y231-W234 HydrophobicContact CG-CZ3 4.46Å; Y231-W234 PolarHBondContact O-N 3.1Å; G232-W234 VanDerWaalsContact C-N 3.29Å; G232-W234 PolarHBondContact O-N 3.35Å; W234-T236 PolarHBondContact O-N 3.42Å
235M72.9Confident77.1Confident52 Ų5267.2 Ų67.226%0.25638%0.377SS..G310 helixtrans-70.6-22.5-179.1-64.3-171.660.200112.8L206 P212 F228 G232 A233L206-M235 HydrophobicContact CD1-CG 4.48Å; L206-M235 HydrophobicContact CD2-CG 4.1Å; P212-M235 HydrophobicContact CG-CE 3.46Å; P212-M235 VanDerWaalsContact CG-CE 3.46Å; P212-M235 HydrophobicContact CG-SD 4.16Å; F228-M235 HydrophobicContact CD1-CE 4.13Å; F228-M235 HydrophobicContact CD1-SD 3.55Å; F228-M235 VanDerWaalsContact CD1-SD 3.55Å; F228-M235 HydrophobicContact CE1-CE 3.66Å; F228-M235 HydrophobicContact CE1-SD 3.74Å; G232-M235 WeakPolarHBondContact O-CB 3.49Å; G232-M235 PolarHBondContact O-N 2.95Å; A233-M235 VanDerWaalsContact C-N 3.35Å
236T70.4Confident76.7Confident86 Ų8666.3 Ų66.353%0.52838%0.375SS..G310 helixtrans-79.1-17.8-177.448.40000114A233 W234 S238 N239A233-T236 PolarHBondContact O-OG1 2.96Å; W234-T236 PolarHBondContact O-N 3.42Å; T236-S238 PolarHBondContact O-N 3.32Å; T236-N239 PolarHBondContact O-N 3.42Å
237D68.7Low76.3Confident105 Ų10567.9 Ų67.956%0.56139%0.385SS*.G310 helixtrans-64.1-28-173.4-66.7-15.4000112.4S207S207-D237 PolarHBondContact OG-OD2 3.47Å
238S67.8Low75.9Confident2 Ų275.1 Ų75.11%0.01442%0.419CS..G310 helixtrans-101.25.5-173.1-40.50000114L206 S207 T236 A240 E241 Q242L206-S238 PolarHBondContact O-OG 2.92Å; S207-S238 PolarHBondContact O-OG 3.38Å; T236-S238 PolarHBondContact O-N 3.32Å; S238-A240 VanDerWaalsContact C-N 3.26Å; S238-A240 PolarHBondContact O-N 3.13Å; S238-E241 PolarHBondContact O-N 2.84Å; S238-E241 VanDerWaalsContact O-N 3.07Å; S238-Q242 WeakPolarHBondContact O-CG 3.45Å; S238-Q242 PolarHBondContact O-N 3.19Å
239N72.9Confident75.6Confident80 Ų8077.5 Ų77.543%0.42843%0.429SS..Hα-helixtrans-56-38.9-173.4-76-8.6000113T236 Q242 I243T236-N239 PolarHBondContact O-N 3.42Å; N239-Q242 PolarHBondContact O-N 3.34Å; N239-I243 WeakPolarHBondContact O-CG1 3.24Å; N239-I243 PolarHBondContact O-N 2.83Å
240A72.4Confident75.4Confident78 Ų7877.6 Ų77.665%0.64543%0.429SS*.Hα-helixtrans-66.3-41178.500000112.6S238 I243 A244S238-A240 VanDerWaalsContact C-N 3.26Å; S238-A240 PolarHBondContact O-N 3.13Å; A240-I243 PolarHBondContact O-N 3.49Å; A240-A244 PolarHBondContact O-N 3.21Å
241E71.1Confident74.8Confident130 Ų13078.2 Ų78.261%0.60744%0.438SS*.Hα-helixtrans-69.8-36.8176.9-64.9-179.4173.800111.4S238 A244 M245S238-E241 PolarHBondContact O-N 2.84Å; S238-E241 VanDerWaalsContact O-N 3.07Å; E241-A244 WeakPolarHBondContact O-CB 3.22Å; E241-A244 PolarHBondContact O-N 3.48Å; E241-M245 WeakPolarHBondContact O-CB 3.46Å; E241-M245 PolarHBondContact O-N 3.42Å
242Q74.5Confident73.8Confident75 Ų7585 Ų8535%0.3548%0.475SS..Hα-helixtrans-62.3-42.6173.5-72-175.38.400111.5S238 N239 A244 M245 L246S238-Q242 WeakPolarHBondContact O-CG 3.45Å; S238-Q242 PolarHBondContact O-N 3.19Å; N239-Q242 PolarHBondContact O-N 3.34Å; Q242-A244 VanDerWaalsContact C-N 3.33Å; Q242-A244 PolarHBondContact O-N 3.09Å; Q242-M245 PolarHBondContact O-N 2.94Å; Q242-L246 WeakPolarHBondContact O-CB 3.38Å; Q242-L246 VanDerWaalsContact O-CG 3.24Å; Q242-L246 WeakPolarHBondContact O-CG 3.36Å; Q242-L246 PolarHBondContact O-N 3.24Å
243I76.6Confident73.2Confident100 Ų10092.4 Ų92.451%0.51350%0.495SS..Hα-helixtrans-61.6-43.5173.9-68.8167.1000110.5N239 A240 L246 N247N239-I243 WeakPolarHBondContact O-CG1 3.24Å; N239-I243 PolarHBondContact O-N 2.83Å; A240-I243 PolarHBondContact O-N 3.49Å; I243-L246 PolarHBondContact O-N 3.42Å; I243-N247 WeakPolarHBondContact O-CB 3.46Å; I243-N247 VanDerWaalsContact O-CG 3.27Å; I243-N247 PolarHBondContact O-N 2.85Å; I243-N247 PolarHBondContact O-ND2 3.47Å
244A77.3Confident72Confident57 Ų5793.5 Ų93.547%0.47149%0.494SS..Hα-helixtrans-61.4-4517700000112A240 E241 Q242 N247 Q248A240-A244 PolarHBondContact O-N 3.21Å; E241-A244 WeakPolarHBondContact O-CB 3.22Å; E241-A244 PolarHBondContact O-N 3.48Å; Q242-A244 VanDerWaalsContact C-N 3.33Å; Q242-A244 PolarHBondContact O-N 3.09Å; A244-N247 PolarHBondContact O-N 3.29Å; A244-Q248 WeakPolarHBondContact O-CB 3.49Å; A244-Q248 PolarHBondContact O-N 3.08Å
245M77.7Confident70.8Confident87 Ų8795.7 Ų95.743%0.42952%0.515SS..Hα-helixtrans-62.2-43.6175.4-178.4-166.964.800111.9E241 Q242 Q248 K249E241-M245 WeakPolarHBondContact O-CB 3.46Å; E241-M245 PolarHBondContact O-N 3.42Å; Q242-M245 PolarHBondContact O-N 2.94Å; M245-Q248 PolarHBondContact O-N 3.21Å; M245-K249 HydrophobicContact CG-CD 4.32Å; M245-K249 WeakPolarHBondContact O-CB 3.28Å; M245-K249 WeakPolarHBondContact O-CG 3.49Å; M245-K249 PolarHBondContact O-N 2.91Å
246L78.5Confident69.7Low85 Ų85102 Ų10245%0.44555%0.546SS..Hα-helixtrans-64-46.1177.6-74.2172.7000110.8Q242 I243 Q248 K249 L250Q242-L246 WeakPolarHBondContact O-CB 3.38Å; Q242-L246 VanDerWaalsContact O-CG 3.24Å; Q242-L246 WeakPolarHBondContact O-CG 3.36Å; Q242-L246 PolarHBondContact O-N 3.24Å; I243-L246 PolarHBondContact O-N 3.42Å; L246-Q248 VanDerWaalsContact C-N 3.3Å; L246-Q248 PolarHBondContact O-N 3.31Å; L246-K249 PolarHBondContact O-N 3.4Å; L246-L250 HydrophobicContact CB-CD1 4.45Å; L246-L250 HydrophobicContact CD2-CD1 4.11Å; L246-L250 WeakPolarHBondContact O-CA 3.28Å; L246-L250 WeakPolarHBondContact O-CB 2.98Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 2.93Å
247N75.9Confident68.5Low103 Ų103103.2 Ų103.255%0.55155%0.547SS*.Hα-helixtrans-59.1-43.2174.9-73.5-27000111I243 A244 A251I243-N247 WeakPolarHBondContact O-CB 3.46Å; I243-N247 VanDerWaalsContact O-CG 3.27Å; I243-N247 PolarHBondContact O-N 2.85Å; I243-N247 PolarHBondContact O-ND2 3.47Å; A244-N247 PolarHBondContact O-N 3.29Å; N247-A251 WeakPolarHBondContact O-CA 3.16Å; N247-A251 WeakPolarHBondContact O-CB 3.49Å; N247-A251 PolarHBondContact O-N 3.48Å
248Q76.4Confident67.5Low153 Ų153103.7 Ų103.772%0.71556%0.559SS**Hα-helixtrans-64-44.6178.2-173.4-176.97.300112.5A244 M245 L246A244-Q248 WeakPolarHBondContact O-CB 3.49Å; A244-Q248 PolarHBondContact O-N 3.08Å; M245-Q248 PolarHBondContact O-N 3.21Å; L246-Q248 VanDerWaalsContact C-N 3.3Å; L246-Q248 PolarHBondContact O-N 3.31Å
249K77.8Confident66.9Low137 Ų137107.7 Ų107.760%0.59658%0.577SS**Hα-helixtrans-78.6-29-177.2-73.5-171.5174-174.90113.9M245 L246M245-K249 HydrophobicContact CG-CD 4.32Å; M245-K249 WeakPolarHBondContact O-CB 3.28Å; M245-K249 WeakPolarHBondContact O-CG 3.49Å; M245-K249 PolarHBondContact O-N 2.91Å; L246-K249 PolarHBondContact O-N 3.4Å
250L80.1Confident66.4Low93 Ų93106.1 Ų106.149%0.48758%0.58SS.*Hα-helixtrans-101.3-15.1-174.6-59.8177.7000113.3L246 D252 Y253L246-L250 HydrophobicContact CB-CD1 4.45Å; L246-L250 HydrophobicContact CD2-CD1 4.11Å; L246-L250 WeakPolarHBondContact O-CA 3.28Å; L246-L250 WeakPolarHBondContact O-CB 2.98Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 2.93Å; L250-D252 PolarHBondContact O-N 2.83Å; L250-Y253 HydrophobicContact CD2-CD2 4.27Å; L250-Y253 PolarHBondContact O-N 3.33Å
251A66.3Low66.2Low56 Ų56109.7 Ų109.746%0.46358%0.583SS.*G310 helixtrans-55.3-38.3177.600000112.2N247 Y253 V254N247-A251 WeakPolarHBondContact O-CA 3.16Å; N247-A251 WeakPolarHBondContact O-CB 3.49Å; N247-A251 PolarHBondContact O-N 3.48Å; A251-Y253 PolarHBondContact O-N 2.9Å; A251-V254 PolarHBondContact O-N 2.8Å; A251-V254 VanDerWaalsContact O-N 3.15Å
252D64Low66.4Low146 Ų146109.3 Ų109.378%0.78158%0.581SS**G310 helixtrans-65.2-23.6179.7-61.9-16.2000113L250L250-D252 PolarHBondContact O-N 2.83Å
253Y62.3Low66.5Low185 Ų185108.7 Ų108.773%0.72558%0.579SS**G310 helixtrans-90.4-5.4178.9-65.3-82.7000113.4L250 A251 P255L250-Y253 HydrophobicContact CD2-CD2 4.27Å; L250-Y253 PolarHBondContact O-N 3.33Å; A251-Y253 PolarHBondContact O-N 2.9Å; Y253-P255 WeakPolarHBondContact O-CD 3.35Å; Y253-P255 VanDerWaalsContact O-N 3.15Å
254V52.9Low66.4Low99 Ų99107.4 Ų107.460%0.658%0.576SS**SBendtrans-72.2109.6174.6-177.20000106.3A251 M256A251-V254 PolarHBondContact O-N 2.8Å; A251-V254 VanDerWaalsContact O-N 3.15Å; V254-M256 PolarHBondContact O-N 3.43Å
255P49.5Very low66.7Low101 Ų101108.4 Ų108.466%0.65657%0.571SS**  trans-55.4130.7175.523.4-31.7000107.2Y253 M257Y253-P255 WeakPolarHBondContact O-CD 3.35Å; Y253-P255 VanDerWaalsContact O-N 3.15Å; P255-M257 VanDerWaalsContact C-N 3.28Å; P255-M257 PolarHBondContact O-N 3.27Å
256M49.9Very low66.9Low185 Ų185109 Ų10991%0.91157%0.571SS**  trans-55.1102.5168.5-78.8-152.6-86.200106.2V254 S258V254-M256 PolarHBondContact O-N 3.43Å; M256-S258 PolarHBondContact O-N 3.06Å; M256-S258 VanDerWaalsContact O-N 3.12Å
257M46.8Very low67.2Low110 Ų110105.2 Ų105.254%0.54255%0.551SS.*  trans-58125.6-179.9-78.8-172.77700106.4P255 H259P255-M257 VanDerWaalsContact C-N 3.28Å; P255-M257 PolarHBondContact O-N 3.27Å; M257-H259 WeakPolarHBondContact CB-CE1 3.5Å; M257-H259 WeakPolarHBondContact CB-ND1 3.47Å; M257-H259 PolarHBondContact O-N 2.99Å; M257-H259 PolarHBondContact SD-CE1 3.09Å
258S46.3Very low67.6Low115 Ų115104.4 Ų104.480%0.80455%0.551SS**  trans-68.972.5170.1540000108.4M256 G260M256-S258 PolarHBondContact O-N 3.06Å; M256-S258 VanDerWaalsContact O-N 3.12Å; S258-G260 PolarHBondContact O-N 3.24Å
259H56.2Low68.1Low86 Ų86105.7 Ų105.740%0.39855%0.549SS..THydrogen-bonded Turntrans-64.4-7.3-175.4-70.7-45.2000113.4M257 H261 Q262 M263M257-H259 WeakPolarHBondContact CB-CE1 3.5Å; M257-H259 WeakPolarHBondContact CB-ND1 3.47Å; M257-H259 PolarHBondContact O-N 2.99Å; M257-H259 PolarHBondContact SD-CE1 3.09Å; H259-H261 VanDerWaalsContact C-N 3.34Å; H259-H261 PolarHBondContact O-N 3.47Å; H259-Q262 PolarHBondContact O-N 3.41Å; H259-M263 WeakPolarHBondContact O-CB 3.41Å; H259-M263 PolarHBondContact O-N 2.93Å
260G61.4Low68.5Low48 Ų48101.6 Ų101.650%0.49553%0.532SS..Hα-helixtrans-48.9-50.3-177.300000113.2S258 T264S258-G260 PolarHBondContact O-N 3.24Å; G260-T264 VanDerWaalsContact O-CB 3.23Å; G260-T264 WeakPolarHBondContact O-CB 3.27Å; G260-T264 PolarHBondContact O-N 3.25Å; G260-T264 PolarHBondContact O-OG1 3.2Å
261H69.4Low68.7Low153 Ų15399.2 Ų99.271%0.70852%0.523SS*.Hα-helixtrans-74.2-49.9-175.1-158.395000112.8H259 T264 E265H259-H261 VanDerWaalsContact C-N 3.34Å; H259-H261 PolarHBondContact O-N 3.47Å; H261-T264 PolarHBondContact O-N 2.93Å; H261-E265 WeakPolarHBondContact O-CB 3.19Å; H261-E265 PolarHBondContact O-N 3.02Å
262Q73.7Confident69.6Low121 Ų121101.5 Ų101.557%0.56553%0.534SS*.Hα-helixtrans-68.4-37.3-177.4-69.8179.3-11.600112.8H259 E265 F266H259-Q262 PolarHBondContact O-N 3.41Å; Q262-E265 PolarHBondContact O-N 3.42Å; Q262-F266 WeakPolarHBondContact O-CB 3.47Å; Q262-F266 PolarHBondContact O-N 2.82Å
263M76.6Confident70.4Confident62 Ų6298.4 Ų98.431%0.30552%0.517SS..Hα-helixtrans-66.3-44.6175.7-175.262.766.800110.5H259 E265 F266 L267 F299 L303H259-M263 WeakPolarHBondContact O-CB 3.41Å; H259-M263 PolarHBondContact O-N 2.93Å; M263-E265 VanDerWaalsContact C-N 3.35Å; M263-F266 PolarHBondContact O-N 2.97Å; M263-L267 HydrophobicContact CG-CD1 3.93Å; M263-L267 HydrophobicContact CG-CG 4.46Å; M263-L267 WeakPolarHBondContact O-CB 3.49Å; M263-L267 WeakPolarHBondContact O-CG 3.33Å; M263-L267 PolarHBondContact O-N 2.89Å; M263-L267 HydrophobicContact SD-CD1 4.1Å; M263-L267 HydrophobicContact SD-CG 4.25Å; M263-F299 HydrophobicContact CE-CE2 4.13Å; M263-F299 HydrophobicContact CE-CZ 4.08Å; M263-L303 HydrophobicContact CG-CD2 4.27Å
264T76.4Confident71.2Confident73 Ų7390.4 Ų90.445%0.44849%0.489SS..Hα-helixtrans-61.1-46.2176.1-57.70000110.3G260 H261 F266 L267 T268G260-T264 VanDerWaalsContact O-CB 3.23Å; G260-T264 WeakPolarHBondContact O-CB 3.27Å; G260-T264 PolarHBondContact O-N 3.25Å; G260-T264 PolarHBondContact O-OG1 3.2Å; H261-T264 PolarHBondContact O-N 2.93Å; T264-F266 PolarHBondContact O-N 3.01Å; T264-L267 PolarHBondContact O-N 3.02Å; T264-T268 VanDerWaalsContact O-CB 3.31Å; T264-T268 WeakPolarHBondContact O-CB 3.26Å; T264-T268 PolarHBondContact O-N 3.26Å; T264-T268 PolarHBondContact O-OG1 2.84Å
265E82Confident72.4Confident79 Ų7991 Ų9137%0.36950%0.495SS..Hα-helixtrans-60-44.7177.1-169.6-176176.700112.3H261 Q262 M263 T268 R269H261-E265 WeakPolarHBondContact O-CB 3.19Å; H261-E265 PolarHBondContact O-N 3.02Å; Q262-E265 PolarHBondContact O-N 3.42Å; M263-E265 VanDerWaalsContact C-N 3.35Å; E265-T268 PolarHBondContact O-N 3.47Å; E265-R269 WeakPolarHBondContact O-CB 3.2Å; E265-R269 VanDerWaalsContact O-CG 3.3Å; E265-R269 WeakPolarHBondContact O-CG 3.27Å; E265-R269 PolarHBondContact O-N 2.62Å; E265-R269 IonicContact OE1-CZ 3.77Å; E265-R269 IonicContact OE1-NE 3.84Å; E265-R269 PolarHBondContact OE1-NE 3.18Å; E265-R269 IonicContact OE1-NH2 3.87Å; E265-R269 PolarHBondContact OE1-NH2 2.81Å
266F83.4Confident73.8Confident99 Ų9993.5 Ų93.543%0.43449%0.491SS..Hα-helixtrans-59.4-50.2175.7172.1-100.1000111.6Q262 M263 T264 T268 R269 M270 Y280Q262-F266 WeakPolarHBondContact O-CB 3.47Å; Q262-F266 PolarHBondContact O-N 2.82Å; M263-F266 PolarHBondContact O-N 2.97Å; T264-F266 PolarHBondContact O-N 3.01Å; F266-T268 PolarHBondContact O-N 3.29Å; F266-R269 PolarHBondContact O-N 2.95Å; F266-M270 HydrophobicContact CD1-CG 4.47Å; F266-M270 HydrophobicContact CD2-CG 4.31Å; F266-M270 HydrophobicContact CE1-CG 4.08Å; F266-M270 HydrophobicContact CE2-CG 3.92Å; F266-M270 HydrophobicContact CE2-SD 4.28Å; F266-M270 HydrophobicContact CZ-CG 3.79Å; F266-M270 HydrophobicContact CZ-SD 4.39Å; F266-M270 VanDerWaalsContact O-CG 3.25Å; F266-M270 WeakPolarHBondContact O-CG 3.17Å; F266-M270 PolarHBondContact O-N 3.31Å; F266-Y280 HydrophobicContact CE1-CE1 4.15Å; F266-Y280 HydrophobicContact CZ-CE1 4.43Å
267L83.8Confident75Confident5 Ų586.2 Ų86.23%0.02646%0.455CS..Hα-helixtrans-67.3-37.1-178.1-67.4174.5000111.8M263 T264 M270 S271 Y280 L303 P304 F307M263-L267 HydrophobicContact CG-CD1 3.93Å; M263-L267 HydrophobicContact CG-CG 4.46Å; M263-L267 WeakPolarHBondContact O-CB 3.49Å; M263-L267 WeakPolarHBondContact O-CG 3.33Å; M263-L267 PolarHBondContact O-N 2.89Å; M263-L267 HydrophobicContact SD-CD1 4.1Å; M263-L267 HydrophobicContact SD-CG 4.25Å; T264-L267 PolarHBondContact O-N 3.02Å; L267-M270 CarbonylContact O-C 3.55Å; L267-M270 PolarHBondContact O-N 3.41Å; L267-M270 VanDerWaalsContact O-N 3.15Å; L267-S271 PolarHBondContact O-N 2.95Å; L267-Y280 HydrophobicContact CD2-CD2 4.3Å; L267-Y280 HydrophobicContact CD2-CE2 3.98Å; L267-L303 HydrophobicContact CD1-CD2 3.87Å; L267-P304 HydrophobicContact CB-CG 4.2Å; L267-P304 VanDerWaalsContact CD1-CD 3.49Å; L267-P304 HydrophobicContact CD1-CG 4.01Å; L267-F307 HydrophobicContact CB-CE2 4.07Å; L267-F307 HydrophobicContact CD2-CD2 4.36Å; L267-F307 HydrophobicContact CD2-CE2 4.15Å
268T85.4Confident76.4Confident87 Ų8782.1 Ų82.153%0.53444%0.442SS..Hα-helixtrans-61.1-43.5172.3-62.60000111.5T264 E265 F266 M270 S271T264-T268 VanDerWaalsContact O-CB 3.31Å; T264-T268 WeakPolarHBondContact O-CB 3.26Å; T264-T268 PolarHBondContact O-N 3.26Å; T264-T268 PolarHBondContact O-OG1 2.84Å; E265-T268 PolarHBondContact O-N 3.47Å; F266-T268 PolarHBondContact O-N 3.29Å; T268-M270 VanDerWaalsContact C-N 3.25Å; T268-M270 PolarHBondContact O-N 2.72Å; T268-S271 PolarHBondContact O-N 3.47Å; T268-S271 PolarHBondContact O-OG 2.87Å
269R86.8Confident78.2Confident180 Ų18077.6 Ų77.668%0.67941%0.408SS*.Hα-helixtrans-66.3-27.8175.7-71.3177.2-175.6-144.54.9112.7E265 F266 P272E265-R269 WeakPolarHBondContact O-CB 3.2Å; E265-R269 VanDerWaalsContact O-CG 3.3Å; E265-R269 WeakPolarHBondContact O-CG 3.27Å; E265-R269 PolarHBondContact O-N 2.62Å; E265-R269 IonicContact OE1-CZ 3.77Å; E265-R269 IonicContact OE1-NE 3.84Å; E265-R269 PolarHBondContact OE1-NE 3.18Å; E265-R269 IonicContact OE1-NH2 3.87Å; E265-R269 PolarHBondContact OE1-NH2 2.81Å; F266-R269 PolarHBondContact O-N 2.95Å; R269-P272 WeakPolarHBondContact O-CD 3.23Å
270M84.4Confident79.6Confident50 Ų5075.9 Ų75.925%0.24640%0.398CS..Hα-helixtrans-88.5-9.5178.5-64.3-62.1-61.800113.7F266 L267 T268 P272 L273 A274 I277 Y280 F307F266-M270 HydrophobicContact CD1-CG 4.47Å; F266-M270 HydrophobicContact CD2-CG 4.31Å; F266-M270 HydrophobicContact CE1-CG 4.08Å; F266-M270 HydrophobicContact CE2-CG 3.92Å; F266-M270 HydrophobicContact CE2-SD 4.28Å; F266-M270 HydrophobicContact CZ-CG 3.79Å; F266-M270 HydrophobicContact CZ-SD 4.39Å; F266-M270 VanDerWaalsContact O-CG 3.25Å; F266-M270 WeakPolarHBondContact O-CG 3.17Å; F266-M270 PolarHBondContact O-N 3.31Å; L267-M270 CarbonylContact O-C 3.55Å; L267-M270 PolarHBondContact O-N 3.41Å; L267-M270 VanDerWaalsContact O-N 3.15Å; T268-M270 VanDerWaalsContact C-N 3.25Å; T268-M270 PolarHBondContact O-N 2.72Å; M270-P272 VanDerWaalsContact C-N 3.34Å; M270-L273 HydrophobicContact CE-CD1 3.77Å; M270-L273 WeakPolarHBondContact O-CA 3.36Å; M270-L273 WeakPolarHBondContact O-CB 3.45Å; M270-L273 PolarHBondContact O-N 3.35Å; M270-L273 HydrophobicContact SD-CD1 4.48Å; M270-A274 PolarHBondContact O-N 3.3Å; M270-I277 HydrophobicContact CB-CD1 4.32Å; M270-I277 HydrophobicContact CE-CD1 3.51Å; M270-Y280 VanDerWaalsContact CB-OH 3.26Å; M270-Y280 WeakPolarHBondContact CB-OH 3.41Å; M270-Y280 WeakPolarHBondContact CG-OH 3.32Å; M270-F307 HydrophobicContact CB-CZ 4.42Å
271S84.6Confident80.7Confident43 Ų4379 Ų7930%0.30140%0.395SS..G310 helixtrans-56.3-35.7-177.776.50000114.2L267 T268 L273 A274L267-S271 PolarHBondContact O-N 2.95Å; T268-S271 PolarHBondContact O-N 3.47Å; T268-S271 PolarHBondContact O-OG 2.87Å; S271-L273 PolarHBondContact O-N 3.44Å; S271-L273 VanDerWaalsContact O-N 3.08Å; S271-A274 WeakPolarHBondContact O-CB 3.39Å; S271-A274 PolarHBondContact O-N 3.17Å
272P85Confident81.6Confident105 Ų10574.3 Ų74.368%0.68238%0.375SS*.G310 helixtrans-62.7-21.8176-22.435.5000113.4R269 M270R269-P272 WeakPolarHBondContact O-CD 3.23Å; M270-P272 VanDerWaalsContact C-N 3.34Å
273L82.3Confident82.3Confident80 Ų8072.4 Ų72.442%0.41937%0.366SS..G310 helixtrans-94.9-4.1177.6-65.7174.7000112.6M270 S271 P275 R276 I277M270-L273 HydrophobicContact CE-CD1 3.77Å; M270-L273 WeakPolarHBondContact O-CA 3.36Å; M270-L273 WeakPolarHBondContact O-CB 3.45Å; M270-L273 PolarHBondContact O-N 3.35Å; M270-L273 HydrophobicContact SD-CD1 4.48Å; S271-L273 PolarHBondContact O-N 3.44Å; S271-L273 VanDerWaalsContact O-N 3.08Å; L273-P275 VanDerWaalsContact C-N 3.32Å; L273-P275 VanDerWaalsContact O-N 3.16Å; L273-R276 CarbonylContact O-C 3.5Å; L273-R276 WeakPolarHBondContact O-CA 3.37Å; L273-R276 PolarHBondContact O-N 3.29Å; L273-I277 HydrophobicContact CB-CD1 3.64Å; L273-I277 HydrophobicContact CB-CG1 3.92Å; L273-I277 VanDerWaalsContact O-CG1 3.32Å; L273-I277 WeakPolarHBondContact O-CG1 3.42Å; L273-I277 PolarHBondContact O-N 3.24Å
274A77.8Confident82.9Confident17 Ų1770 Ų7014%0.1436%0.355CS..THydrogen-bonded Turntrans-48.7-42.5-177.200000114.4M270 S271 R276 I277 F307M270-A274 PolarHBondContact O-N 3.3Å; S271-A274 WeakPolarHBondContact O-CB 3.39Å; S271-A274 PolarHBondContact O-N 3.17Å; A274-R276 PolarHBondContact O-N 2.86Å; A274-I277 PolarHBondContact O-N 3.31Å; A274-F307 HydrophobicContact CB-CD1 3.87Å; A274-F307 HydrophobicContact CB-CE1 3.49Å; A274-F307 VanDerWaalsContact CB-CE1 3.49Å; A274-F307 HydrophobicContact CB-CZ 4.19Å
275P78.3Confident83.2Confident111 Ų11169.8 Ų69.872%0.72135%0.354SS*.THydrogen-bonded Turntrans-63.6-29.6177.3-20.633000113.1L273L273-P275 VanDerWaalsContact C-N 3.32Å; L273-P275 VanDerWaalsContact O-N 3.16Å
276R78.9Confident83.2Confident155 Ų15568.7 Ų68.759%0.58536%0.359SS*.THydrogen-bonded Turntrans-92-21.8-179-62.1-176.1176.7-169-1112.5L273 A274 G278 F422L273-R276 CarbonylContact O-C 3.5Å; L273-R276 WeakPolarHBondContact O-CA 3.37Å; L273-R276 PolarHBondContact O-N 3.29Å; A274-R276 PolarHBondContact O-N 2.86Å; R276-G278 PolarHBondContact O-N 2.8Å; R276-F422 WeakPolarHBondContact O-CZ 3.49Å
277I76.2Confident83.1Confident31 Ų3169.5 Ų69.516%0.15937%0.372CS..  trans-82.8116.5-175.7-69.2173.5000111.2M270 L273 A274 Y280 F307 R415M270-I277 HydrophobicContact CB-CD1 4.32Å; M270-I277 HydrophobicContact CE-CD1 3.51Å; L273-I277 HydrophobicContact CB-CD1 3.64Å; L273-I277 HydrophobicContact CB-CG1 3.92Å; L273-I277 VanDerWaalsContact O-CG1 3.32Å; L273-I277 WeakPolarHBondContact O-CG1 3.42Å; L273-I277 PolarHBondContact O-N 3.24Å; A274-I277 PolarHBondContact O-N 3.31Å; I277-Y280 HydrophobicContact CD1-CE2 4.28Å; I277-Y280 WeakPolarHBondContact CD1-OH 3.33Å; I277-Y280 HydrophobicContact CG2-CD2 4.23Å; I277-Y280 HydrophobicContact CG2-CE1 4.33Å; I277-Y280 HydrophobicContact CG2-CE2 3.8Å; I277-F307 HydrophobicContact CD1-CE1 4.47Å; I277-R415 PolarHBondContact O-NH1 3.25Å; I277-R415 PolarHBondContact O-NH2 2.84Å
278G76.1Confident83.4Confident25 Ų2571 Ų7126%0.25838%0.379SS..  trans-32.2-82.9173.600000116.9R276 R415R276-G278 PolarHBondContact O-N 2.8Å; G278-R415 VanDerWaalsContact C-NE 3.28Å; G278-R415 VanDerWaalsContact C-NH2 3.31Å; G278-R415 VanDerWaalsContact CA-CD 3.44Å; G278-R415 VanDerWaalsContact CA-NH1 3.26Å; G278-R415 PolarHBondContact O-NE 3.12Å; G278-R415 PolarHBondContact O-NH2 3.29Å
279Q82.8Confident83.6Confident20 Ų2067 Ų679%0.09336%0.355CS..  trans-169.1134.3-173.9-178.7-179.8-0.600103.4N308 Y309 N338 N377Q279-N308 CarbonylContact C-O 3.6Å; Q279-N308 WeakPolarHBondContact CA-O 3.46Å; Q279-N308 HydrophobicContact CB-CB 4.29Å; Q279-N308 HydrophobicContact CG-CB 4.15Å; Q279-N308 VanDerWaalsContact CG-O 3.26Å; Q279-N308 WeakPolarHBondContact CG-O 3.44Å; Q279-Y309 PolarHBondContact NE2-O 3.35Å; Q279-N338 PolarHBondContact NE2-ND2 3.04Å; Q279-N377 PolarHBondContact OE1-O 3.48Å
280Y85.7Confident83.8Confident50 Ų5059.7 Ų59.720%0.19633%0.33CS..EExtended strand (participates in β ladder)trans-82.5128.9165.1-72.2-69.9000107.6F266 L267 M270 I277 F307 N308 Y309 G310F266-Y280 HydrophobicContact CE1-CE1 4.15Å; F266-Y280 HydrophobicContact CZ-CE1 4.43Å; L267-Y280 HydrophobicContact CD2-CD2 4.3Å; L267-Y280 HydrophobicContact CD2-CE2 3.98Å; M270-Y280 VanDerWaalsContact CB-OH 3.26Å; M270-Y280 WeakPolarHBondContact CB-OH 3.41Å; M270-Y280 WeakPolarHBondContact CG-OH 3.32Å; I277-Y280 HydrophobicContact CD1-CE2 4.28Å; I277-Y280 WeakPolarHBondContact CD1-OH 3.33Å; I277-Y280 HydrophobicContact CG2-CD2 4.23Å; I277-Y280 HydrophobicContact CG2-CE1 4.33Å; I277-Y280 HydrophobicContact CG2-CE2 3.8Å; Y280-F307 HydrophobicContact CD2-CB 3.94Å; Y280-F307 AromaticContact CD2-CD1 3.95Å; Y280-F307 HydrophobicContact CD2-CD1 3.95Å; Y280-F307 AromaticContact CD2-CG 3.96Å; Y280-F307 HydrophobicContact CD2-CG 3.96Å; Y280-F307 HydrophobicContact CE2-CB 4.3Å; Y280-F307 AromaticContact CE2-CD1 3.44Å; Y280-F307 HydrophobicContact CE2-CD1 3.44Å; Y280-F307 VanDerWaalsContact CE2-CD1 3.44Å; Y280-F307 HydrophobicContact CE2-CD2 4.44Å; Y280-F307 AromaticContact CE2-CE1 3.71Å; Y280-F307 HydrophobicContact CE2-CE1 3.71Å; Y280-F307 AromaticContact CE2-CG 3.82Å; Y280-F307 HydrophobicContact CE2-CG 3.82Å; Y280-F307 HydrophobicContact CE2-CZ 4.32Å; Y280-N308 PolarHBondContact N-O 2.87Å; Y280-Y309 HydrophobicContact CD2-CE1 4.27Å; Y280-Y309 CarbonylContact O-C 3.36Å; Y280-Y309 WeakPolarHBondContact O-CA 3.49Å; Y280-G310 PolarHBondContact O-N 2.89Å
281W86.1Confident84Confident112 Ų11268.3 Ų68.342%0.42436%0.36SS..EExtended strand (participates in β ladder)trans-119.1138.3171.979.889.4000111.4G310 V340 L379W281-G310 CarbonylContact C-O 3.53Å; W281-G310 WeakPolarHBondContact CA-O 3.36Å; W281-V340 HydrophobicContact CB-CG2 4.1Å; W281-V340 HydrophobicContact CG-CG2 4.39Å; W281-L379 HydrophobicContact CB-CD2 3.96Å; W281-L379 HydrophobicContact CD2-CD2 4.02Å; W281-L379 HydrophobicContact CE3-CD2 4.06Å; W281-L379 HydrophobicContact CG-CD2 3.97Å
282L88.3Confident84.3Confident56 Ų5669.8 Ų69.829%0.29336%0.362SS..EExtended strand (participates in β ladder)trans-91.4118.1174.2-17665.9000108.7L284 L296 F299 G310 V311 E312L282-L284 HydrophobicContact CD2-CD2 3.73Å; L282-L284 HydrophobicContact CD2-CG 4.36Å; L282-L284 HydrophobicContact CG-CD2 3.89Å; L282-L284 HydrophobicContact CG-CG 4.33Å; L282-L296 HydrophobicContact CD2-CD1 3.63Å; L282-F299 HydrophobicContact CD1-CE1 4.44Å; L282-F299 HydrophobicContact CD2-CD1 3.96Å; L282-F299 HydrophobicContact CD2-CE1 3.86Å; L282-G310 PolarHBondContact N-O 3.38Å; L282-V311 HydrophobicContact CB-CG2 4.46Å; L282-V311 WeakPolarHBondContact O-CA 3.48Å; L282-E312 PolarHBondContact O-N 3.32Å
283Q88.3Confident84.7Confident80 Ų8065.1 Ų65.137%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-97.8102.2177.9-169.2-161.7-81.800110.4E312 R314Q283-E312 HydrophobicContact CG-CB 4.28Å; Q283-E312 HydrophobicContact CG-CG 4.4Å; Q283-E312 WeakPolarHBondContact CG-OE1 3.43Å; Q283-R314 VanDerWaalsContact OE1-NH2 3.11Å
284L88.4Confident85.1Confident13 Ų1365.6 Ų65.67%0.06834%0.339CS..  trans-80.6141.6-177.5-62173.7000111.4L282 F288 L296 V311 E312 V313 R314L282-L284 HydrophobicContact CD2-CD2 3.73Å; L282-L284 HydrophobicContact CD2-CG 4.36Å; L282-L284 HydrophobicContact CG-CD2 3.89Å; L282-L284 HydrophobicContact CG-CG 4.33Å; L284-F288 HydrophobicContact CB-CB 4.1Å; L284-F288 HydrophobicContact CB-CG 4.24Å; L284-F288 HydrophobicContact CD1-CD1 3.77Å; L284-F288 HydrophobicContact CD1-CE1 3.91Å; L284-F288 HydrophobicContact CD1-CG 4.16Å; L284-F288 HydrophobicContact CD1-CZ 4.41Å; L284-F288 HydrophobicContact CD2-CD2 3.98Å; L284-F288 HydrophobicContact CD2-CE2 4.18Å; L284-F288 HydrophobicContact CD2-CG 4.16Å; L284-F288 HydrophobicContact CG-CG 4.42Å; L284-L296 HydrophobicContact CD1-CD1 4.27Å; L284-L296 HydrophobicContact CD1-CD2 4.02Å; L284-V311 HydrophobicContact CD1-CG1 3.63Å; L284-V311 HydrophobicContact CG-CG1 4.24Å; L284-E312 PolarHBondContact N-O 2.93Å; L284-V313 HydrophobicContact CD1-CG1 4.14Å; L284-R314 WeakPolarHBondContact O-CD 3.09Å
285P83.3Confident85.5Confident67 Ų6767.6 Ų67.644%0.43536%0.356SS..  trans-69.3165177.430.4-35.2000111.4T287 F288P285-T287 PolarHBondContact O-N 3.45Å; P285-F288 HydrophobicContact CG-CB 4.1Å; P285-F288 PolarHBondContact O-N 3.08Å; P285-F288 VanDerWaalsContact O-N 3.13Å
286A81.8Confident86.2Confident56 Ų5662.5 Ų62.546%0.46332%0.322SS..THydrogen-bonded Turntrans-66.4-15.6177.200000113.4R314 H315A286-R314 HydrophobicContact CB-CB 4.17Å; A286-H315 PolarHBondContact O-CD2 3.35Å
287T81.8Confident86.9Confident116 Ų11656.9 Ų56.971%0.71230%0.301SS*.THydrogen-bonded Turntrans-82-15.7174.950.60000113.4P285 G289P285-T287 PolarHBondContact O-N 3.45Å; T287-G289 PolarHBondContact O-N 2.92Å
288F88.2Confident87.4Confident38 Ų3862.4 Ų62.417%0.16733%0.326CS..  trans-79.6101.5177.3-167.5-73.8000109.1L284 P285 E292 L296 H315 F318L284-F288 HydrophobicContact CB-CB 4.1Å; L284-F288 HydrophobicContact CB-CG 4.24Å; L284-F288 HydrophobicContact CD1-CD1 3.77Å; L284-F288 HydrophobicContact CD1-CE1 3.91Å; L284-F288 HydrophobicContact CD1-CG 4.16Å; L284-F288 HydrophobicContact CD1-CZ 4.41Å; L284-F288 HydrophobicContact CD2-CD2 3.98Å; L284-F288 HydrophobicContact CD2-CE2 4.18Å; L284-F288 HydrophobicContact CD2-CG 4.16Å; L284-F288 HydrophobicContact CG-CG 4.42Å; P285-F288 HydrophobicContact CG-CB 4.1Å; P285-F288 PolarHBondContact O-N 3.08Å; P285-F288 VanDerWaalsContact O-N 3.13Å; F288-E292 HydrophobicContact CD1-CB 3.99Å; F288-E292 HydrophobicContact CD2-CB 3.93Å; F288-E292 HydrophobicContact CD2-CG 4.4Å; F288-E292 HydrophobicContact CE1-CB 3.59Å; F288-E292 HydrophobicContact CE2-CB 3.53Å; F288-E292 HydrophobicContact CE2-CG 4.37Å; F288-E292 HydrophobicContact CG-CB 4.15Å; F288-E292 HydrophobicContact CZ-CB 3.33Å; F288-E292 VanDerWaalsContact CZ-O 3.28Å; F288-E292 WeakPolarHBondContact CZ-O 3.39Å; F288-L296 HydrophobicContact CE1-CB 4.22Å; F288-L296 HydrophobicContact CZ-CB 3.79Å; F288-H315 WeakPolarHBondContact O-CB 3.43Å; F288-F318 WeakPolarHBondContact O-CE2 3.21Å
289G89.6Confident88Confident3 Ų363.6 Ų63.63%0.03132%0.324CS..  trans-100.7-165.9-176.800000113.8T287 R291 E292 F318T287-G289 PolarHBondContact O-N 2.92Å; G289-R291 VanDerWaalsContact C-N 3.27Å; G289-R291 PolarHBondContact O-N 3.31Å; G289-E292 WeakPolarHBondContact CA-OE2 3.34Å; G289-E292 PolarHBondContact N-OE2 3.37Å; G289-E292 PolarHBondContact O-N 2.78Å; G289-F318 VanDerWaalsContact O-CZ 3.3Å; G289-F318 WeakPolarHBondContact O-CZ 3.46Å
290P91.2Very high88.4Confident26 Ų2663.3 Ų63.317%0.16932%0.323CS..G310 helixtrans-65.8-25.7179.2-24.136.2000114.2E292 L293 Q317 F318 E324P290-E292 PolarHBondContact O-N 3.17Å; P290-L293 WeakPolarHBondContact O-CB 3.26Å; P290-L293 WeakPolarHBondContact O-CG 3.25Å; P290-L293 PolarHBondContact O-N 2.84Å; P290-Q317 HydrophobicContact CG-CB 3.89Å; P290-Q317 VanDerWaalsContact CG-OE1 3.32Å; P290-F318 HydrophobicContact CB-CE1 4.17Å; P290-F318 HydrophobicContact CB-CZ 4.49Å; P290-F318 HydrophobicContact CG-CD1 4.47Å; P290-F318 HydrophobicContact CG-CE1 3.89Å; P290-F318 HydrophobicContact CG-CZ 4.23Å; P290-E324 HydrophobicContact CB-CB 3.92Å; P290-E324 HydrophobicContact CB-CG 3.87Å; P290-E324 HydrophobicContact CG-CB 3.62Å; P290-E324 HydrophobicContact CG-CG 3.7Å
291R90.1Very high88.6Confident230 Ų23065.6 Ų65.687%0.86834%0.339SS*.G310 helixtrans-67.7-26.5-178.7-67.8-177.7177.6-177.2-1.2112.2G289 P294G289-R291 VanDerWaalsContact C-N 3.27Å; G289-R291 PolarHBondContact O-N 3.31Å; R291-P294 WeakPolarHBondContact O-CD 3.26Å
292E90.7Very high88.6Confident75 Ų7563.6 Ų63.635%0.3534%0.342SS..G310 helixtrans-90.4-4.9-176.4-6076.9-17200112.8F288 G289 P290 P294 A295 L296F288-E292 HydrophobicContact CD1-CB 3.99Å; F288-E292 HydrophobicContact CD2-CB 3.93Å; F288-E292 HydrophobicContact CD2-CG 4.4Å; F288-E292 HydrophobicContact CE1-CB 3.59Å; F288-E292 HydrophobicContact CE2-CB 3.53Å; F288-E292 HydrophobicContact CE2-CG 4.37Å; F288-E292 HydrophobicContact CG-CB 4.15Å; F288-E292 HydrophobicContact CZ-CB 3.33Å; F288-E292 VanDerWaalsContact CZ-O 3.28Å; F288-E292 WeakPolarHBondContact CZ-O 3.39Å; G289-E292 WeakPolarHBondContact CA-OE2 3.34Å; G289-E292 PolarHBondContact N-OE2 3.37Å; G289-E292 PolarHBondContact O-N 2.78Å; P290-E292 PolarHBondContact O-N 3.17Å; E292-P294 VanDerWaalsContact C-CD 3.43Å; E292-P294 VanDerWaalsContact C-N 3.34Å; E292-A295 WeakPolarHBondContact O-CB 3.49Å; E292-A295 PolarHBondContact O-N 2.66Å; E292-L296 PolarHBondContact O-N 3.18Å
293L92.6Very high88.5Confident7 Ų762.1 Ų62.14%0.03733%0.334CS..Hα-helixtrans-51.6-41.4179.5-72.6178.1000114.2P290 A295 L296 W297 F318 T327 L328P290-L293 WeakPolarHBondContact O-CB 3.26Å; P290-L293 WeakPolarHBondContact O-CG 3.25Å; P290-L293 PolarHBondContact O-N 2.84Å; L293-A295 VanDerWaalsContact C-N 3.25Å; L293-A295 PolarHBondContact O-N 3.3Å; L293-L296 HydrophobicContact CD2-CD2 4.24Å; L293-L296 WeakPolarHBondContact O-CB 3.25Å; L293-L296 PolarHBondContact O-N 3.36Å; L293-L296 VanDerWaalsContact O-N 3.09Å; L293-W297 HydrophobicContact CB-CZ2 4.22Å; L293-W297 HydrophobicContact CD1-CZ2 4.37Å; L293-W297 HydrophobicContact CD2-CH2 4.27Å; L293-W297 HydrophobicContact CD2-CZ2 3.85Å; L293-W297 HydrophobicContact CG-CZ2 4.38Å; L293-W297 PolarHBondContact O-N 3.02Å; L293-W297 PolarHBondContact O-NE1 3.05Å; L293-F318 HydrophobicContact CD1-CE1 4.1Å; L293-F318 HydrophobicContact CD2-CE1 3.98Å; L293-F318 HydrophobicContact CD2-CZ 3.78Å; L293-F318 HydrophobicContact CG-CE1 4.2Å; L293-F318 HydrophobicContact CG-CZ 4.12Å; L293-T327 HydrophobicContact CD1-CG2 3.86Å; L293-L328 HydrophobicContact CD2-CB 4.41Å; L293-L328 HydrophobicContact CD2-CD1 3.79Å
294P90.2Very high88.4Confident90 Ų9060.2 Ų60.258%0.58433%0.329SS*.Hα-helixtrans-56.3-37.1175.5-26.536.4000113.9R291 E292 W297 H298R291-P294 WeakPolarHBondContact O-CD 3.26Å; E292-P294 VanDerWaalsContact C-CD 3.43Å; E292-P294 VanDerWaalsContact C-N 3.34Å; P294-W297 PolarHBondContact O-N 2.89Å; P294-H298 PolarHBondContact O-N 3.2Å
295A87.6Confident88.2Confident58 Ų5863.6 Ų63.648%0.47937%0.367SS..Hα-helixtrans-70.6-37.7176.900000111.7E292 L293 W297 H298 F299E292-A295 WeakPolarHBondContact O-CB 3.49Å; E292-A295 PolarHBondContact O-N 2.66Å; L293-A295 VanDerWaalsContact C-N 3.25Å; L293-A295 PolarHBondContact O-N 3.3Å; A295-W297 VanDerWaalsContact C-N 3.34Å; A295-H298 PolarHBondContact O-N 2.85Å; A295-F299 WeakPolarHBondContact O-CB 3.47Å; A295-F299 PolarHBondContact O-N 3.44Å
296L92.2Very high88.2Confident5 Ų566.9 Ų66.93%0.02638%0.376CS..Hα-helixtrans-61.5-43.3172.7177.263.2000111.3L282 L284 F288 E292 L293 F299 L300 V311 L328L282-L296 HydrophobicContact CD2-CD1 3.63Å; L284-L296 HydrophobicContact CD1-CD1 4.27Å; L284-L296 HydrophobicContact CD1-CD2 4.02Å; F288-L296 HydrophobicContact CE1-CB 4.22Å; F288-L296 HydrophobicContact CZ-CB 3.79Å; E292-L296 PolarHBondContact O-N 3.18Å; L293-L296 HydrophobicContact CD2-CD2 4.24Å; L293-L296 WeakPolarHBondContact O-CB 3.25Å; L293-L296 PolarHBondContact O-N 3.36Å; L293-L296 VanDerWaalsContact O-N 3.09Å; L296-F299 PolarHBondContact O-N 2.86Å; L296-L300 HydrophobicContact CD1-CD1 3.94Å; L296-L300 HydrophobicContact CD1-CD2 4.45Å; L296-L300 HydrophobicContact CD1-CG 3.96Å; L296-L300 HydrophobicContact CD2-CD1 4.49Å; L296-L300 HydrophobicContact CG-CD1 3.87Å; L296-L300 HydrophobicContact CG-CG 4.28Å; L296-L300 WeakPolarHBondContact O-CB 3.33Å; L296-L300 VanDerWaalsContact O-CG 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.27Å; L296-L300 PolarHBondContact O-N 2.85Å; L296-V311 HydrophobicContact CD1-CG2 4.35Å; L296-V311 HydrophobicContact CD2-CG1 4.24Å; L296-L328 HydrophobicContact CD2-CD1 4.3Å
297W93.3Very high88.4Confident36 Ų3664.9 Ų64.914%0.13636%0.357CS..Hα-helixtrans-60.8-50.6177.7-58.4147.4000111.8L293 P294 A295 F299 L300 D301 L328 L332L293-W297 HydrophobicContact CB-CZ2 4.22Å; L293-W297 HydrophobicContact CD1-CZ2 4.37Å; L293-W297 HydrophobicContact CD2-CH2 4.27Å; L293-W297 HydrophobicContact CD2-CZ2 3.85Å; L293-W297 HydrophobicContact CG-CZ2 4.38Å; L293-W297 PolarHBondContact O-N 3.02Å; L293-W297 PolarHBondContact O-NE1 3.05Å; P294-W297 PolarHBondContact O-N 2.89Å; A295-W297 VanDerWaalsContact C-N 3.34Å; W297-F299 VanDerWaalsContact C-N 3.28Å; W297-F299 PolarHBondContact O-N 3.35Å; W297-L300 HydrophobicContact CE3-CD1 4.05Å; W297-L300 HydrophobicContact CZ3-CD1 4.05Å; W297-L300 PolarHBondContact O-N 3.29Å; W297-D301 WeakPolarHBondContact O-CB 3.43Å; W297-D301 PolarHBondContact O-N 3.17Å; W297-D301 VanDerWaalsContact O-OD2 3.11Å; W297-L328 HydrophobicContact CH2-CD1 4.16Å; W297-L332 HydrophobicContact CH2-CG 4.25Å; W297-L332 HydrophobicContact CZ3-CD2 4.02Å; W297-L332 HydrophobicContact CZ3-CG 4.21Å
298H88.1Confident88.7Confident147 Ų14761.5 Ų61.568%0.68134%0.335SS*.Hα-helixtrans-57.9-41.7177.1-17364.5000112.4P294 A295 S302P294-H298 PolarHBondContact O-N 3.2Å; A295-H298 PolarHBondContact O-N 2.85Å; H298-S302 PolarHBondContact O-N 2.98Å
299F88.4Confident88.8Confident50 Ų5060.9 Ų60.922%0.21933%0.332CS..Hα-helixtrans-62.5-51.6174.9175.9-102.3000112.3M263 L282 A295 L296 W297 D301 S302 L303M263-F299 HydrophobicContact CE-CE2 4.13Å; M263-F299 HydrophobicContact CE-CZ 4.08Å; L282-F299 HydrophobicContact CD1-CE1 4.44Å; L282-F299 HydrophobicContact CD2-CD1 3.96Å; L282-F299 HydrophobicContact CD2-CE1 3.86Å; A295-F299 WeakPolarHBondContact O-CB 3.47Å; A295-F299 PolarHBondContact O-N 3.44Å; L296-F299 PolarHBondContact O-N 2.86Å; W297-F299 VanDerWaalsContact C-N 3.28Å; W297-F299 PolarHBondContact O-N 3.35Å; F299-D301 VanDerWaalsContact C-N 3.3Å; F299-D301 PolarHBondContact O-N 3.4Å; F299-S302 PolarHBondContact O-N 2.75Å; F299-S302 VanDerWaalsContact O-N 3.14Å; F299-S302 PolarHBondContact O-OG 2.88Å; F299-L303 HydrophobicContact CD1-CD1 4.41Å; F299-L303 HydrophobicContact CE1-CD1 3.94Å; F299-L303 HydrophobicContact CE1-CD2 4.28Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CE2-CD2 4.35Å; F299-L303 HydrophobicContact CZ-CD1 4.43Å; F299-L303 HydrophobicContact CZ-CD2 3.95Å
300L90.7Very high88.9Confident14 Ų1460.9 Ų60.97%0.07333%0.331CS..Hα-helixtrans-62.6-37-179.1-68.5175.3000112.2L296 W297 S302 L303 V311 L332 V337L296-L300 HydrophobicContact CD1-CD1 3.94Å; L296-L300 HydrophobicContact CD1-CD2 4.45Å; L296-L300 HydrophobicContact CD1-CG 3.96Å; L296-L300 HydrophobicContact CD2-CD1 4.49Å; L296-L300 HydrophobicContact CG-CD1 3.87Å; L296-L300 HydrophobicContact CG-CG 4.28Å; L296-L300 WeakPolarHBondContact O-CB 3.33Å; L296-L300 VanDerWaalsContact O-CG 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.27Å; L296-L300 PolarHBondContact O-N 2.85Å; W297-L300 HydrophobicContact CE3-CD1 4.05Å; W297-L300 HydrophobicContact CZ3-CD1 4.05Å; W297-L300 PolarHBondContact O-N 3.29Å; L300-S302 PolarHBondContact O-N 3.03Å; L300-L303 HydrophobicContact CD2-CD1 3.88Å; L300-L303 WeakPolarHBondContact O-CB 3.39Å; L300-L303 PolarHBondContact O-N 3.44Å; L300-V311 HydrophobicContact CD1-CG2 4.18Å; L300-V311 HydrophobicContact CD2-CG2 4.21Å; L300-L332 HydrophobicContact CD1-CD2 3.98Å; L300-V337 HydrophobicContact CD1-CG1 4.42Å; L300-V337 HydrophobicContact CD1-CG2 4.29Å; L300-V337 HydrophobicContact CD2-CG1 4.38Å; L300-V337 HydrophobicContact CD2-CG2 4.36Å
301D89.9Confident89Confident98 Ų9859.6 Ų59.652%0.52432%0.323SS..Hα-helixtrans-69.3-19.7178.8-66-23.3000112.4W297 F299 R335W297-D301 WeakPolarHBondContact O-CB 3.43Å; W297-D301 PolarHBondContact O-N 3.17Å; W297-D301 VanDerWaalsContact O-OD2 3.11Å; F299-D301 VanDerWaalsContact C-N 3.3Å; F299-D301 PolarHBondContact O-N 3.4Å; D301-R335 WeakPolarHBondContact OD1-CD 3.47Å; D301-R335 IonicContact OD1-CZ 3.19Å; D301-R335 IonicContact OD1-NE 3.54Å; D301-R335 PolarHBondContact OD1-NE 2.84Å; D301-R335 IonicContact OD1-NH2 3.18Å; D301-R335 PolarHBondContact OD1-NH2 2.98Å; D301-R335 IonicContact OD2-CZ 2.99Å; D301-R335 IonicContact OD2-NE 2.71Å; D301-R335 PolarHBondContact OD2-NE 3.08Å; D301-R335 IonicContact OD2-NH2 3.59Å; D301-R335 PolarHBondContact OD2-NH2 3.44Å
302S85.8Confident89.1Confident70 Ų7048.7 Ų48.749%0.4928%0.282SS..THydrogen-bonded Turntrans-86.5-6.1175.474.70000114.7H298 F299 L300H298-S302 PolarHBondContact O-N 2.98Å; F299-S302 PolarHBondContact O-N 2.75Å; F299-S302 VanDerWaalsContact O-N 3.14Å; F299-S302 PolarHBondContact O-OG 2.88Å; L300-S302 PolarHBondContact O-N 3.03Å
303L86.8Confident89.1Confident25 Ų2545.2 Ų45.213%0.13127%0.266CS..SBendtrans-81.7143-176-65.4175.3000111.5M263 L267 F299 L300 Y309M263-L303 HydrophobicContact CG-CD2 4.27Å; L267-L303 HydrophobicContact CD1-CD2 3.87Å; F299-L303 HydrophobicContact CD1-CD1 4.41Å; F299-L303 HydrophobicContact CE1-CD1 3.94Å; F299-L303 HydrophobicContact CE1-CD2 4.28Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CE2-CD2 4.35Å; F299-L303 HydrophobicContact CZ-CD1 4.43Å; F299-L303 HydrophobicContact CZ-CD2 3.95Å; L300-L303 HydrophobicContact CD2-CD1 3.88Å; L300-L303 WeakPolarHBondContact O-CB 3.39Å; L300-L303 PolarHBondContact O-N 3.44Å; L303-Y309 HydrophobicContact CB-CD2 4.46Å; L303-Y309 HydrophobicContact CB-CE1 4.25Å; L303-Y309 HydrophobicContact CB-CE2 3.76Å; L303-Y309 HydrophobicContact CD1-CD1 3.75Å; L303-Y309 HydrophobicContact CD1-CD2 4.25Å; L303-Y309 HydrophobicContact CD1-CE1 3.72Å; L303-Y309 HydrophobicContact CD1-CE2 4.22Å; L303-Y309 HydrophobicContact CD1-CG 4.02Å; L303-Y309 HydrophobicContact CD2-CE1 4.5Å; L303-Y309 HydrophobicContact CG-CE1 4.38Å
304P85.3Confident89Confident40 Ų4047 Ų4726%0.2627%0.272SS..  trans-59.4134.5174.4-21.431.2000112.9L267 E306 F307 Y309L267-P304 HydrophobicContact CB-CG 4.2Å; L267-P304 VanDerWaalsContact CD1-CD 3.49Å; L267-P304 HydrophobicContact CD1-CG 4.01Å; P304-E306 PolarHBondContact O-N 2.87Å; P304-E306 VanDerWaalsContact O-N 3.09Å; P304-F307 HydrophobicContact CB-CD2 4.38Å; P304-Y309 VanDerWaalsContact O-CE2 3.29Å; P304-Y309 WeakPolarHBondContact O-CE2 3.4Å; P304-Y309 PolarHBondContact O-OH 3.29Å
305G84.4Confident88.9Confident84 Ų8444.6 Ų44.687%0.86625%0.253SS*.THydrogen-bonded Turntrans-69-5.1179.900000115.8F307G305-F307 VanDerWaalsContact C-N 3.3Å; G305-F307 PolarHBondContact O-N 3.47Å
306E84.2Confident89Confident136 Ų13646 Ų4664%0.63626%0.257SS*.THydrogen-bonded Turntrans-72.7-20.6-177.8-61.9178.4-156.200113.5P304P304-E306 PolarHBondContact O-N 2.87Å; P304-E306 VanDerWaalsContact O-N 3.09Å
307F86.2Confident88.9Confident15 Ų1549.6 Ų49.67%0.06627%0.274CS..SBendtrans-108.4157.9-177.3-55.1-82000112.4L267 M270 A274 I277 Y280 P304 G305 Y309L267-F307 HydrophobicContact CB-CE2 4.07Å; L267-F307 HydrophobicContact CD2-CD2 4.36Å; L267-F307 HydrophobicContact CD2-CE2 4.15Å; M270-F307 HydrophobicContact CB-CZ 4.42Å; A274-F307 HydrophobicContact CB-CD1 3.87Å; A274-F307 HydrophobicContact CB-CE1 3.49Å; A274-F307 VanDerWaalsContact CB-CE1 3.49Å; A274-F307 HydrophobicContact CB-CZ 4.19Å; I277-F307 HydrophobicContact CD1-CE1 4.47Å; Y280-F307 HydrophobicContact CD2-CB 3.94Å; Y280-F307 AromaticContact CD2-CD1 3.95Å; Y280-F307 HydrophobicContact CD2-CD1 3.95Å; Y280-F307 AromaticContact CD2-CG 3.96Å; Y280-F307 HydrophobicContact CD2-CG 3.96Å; Y280-F307 HydrophobicContact CE2-CB 4.3Å; Y280-F307 AromaticContact CE2-CD1 3.44Å; Y280-F307 HydrophobicContact CE2-CD1 3.44Å; Y280-F307 VanDerWaalsContact CE2-CD1 3.44Å; Y280-F307 HydrophobicContact CE2-CD2 4.44Å; Y280-F307 AromaticContact CE2-CE1 3.71Å; Y280-F307 HydrophobicContact CE2-CE1 3.71Å; Y280-F307 AromaticContact CE2-CG 3.82Å; Y280-F307 HydrophobicContact CE2-CG 3.82Å; Y280-F307 HydrophobicContact CE2-CZ 4.32Å; P304-F307 HydrophobicContact CB-CD2 4.38Å; G305-F307 VanDerWaalsContact C-N 3.3Å; G305-F307 PolarHBondContact O-N 3.47Å; F307-Y309 HydrophobicContact CB-CE1 4.08Å; F307-Y309 HydrophobicContact CB-CE2 4.13Å; F307-Y309 WeakPolarHBondContact CD2-OH 3.34Å; F307-Y309 WeakPolarHBondContact O-CE2 3.43Å
308N87.2Confident88.9Confident45 Ų4547.9 Ų47.924%0.24127%0.267CS..  trans-90.5134.9170.3-70.3-73.1000109.9Q279 Y280 N377Q279-N308 CarbonylContact C-O 3.6Å; Q279-N308 WeakPolarHBondContact CA-O 3.46Å; Q279-N308 HydrophobicContact CB-CB 4.29Å; Q279-N308 HydrophobicContact CG-CB 4.15Å; Q279-N308 VanDerWaalsContact CG-O 3.26Å; Q279-N308 WeakPolarHBondContact CG-O 3.44Å; Y280-N308 PolarHBondContact N-O 2.87Å; N308-N377 PolarHBondContact OD1-ND2 3.44Å
309Y90.8Very high89Confident25 Ų2541.8 Ų41.810%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-115.6151.5-177.9-60.1-71.8000113.6Q279 Y280 L303 P304 F307 N338Q279-Y309 PolarHBondContact NE2-O 3.35Å; Y280-Y309 HydrophobicContact CD2-CE1 4.27Å; Y280-Y309 CarbonylContact O-C 3.36Å; Y280-Y309 WeakPolarHBondContact O-CA 3.49Å; L303-Y309 HydrophobicContact CB-CD2 4.46Å; L303-Y309 HydrophobicContact CB-CE1 4.25Å; L303-Y309 HydrophobicContact CB-CE2 3.76Å; L303-Y309 HydrophobicContact CD1-CD1 3.75Å; L303-Y309 HydrophobicContact CD1-CD2 4.25Å; L303-Y309 HydrophobicContact CD1-CE1 3.72Å; L303-Y309 HydrophobicContact CD1-CE2 4.22Å; L303-Y309 HydrophobicContact CD1-CG 4.02Å; L303-Y309 HydrophobicContact CD2-CE1 4.5Å; L303-Y309 HydrophobicContact CG-CE1 4.38Å; P304-Y309 VanDerWaalsContact O-CE2 3.29Å; P304-Y309 WeakPolarHBondContact O-CE2 3.4Å; P304-Y309 PolarHBondContact O-OH 3.29Å; F307-Y309 HydrophobicContact CB-CE1 4.08Å; F307-Y309 HydrophobicContact CB-CE2 4.13Å; F307-Y309 WeakPolarHBondContact CD2-OH 3.34Å; F307-Y309 WeakPolarHBondContact O-CE2 3.43Å; Y309-N338 PolarHBondContact O-N 3Å; Y309-N338 PolarHBondContact O-ND2 3.12Å; Y309-N338 VanDerWaalsContact O-ND2 3.08Å
310G91.3Very high89Confident2 Ų242.6 Ų42.62%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-137.1154.417200000112.9Y280 W281 L282 N338Y280-G310 PolarHBondContact O-N 2.89Å; W281-G310 CarbonylContact C-O 3.53Å; W281-G310 WeakPolarHBondContact CA-O 3.36Å; L282-G310 PolarHBondContact N-O 3.38Å; G310-N338 CarbonylContact C-O 3.53Å; G310-N338 WeakPolarHBondContact CA-O 3.42Å
311V93.1Very high88.8Confident0 Ų049.6 Ų49.60%029%0.285CS..EExtended strand (participates in β ladder)trans-128.5121.5175.5177.60000109.8L282 L284 L296 L300 V313 L332 V337 N338 V340L282-V311 HydrophobicContact CB-CG2 4.46Å; L282-V311 WeakPolarHBondContact O-CA 3.48Å; L284-V311 HydrophobicContact CD1-CG1 3.63Å; L284-V311 HydrophobicContact CG-CG1 4.24Å; L296-V311 HydrophobicContact CD1-CG2 4.35Å; L296-V311 HydrophobicContact CD2-CG1 4.24Å; L300-V311 HydrophobicContact CD1-CG2 4.18Å; L300-V311 HydrophobicContact CD2-CG2 4.21Å; V311-V313 HydrophobicContact CG1-CG1 4.06Å; V311-L332 HydrophobicContact CB-CD1 4.42Å; V311-L332 HydrophobicContact CB-CD2 3.94Å; V311-L332 HydrophobicContact CG2-CD2 3.72Å; V311-V337 HydrophobicContact CG2-CG1 3.84Å; V311-N338 PolarHBondContact N-O 3.46Å; V311-V340 PolarHBondContact O-N 3.36Å
312E91.9Very high88.8Confident0 Ų046 Ų460%027%0.271CS..EExtended strand (participates in β ladder)trans-98.8113.9170-175.9-173.3120.100109.1L282 Q283 L284 R314 V340 R381L282-E312 PolarHBondContact O-N 3.32Å; Q283-E312 HydrophobicContact CG-CB 4.28Å; Q283-E312 HydrophobicContact CG-CG 4.4Å; Q283-E312 WeakPolarHBondContact CG-OE1 3.43Å; L284-E312 PolarHBondContact N-O 2.93Å; E312-R314 IonicContact OE1-CZ 2.69Å; E312-R314 VanDerWaalsContact OE1-CZ 3.26Å; E312-R314 IonicContact OE1-NE 3.56Å; E312-R314 PolarHBondContact OE1-NE 2.94Å; E312-R314 IonicContact OE1-NH2 3.47Å; E312-R314 PolarHBondContact OE1-NH2 3.16Å; E312-V340 HydrophobicContact CB-CB 3.73Å; E312-V340 HydrophobicContact CB-CG1 4.12Å; E312-V340 HydrophobicContact CB-CG2 3.98Å; E312-V340 HydrophobicContact CG-CB 4.23Å; E312-V340 HydrophobicContact CG-CG1 4.24Å; E312-R381 IonicContact OE1-NH1 3.45Å; E312-R381 PolarHBondContact OE1-NH1 3.46Å; E312-R381 WeakPolarHBondContact OE2-CD 3.4Å; E312-R381 IonicContact OE2-CZ 2.79Å; E312-R381 IonicContact OE2-NE 3.45Å; E312-R381 IonicContact OE2-NH1 3.73Å; E312-R381 PolarHBondContact OE2-NH1 2.99Å
313V91.6Very high89.1Confident3 Ų349.9 Ų49.92%0.01828%0.281CS..  trans-96.2151.2173.8-67.10000111.3L284 V311 F318 F319 L328L284-V313 HydrophobicContact CD1-CG1 4.14Å; V311-V313 HydrophobicContact CG1-CG1 4.06Å; V313-F318 HydrophobicContact CB-CB 4.34Å; V313-F318 HydrophobicContact CB-CD2 3.72Å; V313-F318 HydrophobicContact CB-CE2 4.38Å; V313-F318 HydrophobicContact CB-CG 4.33Å; V313-F318 HydrophobicContact CG1-CD2 3.87Å; V313-F318 HydrophobicContact CG1-CE2 4.11Å; V313-F318 HydrophobicContact CG1-CG 4.48Å; V313-F318 HydrophobicContact CG2-CB 3.89Å; V313-F318 HydrophobicContact CG2-CD2 4.22Å; V313-F318 HydrophobicContact CG2-CG 4.35Å; V313-F319 HydrophobicContact CG2-CE2 4.14Å; V313-F319 HydrophobicContact CG2-CZ 3.98Å; V313-F319 WeakPolarHBondContact O-CZ 3.08Å; V313-L328 HydrophobicContact CB-CD2 4.26Å; V313-L328 HydrophobicContact CG1-CD1 4.04Å; V313-L328 HydrophobicContact CG1-CD2 3.65Å; V313-L328 HydrophobicContact CG2-CD2 3.76Å
314R89.6Confident89.4Confident44 Ų4451.9 Ų51.917%0.16629%0.29CS..  trans-131.2-9.8-180-65.3-177.9174.9-175.8-1.6114.4Q283 L284 A286 E312 P365 R381Q283-R314 VanDerWaalsContact OE1-NH2 3.11Å; L284-R314 WeakPolarHBondContact O-CD 3.09Å; A286-R314 HydrophobicContact CB-CB 4.17Å; E312-R314 IonicContact OE1-CZ 2.69Å; E312-R314 VanDerWaalsContact OE1-CZ 3.26Å; E312-R314 IonicContact OE1-NE 3.56Å; E312-R314 PolarHBondContact OE1-NE 2.94Å; E312-R314 IonicContact OE1-NH2 3.47Å; E312-R314 PolarHBondContact OE1-NH2 3.16Å; R314-P365 HydrophobicContact CG-CG 4.23Å; R314-R381 VanDerWaalsContact NH2-NH1 3.16Å
315H89.2Confident89.8Confident39 Ų3950.5 Ų50.518%0.18128%0.28CS..  trans-72.3130.6-177.9-170-77.1000110.9A286 F288 Q317 F318 F319A286-H315 PolarHBondContact O-CD2 3.35Å; F288-H315 WeakPolarHBondContact O-CB 3.43Å; H315-Q317 VanDerWaalsContact C-N 3.27Å; H315-Q317 PolarHBondContact CE1-OE1 3.26Å; H315-Q317 PolarHBondContact ND1-N 2.63Å; H315-Q317 PolarHBondContact O-N 2.92Å; H315-Q317 VanDerWaalsContact O-N 3.14Å; H315-F318 HydrophobicContact CB-CD2 3.78Å; H315-F318 HydrophobicContact CB-CE2 4.05Å; H315-F318 PolarHBondContact O-N 2.85Å; H315-F319 WeakPolarHBondContact O-CD2 3.33Å
316P88.7Confident90.2Very high88 Ų8851.7 Ų51.757%0.57126%0.263SS*.G310 helixtrans-53.6-36-173.8-29.535.4000115.3F318 F319 A320P316-F318 PolarHBondContact O-N 2.85Å; P316-F319 PolarHBondContact O-N 2.85Å; P316-A320 PolarHBondContact O-N 2.84Å
317Q90.6Very high90.7Very high80 Ų8047.8 Ų47.837%0.37425%0.249SC..G310 helixtrans-60.2-28.6178.9-71.6-179.3-56.500113.7P290 H315 F319 A320P290-Q317 HydrophobicContact CG-CB 3.89Å; P290-Q317 VanDerWaalsContact CG-OE1 3.32Å; H315-Q317 VanDerWaalsContact C-N 3.27Å; H315-Q317 PolarHBondContact CE1-OE1 3.26Å; H315-Q317 PolarHBondContact ND1-N 2.63Å; H315-Q317 PolarHBondContact O-N 2.92Å; H315-Q317 VanDerWaalsContact O-N 3.14Å; Q317-F319 PolarHBondContact O-N 3.34Å; Q317-A320 PolarHBondContact O-N 3.2Å
318F92.7Very high91.1Very high0 Ų047 Ų470%025%0.245CC..G310 helixtrans-75.2-1.3175.7-62.6-48.4000114.1F288 G289 P290 L293 V313 H315 P316 E325 L328 R339F288-F318 WeakPolarHBondContact O-CE2 3.21Å; G289-F318 VanDerWaalsContact O-CZ 3.3Å; G289-F318 WeakPolarHBondContact O-CZ 3.46Å; P290-F318 HydrophobicContact CB-CE1 4.17Å; P290-F318 HydrophobicContact CB-CZ 4.49Å; P290-F318 HydrophobicContact CG-CD1 4.47Å; P290-F318 HydrophobicContact CG-CE1 3.89Å; P290-F318 HydrophobicContact CG-CZ 4.23Å; L293-F318 HydrophobicContact CD1-CE1 4.1Å; L293-F318 HydrophobicContact CD2-CE1 3.98Å; L293-F318 HydrophobicContact CD2-CZ 3.78Å; L293-F318 HydrophobicContact CG-CE1 4.2Å; L293-F318 HydrophobicContact CG-CZ 4.12Å; V313-F318 HydrophobicContact CB-CB 4.34Å; V313-F318 HydrophobicContact CB-CD2 3.72Å; V313-F318 HydrophobicContact CB-CE2 4.38Å; V313-F318 HydrophobicContact CB-CG 4.33Å; V313-F318 HydrophobicContact CG1-CD2 3.87Å; V313-F318 HydrophobicContact CG1-CE2 4.11Å; V313-F318 HydrophobicContact CG1-CG 4.48Å; V313-F318 HydrophobicContact CG2-CB 3.89Å; V313-F318 HydrophobicContact CG2-CD2 4.22Å; V313-F318 HydrophobicContact CG2-CG 4.35Å; H315-F318 HydrophobicContact CB-CD2 3.78Å; H315-F318 HydrophobicContact CB-CE2 4.05Å; H315-F318 PolarHBondContact O-N 2.85Å; P316-F318 PolarHBondContact O-N 2.85Å; F318-E325 WeakPolarHBondContact O-CG 3.08Å; F318-L328 HydrophobicContact CB-CD2 3.98Å; F318-L328 HydrophobicContact CD1-CB 4.02Å; F318-L328 HydrophobicContact CD1-CD2 3.84Å; F318-L328 HydrophobicContact CD1-CG 4.46Å; F318-L328 HydrophobicContact CD2-CD2 4.42Å; F318-L328 HydrophobicContact CE1-CB 4.13Å; F318-L328 HydrophobicContact CE1-CD2 4.4Å; F318-L328 HydrophobicContact CG-CD2 3.85Å; F318-R339 PolarHBondContact O-NH2 3.29Å
319F91.1Very high91.4Very high20 Ų2046.2 Ų46.29%0.08824%0.241CC..G310 helixtrans-119.75175.8-56.8-91.8000112.1V313 H315 P316 Q317 K321 V367 P368 H370V313-F319 HydrophobicContact CG2-CE2 4.14Å; V313-F319 HydrophobicContact CG2-CZ 3.98Å; V313-F319 WeakPolarHBondContact O-CZ 3.08Å; H315-F319 WeakPolarHBondContact O-CD2 3.33Å; P316-F319 PolarHBondContact O-N 2.85Å; Q317-F319 PolarHBondContact O-N 3.34Å; F319-K321 VanDerWaalsContact C-N 3.27Å; F319-K321 PolarHBondContact O-N 2.89Å; F319-V367 HydrophobicContact CD1-CB 4.04Å; F319-V367 HydrophobicContact CD1-CG2 4.48Å; F319-V367 HydrophobicContact CD2-CB 3.94Å; F319-V367 HydrophobicContact CD2-CG1 3.85Å; F319-V367 HydrophobicContact CE1-CB 3.89Å; F319-V367 HydrophobicContact CE1-CG2 3.86Å; F319-V367 HydrophobicContact CE2-CB 3.81Å; F319-V367 HydrophobicContact CE2-CG1 3.68Å; F319-V367 HydrophobicContact CE2-CG2 4.13Å; F319-V367 HydrophobicContact CG-CB 4.06Å; F319-V367 HydrophobicContact CG-CG1 4.43Å; F319-V367 HydrophobicContact CZ-CB 3.78Å; F319-V367 HydrophobicContact CZ-CG1 4.11Å; F319-V367 HydrophobicContact CZ-CG2 3.66Å; F319-P368 HydrophobicContact CB-CG 4.09Å; F319-P368 VanDerWaalsContact CD1-O 3.25Å; F319-P368 WeakPolarHBondContact CD1-O 3.49Å; F319-P368 WeakPolarHBondContact CE1-O 3.35Å; F319-H370 PolarHBondContact O-CE1 3.29Å
320A87.9Confident91.6Very high67 Ų6752 Ų5255%0.55426%0.263SS*.SBendtrans-82.3-0.6-177.500000113.3P316 Q317 G322P316-A320 PolarHBondContact O-N 2.84Å; Q317-A320 PolarHBondContact O-N 3.2Å; A320-G322 PolarHBondContact O-N 2.94Å; A320-G322 VanDerWaalsContact O-N 3.1Å
321K86.2Confident91.8Very high161 Ų16152.2 Ų52.270%0.726%0.264SS*.SBendtrans56.418.1-173.3-56-177.9178.8179.30114.5F319 E325F319-K321 VanDerWaalsContact C-N 3.27Å; F319-K321 PolarHBondContact O-N 2.89Å; K321-E325 VanDerWaalsContact CA-OE2 3.23Å; K321-E325 WeakPolarHBondContact CA-OE2 3.22Å; K321-E325 PolarHBondContact N-OE2 3.36Å
322G90.1Very high91.9Very high23 Ų2352.2 Ų52.224%0.23726%0.264CS..SBendtrans-82.7-171.3175.600000113.4A320 E324 E325 Q326A320-G322 PolarHBondContact O-N 2.94Å; A320-G322 VanDerWaalsContact O-N 3.1Å; G322-E324 PolarHBondContact O-N 2.86Å; G322-E325 PolarHBondContact O-N 3.25Å; G322-Q326 WeakPolarHBondContact O-CG 3.49Å; G322-Q326 PolarHBondContact O-N 2.87Å
323E92.9Very high92Very high150 Ų15058.2 Ų58.270%0.70129%0.292SS*.Hα-helixtrans-60.7-32.5178.1-171.9178-177.600112Q326 T327E323-Q326 PolarHBondContact O-N 3.4Å; E323-T327 WeakPolarHBondContact O-CB 3.47Å; E323-T327 PolarHBondContact O-N 3.11Å; E323-T327 PolarHBondContact O-OG1 3.39Å
324E93Very high92.1Very high68 Ų6864.6 Ų64.632%0.31832%0.322SS..Hα-helixtrans-67.1-40.2-178.1-55.391.1156.400111.9P290 G322 L328P290-E324 HydrophobicContact CB-CB 3.92Å; P290-E324 HydrophobicContact CB-CG 3.87Å; P290-E324 HydrophobicContact CG-CB 3.62Å; P290-E324 HydrophobicContact CG-CG 3.7Å; G322-E324 PolarHBondContact O-N 2.86Å; E324-L328 PolarHBondContact O-N 3.05Å; E324-L328 VanDerWaalsContact O-N 3.12Å
325E93.5Very high92.3Very high10 Ų1066 Ų665%0.04733%0.327CS..Hα-helixtrans-68.7-41.6173.8173.2163.4-160.300111.5F318 K321 G322 T327 L328 N329 R339 H370F318-E325 WeakPolarHBondContact O-CG 3.08Å; K321-E325 VanDerWaalsContact CA-OE2 3.23Å; K321-E325 WeakPolarHBondContact CA-OE2 3.22Å; K321-E325 PolarHBondContact N-OE2 3.36Å; G322-E325 PolarHBondContact O-N 3.25Å; E325-T327 VanDerWaalsContact C-N 3.31Å; E325-T327 PolarHBondContact O-N 3.2Å; E325-L328 PolarHBondContact O-N 3.09Å; E325-N329 WeakPolarHBondContact O-CB 3.4Å; E325-N329 VanDerWaalsContact O-CG 3.3Å; E325-N329 PolarHBondContact O-N 3.38Å; E325-N329 PolarHBondContact O-ND2 3.37Å; E325-R339 IonicContact OE1-CZ 3.72Å; E325-R339 IonicContact OE1-NH1 2.71Å; E325-R339 PolarHBondContact OE1-NH1 3.1Å; E325-R339 IonicContact OE1-NH2 2.95Å; E325-R339 PolarHBondContact OE1-NH2 3.16Å; E325-H370 VanDerWaalsContact CD-ND1 3.31Å; E325-H370 IonicContact OE1-CE1 3Å; E325-H370 IonicContact OE1-CG 2.74Å; E325-H370 IonicContact OE1-ND1 3.68Å; E325-H370 PolarHBondContact OE1-ND1 2.68Å; E325-H370 IonicContact OE2-CE1 3.66Å; E325-H370 PolarHBondContact OE2-CE1 3.12Å; E325-H370 IonicContact OE2-ND1 3.79Å; E325-H370 PolarHBondContact OE2-ND1 3.14Å
326Q92.6Very high92.4Very high109 Ų10966.3 Ų66.351%0.50934%0.341SS..Hα-helixtrans-63.5-40.3177.7-66.8-179.527.300111.5G322 E323 N329 R330G322-Q326 WeakPolarHBondContact O-CG 3.49Å; G322-Q326 PolarHBondContact O-N 2.87Å; E323-Q326 PolarHBondContact O-N 3.4Å; Q326-N329 PolarHBondContact O-N 3.22Å; Q326-R330 VanDerWaalsContact O-CB 3.26Å; Q326-R330 WeakPolarHBondContact O-CB 3.29Å; Q326-R330 PolarHBondContact O-N 2.98Å
327T94.5Very high92.6Very high54 Ų5462.4 Ų62.433%0.33132%0.315SS..Hα-helixtrans-62.9-45.5177.2-59.10000111L293 E323 E325 G331L293-T327 HydrophobicContact CD1-CG2 3.86Å; E323-T327 WeakPolarHBondContact O-CB 3.47Å; E323-T327 PolarHBondContact O-N 3.11Å; E323-T327 PolarHBondContact O-OG1 3.39Å; E325-T327 VanDerWaalsContact C-N 3.31Å; E325-T327 PolarHBondContact O-N 3.2Å; T327-G331 PolarHBondContact O-N 3.32Å
328L95.5Very high92.6Very high0 Ų058.6 Ų58.60%030%0.298CS..Hα-helixtrans-58-52.6172.9173.672.1000111.4L293 L296 W297 V313 F318 E324 E325 R330 G331 L332L293-L328 HydrophobicContact CD2-CB 4.41Å; L293-L328 HydrophobicContact CD2-CD1 3.79Å; L296-L328 HydrophobicContact CD2-CD1 4.3Å; W297-L328 HydrophobicContact CH2-CD1 4.16Å; V313-L328 HydrophobicContact CB-CD2 4.26Å; V313-L328 HydrophobicContact CG1-CD1 4.04Å; V313-L328 HydrophobicContact CG1-CD2 3.65Å; V313-L328 HydrophobicContact CG2-CD2 3.76Å; F318-L328 HydrophobicContact CB-CD2 3.98Å; F318-L328 HydrophobicContact CD1-CB 4.02Å; F318-L328 HydrophobicContact CD1-CD2 3.84Å; F318-L328 HydrophobicContact CD1-CG 4.46Å; F318-L328 HydrophobicContact CD2-CD2 4.42Å; F318-L328 HydrophobicContact CE1-CB 4.13Å; F318-L328 HydrophobicContact CE1-CD2 4.4Å; F318-L328 HydrophobicContact CG-CD2 3.85Å; E324-L328 PolarHBondContact O-N 3.05Å; E324-L328 VanDerWaalsContact O-N 3.12Å; E325-L328 PolarHBondContact O-N 3.09Å; L328-R330 VanDerWaalsContact C-N 3.35Å; L328-R330 PolarHBondContact O-N 2.7Å; L328-G331 PolarHBondContact O-N 3.22Å; L328-L332 HydrophobicContact CD1-CD1 3.93Å; L328-L332 HydrophobicContact CD1-CG 4.17Å; L328-L332 HydrophobicContact CG-CD1 4.01Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 2.8Å
329N93.8Very high92.6Very high27 Ų2758.9 Ų58.914%0.14430%0.299CS..Hα-helixtrans-62.1-42.5-176.4-71.8-27.6000111.9E325 Q326 H333 R339 T374E325-N329 WeakPolarHBondContact O-CB 3.4Å; E325-N329 VanDerWaalsContact O-CG 3.3Å; E325-N329 PolarHBondContact O-N 3.38Å; E325-N329 PolarHBondContact O-ND2 3.37Å; Q326-N329 PolarHBondContact O-N 3.22Å; N329-H333 VanDerWaalsContact O-CB 3.27Å; N329-H333 WeakPolarHBondContact O-CB 3.49Å; N329-H333 PolarHBondContact O-N 3.47Å; N329-R339 PolarHBondContact ND2-NH1 2.97Å; N329-R339 WeakPolarHBondContact OD1-CD 3.31Å; N329-R339 PolarHBondContact OD1-NH1 3.47Å; N329-T374 HydrophobicContact CB-CG2 4.39Å
330R94.2Very high92.4Very high148 Ų14858.2 Ų58.256%0.55830%0.296SS*.Hα-helixtrans-64.1-46.2177-170.2-175-56.2170.55.3111.3Q326 L328 L332 H333 Q334Q326-R330 VanDerWaalsContact O-CB 3.26Å; Q326-R330 WeakPolarHBondContact O-CB 3.29Å; Q326-R330 PolarHBondContact O-N 2.98Å; L328-R330 VanDerWaalsContact C-N 3.35Å; L328-R330 PolarHBondContact O-N 2.7Å; R330-L332 PolarHBondContact O-N 2.89Å; R330-H333 PolarHBondContact O-N 2.89Å; R330-Q334 WeakPolarHBondContact O-CB 3.29Å; R330-Q334 VanDerWaalsContact O-CG 3.28Å; R330-Q334 WeakPolarHBondContact O-CG 3.42Å; R330-Q334 PolarHBondContact O-N 3.22Å
331G95.4Very high92.4Very high5 Ų555.2 Ų55.25%0.05227%0.271CS..Hα-helixtrans-65.5-36.3-179.800000113.4T327 L328 R335T327-G331 PolarHBondContact O-N 3.32Å; L328-G331 PolarHBondContact O-N 3.22Å; G331-R335 WeakPolarHBondContact O-CG 3.08Å; G331-R335 PolarHBondContact O-NH1 3.36Å
332L95.1Very high92.4Very high0 Ų047.8 Ų47.80%024%0.239CC..Hα-helixtrans-68.7-42.5172.2-70.3176.7000111.9W297 L300 V311 L328 R330 R335 G336 V337 R339 T374W297-L332 HydrophobicContact CH2-CG 4.25Å; W297-L332 HydrophobicContact CZ3-CD2 4.02Å; W297-L332 HydrophobicContact CZ3-CG 4.21Å; L300-L332 HydrophobicContact CD1-CD2 3.98Å; V311-L332 HydrophobicContact CB-CD1 4.42Å; V311-L332 HydrophobicContact CB-CD2 3.94Å; V311-L332 HydrophobicContact CG2-CD2 3.72Å; L328-L332 HydrophobicContact CD1-CD1 3.93Å; L328-L332 HydrophobicContact CD1-CG 4.17Å; L328-L332 HydrophobicContact CG-CD1 4.01Å; L328-L332 WeakPolarHBondContact O-CB 3.41Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 2.8Å; R330-L332 PolarHBondContact O-N 2.89Å; L332-R335 PolarHBondContact O-N 3.17Å; L332-G336 PolarHBondContact O-N 3Å; L332-V337 HydrophobicContact CD2-CB 3.96Å; L332-V337 HydrophobicContact CD2-CG1 3.78Å; L332-V337 PolarHBondContact O-N 3.49Å; L332-R339 HydrophobicContact CD1-CB 3.87Å; L332-R339 HydrophobicContact CD1-CG 4.3Å; L332-T374 HydrophobicContact CB-CG2 4.11Å; L332-T374 HydrophobicContact CD1-CG2 4.48Å
333H93.3Very high92.2Very high126 Ų12646.7 Ų46.758%0.58323%0.228SC*.Hα-helixtrans-62.7-44.9179.1-175.963.2000112.5N329 R330 R335 G336 T374N329-H333 VanDerWaalsContact O-CB 3.27Å; N329-H333 WeakPolarHBondContact O-CB 3.49Å; N329-H333 PolarHBondContact O-N 3.47Å; R330-H333 PolarHBondContact O-N 2.89Å; H333-R335 PolarHBondContact O-N 3.15Å; H333-R335 VanDerWaalsContact O-N 3.16Å; H333-G336 PolarHBondContact O-N 3.25Å; H333-G336 VanDerWaalsContact O-N 3.1Å; H333-T374 WeakPolarHBondContact CA-O 2.66Å; H333-T374 PolarHBondContact ND1-O 3.01Å
334Q93.6Very high91.8Very high138 Ų13839.7 Ų39.765%0.64520%0.195SC*.Hα-helixtrans-57.9-28.4176.5-75.4171.3-15.700113.3R330R330-Q334 WeakPolarHBondContact O-CB 3.29Å; R330-Q334 VanDerWaalsContact O-CG 3.28Å; R330-Q334 WeakPolarHBondContact O-CG 3.42Å; R330-Q334 PolarHBondContact O-N 3.22Å
335R93.5Very high91.4Very high72 Ų7240.9 Ų40.927%0.27220%0.197SC..THydrogen-bonded Turntrans-97.90.5-178.8-67.7169.5174.567.315.1113.6D301 G331 L332 H333 V337D301-R335 WeakPolarHBondContact OD1-CD 3.47Å; D301-R335 IonicContact OD1-CZ 3.19Å; D301-R335 IonicContact OD1-NE 3.54Å; D301-R335 PolarHBondContact OD1-NE 2.84Å; D301-R335 IonicContact OD1-NH2 3.18Å; D301-R335 PolarHBondContact OD1-NH2 2.98Å; D301-R335 IonicContact OD2-CZ 2.99Å; D301-R335 IonicContact OD2-NE 2.71Å; D301-R335 PolarHBondContact OD2-NE 3.08Å; D301-R335 IonicContact OD2-NH2 3.59Å; D301-R335 PolarHBondContact OD2-NH2 3.44Å; G331-R335 WeakPolarHBondContact O-CG 3.08Å; G331-R335 PolarHBondContact O-NH1 3.36Å; L332-R335 PolarHBondContact O-N 3.17Å; H333-R335 PolarHBondContact O-N 3.15Å; H333-R335 VanDerWaalsContact O-N 3.16Å; R335-V337 HydrophobicContact CB-CG2 3.82Å; R335-V337 PolarHBondContact O-N 3.35Å
336G91.7Very high90.8Very high46 Ų4640.4 Ų40.447%0.47419%0.194SC..THydrogen-bonded Turntrans63.225.1-174.200000113.9L332 H333 A375L332-G336 PolarHBondContact O-N 3Å; H333-G336 PolarHBondContact O-N 3.25Å; H333-G336 VanDerWaalsContact O-N 3.1Å; G336-A375 WeakPolarHBondContact O-CB 2.95Å
337V92.8Very high90.3Very high6 Ų635.5 Ų35.54%0.03617%0.172CC..PPolyproline II helixtrans-97134.5-179.1-179.30000109.8L300 V311 L332 R335 T374L300-V337 HydrophobicContact CD1-CG1 4.42Å; L300-V337 HydrophobicContact CD1-CG2 4.29Å; L300-V337 HydrophobicContact CD2-CG1 4.38Å; L300-V337 HydrophobicContact CD2-CG2 4.36Å; V311-V337 HydrophobicContact CG2-CG1 3.84Å; L332-V337 HydrophobicContact CD2-CB 3.96Å; L332-V337 HydrophobicContact CD2-CG1 3.78Å; L332-V337 PolarHBondContact O-N 3.49Å; R335-V337 HydrophobicContact CB-CG2 3.82Å; R335-V337 PolarHBondContact O-N 3.35Å; V337-T374 WeakPolarHBondContact O-CB 3.46Å; V337-T374 PolarHBondContact O-OG1 2.73Å
338N90.8Very high89.8Confident1 Ų135.2 Ų35.21%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-82.4135.7-177.1-56.6-89000111.7Q279 Y309 G310 V311 T374 A375 N377Q279-N338 PolarHBondContact NE2-ND2 3.04Å; Y309-N338 PolarHBondContact O-N 3Å; Y309-N338 PolarHBondContact O-ND2 3.12Å; Y309-N338 VanDerWaalsContact O-ND2 3.08Å; G310-N338 CarbonylContact C-O 3.53Å; G310-N338 WeakPolarHBondContact CA-O 3.42Å; V311-N338 PolarHBondContact N-O 3.46Å; N338-T374 VanDerWaalsContact C-OG1 3.3Å; N338-T374 VanDerWaalsContact CA-OG1 3.25Å; N338-T374 WeakPolarHBondContact CA-OG1 2.83Å; N338-A375 HydrophobicContact CB-CB 4.45Å; N338-A375 VanDerWaalsContact OD1-CB 3.29Å; N338-A375 WeakPolarHBondContact OD1-CB 3.34Å; N338-A375 PolarHBondContact OD1-O 2.75Å; N338-N377 VanDerWaalsContact CG-C 3.42Å; N338-N377 PolarHBondContact ND2-O 2.81Å; N338-N377 WeakPolarHBondContact OD1-CA 3.37Å; N338-N377 PolarHBondContact OD1-N 3.33Å; N338-N377 PolarHBondContact OD1-O 2.92Å
339R92.4Very high89.3Confident5 Ų538 Ų382%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-77.4125.4165.8-174.4170.1176.4180-3108.7F318 E325 N329 L332 I341 T374F318-R339 PolarHBondContact O-NH2 3.29Å; E325-R339 IonicContact OE1-CZ 3.72Å; E325-R339 IonicContact OE1-NH1 2.71Å; E325-R339 PolarHBondContact OE1-NH1 3.1Å; E325-R339 IonicContact OE1-NH2 2.95Å; E325-R339 PolarHBondContact OE1-NH2 3.16Å; N329-R339 PolarHBondContact ND2-NH1 2.97Å; N329-R339 WeakPolarHBondContact OD1-CD 3.31Å; N329-R339 PolarHBondContact OD1-NH1 3.47Å; L332-R339 HydrophobicContact CD1-CB 3.87Å; L332-R339 HydrophobicContact CD1-CG 4.3Å; R339-I341 PolarHBondContact O-N 3.21Å; R339-T374 HydrophobicContact CB-CG2 3.85Å; R339-T374 PolarHBondContact N-OG1 3.31Å
340V88.7Confident88.6Confident6 Ų637 Ų374%0.03619%0.186CC..PPolyproline II helixtrans-71.6122.9175.1179.70000108.8W281 V311 E312 L342 L379 R381W281-V340 HydrophobicContact CB-CG2 4.1Å; W281-V340 HydrophobicContact CG-CG2 4.39Å; V311-V340 PolarHBondContact O-N 3.36Å; E312-V340 HydrophobicContact CB-CB 3.73Å; E312-V340 HydrophobicContact CB-CG1 4.12Å; E312-V340 HydrophobicContact CB-CG2 3.98Å; E312-V340 HydrophobicContact CG-CB 4.23Å; E312-V340 HydrophobicContact CG-CG1 4.24Å; V340-L342 PolarHBondContact O-N 3.29Å; V340-L379 WeakPolarHBondContact CA-O 3.26Å; V340-L379 HydrophobicContact CG1-CD2 4.25Å; V340-L379 HydrophobicContact CG1-CG 4.21Å; V340-L379 HydrophobicContact CG2-CB 4.35Å; V340-L379 HydrophobicContact CG2-CD2 3.65Å; V340-L379 HydrophobicContact CG2-CG 4.21Å; V340-R381 HydrophobicContact CG1-CB 3.85Å
341I87.6Confident88Confident5 Ų540.2 Ų40.23%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-83.7101.1176.3-56.8167.3000107.3R339 V369 A371 L379 I380 R381R339-I341 PolarHBondContact O-N 3.21Å; I341-V369 HydrophobicContact CG2-CG1 4Å; I341-A371 HydrophobicContact CD1-CB 4.25Å; I341-A371 HydrophobicContact CG2-CB 4.35Å; I341-L379 PolarHBondContact N-O 3.21Å; I341-I380 HydrophobicContact CB-CG1 4.14Å; I341-I380 HydrophobicContact CD1-CG1 4.05Å; I341-I380 CarbonylContact O-C 3.53Å; I341-I380 WeakPolarHBondContact O-CA 3.21Å; I341-R381 PolarHBondContact O-N 3.21Å
342L85.7Confident87.3Confident5 Ų543 Ų433%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-86.9121.1178.5-177.464.5000110.5V340 P365 V367 R381 I383V340-L342 PolarHBondContact O-N 3.29Å; L342-P365 HydrophobicContact CD2-CG 3.75Å; L342-V367 HydrophobicContact CD2-CG2 3.86Å; L342-R381 HydrophobicContact CD1-CB 4.1Å; L342-R381 HydrophobicContact CD1-CG 4.09Å; L342-I383 HydrophobicContact CD1-CD1 3.82Å; L342-I383 HydrophobicContact CD1-CG1 4.25Å
343D84.6Confident86.8Confident0 Ų048.7 Ų48.70%024%0.241CC..EExtended strand (participates in β ladder)trans-117.4101.4171.9-168.5-6.3000110.6R345 V369 R381 F382 I383D343-R345 WeakPolarHBondContact OD1-CB 3.38Å; D343-R345 WeakPolarHBondContact OD1-CG 3.35Å; D343-R345 IonicContact OD1-CZ 2.87Å; D343-R345 PolarHBondContact OD1-N 3.43Å; D343-R345 VanDerWaalsContact OD1-N 3.08Å; D343-R345 IonicContact OD1-NE 3.98Å; D343-R345 PolarHBondContact OD1-NE 3.05Å; D343-R345 IonicContact OD1-NH2 3.14Å; D343-R345 IonicContact OD2-CZ 3.2Å; D343-R345 IonicContact OD2-NE 3.7Å; D343-R345 PolarHBondContact OD2-NE 3.25Å; D343-R345 IonicContact OD2-NH2 3.78Å; D343-R345 PolarHBondContact OD2-NH2 3.22Å; D343-V369 HydrophobicContact CB-CG1 4.31Å; D343-V369 HydrophobicContact CB-CG2 3.96Å; D343-V369 WeakPolarHBondContact OD1-CG2 3.12Å; D343-R381 PolarHBondContact N-O 3.19Å; D343-F382 HydrophobicContact CB-CD2 3.91Å; D343-I383 PolarHBondContact O-N 2.9Å
344S85.4Confident86.1Confident2 Ų244.5 Ų44.51%0.01423%0.226CC..  trans-105.18175.563.60000113.2P346 V347 H348 P365S344-P346 VanDerWaalsContact C-N 3.34Å; S344-V347 WeakPolarHBondContact O-CG1 3.38Å; S344-V347 PolarHBondContact O-N 3.35Å; S344-H348 PolarHBondContact O-CD2 3.19Å; S344-H348 PolarHBondContact O-N 3.38Å; S344-P365 PolarHBondContact OG-O 2.76Å
345R84.8Confident85.2Confident93 Ų9345.8 Ų45.835%0.35123%0.232SC..Hα-helixtrans-54.9-42.5178.2-63.2175.4-66.3168.40.7113D343 H348 A349 V369 T397D343-R345 WeakPolarHBondContact OD1-CB 3.38Å; D343-R345 WeakPolarHBondContact OD1-CG 3.35Å; D343-R345 IonicContact OD1-CZ 2.87Å; D343-R345 PolarHBondContact OD1-N 3.43Å; D343-R345 VanDerWaalsContact OD1-N 3.08Å; D343-R345 IonicContact OD1-NE 3.98Å; D343-R345 PolarHBondContact OD1-NE 3.05Å; D343-R345 IonicContact OD1-NH2 3.14Å; D343-R345 IonicContact OD2-CZ 3.2Å; D343-R345 IonicContact OD2-NE 3.7Å; D343-R345 PolarHBondContact OD2-NE 3.25Å; D343-R345 IonicContact OD2-NH2 3.78Å; D343-R345 PolarHBondContact OD2-NH2 3.22Å; R345-H348 PolarHBondContact O-N 3.46Å; R345-A349 VanDerWaalsContact O-CB 3.26Å; R345-A349 WeakPolarHBondContact O-CB 2.98Å; R345-A349 PolarHBondContact O-N 3.31Å; R345-V369 HydrophobicContact CG-CG2 3.96Å; R345-T397 PolarHBondContact NH1-OG1 3.49Å; R345-T397 PolarHBondContact NH2-OG1 3.38Å
346P81.4Confident84.3Confident0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-62.6-47.7-177.5-16.626.1000113S344 H348 A349 A350 F382 I383 N391 L394S344-P346 VanDerWaalsContact C-N 3.34Å; P346-H348 VanDerWaalsContact C-N 3.27Å; P346-H348 PolarHBondContact O-N 2.95Å; P346-A349 PolarHBondContact O-N 2.97Å; P346-A350 PolarHBondContact O-N 3.23Å; P346-F382 HydrophobicContact CB-CE1 4.48Å; P346-F382 HydrophobicContact CB-CZ 4.17Å; P346-F382 HydrophobicContact CG-CD2 4.33Å; P346-F382 HydrophobicContact CG-CE1 3.74Å; P346-F382 HydrophobicContact CG-CE2 3.49Å; P346-F382 VanDerWaalsContact CG-CE2 3.49Å; P346-F382 HydrophobicContact CG-CZ 3.17Å; P346-I383 WeakPolarHBondContact CB-O 3.49Å; P346-I383 WeakPolarHBondContact CD-O 3.44Å; P346-I383 WeakPolarHBondContact CG-O 3.06Å; P346-N391 VanDerWaalsContact CB-OD1 3.29Å; P346-N391 WeakPolarHBondContact CB-OD1 3.43Å; P346-L394 VanDerWaalsContact CA-CD1 3.47Å; P346-L394 HydrophobicContact CB-CD1 3.69Å; P346-L394 HydrophobicContact CG-CB 4.16Å; P346-L394 HydrophobicContact CG-CD1 3.65Å
347V82.3Confident83.6Confident6 Ų644.4 Ų44.44%0.03623%0.229CC..Hα-helixtrans-62.1-35.7179.166.20000112.2S344 A360 Q361 K364 I383S344-V347 WeakPolarHBondContact O-CG1 3.38Å; S344-V347 PolarHBondContact O-N 3.35Å; V347-A360 HydrophobicContact CG2-CB 3.86Å; V347-Q361 HydrophobicContact CG2-CG 4.23Å; V347-Q361 WeakPolarHBondContact O-CG 3.46Å; V347-Q361 PolarHBondContact O-NE2 2.78Å; V347-K364 HydrophobicContact CG1-CB 4.26Å; V347-K364 HydrophobicContact CG1-CG 4.42Å; V347-I383 HydrophobicContact CB-CG2 4.04Å; V347-I383 HydrophobicContact CG1-CB 4.39Å; V347-I383 HydrophobicContact CG1-CG2 3.84Å; V347-I383 PolarHBondContact N-O 2.82Å
348H83.5Confident83Confident49 Ų4951.1 Ų51.123%0.22725%0.254CS..Hα-helixtrans-80.3-20.9178.1-71.6-64.2000113.9S344 R345 P346 Q361 K364 P365S344-H348 PolarHBondContact O-CD2 3.19Å; S344-H348 PolarHBondContact O-N 3.38Å; R345-H348 PolarHBondContact O-N 3.46Å; P346-H348 VanDerWaalsContact C-N 3.27Å; P346-H348 PolarHBondContact O-N 2.95Å; H348-Q361 PolarHBondContact CE1-O 2.9Å; H348-Q361 VanDerWaalsContact CE1-O 3.29Å; H348-K364 PolarHBondContact CE1-O 2.96Å; H348-K364 VanDerWaalsContact CE1-O 3.31Å; H348-K364 PolarHBondContact NE2-O 2.71Å; H348-P365 PolarHBondContact NE2-O 3.16Å
349A83.7Confident82.2Confident57 Ų5753.2 Ų53.247%0.47127%0.265SS..Hα-helixtrans-86.2-16.3173.800000112.9R345 P346R345-A349 VanDerWaalsContact O-CB 3.26Å; R345-A349 WeakPolarHBondContact O-CB 2.98Å; R345-A349 PolarHBondContact O-N 3.31Å; P346-A349 PolarHBondContact O-N 2.97Å
350A79.6Confident81.3Confident8 Ų854.3 Ų54.37%0.06628%0.275CS..SBendtrans-63.8142.6178.800000112.2P346 I357 Q361P346-A350 PolarHBondContact O-N 3.23Å; A350-I357 HydrophobicContact CB-CD1 4.46Å; A350-I357 HydrophobicContact CB-CG2 4.13Å; A350-Q361 PolarHBondContact O-NE2 3.43Å
351R81.3Confident81Confident215 Ų21555.9 Ų55.981%0.81128%0.282SS*.  trans-69.8128.5172.3-70.7-173.8178.2-168.80.6109.7H353R351-H353 PolarHBondContact O-N 3.36Å; R351-H353 PolarHBondContact O-ND1 2.81Å
352P82.5Confident80.7Confident63 Ų6364.5 Ų64.541%0.40931%0.314SS..  trans-76.762.8-176.531.5-36.5000113R358P352-R358 HydrophobicContact CB-CG 3.69Å; P352-R358 PolarHBondContact O-NE 2.97Å; P352-R358 PolarHBondContact O-NH2 3.28Å
353H82.6Confident80.2Confident120 Ų12070.9 Ų70.956%0.55634%0.342SS*.  trans-87.4-18.1-176.164.9-83000113.5R351 I357 D386R351-H353 PolarHBondContact O-N 3.36Å; R351-H353 PolarHBondContact O-ND1 2.81Å; H353-I357 WeakPolarHBondContact CE1-CD1 3.29Å; H353-D386 IonicContact CE1-OD1 2.77Å; H353-D386 IonicContact CE1-OD2 3.33Å; H353-D386 PolarHBondContact CE1-OD2 2.85Å; H353-D386 IonicContact NE2-OD2 3.33Å; H353-D386 PolarHBondContact NE2-OD2 3.45Å
354S78.7Confident79.9Confident37 Ų3774.4 Ų74.426%0.25936%0.357SS..SBendtrans-121.1152.3175.768.70000111.9A356 I357 R358S354-A356 PolarHBondContact O-N 3.46Å; S354-I357 PolarHBondContact O-N 2.71Å; S354-I357 WeakPolarHBondContact OG-CG1 3.45Å; S354-I357 PolarHBondContact OG-N 2.95Å; S354-R358 WeakPolarHBondContact O-CG 3.38Å; S354-R358 PolarHBondContact O-N 3Å
355E76.1Confident79.5Confident166 Ų16675.6 Ų75.678%0.77636%0.364SS*.Hα-helixtrans-60.8-33.7174.4-170.6172.5-170.900111.6I357 R358 D359E355-I357 PolarHBondContact O-N 2.77Å; E355-R358 PolarHBondContact O-N 2.84Å; E355-D359 WeakPolarHBondContact O-CB 3.48Å; E355-D359 PolarHBondContact O-N 3Å
356A73.8Confident79.4Confident73 Ų7379.4 Ų79.460%0.60338%0.384SS*.Hα-helixtrans-61.4-43.1175.100000112.5S354 A360S354-A356 PolarHBondContact O-N 3.46Å; A356-A360 VanDerWaalsContact O-CB 3.31Å; A356-A360 WeakPolarHBondContact O-CB 3.13Å; A356-A360 PolarHBondContact O-N 2.8Å
357I76.8Confident79.4Confident16 Ų1680.1 Ų80.18%0.08239%0.388CS..Hα-helixtrans-70.2-40.5176.1-69.7-177.9000111.1A350 H353 S354 E355 D359 A360 Q361 D386A350-I357 HydrophobicContact CB-CD1 4.46Å; A350-I357 HydrophobicContact CB-CG2 4.13Å; H353-I357 WeakPolarHBondContact CE1-CD1 3.29Å; S354-I357 PolarHBondContact O-N 2.71Å; S354-I357 WeakPolarHBondContact OG-CG1 3.45Å; S354-I357 PolarHBondContact OG-N 2.95Å; E355-I357 PolarHBondContact O-N 2.77Å; I357-D359 VanDerWaalsContact C-N 3.32Å; I357-D359 PolarHBondContact O-N 3.28Å; I357-A360 PolarHBondContact O-N 2.89Å; I357-Q361 HydrophobicContact CG2-CG 4.15Å; I357-Q361 WeakPolarHBondContact O-CB 3.33Å; I357-Q361 VanDerWaalsContact O-CG 3.27Å; I357-Q361 WeakPolarHBondContact O-CG 3.15Å; I357-Q361 PolarHBondContact O-N 2.94Å; I357-D386 HydrophobicContact CD1-CB 4.12Å; I357-D386 WeakPolarHBondContact CD1-OD1 3.43Å
358R80.2Confident79.5Confident147 Ų14783.2 Ų83.256%0.55541%0.408SS*.Hα-helixtrans-60.7-42.8175.7-69.6173.1-172.3179.22111.6P352 S354 E355 R362P352-R358 HydrophobicContact CB-CG 3.69Å; P352-R358 PolarHBondContact O-NE 2.97Å; P352-R358 PolarHBondContact O-NH2 3.28Å; S354-R358 WeakPolarHBondContact O-CG 3.38Å; S354-R358 PolarHBondContact O-N 3Å; E355-R358 PolarHBondContact O-N 2.84Å; R358-R362 WeakPolarHBondContact O-CB 3.29Å; R358-R362 PolarHBondContact O-N 2.78Å
359D74.8Confident79.5Confident44 Ų4482.6 Ų82.624%0.23541%0.408CS..Hα-helixtrans-66.3-42175.3-175.155000111.7E355 I357 R362 K363E355-D359 WeakPolarHBondContact O-CB 3.48Å; E355-D359 PolarHBondContact O-N 3Å; I357-D359 VanDerWaalsContact C-N 3.32Å; I357-D359 PolarHBondContact O-N 3.28Å; D359-R362 PolarHBondContact O-N 3.49Å; D359-R362 IonicContact OD1-CZ 2.96Å; D359-R362 IonicContact OD1-NE 2.64Å; D359-R362 IonicContact OD1-NH2 3.36Å; D359-R362 PolarHBondContact OD1-NH2 3.39Å; D359-K363 VanDerWaalsContact CG-NZ 3.34Å; D359-K363 WeakPolarHBondContact O-CB 3.4Å; D359-K363 WeakPolarHBondContact O-CG 3.45Å; D359-K363 PolarHBondContact O-N 3.08Å; D359-K363 WeakPolarHBondContact OD1-CE 3.48Å; D359-K363 IonicContact OD1-NZ 3.43Å; D359-K363 PolarHBondContact OD1-NZ 2.79Å; D359-K363 VanDerWaalsContact OD1-NZ 3.16Å; D359-K363 WeakPolarHBondContact OD2-CD 3.17Å; D359-K363 WeakPolarHBondContact OD2-CE 3.32Å; D359-K363 IonicContact OD2-NZ 2.66Å; D359-K363 PolarHBondContact OD2-NZ 2.98Å
360A73.9Confident79.4Confident28 Ų2881.2 Ų81.223%0.23139%0.391CS..Hα-helixtrans-61.9-47.6175.300000111.7V347 A356 I357 R362 K363 K364V347-A360 HydrophobicContact CG2-CB 3.86Å; A356-A360 VanDerWaalsContact O-CB 3.31Å; A356-A360 WeakPolarHBondContact O-CB 3.13Å; A356-A360 PolarHBondContact O-N 2.8Å; I357-A360 PolarHBondContact O-N 2.89Å; A360-R362 VanDerWaalsContact C-N 3.3Å; A360-R362 PolarHBondContact O-N 3.27Å; A360-K363 PolarHBondContact O-N 2.84Å; A360-K364 WeakPolarHBondContact O-CB 3.06Å; A360-K364 VanDerWaalsContact O-CG 3.23Å; A360-K364 WeakPolarHBondContact O-CG 3.44Å; A360-K364 PolarHBondContact O-N 2.77Å
361Q82.4Confident79.5Confident40 Ų4083.2 Ų83.219%0.18741%0.408CS..Hα-helixtrans-60-38.8176.9-75.4175.8-14.400112.3V347 H348 A350 I357V347-Q361 HydrophobicContact CG2-CG 4.23Å; V347-Q361 WeakPolarHBondContact O-CG 3.46Å; V347-Q361 PolarHBondContact O-NE2 2.78Å; H348-Q361 PolarHBondContact CE1-O 2.9Å; H348-Q361 VanDerWaalsContact CE1-O 3.29Å; A350-Q361 PolarHBondContact O-NE2 3.43Å; I357-Q361 HydrophobicContact CG2-CG 4.15Å; I357-Q361 WeakPolarHBondContact O-CB 3.33Å; I357-Q361 VanDerWaalsContact O-CG 3.27Å; I357-Q361 WeakPolarHBondContact O-CG 3.15Å; I357-Q361 PolarHBondContact O-N 2.94Å
362R80.2Confident79.6Confident185 Ų18575.1 Ų75.170%0.69838%0.382SS*.Hα-helixtrans-68.7-38.7175.9-178.6177.458.6-143.9-1.2112.8R358 D359 A360R358-R362 WeakPolarHBondContact O-CB 3.29Å; R358-R362 PolarHBondContact O-N 2.78Å; D359-R362 PolarHBondContact O-N 3.49Å; D359-R362 IonicContact OD1-CZ 2.96Å; D359-R362 IonicContact OD1-NE 2.64Å; D359-R362 IonicContact OD1-NH2 3.36Å; D359-R362 PolarHBondContact OD1-NH2 3.39Å; A360-R362 VanDerWaalsContact C-N 3.3Å; A360-R362 PolarHBondContact O-N 3.27Å
363K76.1Confident79.7Confident140 Ų14076.5 Ų76.561%0.60939%0.386SS*.Hα-helixtrans-86-29.9-174-74.9176.2176.11630114.1D359 A360D359-K363 VanDerWaalsContact CG-NZ 3.34Å; D359-K363 WeakPolarHBondContact O-CB 3.4Å; D359-K363 WeakPolarHBondContact O-CG 3.45Å; D359-K363 PolarHBondContact O-N 3.08Å; D359-K363 WeakPolarHBondContact OD1-CE 3.48Å; D359-K363 IonicContact OD1-NZ 3.43Å; D359-K363 PolarHBondContact OD1-NZ 2.79Å; D359-K363 VanDerWaalsContact OD1-NZ 3.16Å; D359-K363 WeakPolarHBondContact OD2-CD 3.17Å; D359-K363 WeakPolarHBondContact OD2-CE 3.32Å; D359-K363 IonicContact OD2-NZ 2.66Å; D359-K363 PolarHBondContact OD2-NZ 2.98Å; A360-K363 PolarHBondContact O-N 2.84Å
364K77.2Confident80Confident74 Ų7471 Ų7132%0.32236%0.36SS..SBendtrans-85.2131.9-175.9-61.4-52-173.9-176.90110.4V347 H348 A360 I383V347-K364 HydrophobicContact CG1-CB 4.26Å; V347-K364 HydrophobicContact CG1-CG 4.42Å; H348-K364 PolarHBondContact CE1-O 2.96Å; H348-K364 VanDerWaalsContact CE1-O 3.31Å; H348-K364 PolarHBondContact NE2-O 2.71Å; A360-K364 WeakPolarHBondContact O-CB 3.06Å; A360-K364 VanDerWaalsContact O-CG 3.23Å; A360-K364 WeakPolarHBondContact O-CG 3.44Å; A360-K364 PolarHBondContact O-N 2.77Å; K364-I383 HydrophobicContact CD-CD1 3.93Å; K364-I383 HydrophobicContact CG-CD1 4.23Å; K364-I383 HydrophobicContact CG-CG2 4.3Å
365P77.3Confident80.3Confident26 Ų2670.1 Ų70.117%0.16936%0.356CS..  trans-63.8141.2-179.128.5-35.7000110.8R314 L342 S344 H348 V367R314-P365 HydrophobicContact CG-CG 4.23Å; L342-P365 HydrophobicContact CD2-CG 3.75Å; S344-P365 PolarHBondContact OG-O 2.76Å; H348-P365 PolarHBondContact NE2-O 3.16Å; P365-V367 HydrophobicContact CB-CG1 4.35Å
366K82.5Confident80.7Confident173 Ų17368 Ų6875%0.75236%0.355SS*.  trans-99.177.9174.5-168.5175.4-179.1177.70108.7
367V81.5Confident81Confident15 Ų1565.3 Ų65.39%0.09133%0.33CS..  trans-111.8147179.5-67.80000110.5F319 L342 P365F319-V367 HydrophobicContact CD1-CB 4.04Å; F319-V367 HydrophobicContact CD1-CG2 4.48Å; F319-V367 HydrophobicContact CD2-CB 3.94Å; F319-V367 HydrophobicContact CD2-CG1 3.85Å; F319-V367 HydrophobicContact CE1-CB 3.89Å; F319-V367 HydrophobicContact CE1-CG2 3.86Å; F319-V367 HydrophobicContact CE2-CB 3.81Å; F319-V367 HydrophobicContact CE2-CG1 3.68Å; F319-V367 HydrophobicContact CE2-CG2 4.13Å; F319-V367 HydrophobicContact CG-CB 4.06Å; F319-V367 HydrophobicContact CG-CG1 4.43Å; F319-V367 HydrophobicContact CZ-CB 3.78Å; F319-V367 HydrophobicContact CZ-CG1 4.11Å; F319-V367 HydrophobicContact CZ-CG2 3.66Å; L342-V367 HydrophobicContact CD2-CG2 3.86Å; P365-V367 HydrophobicContact CB-CG1 4.35Å
368P84.4Confident81.3Confident71 Ų7166.1 Ų66.146%0.46134%0.336SS..  trans-56145.9173.1-25.133.7000112.8F319 H370F319-P368 HydrophobicContact CB-CG 4.09Å; F319-P368 VanDerWaalsContact CD1-O 3.25Å; F319-P368 WeakPolarHBondContact CD1-O 3.49Å; F319-P368 WeakPolarHBondContact CE1-O 3.35Å; P368-H370 PolarHBondContact O-N 3.24Å
369V83.5Confident81.3Confident36 Ų3659.5 Ų59.522%0.21831%0.312CS..  trans-80.2106.4174-174.40000109I341 D343 R345 L398I341-V369 HydrophobicContact CG2-CG1 4Å; D343-V369 HydrophobicContact CB-CG1 4.31Å; D343-V369 HydrophobicContact CB-CG2 3.96Å; D343-V369 WeakPolarHBondContact OD1-CG2 3.12Å; R345-V369 HydrophobicContact CG-CG2 3.96Å; V369-L398 HydrophobicContact CG1-CD2 3.95Å
370H82.8Confident81.7Confident28 Ų2858.3 Ų58.313%0.1331%0.305CS..  trans-105.899.6175.3-76.2-163.1000109.4F319 E325 P368 V372F319-H370 PolarHBondContact O-CE1 3.29Å; E325-H370 VanDerWaalsContact CD-ND1 3.31Å; E325-H370 IonicContact OE1-CE1 3Å; E325-H370 IonicContact OE1-CG 2.74Å; E325-H370 IonicContact OE1-ND1 3.68Å; E325-H370 PolarHBondContact OE1-ND1 2.68Å; E325-H370 IonicContact OE2-CE1 3.66Å; E325-H370 PolarHBondContact OE2-CE1 3.12Å; E325-H370 IonicContact OE2-ND1 3.79Å; E325-H370 PolarHBondContact OE2-ND1 3.14Å; P368-H370 PolarHBondContact O-N 3.24Å; H370-V372 VanDerWaalsContact C-N 3.28Å; H370-V372 HydrophobicContact CB-CG2 4.38Å; H370-V372 PolarHBondContact O-N 3.34Å
371A81.2Confident82.2Confident50 Ų5059.1 Ų59.141%0.41330%0.302SS..  trans-81.471.1179.400000111.1I341 P399I341-A371 HydrophobicContact CD1-CB 4.25Å; I341-A371 HydrophobicContact CG2-CB 4.35Å; A371-P399 HydrophobicContact CB-CG 4.04Å
372V82.8Confident82.2Confident45 Ų4557.2 Ų57.227%0.27329%0.293SS..  trans-102.9127.7-179.4-1780000110.1H370 T374H370-V372 VanDerWaalsContact C-N 3.28Å; H370-V372 HydrophobicContact CB-CG2 4.38Å; H370-V372 PolarHBondContact O-N 3.34Å; V372-T374 HydrophobicContact CG1-CG2 4.14Å
373L85.1Confident82.2Confident92 Ų9249.6 Ų49.648%0.48227%0.266SS..  trans-87.5113.8171.6-74.3176.3000109.6P378 W404L373-P378 HydrophobicContact CD2-CB 3.48Å; L373-P378 VanDerWaalsContact CD2-CB 3.48Å; L373-P378 HydrophobicContact CD2-CG 3.85Å; L373-W404 HydrophobicContact CD1-CH2 4.4Å; L373-W404 HydrophobicContact CD1-CZ2 4.37Å; L373-W404 HydrophobicContact CD2-CH2 3.58Å; L373-W404 HydrophobicContact CD2-CZ2 4.1Å; L373-W404 HydrophobicContact CG-CH2 4.33Å
374T87.7Confident82.3Confident4 Ų443.9 Ų43.93%0.02525%0.247CC..  trans-105.2-19.6173.359.40000112.7N329 L332 H333 V337 N338 R339 V372N329-T374 HydrophobicContact CB-CG2 4.39Å; L332-T374 HydrophobicContact CB-CG2 4.11Å; L332-T374 HydrophobicContact CD1-CG2 4.48Å; H333-T374 WeakPolarHBondContact CA-O 2.66Å; H333-T374 PolarHBondContact ND1-O 3.01Å; V337-T374 WeakPolarHBondContact O-CB 3.46Å; V337-T374 PolarHBondContact O-OG1 2.73Å; N338-T374 VanDerWaalsContact C-OG1 3.3Å; N338-T374 VanDerWaalsContact CA-OG1 3.25Å; N338-T374 WeakPolarHBondContact CA-OG1 2.83Å; R339-T374 HydrophobicContact CB-CG2 3.85Å; R339-T374 PolarHBondContact N-OG1 3.31Å; V372-T374 HydrophobicContact CG1-CG2 4.14Å
375A86.8Confident82.3Confident19 Ų1941.1 Ų41.116%0.15724%0.237CC..SBendtrans-150.7-171.3176.400000111.8G336 N338G336-A375 WeakPolarHBondContact O-CB 2.95Å; N338-A375 HydrophobicContact CB-CB 4.45Å; N338-A375 VanDerWaalsContact OD1-CB 3.29Å; N338-A375 WeakPolarHBondContact OD1-CB 3.34Å; N338-A375 PolarHBondContact OD1-O 2.75Å
376T82.8Confident82.3Confident123 Ų12344.3 Ų44.376%0.75525%0.253SS*.SBendtrans-85.3-10-166.553.90000115.1P378T376-P378 VanDerWaalsContact C-CD 3.45Å; T376-P378 WeakPolarHBondContact O-CD 3.18Å
377N81.8Confident82Confident15 Ų1539.5 Ų39.58%0.0824%0.235CC..SBendtrans-123.166.8-175.2-71.6-66.3000110.5Q279 N308 N338 L379Q279-N377 PolarHBondContact OE1-O 3.48Å; N308-N377 PolarHBondContact OD1-ND2 3.44Å; N338-N377 VanDerWaalsContact CG-C 3.42Å; N338-N377 PolarHBondContact ND2-O 2.81Å; N338-N377 WeakPolarHBondContact OD1-CA 3.37Å; N338-N377 PolarHBondContact OD1-N 3.33Å; N338-N377 PolarHBondContact OD1-O 2.92Å; N377-L379 PolarHBondContact O-N 3.04Å
378P81.5Confident81.9Confident33 Ų3342.7 Ų42.721%0.21425%0.25CS..  trans-62.4137.2-172.625-34.1000112.2L373 T376 W404L373-P378 HydrophobicContact CD2-CB 3.48Å; L373-P378 VanDerWaalsContact CD2-CB 3.48Å; L373-P378 HydrophobicContact CD2-CG 3.85Å; T376-P378 VanDerWaalsContact C-CD 3.45Å; T376-P378 WeakPolarHBondContact O-CD 3.18Å; P378-W404 HydrophobicContact CB-CH2 3.62Å; P378-W404 HydrophobicContact CB-CZ2 4.36Å; P378-W404 HydrophobicContact CB-CZ3 3.81Å; P378-W404 HydrophobicContact CG-CE3 4.41Å; P378-W404 HydrophobicContact CG-CH2 3.39Å; P378-W404 HydrophobicContact CG-CZ2 3.64Å; P378-W404 HydrophobicContact CG-CZ3 3.76Å
379L81Confident81.7Confident8 Ų843.8 Ų43.84%0.04226%0.255CS..  trans-115.9120.3179178.760.2000109.7W281 V340 I341 N377 V413W281-L379 HydrophobicContact CB-CD2 3.96Å; W281-L379 HydrophobicContact CD2-CD2 4.02Å; W281-L379 HydrophobicContact CE3-CD2 4.06Å; W281-L379 HydrophobicContact CG-CD2 3.97Å; V340-L379 WeakPolarHBondContact CA-O 3.26Å; V340-L379 HydrophobicContact CG1-CD2 4.25Å; V340-L379 HydrophobicContact CG1-CG 4.21Å; V340-L379 HydrophobicContact CG2-CB 4.35Å; V340-L379 HydrophobicContact CG2-CD2 3.65Å; V340-L379 HydrophobicContact CG2-CG 4.21Å; I341-L379 PolarHBondContact N-O 3.21Å; N377-L379 PolarHBondContact O-N 3.04Å; L379-V413 HydrophobicContact CD1-CG1 3.91Å
380I83.3Confident81.5Confident20 Ų2044.2 Ų44.210%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-103.7127.3171.1-57.2174.5000108.2I341 L398 W404I341-I380 HydrophobicContact CB-CG1 4.14Å; I341-I380 HydrophobicContact CD1-CG1 4.05Å; I341-I380 CarbonylContact O-C 3.53Å; I341-I380 WeakPolarHBondContact O-CA 3.21Å; I380-L398 HydrophobicContact CD1-CD1 4.37Å; I380-L398 HydrophobicContact CG2-CD1 3.97Å; I380-W404 HydrophobicContact CD1-CE3 3.91Å; I380-W404 HydrophobicContact CD1-CZ3 4.01Å; I380-W404 HydrophobicContact CG1-CZ3 4.48Å
381R83.3Confident81.4Confident45 Ų4543 Ų4317%0.1725%0.25CC..EExtended strand (participates in β ladder)trans-107.396.7170.7-171.1179-173.5-174.710109.3E312 R314 V340 I341 L342 D343E312-R381 IonicContact OE1-NH1 3.45Å; E312-R381 PolarHBondContact OE1-NH1 3.46Å; E312-R381 WeakPolarHBondContact OE2-CD 3.4Å; E312-R381 IonicContact OE2-CZ 2.79Å; E312-R381 IonicContact OE2-NE 3.45Å; E312-R381 IonicContact OE2-NH1 3.73Å; E312-R381 PolarHBondContact OE2-NH1 2.99Å; R314-R381 VanDerWaalsContact NH2-NH1 3.16Å; V340-R381 HydrophobicContact CG1-CB 3.85Å; I341-R381 PolarHBondContact O-N 3.21Å; L342-R381 HydrophobicContact CD1-CB 4.1Å; L342-R381 HydrophobicContact CD1-CG 4.09Å; D343-R381 PolarHBondContact N-O 3.19Å
382F82.5Confident81.4Confident0 Ų048.5 Ų48.50%026%0.26CS..EExtended strand (participates in β ladder)trans-93.8122.9178.1-174.3-92.5000110.8D343 P346 N391 L394 F395 L398 Y412D343-F382 HydrophobicContact CB-CD2 3.91Å; P346-F382 HydrophobicContact CB-CE1 4.48Å; P346-F382 HydrophobicContact CB-CZ 4.17Å; P346-F382 HydrophobicContact CG-CD2 4.33Å; P346-F382 HydrophobicContact CG-CE1 3.74Å; P346-F382 HydrophobicContact CG-CE2 3.49Å; P346-F382 VanDerWaalsContact CG-CE2 3.49Å; P346-F382 HydrophobicContact CG-CZ 3.17Å; F382-N391 HydrophobicContact CE1-CB 4Å; F382-N391 HydrophobicContact CZ-CB 4.34Å; F382-N391 VanDerWaalsContact CZ-O 3.22Å; F382-N391 WeakPolarHBondContact CZ-O 3.34Å; F382-L394 HydrophobicContact CE2-CB 4.27Å; F382-L394 HydrophobicContact CZ-CB 4.24Å; F382-F395 HydrophobicContact CB-CD2 4.08Å; F382-F395 HydrophobicContact CB-CE2 4.19Å; F382-F395 HydrophobicContact CD1-CD2 4.27Å; F382-F395 HydrophobicContact CD2-CB 4.32Å; F382-F395 AromaticContact CD2-CD2 3.59Å; F382-F395 HydrophobicContact CD2-CD2 3.59Å; F382-F395 HydrophobicContact CD2-CE2 4.45Å; F382-F395 HydrophobicContact CD2-CG 4.45Å; F382-F395 HydrophobicContact CE1-CB 4.41Å; F382-F395 HydrophobicContact CE2-CB 3.78Å; F382-F395 AromaticContact CE2-CD2 3.94Å; F382-F395 HydrophobicContact CE2-CD2 3.94Å; F382-F395 HydrophobicContact CE2-CG 4.38Å; F382-F395 AromaticContact CG-CD2 3.73Å; F382-F395 HydrophobicContact CG-CD2 3.73Å; F382-F395 HydrophobicContact CG-CE2 4.34Å; F382-F395 HydrophobicContact CZ-CB 3.79Å; F382-F395 HydrophobicContact CZ-CD2 4.38Å; F382-L398 HydrophobicContact CD2-CD1 4.43Å; F382-Y412 HydrophobicContact CB-CD2 4.22Å; F382-Y412 HydrophobicContact CB-CG 4.5Å; F382-Y412 AromaticContact CD1-CD2 3.47Å; F382-Y412 HydrophobicContact CD1-CD2 3.47Å; F382-Y412 VanDerWaalsContact CD1-CD2 3.47Å; F382-Y412 AromaticContact CD1-CE2 3.81Å; F382-Y412 HydrophobicContact CD1-CE2 3.81Å; F382-Y412 HydrophobicContact CD1-CG 4.43Å; F382-Y412 HydrophobicContact CE1-CD2 4.17Å; F382-Y412 HydrophobicContact CE1-CE2 4.03Å; F382-Y412 HydrophobicContact CG-CD2 4.2Å
383I81.3Confident81.3Confident24 Ų2452.3 Ų52.312%0.12328%0.275CS..  trans-104.397.6178.3-53-178.1000108.1L342 D343 P346 V347 K364L342-I383 HydrophobicContact CD1-CD1 3.82Å; L342-I383 HydrophobicContact CD1-CG1 4.25Å; D343-I383 PolarHBondContact O-N 2.9Å; P346-I383 WeakPolarHBondContact CB-O 3.49Å; P346-I383 WeakPolarHBondContact CD-O 3.44Å; P346-I383 WeakPolarHBondContact CG-O 3.06Å; V347-I383 HydrophobicContact CB-CG2 4.04Å; V347-I383 HydrophobicContact CG1-CB 4.39Å; V347-I383 HydrophobicContact CG1-CG2 3.84Å; V347-I383 PolarHBondContact N-O 2.82Å; K364-I383 HydrophobicContact CD-CD1 3.93Å; K364-I383 HydrophobicContact CG-CD1 4.23Å; K364-I383 HydrophobicContact CG-CG2 4.3Å
384G79.1Confident81Confident20 Ų2049.7 Ų49.721%0.20626%0.261CS..  trans-70.3160.1179.500000113.8N391G384-N391 WeakPolarHBondContact CA-OD1 3.26Å
385S76.5Confident80.5Confident17 Ų1751 Ų5112%0.11927%0.266CS..  trans-81.5-177159.263.20000110.6D387 Q390 N391S385-D387 VanDerWaalsContact C-N 3.26Å; S385-D387 PolarHBondContact OG-N 3.25Å; S385-D387 PolarHBondContact OG-O 2.94Å; S385-Q390 PolarHBondContact OG-OE1 3.47Å; S385-N391 PolarHBondContact N-ND2 3.24Å; S385-N391 PolarHBondContact N-OD1 3.31Å; S385-N391 PolarHBondContact O-ND2 2.95Å; S385-N391 PolarHBondContact OG-OD1 2.86Å
386D76.7Confident80.1Confident93 Ų9355.3 Ų55.350%0.49728%0.283SS..SBendtrans-76.9-12169.364.9-43.8000113.3H353 I357 M388H353-D386 IonicContact CE1-OD1 2.77Å; H353-D386 IonicContact CE1-OD2 3.33Å; H353-D386 PolarHBondContact CE1-OD2 2.85Å; H353-D386 IonicContact NE2-OD2 3.33Å; H353-D386 PolarHBondContact NE2-OD2 3.45Å; I357-D386 HydrophobicContact CD1-CB 4.12Å; I357-D386 WeakPolarHBondContact CD1-OD1 3.43Å; D386-M388 PolarHBondContact O-N 3.18Å
387D76.6Confident79.8Confident72 Ų7253.5 Ų53.539%0.38527%0.272SS..  trans-87.8103.2172.7-176.1-16.2000110.9S385 T389 Q390 N391S385-D387 VanDerWaalsContact C-N 3.26Å; S385-D387 PolarHBondContact OG-N 3.25Å; S385-D387 PolarHBondContact OG-O 2.94Å; D387-T389 VanDerWaalsContact C-N 3.26Å; D387-T389 PolarHBondContact O-N 3.25Å; D387-T389 WeakPolarHBondContact OD1-CA 3.29Å; D387-T389 WeakPolarHBondContact OD1-CB 3.06Å; D387-T389 PolarHBondContact OD1-N 3.4Å; D387-Q390 HydrophobicContact CB-CB 3.9Å; D387-Q390 PolarHBondContact O-N 2.88Å; D387-Q390 PolarHBondContact OD1-N 2.63Å; D387-Q390 VanDerWaalsContact OD1-N 3.08Å; D387-N391 WeakPolarHBondContact O-CB 3.23Å; D387-N391 PolarHBondContact O-N 2.85Å; D387-N391 PolarHBondContact O-ND2 3.09Å
388M79.3Confident79.2Confident82 Ų8253 Ų5340%0.40427%0.27SS..Hα-helixtrans-65.9-24.4179.3-71.8-58-55.600114D386 R392D386-M388 PolarHBondContact O-N 3.18Å; M388-R392 WeakPolarHBondContact O-CG 3.33Å; M388-R392 PolarHBondContact O-N 3.19Å; M388-R392 VanDerWaalsContact O-N 3.12Å
389T79.5Confident78.3Confident93 Ų9354.8 Ų54.857%0.57128%0.281SS*.Hα-helixtrans-75.2-50.4177.9-53.90000109.6D387 N391 R392 E393D387-T389 VanDerWaalsContact C-N 3.26Å; D387-T389 PolarHBondContact O-N 3.25Å; D387-T389 WeakPolarHBondContact OD1-CA 3.29Å; D387-T389 WeakPolarHBondContact OD1-CB 3.06Å; D387-T389 PolarHBondContact OD1-N 3.4Å; T389-N391 VanDerWaalsContact C-N 3.25Å; T389-N391 PolarHBondContact O-N 2.98Å; T389-R392 WeakPolarHBondContact O-CB 3.16Å; T389-R392 PolarHBondContact O-N 2.84Å; T389-E393 PolarHBondContact O-N 2.65Å
390Q79.4Confident77.1Confident46 Ų4662.3 Ų62.322%0.21531%0.309CS..Hα-helixtrans-56.6-41.7173.3-177-175.758.100111.4S385 D387 R392 E393 L394S385-Q390 PolarHBondContact OG-OE1 3.47Å; D387-Q390 HydrophobicContact CB-CB 3.9Å; D387-Q390 PolarHBondContact O-N 2.88Å; D387-Q390 PolarHBondContact OD1-N 2.63Å; D387-Q390 VanDerWaalsContact OD1-N 3.08Å; Q390-R392 VanDerWaalsContact C-N 3.35Å; Q390-R392 PolarHBondContact O-N 2.93Å; Q390-E393 PolarHBondContact O-N 2.62Å; Q390-L394 HydrophobicContact CG-CD1 3.98Å; Q390-L394 WeakPolarHBondContact O-CB 3.39Å; Q390-L394 PolarHBondContact O-N 2.92Å
391N80.8Confident75.7Confident3 Ų366.8 Ų66.82%0.01633%0.329CS..Hα-helixtrans-58.7-45.4175.2-74.5-24.2000112P346 F382 G384 S385 D387 T389 F395P346-N391 VanDerWaalsContact CB-OD1 3.29Å; P346-N391 WeakPolarHBondContact CB-OD1 3.43Å; F382-N391 HydrophobicContact CE1-CB 4Å; F382-N391 HydrophobicContact CZ-CB 4.34Å; F382-N391 VanDerWaalsContact CZ-O 3.22Å; F382-N391 WeakPolarHBondContact CZ-O 3.34Å; G384-N391 WeakPolarHBondContact CA-OD1 3.26Å; S385-N391 PolarHBondContact N-ND2 3.24Å; S385-N391 PolarHBondContact N-OD1 3.31Å; S385-N391 PolarHBondContact O-ND2 2.95Å; S385-N391 PolarHBondContact OG-OD1 2.86Å; D387-N391 WeakPolarHBondContact O-CB 3.23Å; D387-N391 PolarHBondContact O-N 2.85Å; D387-N391 PolarHBondContact O-ND2 3.09Å; T389-N391 VanDerWaalsContact C-N 3.25Å; T389-N391 PolarHBondContact O-N 2.98Å; N391-F395 WeakPolarHBondContact O-CB 3.17Å; N391-F395 PolarHBondContact O-N 3.47Å
392R81.4Confident73.8Confident165 Ų16576.4 Ų76.462%0.62337%0.365SS*.Hα-helixtrans-63.5-44.6177.9-77.9177-177.3-165.82.6111.7M388 T389 Q390 F395 Q396M388-R392 WeakPolarHBondContact O-CG 3.33Å; M388-R392 PolarHBondContact O-N 3.19Å; M388-R392 VanDerWaalsContact O-N 3.12Å; T389-R392 WeakPolarHBondContact O-CB 3.16Å; T389-R392 PolarHBondContact O-N 2.84Å; Q390-R392 VanDerWaalsContact C-N 3.35Å; Q390-R392 PolarHBondContact O-N 2.93Å; R392-F395 PolarHBondContact O-N 2.77Å; R392-Q396 WeakPolarHBondContact O-CB 3.38Å; R392-Q396 WeakPolarHBondContact O-CG 3.31Å; R392-Q396 PolarHBondContact O-N 3.39Å
393E81.9Confident71.9Confident125 Ų12582 Ų8258%0.58440%0.395SS*.Hα-helixtrans-60.4-51.9178.8-71.8177.4178.400111.6T389 Q390 F395 Q396 T397T389-E393 PolarHBondContact O-N 2.65Å; Q390-E393 PolarHBondContact O-N 2.62Å; E393-F395 VanDerWaalsContact C-N 3.33Å; E393-F395 PolarHBondContact O-N 2.91Å; E393-Q396 PolarHBondContact O-N 3.3Å; E393-T397 PolarHBondContact O-N 3.33Å
394L78.4Confident70.4Confident36 Ų3683.4 Ų83.419%0.18840%0.399CS..Hα-helixtrans-63.7-40.1179.3-73.2172.6000111.8P346 F382 Q390 Q396 T397P346-L394 VanDerWaalsContact CA-CD1 3.47Å; P346-L394 HydrophobicContact CB-CD1 3.69Å; P346-L394 HydrophobicContact CG-CB 4.16Å; P346-L394 HydrophobicContact CG-CD1 3.65Å; F382-L394 HydrophobicContact CE2-CB 4.27Å; F382-L394 HydrophobicContact CZ-CB 4.24Å; Q390-L394 HydrophobicContact CG-CD1 3.98Å; Q390-L394 WeakPolarHBondContact O-CB 3.39Å; Q390-L394 PolarHBondContact O-N 2.92Å; L394-Q396 VanDerWaalsContact C-N 3.29Å; L394-Q396 PolarHBondContact O-N 3.43Å; L394-T397 WeakPolarHBondContact O-CB 3.41Å; L394-T397 PolarHBondContact O-N 2.89Å; L394-T397 PolarHBondContact O-OG1 3.5Å
395F76.1Confident68.7Low32 Ų3286 Ų8614%0.1440%0.403CS..Hα-helixtrans-64.4-34.2177.5-171.5-106000112.5F382 N391 R392 E393 T397 L398 Y405 Y412F382-F395 HydrophobicContact CB-CD2 4.08Å; F382-F395 HydrophobicContact CB-CE2 4.19Å; F382-F395 HydrophobicContact CD1-CD2 4.27Å; F382-F395 HydrophobicContact CD2-CB 4.32Å; F382-F395 AromaticContact CD2-CD2 3.59Å; F382-F395 HydrophobicContact CD2-CD2 3.59Å; F382-F395 HydrophobicContact CD2-CE2 4.45Å; F382-F395 HydrophobicContact CD2-CG 4.45Å; F382-F395 HydrophobicContact CE1-CB 4.41Å; F382-F395 HydrophobicContact CE2-CB 3.78Å; F382-F395 AromaticContact CE2-CD2 3.94Å; F382-F395 HydrophobicContact CE2-CD2 3.94Å; F382-F395 HydrophobicContact CE2-CG 4.38Å; F382-F395 AromaticContact CG-CD2 3.73Å; F382-F395 HydrophobicContact CG-CD2 3.73Å; F382-F395 HydrophobicContact CG-CE2 4.34Å; F382-F395 HydrophobicContact CZ-CB 3.79Å; F382-F395 HydrophobicContact CZ-CD2 4.38Å; N391-F395 WeakPolarHBondContact O-CB 3.17Å; N391-F395 PolarHBondContact O-N 3.47Å; R392-F395 PolarHBondContact O-N 2.77Å; E393-F395 VanDerWaalsContact C-N 3.33Å; E393-F395 PolarHBondContact O-N 2.91Å; F395-T397 PolarHBondContact O-N 2.89Å; F395-L398 HydrophobicContact CD2-CD1 3.92Å; F395-L398 HydrophobicContact CE2-CD1 4.18Å; F395-L398 WeakPolarHBondContact O-CB 3.47Å; F395-L398 PolarHBondContact O-N 3.31Å; F395-Y405 HydrophobicContact CD1-CD1 4.32Å; F395-Y405 HydrophobicContact CD1-CE1 4.44Å; F395-Y405 AromaticContact CE1-CD1 3.35Å; F395-Y405 HydrophobicContact CE1-CD1 3.35Å; F395-Y405 AromaticContact CE1-CE1 3.74Å; F395-Y405 HydrophobicContact CE1-CE1 3.74Å; F395-Y405 HydrophobicContact CE1-CG 4.41Å; F395-Y405 AromaticContact CZ-CD1 3.73Å; F395-Y405 HydrophobicContact CZ-CD1 3.73Å; F395-Y405 HydrophobicContact CZ-CE1 4.02Å; F395-Y412 HydrophobicContact CE2-CD1 4.39Å; F395-Y412 HydrophobicContact CE2-CG 4.28Å; F395-Y412 HydrophobicContact CZ-CD1 4.25Å
396Q78.2Confident66.8Low110 Ų11091 Ų9151%0.51443%0.427SS..Hα-helixtrans-69.1-16.8176.9-75.5177.925.900113.9R392 E393 L394 L398R392-Q396 WeakPolarHBondContact O-CB 3.38Å; R392-Q396 WeakPolarHBondContact O-CG 3.31Å; R392-Q396 PolarHBondContact O-N 3.39Å; E393-Q396 PolarHBondContact O-N 3.3Å; L394-Q396 VanDerWaalsContact C-N 3.29Å; L394-Q396 PolarHBondContact O-N 3.43Å; Q396-L398 VanDerWaalsContact C-N 3.26Å; Q396-L398 PolarHBondContact O-N 3.48Å
397T76.7Confident64.8Low84 Ų8492 Ų9252%0.51544%0.439SS..THydrogen-bonded Turntrans-73.9-15.3175.169.40000113.6R345 E393 L394 F395R345-T397 PolarHBondContact NH1-OG1 3.49Å; R345-T397 PolarHBondContact NH2-OG1 3.38Å; E393-T397 PolarHBondContact O-N 3.33Å; L394-T397 WeakPolarHBondContact O-CB 3.41Å; L394-T397 PolarHBondContact O-N 2.89Å; L394-T397 PolarHBondContact O-OG1 3.5Å; F395-T397 PolarHBondContact O-N 2.89Å
398L70.2Confident62.9Low6 Ų691.6 Ų91.63%0.03144%0.441CS..SBendtrans-71.1144.9178-68.1166.3000110.2V369 I380 F382 F395 Q396 R400 Y405V369-L398 HydrophobicContact CG1-CD2 3.95Å; I380-L398 HydrophobicContact CD1-CD1 4.37Å; I380-L398 HydrophobicContact CG2-CD1 3.97Å; F382-L398 HydrophobicContact CD2-CD1 4.43Å; F395-L398 HydrophobicContact CD2-CD1 3.92Å; F395-L398 HydrophobicContact CE2-CD1 4.18Å; F395-L398 WeakPolarHBondContact O-CB 3.47Å; F395-L398 PolarHBondContact O-N 3.31Å; Q396-L398 VanDerWaalsContact C-N 3.26Å; Q396-L398 PolarHBondContact O-N 3.48Å; L398-R400 PolarHBondContact O-N 3.37Å; L398-Y405 PolarHBondContact O-OH 2.97Å
399P63.1Low60.7Low70 Ų7090.7 Ų90.746%0.45545%0.453SS..  trans-52.5115.5-175.3-20.226.1000111.5A371 H401 Y405A371-P399 HydrophobicContact CB-CG 4.04Å; P399-H401 PolarHBondContact O-N 3.3Å; P399-Y405 PolarHBondContact O-OH 2.95Å
400R55Low58.4Low165 Ų16595.5 Ų95.562%0.62347%0.466SS*.  trans-76.674.6173.5-66.6-174.6-178.3-179.92.1109.5L398 R402 Y405L398-R400 PolarHBondContact O-N 3.37Å; R400-R402 PolarHBondContact O-N 2.92Å; R400-Y405 VanDerWaalsContact CA-OH 3.28Å; R400-Y405 WeakPolarHBondContact CA-OH 3.44Å; R400-Y405 HydrophobicContact CB-CE2 4.23Å; R400-Y405 HydrophobicContact CG-CE2 3.88Å; R400-Y405 WeakPolarHBondContact CG-OH 3.46Å
401H53.2Low56.2Low114 Ų11497.1 Ų97.153%0.52848%0.479SS..  trans-67.5130.3153.8-88-73.7000106.9P399 N403 W404P399-H401 PolarHBondContact O-N 3.3Å; H401-N403 PolarHBondContact O-N 3.16Å; H401-W404 VanDerWaalsContact C-CD1 3.45Å; H401-W404 HydrophobicContact CB-CD2 4.24Å; H401-W404 HydrophobicContact CB-CG 4.1Å; H401-W404 HydrophobicContact CB-CZ2 4.12Å; H401-W404 WeakPolarHBondContact O-CB 3.37Å; H401-W404 PolarHBondContact O-N 2.93Å
402R43.1Very low53.9Low247 Ų24798 Ų9893%0.93248%0.482SS*.SBendtrans-55-12.2-160.2-90.8178.2175.5175.7-1.6116.8R400R400-R402 PolarHBondContact O-N 2.92Å
403N43.5Very low51.8Low118 Ų11893.7 Ų93.763%0.63147%0.474SS*.SBendtrans-121.659.2-178.6-61.9-21.9000110.5H401 F416H401-N403 PolarHBondContact O-N 3.16Å; N403-F416 HydrophobicContact CB-CE1 3.89Å; N403-F416 HydrophobicContact CB-CZ 4.19Å; N403-F416 WeakPolarHBondContact O-CD2 3.19Å; N403-F416 WeakPolarHBondContact O-CE1 3.5Å; N403-F416 WeakPolarHBondContact O-CE2 3.37Å; N403-F416 WeakPolarHBondContact O-CZ 3.31Å
404W50.2Low49.9Very low53 Ų5389.5 Ų89.520%0.20145%0.454CS..  trans-127.4-0.6-170.4-75.457.5000116.8L373 P378 I380 H401 K414 F416L373-W404 HydrophobicContact CD1-CH2 4.4Å; L373-W404 HydrophobicContact CD1-CZ2 4.37Å; L373-W404 HydrophobicContact CD2-CH2 3.58Å; L373-W404 HydrophobicContact CD2-CZ2 4.1Å; L373-W404 HydrophobicContact CG-CH2 4.33Å; P378-W404 HydrophobicContact CB-CH2 3.62Å; P378-W404 HydrophobicContact CB-CZ2 4.36Å; P378-W404 HydrophobicContact CB-CZ3 3.81Å; P378-W404 HydrophobicContact CG-CE3 4.41Å; P378-W404 HydrophobicContact CG-CH2 3.39Å; P378-W404 HydrophobicContact CG-CZ2 3.64Å; P378-W404 HydrophobicContact CG-CZ3 3.76Å; I380-W404 HydrophobicContact CD1-CE3 3.91Å; I380-W404 HydrophobicContact CD1-CZ3 4.01Å; I380-W404 HydrophobicContact CG1-CZ3 4.48Å; H401-W404 VanDerWaalsContact C-CD1 3.45Å; H401-W404 HydrophobicContact CB-CD2 4.24Å; H401-W404 HydrophobicContact CB-CG 4.1Å; H401-W404 HydrophobicContact CB-CZ2 4.12Å; H401-W404 WeakPolarHBondContact O-CB 3.37Å; H401-W404 PolarHBondContact O-N 2.93Å; W404-K414 VanDerWaalsContact C-NZ 3.29Å; W404-K414 WeakPolarHBondContact O-CD 3.21Å; W404-F416 VanDerWaalsContact CA-CE2 3.43Å
405Y42.4Very low47.7Very low75 Ų7591.1 Ų91.129%0.29446%0.457SS..  trans-130.7133.4-170.4-49.4-71.6000118.9F395 L398 P399 R400 K414F395-Y405 HydrophobicContact CD1-CD1 4.32Å; F395-Y405 HydrophobicContact CD1-CE1 4.44Å; F395-Y405 AromaticContact CE1-CD1 3.35Å; F395-Y405 HydrophobicContact CE1-CD1 3.35Å; F395-Y405 AromaticContact CE1-CE1 3.74Å; F395-Y405 HydrophobicContact CE1-CE1 3.74Å; F395-Y405 HydrophobicContact CE1-CG 4.41Å; F395-Y405 AromaticContact CZ-CD1 3.73Å; F395-Y405 HydrophobicContact CZ-CD1 3.73Å; F395-Y405 HydrophobicContact CZ-CE1 4.02Å; L398-Y405 PolarHBondContact O-OH 2.97Å; P399-Y405 PolarHBondContact O-OH 2.95Å; R400-Y405 VanDerWaalsContact CA-OH 3.28Å; R400-Y405 WeakPolarHBondContact CA-OH 3.44Å; R400-Y405 HydrophobicContact CB-CE2 4.23Å; R400-Y405 HydrophobicContact CG-CE2 3.88Å; R400-Y405 WeakPolarHBondContact CG-OH 3.46Å; Y405-K414 PolarHBondContact O-NZ 2.91Å
406I36.2Very low45.6Very low121 Ų12193.8 Ų93.862%0.62147%0.469SS*.  trans-143.6130.6162.5-66.3170.5000104.6
407P35.7Very low43.4Very low115 Ų11596 Ų9675%0.74748%0.479SS*.  trans-77.2126.21800.916000110.8
408C36.7Very low41.2Very low63 Ų63103.3 Ų103.343%0.42650%0.497SS..  trans-120.8131.6165.6-179.90000109
409G32.7Very low39.3Very low63 Ų63108.1 Ų108.165%0.64953%0.531SS*.SBendtrans-64.4133.6-176.600000113T411G409-T411 PolarHBondContact O-N 3.07Å
410K32.6Very low37.5Very low195 Ų195113.5 Ų113.585%0.84855%0.55SS**SBendtrans68.3-22.7173.2-58.9-169.3177.6-175.70118
411T32Very low36.2Very low79 Ų79112.8 Ų112.849%0.48555%0.554SS.*SBendtrans-145.3115.7170.5-42.50000108.7G409 V413G409-T411 PolarHBondContact O-N 3.07Å; T411-V413 HydrophobicContact CG2-CG2 4.38Å; T411-V413 PolarHBondContact O-N 2.92Å
412Y33.2Very low35Very low22 Ų22113.7 Ų113.79%0.08656%0.557CS.*BIsolated β-bridgetrans-86.2113.7175.5-56.3-102.2000108.6F382 F395F382-Y412 HydrophobicContact CB-CD2 4.22Å; F382-Y412 HydrophobicContact CB-CG 4.5Å; F382-Y412 AromaticContact CD1-CD2 3.47Å; F382-Y412 HydrophobicContact CD1-CD2 3.47Å; F382-Y412 VanDerWaalsContact CD1-CD2 3.47Å; F382-Y412 AromaticContact CD1-CE2 3.81Å; F382-Y412 HydrophobicContact CD1-CE2 3.81Å; F382-Y412 HydrophobicContact CD1-CG 4.43Å; F382-Y412 HydrophobicContact CE1-CD2 4.17Å; F382-Y412 HydrophobicContact CE1-CE2 4.03Å; F382-Y412 HydrophobicContact CG-CD2 4.2Å; F395-Y412 HydrophobicContact CE2-CD1 4.39Å; F395-Y412 HydrophobicContact CE2-CG 4.28Å; F395-Y412 HydrophobicContact CZ-CD1 4.25Å
413V37Very low34.2Very low75 Ų75110 Ų11046%0.45554%0.543SS..  trans-125.9126.6166.4171.50000105.6L379 T411L379-V413 HydrophobicContact CD1-CG1 3.91Å; T411-V413 HydrophobicContact CG2-CG2 4.38Å; T411-V413 PolarHBondContact O-N 2.92Å
414K41.5Very low33.4Very low36 Ų36110.6 Ų110.616%0.15755%0.546CS..  trans-127.5127.3-178.1-146.4-169.5179.1-160.50112.4W404 Y405 F416W404-K414 VanDerWaalsContact C-NZ 3.29Å; W404-K414 WeakPolarHBondContact O-CD 3.21Å; Y405-K414 PolarHBondContact O-NZ 2.91Å; K414-F416 HydrophobicContact CD-CD2 4.26Å; K414-F416 HydrophobicContact CD-CE2 3.66Å; K414-F416 VanDerWaalsContact CE-CE2 3.5Å
415R33.3Very low32.2Very low71 Ų71116.4 Ų116.427%0.26857%0.573SS.*  trans-110.3140.5168.7-158.8-137.6-1661514.1109.4I277 G278I277-R415 PolarHBondContact O-NH1 3.25Å; I277-R415 PolarHBondContact O-NH2 2.84Å; G278-R415 VanDerWaalsContact C-NE 3.28Å; G278-R415 VanDerWaalsContact C-NH2 3.31Å; G278-R415 VanDerWaalsContact CA-CD 3.44Å; G278-R415 VanDerWaalsContact CA-NH1 3.26Å; G278-R415 PolarHBondContact O-NE 3.12Å; G278-R415 PolarHBondContact O-NH2 3.29Å
416F31Very low31.5Very low88 Ų88118.2 Ų118.239%0.38658%0.583SS.*  trans-114.8118.8171.7-99.1-88.3000109.9N403 W404 K414N403-F416 HydrophobicContact CB-CE1 3.89Å; N403-F416 HydrophobicContact CB-CZ 4.19Å; N403-F416 WeakPolarHBondContact O-CD2 3.19Å; N403-F416 WeakPolarHBondContact O-CE1 3.5Å; N403-F416 WeakPolarHBondContact O-CE2 3.37Å; N403-F416 WeakPolarHBondContact O-CZ 3.31Å; W404-F416 VanDerWaalsContact CA-CE2 3.43Å; K414-F416 HydrophobicContact CD-CD2 4.26Å; K414-F416 HydrophobicContact CD-CE2 3.66Å; K414-F416 VanDerWaalsContact CE-CE2 3.5Å
417Q31.6Very low31.2Very low155 Ų155118.1 Ų118.172%0.72459%0.593SS**  trans-155.6148.6146.3-117.8-176.9-12.700110.5
418R30.8Very low30.9Very low238 Ų238116.7 Ų116.790%0.89858%0.579SS**  trans-67.9150.1-168.4-102.8174170.5170.4-4.3113.5
419S30.1Very low30.5Very low107 Ų107117.2 Ų117.275%0.74858%0.578SS**SBendtrans56.3115.6154.253.40000118.4
420E26.7Very low30.6Very low183 Ų183121.5 Ų121.586%0.85559%0.585SS**SBendtrans75.4124.9168.1-51.1-139.4139.300116.5
421Q26.5Very low30.5Very low150 Ų150117.4 Ų117.470%0.70157%0.567SS**  trans73.573.8171.6-50.3-173.65.700118.5
422F28.8Very low30.6Very low134 Ų134116.1 Ų116.159%0.58856%0.561SS**  trans-14483.6149.7-102.9-86000111.2R276 L424 F425R276-F422 WeakPolarHBondContact O-CZ 3.49Å; F422-L424 PolarHBondContact O-N 2.95Å; F422-F425 HydrophobicContact CD1-CD2 4.18Å; F422-F425 AromaticContact CE1-CD2 3.53Å; F422-F425 HydrophobicContact CE1-CD2 3.53Å; F422-F425 AromaticContact CE1-CE2 3.79Å; F422-F425 HydrophobicContact CE1-CE2 3.79Å; F422-F425 HydrophobicContact CZ-CE2 4.43Å
423R25.2Very low30.7Very low170 Ų170121.3 Ų121.364%0.64259%0.586SS**  trans-59.6128.4151-80.5-178.1-140165.48.8107.1F425 L429 E433R423-F425 PolarHBondContact O-N 2.89Å; R423-L429 HydrophobicContact CB-CD1 3.79Å; R423-L429 HydrophobicContact CB-CD2 4.05Å; R423-E433 IonicContact CZ-OE1 2.95Å; R423-E433 IonicContact NH1-OE1 2.86Å; R423-E433 PolarHBondContact NH1-OE1 3.37Å; R423-E433 IonicContact NH2-OE1 3.6Å
424L26.9Very low30.7Very low130 Ų130120.7 Ų120.768%0.68158%0.578SS**  trans-1.4106.8162.8-82134.5000115.3F422 H426 L429F422-L424 PolarHBondContact O-N 2.95Å; L424-H426 PolarHBondContact O-N 3.4Å; L424-L429 WeakPolarHBondContact O-CD1 3.32Å
425F26.2Very low30.7Very low175 Ų175120.9 Ų120.977%0.76859%0.586SS**  trans-68.264.7154.5-123.2-104000109F422 R423F422-F425 HydrophobicContact CD1-CD2 4.18Å; F422-F425 AromaticContact CE1-CD2 3.53Å; F422-F425 HydrophobicContact CE1-CD2 3.53Å; F422-F425 AromaticContact CE1-CE2 3.79Å; F422-F425 HydrophobicContact CE1-CE2 3.79Å; F422-F425 HydrophobicContact CZ-CE2 4.43Å; R423-F425 PolarHBondContact O-N 2.89Å
426H27.5Very low31.1Very low113 Ų113122.3 Ų122.352%0.52360%0.603SS.*SBendtrans-76.8150.8137.4-84.4-3.9000106.2L424 N428L424-H426 PolarHBondContact O-N 3.4Å; H426-N428 HydrophobicContact CB-CB 3.92Å; H426-N428 PolarHBondContact O-N 3.08Å
427S29.1Very low31.7Very low118 Ų118127.5 Ų127.583%0.82562%0.622SS**THydrogen-bonded Turntrans-60.132.1162.552.20000113
428N30Very low32.7Very low85 Ų85123 Ų12346%0.45560%0.6SS.*THydrogen-bonded Turntrans-109-12.3179.8-72.2-12.2000111.9H426 F431 S432H426-N428 HydrophobicContact CB-CB 3.92Å; H426-N428 PolarHBondContact O-N 3.08Å; N428-F431 CarbonylContact O-C 3.37Å; N428-F431 PolarHBondContact O-N 2.95Å; N428-F431 VanDerWaalsContact O-N 3.17Å; N428-S432 WeakPolarHBondContact O-CA 3.42Å; N428-S432 WeakPolarHBondContact O-CB 3.18Å; N428-S432 PolarHBondContact O-N 3.03Å; N428-S432 PolarHBondContact O-OG 2.96Å; N428-S432 VanDerWaalsContact O-OG 3.07Å
429L28.5Very low33.8Very low75 Ų75120.7 Ų120.739%0.39359%0.592SS.*THydrogen-bonded Turntrans-83.5-14.3-174.7-102.7106000117.4R423 L424 F431R423-L429 HydrophobicContact CB-CD1 3.79Å; R423-L429 HydrophobicContact CB-CD2 4.05Å; L424-L429 WeakPolarHBondContact O-CD1 3.32Å; L429-F431 VanDerWaalsContact C-N 3.32Å
430L33.5Very low35.2Very low152 Ų152123.3 Ų123.380%0.79659%0.592SS**THydrogen-bonded Turntrans-84.5-12.3162.2-86.5162.9000112.1F434L430-F434 WeakPolarHBondContact O-CB 3.19Å
431F32.2Very low36.7Very low109 Ų109115.4 Ų115.448%0.47856%0.556SS.*THydrogen-bonded Turntrans-111.5-14.3179.9-91.2-82.7000113.7N428 L429 A435N428-F431 CarbonylContact O-C 3.37Å; N428-F431 PolarHBondContact O-N 2.95Å; N428-F431 VanDerWaalsContact O-N 3.17Å; L429-F431 VanDerWaalsContact C-N 3.32Å; F431-A435 VanDerWaalsContact O-CA 3.31Å; F431-A435 WeakPolarHBondContact O-CA 3.49Å; F431-A435 WeakPolarHBondContact O-CB 3.25Å; F431-A435 PolarHBondContact O-N 3.15Å
432S34Very low38.5Very low52 Ų52111.1 Ų111.136%0.36454%0.541SS..THydrogen-bonded Turntrans-91.5-24.9-168.764.90000113.2N428 T436N428-S432 WeakPolarHBondContact O-CA 3.42Å; N428-S432 WeakPolarHBondContact O-CB 3.18Å; N428-S432 PolarHBondContact O-N 3.03Å; N428-S432 PolarHBondContact O-OG 2.96Å; N428-S432 VanDerWaalsContact O-OG 3.07Å; S432-T436 PolarHBondContact O-OG1 3.3Å; S432-T436 VanDerWaalsContact O-OG1 3.04Å
433E33.9Very low40.4Very low131 Ų131107.3 Ų107.361%0.61253%0.531SS*.THydrogen-bonded Turntrans-87.8-26.2165.6-72-177.8173.800110.5R423 T436R423-E433 IonicContact CZ-OE1 2.95Å; R423-E433 IonicContact NH1-OE1 2.86Å; R423-E433 PolarHBondContact NH1-OE1 3.37Å; R423-E433 IonicContact NH2-OE1 3.6Å; E433-T436 PolarHBondContact O-OG1 3.25Å
434F36.7Very low42.6Very low62 Ų62101 Ų10127%0.27252%0.515SS..G310 helixtrans-74.6-33.1172.2-124.4-92.9000114.1L430 T436 L497 E500 M501L430-F434 WeakPolarHBondContact O-CB 3.19Å; F434-T436 VanDerWaalsContact C-N 3.28Å; F434-T436 PolarHBondContact O-N 3.02Å; F434-L497 HydrophobicContact CD1-CD1 3.7Å; F434-L497 HydrophobicContact CE1-CD1 3.44Å; F434-L497 VanDerWaalsContact CE1-CD1 3.44Å; F434-L497 HydrophobicContact CG-CD1 4.42Å; F434-L497 HydrophobicContact CZ-CD1 3.99Å; F434-E500 HydrophobicContact CE1-CB 3.85Å; F434-E500 HydrophobicContact CE1-CG 3.58Å; F434-E500 VanDerWaalsContact CE1-OE2 3.3Å; F434-E500 WeakPolarHBondContact CE1-OE2 3.44Å; F434-E500 HydrophobicContact CZ-CB 4.17Å; F434-E500 HydrophobicContact CZ-CG 3.97Å; F434-M501 HydrophobicContact CE1-CG 4.47Å; F434-M501 HydrophobicContact CE2-CG 3.8Å; F434-M501 HydrophobicContact CZ-CB 4.46Å; F434-M501 HydrophobicContact CZ-CG 3.43Å; F434-M501 VanDerWaalsContact CZ-CG 3.43Å
435A41.8Very low44.8Very low41 Ų4195 Ų9534%0.33948%0.484SS..G310 helixtrans-86.28.8-175.200000114.5F431 R439F431-A435 VanDerWaalsContact O-CA 3.31Å; F431-A435 WeakPolarHBondContact O-CA 3.49Å; F431-A435 WeakPolarHBondContact O-CB 3.25Å; F431-A435 PolarHBondContact O-N 3.15Å; A435-R439 PolarHBondContact O-NE 2.96Å
436T43Very low47Very low101 Ų10191.5 Ų91.562%0.6247%0.473SS*.G310 helixtrans-94.9-7.6-179.8-13.30000113.1S432 E433 F434S432-T436 PolarHBondContact O-OG1 3.3Å; S432-T436 VanDerWaalsContact O-OG1 3.04Å; E433-T436 PolarHBondContact O-OG1 3.25Å; F434-T436 VanDerWaalsContact C-N 3.28Å; F434-T436 PolarHBondContact O-N 3.02Å
437Y43.7Very low49.4Very low197 Ų19793 Ų9377%0.77348%0.478SS*.THydrogen-bonded Turntrans-117.5-31.7-176.5-128-111.1000116.4
438H51.5Low51.5Low60 Ų6087.9 Ų87.928%0.27844%0.444SS..  trans-140.775-179.6-67.8-65.7000115.6Q440 E500 T506 H510H438-Q440 PolarHBondContact O-N 3.49Å; H438-E500 IonicContact CD2-OE1 3.99Å; H438-T506 WeakPolarHBondContact CE1-CG2 3.5Å; H438-T506 WeakPolarHBondContact ND1-CG2 3.3Å; H438-T506 WeakPolarHBondContact NE2-CG2 3.24Å; H438-H510 AromaticContact ND1-NE2 3.96Å
439R53.1Low53.8Low190 Ų19085.2 Ų85.272%0.71743%0.431SS*.  trans-71.6-20.5-173.8-87.8-176.1-170.6178.43.4117.8A435 S443A435-R439 PolarHBondContact O-NE 2.96Å; R439-S443 VanDerWaalsContact O-CB 3.26Å; R439-S443 WeakPolarHBondContact O-CB 3.01Å
440Q59.6Low56.3Low162 Ų16284.4 Ų84.476%0.75743%0.431SS*.Hα-helixtrans-82.1-41.5-157.9-63.9-173.59.700114H438 A444H438-Q440 PolarHBondContact O-N 3.49Å; Q440-A444 WeakPolarHBondContact O-CB 3.42Å; Q440-A444 PolarHBondContact O-N 2.83Å
441V60.1Low58.7Low17 Ų1781.3 Ų81.310%0.10341%0.413CS..Hα-helixtrans-77.5-49.9-171.7171.70000113.1S443 A444 I445 M496 H510V441-S443 VanDerWaalsContact C-N 3.27Å; V441-S443 PolarHBondContact O-N 3.33Å; V441-A444 PolarHBondContact O-N 3.41Å; V441-I445 HydrophobicContact CG1-CD1 3.73Å; V441-I445 WeakPolarHBondContact O-CG1 3.38Å; V441-I445 PolarHBondContact O-N 2.99Å; V441-I445 VanDerWaalsContact O-N 3.12Å; V441-M496 HydrophobicContact CG1-SD 4.33Å; V441-H510 WeakPolarHBondContact CG2-ND1 3.39Å
442P63.4Low61.3Low60 Ų6076.5 Ų76.539%0.3939%0.392SS..Hα-helixtrans-61.8-36.3178-22.934.2000112.5I445 L446P442-I445 PolarHBondContact O-N 3.47Å; P442-L446 WeakPolarHBondContact O-CB 3.49Å; P442-L446 PolarHBondContact O-N 2.83Å
443S67.7Low63.8Low54 Ų5475.9 Ų75.938%0.37839%0.388SS..Hα-helixtrans-64.2-43.8176.9-173.90000112.5R439 V441 L446 K447R439-S443 VanDerWaalsContact O-CB 3.26Å; R439-S443 WeakPolarHBondContact O-CB 3.01Å; V441-S443 VanDerWaalsContact C-N 3.27Å; V441-S443 PolarHBondContact O-N 3.33Å; S443-L446 PolarHBondContact O-N 2.66Å; S443-K447 VanDerWaalsContact O-CG 3.32Å; S443-K447 WeakPolarHBondContact O-CG 3.5Å; S443-K447 PolarHBondContact O-N 3.38Å
444A72.7Confident66.5Low37 Ų3776.8 Ų76.831%0.30639%0.39SS..Hα-helixtrans-64.2-40.9178.300000112.1Q440 V441 K447 G448 L517Q440-A444 WeakPolarHBondContact O-CB 3.42Å; Q440-A444 PolarHBondContact O-N 2.83Å; V441-A444 PolarHBondContact O-N 3.41Å; A444-K447 PolarHBondContact O-N 3.35Å; A444-G448 PolarHBondContact O-N 3.34Å; A444-G448 VanDerWaalsContact O-N 3.11Å; A444-L517 HydrophobicContact CB-CD2 4.32Å
445I73.3Confident69Low4 Ų474.7 Ų74.72%0.02138%0.382CS..Hα-helixtrans-66.5-42.4178.7-67.3166.8000110.9V441 P442 G448 V449 I489 I493 M496 L516V441-I445 HydrophobicContact CG1-CD1 3.73Å; V441-I445 WeakPolarHBondContact O-CG1 3.38Å; V441-I445 PolarHBondContact O-N 2.99Å; V441-I445 VanDerWaalsContact O-N 3.12Å; P442-I445 PolarHBondContact O-N 3.47Å; I445-G448 WeakPolarHBondContact O-CA 3.41Å; I445-G448 PolarHBondContact O-N 3.04Å; I445-G448 VanDerWaalsContact O-N 3.11Å; I445-V449 PolarHBondContact O-N 3.32Å; I445-I489 HydrophobicContact CG2-CB 4.44Å; I445-I489 HydrophobicContact CG2-CG1 4.41Å; I445-I489 HydrophobicContact CG2-CG2 3.34Å; I445-I493 HydrophobicContact CG2-CD1 4.17Å; I445-I493 HydrophobicContact CG2-CG1 4.23Å; I445-M496 HydrophobicContact CD1-CE 3.63Å; I445-M496 HydrophobicContact CD1-SD 4.28Å; I445-L516 HydrophobicContact CD1-CD2 3.94Å; I445-L516 HydrophobicContact CG1-CD2 4.46Å; I445-L516 HydrophobicContact CG2-CD2 4.26Å
446L72.4Confident71.2Confident102 Ų10273.4 Ų73.453%0.53437%0.369SS..Hα-helixtrans-65.5-39177.1-153.677.6000111.9P442 S443 G448 V449 C450 I493P442-L446 WeakPolarHBondContact O-CB 3.49Å; P442-L446 PolarHBondContact O-N 2.83Å; S443-L446 PolarHBondContact O-N 2.66Å; L446-G448 PolarHBondContact O-N 3.49Å; L446-V449 PolarHBondContact O-N 3.48Å; L446-C450 PolarHBondContact O-N 2.85Å; L446-C450 VanDerWaalsContact O-N 3.09Å; L446-C450 PolarHBondContact O-SG 3.41Å; L446-I493 HydrophobicContact CD1-CD1 4.31Å
447K76.5Confident73.4Confident143 Ų14372.1 Ų72.162%0.62236%0.362SS*.Hα-helixtrans-58.3-37.1171.4-75.3173.9-177.3179.90111.9S443 A444 C450 M451S443-K447 VanDerWaalsContact O-CG 3.32Å; S443-K447 WeakPolarHBondContact O-CG 3.5Å; S443-K447 PolarHBondContact O-N 3.38Å; A444-K447 PolarHBondContact O-N 3.35Å; K447-C450 PolarHBondContact O-N 3.49Å; K447-M451 WeakPolarHBondContact O-CB 3.36Å; K447-M451 PolarHBondContact O-N 2.82Å
448G74.6Confident75.8Confident12 Ų1269.6 Ų69.612%0.12435%0.351CS..Hα-helixtrans-60.7-44.8174.600000113.3A444 I445 L446 M451 F452A444-G448 PolarHBondContact O-N 3.34Å; A444-G448 VanDerWaalsContact O-N 3.11Å; I445-G448 WeakPolarHBondContact O-CA 3.41Å; I445-G448 PolarHBondContact O-N 3.04Å; I445-G448 VanDerWaalsContact O-N 3.11Å; L446-G448 PolarHBondContact O-N 3.49Å; G448-M451 WeakPolarHBondContact O-CB 3.43Å; G448-M451 PolarHBondContact O-N 3.31Å; G448-F452 WeakPolarHBondContact O-CD2 3.43Å; G448-F452 WeakPolarHBondContact O-CG 3.45Å; G448-F452 PolarHBondContact O-N 2.96Å; G448-F452 VanDerWaalsContact O-N 3.15Å
449V76.8Confident77.6Confident28 Ų2867.3 Ų67.317%0.1734%0.34CS..Hα-helixtrans-62.1-45.3175.5-179.70000111I445 L446 M451 F452 S453 V486 I489I445-V449 PolarHBondContact O-N 3.32Å; L446-V449 PolarHBondContact O-N 3.48Å; V449-M451 VanDerWaalsContact C-N 3.32Å; V449-M451 PolarHBondContact O-N 2.68Å; V449-F452 PolarHBondContact O-N 3.39Å; V449-S453 PolarHBondContact O-N 2.93Å; V449-S453 PolarHBondContact O-OG 3.39Å; V449-V486 HydrophobicContact CG1-CG2 4.49Å; V449-I489 HydrophobicContact CG2-CB 3.98Å; V449-I489 HydrophobicContact CG2-CD1 3.48Å; V449-I489 VanDerWaalsContact CG2-CD1 3.48Å; V449-I489 HydrophobicContact CG2-CG1 4.32Å; V449-I489 HydrophobicContact CG2-CG2 3.58Å
450C81.1Confident79.4Confident59 Ų5961.3 Ų61.340%0.39932%0.318SS..Hα-helixtrans-60.1-43.7177.4-68.80000111.1L446 K447 F452 S453 F454L446-C450 PolarHBondContact O-N 2.85Å; L446-C450 VanDerWaalsContact O-N 3.09Å; L446-C450 PolarHBondContact O-SG 3.41Å; K447-C450 PolarHBondContact O-N 3.49Å; C450-F452 PolarHBondContact O-N 2.77Å; C450-S453 WeakPolarHBondContact O-CB 3.34Å; C450-S453 PolarHBondContact O-N 3.34Å; C450-S453 VanDerWaalsContact O-N 3.11Å; C450-F454 HydrophobicContact CB-CD2 4.37Å; C450-F454 HydrophobicContact CB-CE2 4.24Å; C450-F454 WeakPolarHBondContact O-CD2 3.42Å; C450-F454 PolarHBondContact O-N 2.94Å
451M84.5Confident80.8Confident87 Ų8760.1 Ų60.143%0.42931%0.314SS..Hα-helixtrans-57.1-47.1177.4-173.9-173.174.300111.9K447 G448 V449 S453 F454 D455K447-M451 WeakPolarHBondContact O-CB 3.36Å; K447-M451 PolarHBondContact O-N 2.82Å; G448-M451 WeakPolarHBondContact O-CB 3.43Å; G448-M451 PolarHBondContact O-N 3.31Å; V449-M451 VanDerWaalsContact C-N 3.32Å; V449-M451 PolarHBondContact O-N 2.68Å; M451-S453 VanDerWaalsContact C-N 3.3Å; M451-S453 PolarHBondContact O-N 2.76Å; M451-F454 PolarHBondContact O-N 3.45Å; M451-D455 PolarHBondContact O-N 3.35Å; M451-D455 VanDerWaalsContact O-N 3.11Å
452F87.2Confident82.2Confident8 Ų865.1 Ų65.14%0.03534%0.336CS..Hα-helixtrans-66.2-33.8177-56.4-38.5000112.5G448 V449 C450 D455 V456 I481 H482 A485 Y524G448-F452 WeakPolarHBondContact O-CD2 3.43Å; G448-F452 WeakPolarHBondContact O-CG 3.45Å; G448-F452 PolarHBondContact O-N 2.96Å; G448-F452 VanDerWaalsContact O-N 3.15Å; V449-F452 PolarHBondContact O-N 3.39Å; C450-F452 PolarHBondContact O-N 2.77Å; F452-D455 PolarHBondContact O-N 2.97Å; F452-V456 PolarHBondContact O-N 3.34Å; F452-I481 HydrophobicContact CD1-CG2 3.82Å; F452-I481 HydrophobicContact CE1-CG2 4.09Å; F452-I481 HydrophobicContact CG-CG2 4.1Å; F452-H482 HydrophobicContact CB-CB 4.13Å; F452-A485 HydrophobicContact CD2-CB 3.35Å; F452-A485 HydrophobicContact CE2-CB 3.7Å; F452-A485 HydrophobicContact CG-CB 4.45Å; F452-Y524 AromaticContact CD1-CD2 3.93Å; F452-Y524 HydrophobicContact CD1-CD2 3.93Å; F452-Y524 HydrophobicContact CD1-CE2 4.36Å; F452-Y524 AromaticContact CE1-CD2 3.49Å; F452-Y524 HydrophobicContact CE1-CD2 3.49Å; F452-Y524 VanDerWaalsContact CE1-CD2 3.49Å; F452-Y524 HydrophobicContact CE1-CE2 4.23Å; F452-Y524 AromaticContact CE1-CG 3.83Å; F452-Y524 HydrophobicContact CE1-CG 3.83Å
453S87.3Confident83.5Confident39 Ų3964.6 Ų64.627%0.27333%0.327SS..Hα-helixtrans-66.4-44.6175.7-50.20000111.4V449 C450 M451 D455 V456 V457 H482V449-S453 PolarHBondContact O-N 2.93Å; V449-S453 PolarHBondContact O-OG 3.39Å; C450-S453 WeakPolarHBondContact O-CB 3.34Å; C450-S453 PolarHBondContact O-N 3.34Å; C450-S453 VanDerWaalsContact O-N 3.11Å; M451-S453 VanDerWaalsContact C-N 3.3Å; M451-S453 PolarHBondContact O-N 2.76Å; S453-D455 VanDerWaalsContact C-N 3.29Å; S453-D455 PolarHBondContact O-N 3.35Å; S453-V456 PolarHBondContact O-N 3.17Å; S453-V457 WeakPolarHBondContact O-CG2 3.08Å; S453-V457 PolarHBondContact O-N 3.04Å; S453-H482 PolarHBondContact OG-CE1 3.47Å; S453-H482 PolarHBondContact OG-ND1 3.4Å
454F90.1Very high84.3Confident149 Ų14973 Ų7365%0.65435%0.35SS*.Hα-helixtrans-61.4-37.9177.2-81.5-64.1000112.1C450 M451 V457 R458C450-F454 HydrophobicContact CB-CD2 4.37Å; C450-F454 HydrophobicContact CB-CE2 4.24Å; C450-F454 WeakPolarHBondContact O-CD2 3.42Å; C450-F454 PolarHBondContact O-N 2.94Å; M451-F454 PolarHBondContact O-N 3.45Å; F454-V457 PolarHBondContact O-N 3Å; F454-R458 VanDerWaalsContact O-CB 3.24Å; F454-R458 WeakPolarHBondContact O-CB 3.01Å; F454-R458 PolarHBondContact O-N 3.35Å
455D87.7Confident84.9Confident19 Ų1972 Ų7210%0.10234%0.34CS..Hα-helixtrans-62.8-45177.7-167.229.5000112M451 F452 S453 V457 R458 L459M451-D455 PolarHBondContact O-N 3.35Å; M451-D455 VanDerWaalsContact O-N 3.11Å; F452-D455 PolarHBondContact O-N 2.97Å; S453-D455 VanDerWaalsContact C-N 3.29Å; S453-D455 PolarHBondContact O-N 3.35Å; D455-V457 PolarHBondContact O-N 3.15Å; D455-R458 PolarHBondContact O-N 3.01Å; D455-R458 IonicContact OD1-CZ 2.72Å; D455-R458 IonicContact OD1-NE 3.35Å; D455-R458 PolarHBondContact OD1-NE 3.09Å; D455-R458 IonicContact OD1-NH2 3.84Å; D455-R458 PolarHBondContact OD1-NH2 3.4Å; D455-L459 WeakPolarHBondContact O-CG 3.43Å; D455-L459 PolarHBondContact O-N 2.88Å
456V89.7Confident85.1Confident13 Ų1375.5 Ų75.58%0.07937%0.369CS..Hα-helixtrans-61.5-46.1174.5175.50000111.2F452 S453 L459 R460 L475 A478 I479 H482F452-V456 PolarHBondContact O-N 3.34Å; S453-V456 PolarHBondContact O-N 3.17Å; V456-L459 PolarHBondContact O-N 3.48Å; V456-R460 HydrophobicContact CG1-CG 4.39Å; V456-R460 WeakPolarHBondContact O-CB 3.4Å; V456-R460 VanDerWaalsContact O-CG 3.31Å; V456-R460 WeakPolarHBondContact O-CG 3.32Å; V456-R460 PolarHBondContact O-N 2.64Å; V456-L475 HydrophobicContact CG1-CD1 4.36Å; V456-A478 HydrophobicContact CG2-CB 3.98Å; V456-A478 WeakPolarHBondContact CG2-O 3.34Å; V456-I479 HydrophobicContact CG1-CG1 4.11Å; V456-I479 HydrophobicContact CG2-CG1 4.44Å; V456-H482 HydrophobicContact CG2-CB 3.8Å
457V89.3Confident85.4Confident75 Ų7580.8 Ų80.846%0.45538%0.384SS..Hα-helixtrans-62.7-44.4179.6172.90000110.9S453 F454 D455 L459 R460 M461S453-V457 WeakPolarHBondContact O-CG2 3.08Å; S453-V457 PolarHBondContact O-N 3.04Å; F454-V457 PolarHBondContact O-N 3Å; D455-V457 PolarHBondContact O-N 3.15Å; V457-L459 PolarHBondContact O-N 3.2Å; V457-R460 PolarHBondContact O-N 2.74Å; V457-M461 HydrophobicContact CG1-CE 4.09Å; V457-M461 HydrophobicContact CG1-SD 4.43Å; V457-M461 WeakPolarHBondContact O-CG 3.49Å; V457-M461 PolarHBondContact O-N 3.2Å
458R92.6Very high85.5Confident144 Ų14476.2 Ų76.254%0.54338%0.378SS..Hα-helixtrans-57.5-50.1176.4179.3-179.264.1163.22.2111.5F454 D455 R460 M461 Q462F454-R458 VanDerWaalsContact O-CB 3.24Å; F454-R458 WeakPolarHBondContact O-CB 3.01Å; F454-R458 PolarHBondContact O-N 3.35Å; D455-R458 PolarHBondContact O-N 3.01Å; D455-R458 IonicContact OD1-CZ 2.72Å; D455-R458 IonicContact OD1-NE 3.35Å; D455-R458 PolarHBondContact OD1-NE 3.09Å; D455-R458 IonicContact OD1-NH2 3.84Å; D455-R458 PolarHBondContact OD1-NH2 3.4Å; R458-R460 PolarHBondContact O-N 2.97Å; R458-M461 PolarHBondContact O-N 3.32Å; R458-Q462 WeakPolarHBondContact O-CB 3.44Å; R458-Q462 PolarHBondContact O-N 3.15Å
459L89.3Confident86Confident12 Ų1278.1 Ų78.16%0.06339%0.385CS..Hα-helixtrans-67.2-35.2179.6-68.4171000112.3D455 V456 V457 Q462 Y463 L475 A478D455-L459 WeakPolarHBondContact O-CG 3.43Å; D455-L459 PolarHBondContact O-N 2.88Å; V456-L459 PolarHBondContact O-N 3.48Å; V457-L459 PolarHBondContact O-N 3.2Å; L459-Q462 PolarHBondContact O-N 2.89Å; L459-Y463 HydrophobicContact CB-CD2 4.31Å; L459-Y463 HydrophobicContact CB-CE2 4.33Å; L459-Y463 HydrophobicContact CD2-CE2 3.87Å; L459-Y463 WeakPolarHBondContact O-CB 3.32Å; L459-Y463 WeakPolarHBondContact O-CD2 3.21Å; L459-Y463 PolarHBondContact O-N 3.17Å; L459-L475 HydrophobicContact CB-CD1 3.85Å; L459-A478 HydrophobicContact CD1-CB 3.51Å
460R91.9Very high86.1Confident64 Ų6479.1 Ų79.124%0.24240%0.401CS..Hα-helixtrans-63.2-41.9173.3-77.3-173.4-178.7-66.1-8.5112.4V456 V457 R458 R464 V465 G468 L475V456-R460 HydrophobicContact CG1-CG 4.39Å; V456-R460 WeakPolarHBondContact O-CB 3.4Å; V456-R460 VanDerWaalsContact O-CG 3.31Å; V456-R460 WeakPolarHBondContact O-CG 3.32Å; V456-R460 PolarHBondContact O-N 2.64Å; V457-R460 PolarHBondContact O-N 2.74Å; R458-R460 PolarHBondContact O-N 2.97Å; R460-R464 WeakPolarHBondContact O-CA 3.08Å; R460-R464 PolarHBondContact O-N 3.11Å; R460-V465 PolarHBondContact NH1-O 3.49Å; R460-V465 PolarHBondContact O-N 3.47Å; R460-V465 VanDerWaalsContact O-N 3.16Å; R460-G468 PolarHBondContact NH1-O 3.45Å; R460-G468 PolarHBondContact NH2-O 3.42Å; R460-L475 HydrophobicContact CG-CD1 3.93Å; R460-L475 HydrophobicContact CG-CD2 4.17Å
461M88.7Confident86.2Confident136 Ų13679.7 Ų79.767%0.6742%0.416SS*.Hα-helixtrans-66.4-43.8175.4-69.9-170.8-5900111.2V457 R458 R464V457-M461 HydrophobicContact CG1-CE 4.09Å; V457-M461 HydrophobicContact CG1-SD 4.43Å; V457-M461 WeakPolarHBondContact O-CG 3.49Å; V457-M461 PolarHBondContact O-N 3.2Å; R458-M461 PolarHBondContact O-N 3.32Å; M461-R464 PolarHBondContact O-N 3.11Å
462Q89.8Confident86.3Confident122 Ų12279.5 Ų79.557%0.5741%0.413SS*.Hα-helixtrans-61.9-45.7179.5-176.5176.8-1100112.3R458 L459R458-Q462 WeakPolarHBondContact O-CB 3.44Å; R458-Q462 PolarHBondContact O-N 3.15Å; L459-Q462 PolarHBondContact O-N 2.89Å
463Y89.6Confident86.2Confident50 Ų5081.8 Ų81.820%0.19643%0.43CS..Hα-helixtrans-92-1-177.9-61.3-54000114.7L459 V465 F472 E474 L475L459-Y463 HydrophobicContact CB-CD2 4.31Å; L459-Y463 HydrophobicContact CB-CE2 4.33Å; L459-Y463 HydrophobicContact CD2-CE2 3.87Å; L459-Y463 WeakPolarHBondContact O-CB 3.32Å; L459-Y463 WeakPolarHBondContact O-CD2 3.21Å; L459-Y463 PolarHBondContact O-N 3.17Å; Y463-V465 VanDerWaalsContact C-N 3.26Å; Y463-V465 PolarHBondContact O-N 3.45Å; Y463-F472 AromaticContact CD1-CD1 3.79Å; Y463-F472 HydrophobicContact CD1-CD1 3.79Å; Y463-F472 HydrophobicContact CD1-CD2 4.26Å; Y463-F472 AromaticContact CD1-CE1 3.79Å; Y463-F472 HydrophobicContact CD1-CE1 3.79Å; Y463-F472 HydrophobicContact CD1-CE2 4.25Å; Y463-F472 HydrophobicContact CD1-CG 4.03Å; Y463-F472 HydrophobicContact CD1-CZ 4.02Å; Y463-F472 HydrophobicContact CD2-CB 4.1Å; Y463-F472 HydrophobicContact CD2-CD2 4.28Å; Y463-F472 HydrophobicContact CD2-CG 4.06Å; Y463-F472 AromaticContact CE1-CD1 3.85Å; Y463-F472 HydrophobicContact CE1-CD1 3.85Å; Y463-F472 HydrophobicContact CE1-CE1 4.1Å; Y463-F472 HydrophobicContact CE1-CG 4.32Å; Y463-F472 HydrophobicContact CE2-CB 4.11Å; Y463-F472 HydrophobicContact CE2-CG 4.32Å; Y463-F472 HydrophobicContact CG-CB 4.44Å; Y463-F472 HydrophobicContact CG-CD1 4.15Å; Y463-F472 AromaticContact CG-CD2 3.88Å; Y463-F472 HydrophobicContact CG-CD2 3.88Å; Y463-F472 HydrophobicContact CG-CE1 4.38Å; Y463-F472 HydrophobicContact CG-CE2 4.12Å; Y463-F472 AromaticContact CG-CG 3.89Å; Y463-F472 HydrophobicContact CG-CG 3.89Å; Y463-F472 HydrophobicContact CG-CZ 4.36Å; Y463-E474 HydrophobicContact CE2-CB 4.35Å; Y463-E474 PolarHBondContact OH-OE2 3.3Å; Y463-L475 HydrophobicContact CD2-CB 4.26Å; Y463-L475 HydrophobicContact CE2-CB 4.47Å
464R85.8Confident86.2Confident230 Ų23085.1 Ų85.187%0.86844%0.442SS*.THydrogen-bonded Turntrans53.240.7-176.5-57.5-176.1178.3-170.8-0.5113.3R460 M461R460-R464 WeakPolarHBondContact O-CA 3.08Å; R460-R464 PolarHBondContact O-N 3.11Å; M461-R464 PolarHBondContact O-N 3.11Å
465V84Confident86.1Confident16 Ų1678 Ų7810%0.09741%0.411CS..  trans-100.8106.8-179.4179.60000110.3R460 Y463 Y467 F472 L475R460-V465 PolarHBondContact NH1-O 3.49Å; R460-V465 PolarHBondContact O-N 3.47Å; R460-V465 VanDerWaalsContact O-N 3.16Å; Y463-V465 VanDerWaalsContact C-N 3.26Å; Y463-V465 PolarHBondContact O-N 3.45Å; V465-Y467 WeakPolarHBondContact CG1-O 3.23Å; V465-F472 HydrophobicContact CG2-CD2 3.95Å; V465-F472 HydrophobicContact CG2-CE2 4Å; V465-L475 HydrophobicContact CB-CD2 3.82Å; V465-L475 HydrophobicContact CG1-CD2 3.95Å; V465-L475 HydrophobicContact CG2-CD2 4.12Å
466A79Confident86.2Confident77 Ų7782.4 Ų82.464%0.63643%0.431SS*.SBendtrans-72.6-40.8177.600000113
467Y77.6Confident86.2Confident213 Ų21383.2 Ų83.284%0.83544%0.437SS*.SBendtrans-133.8147.4-176-54.9-76.5000111.6V465V465-Y467 WeakPolarHBondContact CG1-O 3.23Å
468G79.6Confident86.2Confident48 Ų4879.9 Ų79.950%0.49542%0.417SS..SBendtrans65.4-150.5-177.800000112.5R460R460-G468 PolarHBondContact NH1-O 3.45Å; R460-G468 PolarHBondContact NH2-O 3.42Å
469D84.3Confident86.1Confident52 Ų5275.7 Ų75.728%0.27841%0.405SS..  trans-107.9-5.817958.427.4000113.8G471 F472 L475 Q476 I479D469-G471 PolarHBondContact O-N 3.43Å; D469-G471 VanDerWaalsContact O-N 3.12Å; D469-G471 PolarHBondContact OD1-N 3.07Å; D469-F472 PolarHBondContact O-N 2.62Å; D469-F472 VanDerWaalsContact O-N 3.07Å; D469-L475 HydrophobicContact CB-CG 4.39Å; D469-Q476 HydrophobicContact CB-CB 4.01Å; D469-I479 HydrophobicContact CB-CD1 4.19Å
470G79.4Confident86.1Confident49 Ų4981.9 Ų81.951%0.50543%0.427SS..THydrogen-bonded Turntrans61.914.8-179.300000114.8F472G470-F472 VanDerWaalsContact C-N 3.32Å
471G83.9Confident86Confident70 Ų7079.1 Ų79.172%0.72242%0.417SS*.THydrogen-bonded Turntrans80.35.1-173.200000114.8D469D469-G471 PolarHBondContact O-N 3.43Å; D469-G471 VanDerWaalsContact O-N 3.12Å; D469-G471 PolarHBondContact OD1-N 3.07Å
472F86.2Confident86Confident83 Ų8374.9 Ų74.936%0.36440%0.396SS..  trans-88.1115.3178.4-63.6-79.8000111Y463 V465 D469 G470 E474 L475 Q476Y463-F472 AromaticContact CD1-CD1 3.79Å; Y463-F472 HydrophobicContact CD1-CD1 3.79Å; Y463-F472 HydrophobicContact CD1-CD2 4.26Å; Y463-F472 AromaticContact CD1-CE1 3.79Å; Y463-F472 HydrophobicContact CD1-CE1 3.79Å; Y463-F472 HydrophobicContact CD1-CE2 4.25Å; Y463-F472 HydrophobicContact CD1-CG 4.03Å; Y463-F472 HydrophobicContact CD1-CZ 4.02Å; Y463-F472 HydrophobicContact CD2-CB 4.1Å; Y463-F472 HydrophobicContact CD2-CD2 4.28Å; Y463-F472 HydrophobicContact CD2-CG 4.06Å; Y463-F472 AromaticContact CE1-CD1 3.85Å; Y463-F472 HydrophobicContact CE1-CD1 3.85Å; Y463-F472 HydrophobicContact CE1-CE1 4.1Å; Y463-F472 HydrophobicContact CE1-CG 4.32Å; Y463-F472 HydrophobicContact CE2-CB 4.11Å; Y463-F472 HydrophobicContact CE2-CG 4.32Å; Y463-F472 HydrophobicContact CG-CB 4.44Å; Y463-F472 HydrophobicContact CG-CD1 4.15Å; Y463-F472 AromaticContact CG-CD2 3.88Å; Y463-F472 HydrophobicContact CG-CD2 3.88Å; Y463-F472 HydrophobicContact CG-CE1 4.38Å; Y463-F472 HydrophobicContact CG-CE2 4.12Å; Y463-F472 AromaticContact CG-CG 3.89Å; Y463-F472 HydrophobicContact CG-CG 3.89Å; Y463-F472 HydrophobicContact CG-CZ 4.36Å; V465-F472 HydrophobicContact CG2-CD2 3.95Å; V465-F472 HydrophobicContact CG2-CE2 4Å; D469-F472 PolarHBondContact O-N 2.62Å; D469-F472 VanDerWaalsContact O-N 3.07Å; G470-F472 VanDerWaalsContact C-N 3.32Å; F472-E474 PolarHBondContact O-N 3.35Å; F472-L475 HydrophobicContact CB-CB 4.2Å; F472-L475 PolarHBondContact O-N 3.09Å; F472-L475 VanDerWaalsContact O-N 3.15Å; F472-Q476 PolarHBondContact O-N 2.99Å
473S84.8Confident86.1Confident56 Ų5670.3 Ų70.339%0.39238%0.381SS..Hα-helixtrans-60-30.1-177.569.90000114.1S477S473-S477 WeakPolarHBondContact O-CB 3.25Å; S473-S477 PolarHBondContact O-N 3.26Å; S473-S477 PolarHBondContact O-OG 3.17Å
474E87Confident86.1Confident110 Ų11068.4 Ų68.451%0.51437%0.374SS..Hα-helixtrans-67.9-46.1175.9-68.1177.8-15100111.6Y463 F472 S477 A478Y463-E474 HydrophobicContact CE2-CB 4.35Å; Y463-E474 PolarHBondContact OH-OE2 3.3Å; F472-E474 PolarHBondContact O-N 3.35Å; E474-S477 WeakPolarHBondContact O-CB 3.39Å; E474-S477 PolarHBondContact O-N 3.01Å; E474-A478 PolarHBondContact O-N 3.42Å
475L89.1Confident86.2Confident0 Ų057.5 Ų57.50%033%0.333CS..Hα-helixtrans-66.7-40.2177.5-179.756000111.2V456 L459 R460 Y463 V465 D469 F472 S477 A478 I479V456-L475 HydrophobicContact CG1-CD1 4.36Å; L459-L475 HydrophobicContact CB-CD1 3.85Å; R460-L475 HydrophobicContact CG-CD1 3.93Å; R460-L475 HydrophobicContact CG-CD2 4.17Å; Y463-L475 HydrophobicContact CD2-CB 4.26Å; Y463-L475 HydrophobicContact CE2-CB 4.47Å; V465-L475 HydrophobicContact CB-CD2 3.82Å; V465-L475 HydrophobicContact CG1-CD2 3.95Å; V465-L475 HydrophobicContact CG2-CD2 4.12Å; D469-L475 HydrophobicContact CB-CG 4.39Å; F472-L475 HydrophobicContact CB-CB 4.2Å; F472-L475 PolarHBondContact O-N 3.09Å; F472-L475 VanDerWaalsContact O-N 3.15Å; L475-S477 PolarHBondContact O-N 3.21Å; L475-A478 PolarHBondContact O-N 2.95Å; L475-I479 HydrophobicContact CD1-CD1 3.96Å; L475-I479 HydrophobicContact CD1-CG1 4.05Å; L475-I479 HydrophobicContact CG-CD1 3.82Å; L475-I479 HydrophobicContact CG-CG1 4.4Å; L475-I479 WeakPolarHBondContact O-CB 3.37Å; L475-I479 WeakPolarHBondContact O-CD1 3.32Å; L475-I479 WeakPolarHBondContact O-CG1 3.22Å; L475-I479 PolarHBondContact O-N 3.06Å
476Q89.6Confident86.4Confident111 Ų11160.1 Ų60.152%0.51935%0.349SS..Hα-helixtrans-56.4-41.8172.5-169.5-175.713.900111.4D469 F472 R480D469-Q476 HydrophobicContact CB-CB 4.01Å; F472-Q476 PolarHBondContact O-N 2.99Å; Q476-R480 PolarHBondContact O-N 3.47Å; Q476-R480 VanDerWaalsContact O-N 3.17Å
477S88.4Confident86.9Confident30 Ų3060.8 Ų60.821%0.2134%0.339CS..Hα-helixtrans-65.5-49.6178.7-60.40000112.2S473 E474 L475 I479 R480 I481 F527S473-S477 WeakPolarHBondContact O-CB 3.25Å; S473-S477 PolarHBondContact O-N 3.26Å; S473-S477 PolarHBondContact O-OG 3.17Å; E474-S477 WeakPolarHBondContact O-CB 3.39Å; E474-S477 PolarHBondContact O-N 3.01Å; L475-S477 PolarHBondContact O-N 3.21Å; S477-I479 PolarHBondContact O-N 3.32Å; S477-R480 PolarHBondContact O-N 3.19Å; S477-I481 VanDerWaalsContact O-CG1 3.32Å; S477-I481 WeakPolarHBondContact O-CG1 3.3Å; S477-I481 PolarHBondContact O-N 3.41Å; S477-F527 WeakPolarHBondContact OG-CE1 3.39Å
478A89.7Confident87.6Confident4 Ų452.8 Ų52.83%0.03331%0.308CS..Hα-helixtrans-61.8-41.7178.800000112.4V456 L459 E474 L475 R480 I481 H482V456-A478 HydrophobicContact CG2-CB 3.98Å; V456-A478 WeakPolarHBondContact CG2-O 3.34Å; L459-A478 HydrophobicContact CD1-CB 3.51Å; E474-A478 PolarHBondContact O-N 3.42Å; L475-A478 PolarHBondContact O-N 2.95Å; A478-R480 VanDerWaalsContact C-N 3.3Å; A478-R480 PolarHBondContact O-N 3.01Å; A478-I481 PolarHBondContact O-N 3.39Å; A478-H482 WeakPolarHBondContact O-CB 3.44Å; A478-H482 PolarHBondContact O-N 3.01Å
479I89.7Confident88Confident57 Ų5750.8 Ų50.829%0.29229%0.286SS..Hα-helixtrans-59.1-43.2175.8-70.2165.2000110.5V456 D469 L475 S477 H482 G483V456-I479 HydrophobicContact CG1-CG1 4.11Å; V456-I479 HydrophobicContact CG2-CG1 4.44Å; D469-I479 HydrophobicContact CB-CD1 4.19Å; L475-I479 HydrophobicContact CD1-CD1 3.96Å; L475-I479 HydrophobicContact CD1-CG1 4.05Å; L475-I479 HydrophobicContact CG-CD1 3.82Å; L475-I479 HydrophobicContact CG-CG1 4.4Å; L475-I479 WeakPolarHBondContact O-CB 3.37Å; L475-I479 WeakPolarHBondContact O-CD1 3.32Å; L475-I479 WeakPolarHBondContact O-CG1 3.22Å; L475-I479 PolarHBondContact O-N 3.06Å; S477-I479 PolarHBondContact O-N 3.32Å; I479-H482 PolarHBondContact O-N 3.38Å; I479-G483 PolarHBondContact O-N 2.67Å
480R90.4Very high88.1Confident141 Ų14151.3 Ų51.353%0.53229%0.292SS..Hα-helixtrans-69.6-39.6-179.1-170.860.5179.1162.64112.5Q476 S477 A478 N484 F527Q476-R480 PolarHBondContact O-N 3.47Å; Q476-R480 VanDerWaalsContact O-N 3.17Å; S477-R480 PolarHBondContact O-N 3.19Å; A478-R480 VanDerWaalsContact C-N 3.3Å; A478-R480 PolarHBondContact O-N 3.01Å; R480-N484 VanDerWaalsContact O-CB 3.3Å; R480-N484 WeakPolarHBondContact O-CB 3.26Å; R480-N484 PolarHBondContact O-N 3.36Å; R480-F527 HydrophobicContact CB-CE2 3.98Å; R480-F527 HydrophobicContact CB-CZ 3.76Å; R480-F527 HydrophobicContact CG-CE2 3.64Å; R480-F527 HydrophobicContact CG-CZ 3.85Å
481I89Confident88.6Confident6 Ų653.5 Ų53.53%0.03129%0.291CS..Hα-helixtrans-59.6-51173.7-69.4167.9000110.1F452 S477 A478 N484 A485 Y524 F527F452-I481 HydrophobicContact CD1-CG2 3.82Å; F452-I481 HydrophobicContact CE1-CG2 4.09Å; F452-I481 HydrophobicContact CG-CG2 4.1Å; S477-I481 VanDerWaalsContact O-CG1 3.32Å; S477-I481 WeakPolarHBondContact O-CG1 3.3Å; S477-I481 PolarHBondContact O-N 3.41Å; A478-I481 PolarHBondContact O-N 3.39Å; I481-N484 PolarHBondContact O-N 2.86Å; I481-A485 PolarHBondContact O-N 2.69Å; I481-Y524 HydrophobicContact CD1-CD2 3.95Å; I481-Y524 HydrophobicContact CD1-CE2 4.27Å; I481-Y524 HydrophobicContact CG2-CD2 3.74Å; I481-F527 HydrophobicContact CD1-CB 3.78Å; I481-F527 HydrophobicContact CD1-CD1 3.91Å; I481-F527 HydrophobicContact CD1-CG 3.94Å; I481-F527 HydrophobicContact CG1-CB 3.7Å; I481-F527 HydrophobicContact CG1-CD1 3.88Å; I481-F527 HydrophobicContact CG1-CD2 4.11Å; I481-F527 HydrophobicContact CG1-CG 3.59Å
482H90Very high89Confident48 Ų4850.2 Ų50.222%0.22226%0.257CS..Hα-helixtrans-63.2-46.1-179.5176.263000111.8F452 S453 V456 A478 I479 N484 A485 V486F452-H482 HydrophobicContact CB-CB 4.13Å; S453-H482 PolarHBondContact OG-CE1 3.47Å; S453-H482 PolarHBondContact OG-ND1 3.4Å; V456-H482 HydrophobicContact CG2-CB 3.8Å; A478-H482 WeakPolarHBondContact O-CB 3.44Å; A478-H482 PolarHBondContact O-N 3.01Å; I479-H482 PolarHBondContact O-N 3.38Å; H482-N484 VanDerWaalsContact C-N 3.33Å; H482-N484 PolarHBondContact O-N 3.21Å; H482-A485 WeakPolarHBondContact O-CB 3.46Å; H482-A485 PolarHBondContact O-N 2.94Å; H482-A485 VanDerWaalsContact O-N 3.09Å; H482-V486 VanDerWaalsContact CE1-CG2 3.5Å; H482-V486 WeakPolarHBondContact CE1-CG2 2.82Å; H482-V486 WeakPolarHBondContact O-CG2 3.5Å; H482-V486 PolarHBondContact O-N 3.07Å
483G90.2Very high89.1Confident25 Ų2548.1 Ų48.126%0.25825%0.249SC..Hα-helixtrans-57.6-46176.700000112.1I479 A485 V486 E487I479-G483 PolarHBondContact O-N 2.67Å; G483-A485 VanDerWaalsContact C-N 3.3Å; G483-A485 PolarHBondContact O-N 3.43Å; G483-V486 PolarHBondContact O-N 3Å; G483-E487 WeakPolarHBondContact O-CG 3.31Å; G483-E487 PolarHBondContact O-N 3.4Å
484N90.2Very high89.2Confident10 Ų1048.8 Ų48.85%0.05325%0.251CS..Hα-helixtrans-62.6-36.3176.3-169.3-105.5000112.4R480 I481 H482 E487 Y488 R520 H523R480-N484 VanDerWaalsContact O-CB 3.3Å; R480-N484 WeakPolarHBondContact O-CB 3.26Å; R480-N484 PolarHBondContact O-N 3.36Å; I481-N484 PolarHBondContact O-N 2.86Å; H482-N484 VanDerWaalsContact C-N 3.33Å; H482-N484 PolarHBondContact O-N 3.21Å; N484-E487 PolarHBondContact O-N 3.11Å; N484-Y488 WeakPolarHBondContact ND2-CE2 3.47Å; N484-Y488 VanDerWaalsContact O-CD2 3.22Å; N484-Y488 WeakPolarHBondContact O-CD2 3.4Å; N484-Y488 PolarHBondContact O-N 3.11Å; N484-R520 PolarHBondContact OD1-NH1 3.04Å; N484-H523 PolarHBondContact OD1-CE1 3.48Å; N484-H523 PolarHBondContact OD1-ND1 2.93Å
485A88.2Confident89.4Confident1 Ų144.8 Ų44.81%0.00823%0.233CC..Hα-helixtrans-66.2-42.2175.200000112.3F452 I481 H482 G483 E487 Y488 I489F452-A485 HydrophobicContact CD2-CB 3.35Å; F452-A485 HydrophobicContact CE2-CB 3.7Å; F452-A485 HydrophobicContact CG-CB 4.45Å; I481-A485 PolarHBondContact O-N 2.69Å; H482-A485 WeakPolarHBondContact O-CB 3.46Å; H482-A485 PolarHBondContact O-N 2.94Å; H482-A485 VanDerWaalsContact O-N 3.09Å; G483-A485 VanDerWaalsContact C-N 3.3Å; G483-A485 PolarHBondContact O-N 3.43Å; A485-E487 VanDerWaalsContact C-N 3.28Å; A485-E487 PolarHBondContact O-N 3.3Å; A485-Y488 PolarHBondContact O-N 3Å; A485-I489 HydrophobicContact CB-CD1 3.97Å; A485-I489 VanDerWaalsContact O-CB 3.25Å; A485-I489 WeakPolarHBondContact O-CB 3.3Å; A485-I489 WeakPolarHBondContact O-CG1 3.42Å; A485-I489 PolarHBondContact O-N 3.46Å
486V88.8Confident89.3Confident72 Ų7245.2 Ų45.244%0.43624%0.235SC..Hα-helixtrans-67.6-26.6178.2173.20000112.3V449 H482 G483 P490V449-V486 HydrophobicContact CG1-CG2 4.49Å; H482-V486 VanDerWaalsContact CE1-CG2 3.5Å; H482-V486 WeakPolarHBondContact CE1-CG2 2.82Å; H482-V486 WeakPolarHBondContact O-CG2 3.5Å; H482-V486 PolarHBondContact O-N 3.07Å; G483-V486 PolarHBondContact O-N 3Å; V486-P490 WeakPolarHBondContact O-CD 3.37Å; V486-P490 VanDerWaalsContact O-CG 3.23Å; V486-P490 WeakPolarHBondContact O-CG 3.34Å
487E89.3Confident89.1Confident90 Ų9042.1 Ų42.142%0.42122%0.221SC..Hα-helixtrans-69.9-45.8174.3-72.7164-175.500112.3G483 N484 A485 I491G483-E487 WeakPolarHBondContact O-CG 3.31Å; G483-E487 PolarHBondContact O-N 3.4Å; N484-E487 PolarHBondContact O-N 3.11Å; A485-E487 VanDerWaalsContact C-N 3.28Å; A485-E487 PolarHBondContact O-N 3.3Å; E487-I491 WeakPolarHBondContact O-CD1 3.46Å
488Y91.2Very high89.1Confident46 Ų4645.3 Ų45.318%0.1823%0.232CC..Hα-helixtrans-98.7-34.9-169.6-67.1-75.2000114.8N484 A485 I491 A492 M539 T542 W543 L546N484-Y488 WeakPolarHBondContact ND2-CE2 3.47Å; N484-Y488 VanDerWaalsContact O-CD2 3.22Å; N484-Y488 WeakPolarHBondContact O-CD2 3.4Å; N484-Y488 PolarHBondContact O-N 3.11Å; A485-Y488 PolarHBondContact O-N 3Å; Y488-I491 PolarHBondContact O-N 3.46Å; Y488-A492 PolarHBondContact O-N 3.12Å; Y488-M539 HydrophobicContact CE2-CE 3.91Å; Y488-T542 HydrophobicContact CD1-CG2 4.26Å; Y488-T542 HydrophobicContact CG-CG2 4.08Å; Y488-W543 AromaticContact CE1-NE1 3.78Å; Y488-W543 AromaticContact CZ-NE1 3.92Å; Y488-L546 HydrophobicContact CD1-CD1 3.61Å; Y488-L546 HydrophobicContact CE1-CD1 4.33Å
489I88.8Confident89Confident5 Ų545.1 Ų45.13%0.02623%0.23CC..Hα-helixtrans-66-45.2-173.7-70172.9000112.6I445 V449 A485 I491 A492 I493 R520I445-I489 HydrophobicContact CG2-CB 4.44Å; I445-I489 HydrophobicContact CG2-CG1 4.41Å; I445-I489 HydrophobicContact CG2-CG2 3.34Å; V449-I489 HydrophobicContact CG2-CB 3.98Å; V449-I489 HydrophobicContact CG2-CD1 3.48Å; V449-I489 VanDerWaalsContact CG2-CD1 3.48Å; V449-I489 HydrophobicContact CG2-CG1 4.32Å; V449-I489 HydrophobicContact CG2-CG2 3.58Å; A485-I489 HydrophobicContact CB-CD1 3.97Å; A485-I489 VanDerWaalsContact O-CB 3.25Å; A485-I489 WeakPolarHBondContact O-CB 3.3Å; A485-I489 WeakPolarHBondContact O-CG1 3.42Å; A485-I489 PolarHBondContact O-N 3.46Å; I489-I491 VanDerWaalsContact C-N 3.31Å; I489-I491 PolarHBondContact O-N 3.41Å; I489-A492 PolarHBondContact O-N 3.41Å; I489-I493 HydrophobicContact CG2-CD1 3.7Å; I489-I493 HydrophobicContact CG2-CG1 4.23Å; I489-I493 WeakPolarHBondContact O-CG1 3.45Å; I489-I493 PolarHBondContact O-N 3.19Å; I489-R520 HydrophobicContact CD1-CG 4.15Å; I489-R520 HydrophobicContact CG1-CG 4.23Å
490P86.8Confident88.8Confident64 Ų6445.4 Ų45.442%0.41623%0.23SC..Hα-helixtrans-59.5-41.8178.4-26.537.3000112.7V486 I493 V494V486-P490 WeakPolarHBondContact O-CD 3.37Å; V486-P490 VanDerWaalsContact O-CG 3.23Å; V486-P490 WeakPolarHBondContact O-CG 3.34Å; P490-I493 PolarHBondContact O-N 2.92Å; P490-V494 WeakPolarHBondContact O-CG2 3.25Å; P490-V494 PolarHBondContact O-N 3.02Å
491I90.2Very high88.5Confident95 Ų9543.9 Ų43.949%0.48723%0.231SC..Hα-helixtrans-62.3-45.4177.3-59.8174.5000110E487 Y488 I489 I493 V494 L495 L546E487-I491 WeakPolarHBondContact O-CD1 3.46Å; Y488-I491 PolarHBondContact O-N 3.46Å; I489-I491 VanDerWaalsContact C-N 3.31Å; I489-I491 PolarHBondContact O-N 3.41Å; I491-I493 VanDerWaalsContact C-N 3.35Å; I491-I493 PolarHBondContact O-N 3.16Å; I491-V494 PolarHBondContact O-N 2.94Å; I491-L495 HydrophobicContact CG2-CD1 4Å; I491-L495 HydrophobicContact CG2-CG 4.43Å; I491-L495 WeakPolarHBondContact O-CG 3.34Å; I491-L495 PolarHBondContact O-N 3.5Å; I491-L546 HydrophobicContact CG2-CD2 4.26Å
492A91.3Very high88.4Confident0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-63-39.3178.100000112.8Y488 I489 L495 M496 L516 L546 M549Y488-A492 PolarHBondContact O-N 3.12Å; I489-A492 PolarHBondContact O-N 3.41Å; A492-L495 PolarHBondContact O-N 3.46Å; A492-M496 WeakPolarHBondContact O-CE 3.42Å; A492-M496 WeakPolarHBondContact O-CG 3.32Å; A492-M496 PolarHBondContact O-N 3.4Å; A492-L516 HydrophobicContact CB-CD1 3.84Å; A492-L516 HydrophobicContact CB-CD2 3.39Å; A492-L516 HydrophobicContact CB-CG 4.24Å; A492-L546 HydrophobicContact CB-CD2 3.73Å; A492-M549 HydrophobicContact CB-CE 4.32Å; A492-M549 HydrophobicContact CB-SD 4.1Å
493I87.8Confident88.1Confident40 Ų4049.3 Ų49.321%0.20528%0.276CS..Hα-helixtrans-62.5-44176.3-69.1169.2000110.7I445 L446 I489 P490 I491 M496 L497I445-I493 HydrophobicContact CG2-CD1 4.17Å; I445-I493 HydrophobicContact CG2-CG1 4.23Å; L446-I493 HydrophobicContact CD1-CD1 4.31Å; I489-I493 HydrophobicContact CG2-CD1 3.7Å; I489-I493 HydrophobicContact CG2-CG1 4.23Å; I489-I493 WeakPolarHBondContact O-CG1 3.45Å; I489-I493 PolarHBondContact O-N 3.19Å; P490-I493 PolarHBondContact O-N 2.92Å; I491-I493 VanDerWaalsContact C-N 3.35Å; I491-I493 PolarHBondContact O-N 3.16Å; I493-M496 HydrophobicContact CG1-CE 4.28Å; I493-M496 PolarHBondContact O-N 2.85Å; I493-L497 WeakPolarHBondContact O-CB 3.49Å; I493-L497 PolarHBondContact O-N 3.2Å
494V87.7Confident87.8Confident70 Ų7049.2 Ų49.242%0.42427%0.273SS..Hα-helixtrans-64-42.7177172.30000111.1P490 I491 L497 F498P490-V494 WeakPolarHBondContact O-CG2 3.25Å; P490-V494 PolarHBondContact O-N 3.02Å; I491-V494 PolarHBondContact O-N 2.94Å; V494-L497 WeakPolarHBondContact O-CB 3.43Å; V494-L497 PolarHBondContact O-N 2.97Å; V494-F498 HydrophobicContact CG1-CD2 4Å; V494-F498 HydrophobicContact CG1-CE2 3.51Å; V494-F498 HydrophobicContact CG1-CZ 3.91Å; V494-F498 WeakPolarHBondContact O-CG 3.43Å; V494-F498 PolarHBondContact O-N 2.92Å
495L90.7Very high87.6Confident25 Ų2554.5 Ų54.513%0.13130%0.297CS..Hα-helixtrans-65.7-40.5177.8-70.5170.3000112.5I491 A492 L497 F498 M499 L546 M549 V550 N553I491-L495 HydrophobicContact CG2-CD1 4Å; I491-L495 HydrophobicContact CG2-CG 4.43Å; I491-L495 WeakPolarHBondContact O-CG 3.34Å; I491-L495 PolarHBondContact O-N 3.5Å; A492-L495 PolarHBondContact O-N 3.46Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L495-F498 PolarHBondContact O-N 3.28Å; L495-M499 WeakPolarHBondContact O-CG 3.5Å; L495-M499 PolarHBondContact O-N 2.96Å; L495-L546 HydrophobicContact CD1-CD2 3.78Å; L495-M549 HydrophobicContact CB-CB 3.8Å; L495-M549 HydrophobicContact CB-SD 4.14Å; L495-M549 HydrophobicContact CD1-CB 4.19Å; L495-V550 HydrophobicContact CD1-CG2 3.88Å; L495-V550 HydrophobicContact CD2-CG2 3.98Å; L495-N553 PolarHBondContact O-ND2 3.37Å
496M87.4Confident87.3Confident9 Ų957 Ų574%0.04431%0.312CS..Hα-helixtrans-64.8-37.9173.6-75.5-178.4-67.300112V441 I445 A492 I493 F498 M499 E500 V509 L516 M549V441-M496 HydrophobicContact CG1-SD 4.33Å; I445-M496 HydrophobicContact CD1-CE 3.63Å; I445-M496 HydrophobicContact CD1-SD 4.28Å; A492-M496 WeakPolarHBondContact O-CE 3.42Å; A492-M496 WeakPolarHBondContact O-CG 3.32Å; A492-M496 PolarHBondContact O-N 3.4Å; I493-M496 HydrophobicContact CG1-CE 4.28Å; I493-M496 PolarHBondContact O-N 2.85Å; M496-F498 VanDerWaalsContact C-N 3.32Å; M496-M499 WeakPolarHBondContact O-CB 3.41Å; M496-M499 PolarHBondContact O-N 3.29Å; M496-E500 PolarHBondContact O-N 2.9Å; M496-V509 HydrophobicContact CB-CG1 4.33Å; M496-V509 HydrophobicContact CG-CG1 4.39Å; M496-V509 HydrophobicContact SD-CG1 4.5Å; M496-L516 HydrophobicContact CE-CD2 4.44Å; M496-M549 HydrophobicContact CE-CE 4.29Å; M496-M549 HydrophobicContact CG-CE 3.61Å; M496-M549 HydrophobicContact CG-CG 4.39Å; M496-M549 HydrophobicContact CG-SD 3.85Å; M496-M549 HydrophobicContact SD-CE 3.75Å
497L85.4Confident87.3Confident46 Ų4660.8 Ų60.824%0.24132%0.319CS..Hα-helixtrans-60-45.3173.8-17972000110.4F434 I493 V494 L495 M499 E500 M501F434-L497 HydrophobicContact CD1-CD1 3.7Å; F434-L497 HydrophobicContact CE1-CD1 3.44Å; F434-L497 VanDerWaalsContact CE1-CD1 3.44Å; F434-L497 HydrophobicContact CG-CD1 4.42Å; F434-L497 HydrophobicContact CZ-CD1 3.99Å; I493-L497 WeakPolarHBondContact O-CB 3.49Å; I493-L497 PolarHBondContact O-N 3.2Å; V494-L497 WeakPolarHBondContact O-CB 3.43Å; V494-L497 PolarHBondContact O-N 2.97Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L497-M499 VanDerWaalsContact C-N 3.35Å; L497-M499 PolarHBondContact O-N 3.29Å; L497-E500 PolarHBondContact O-N 3.35Å; L497-M501 HydrophobicContact CD2-SD 4.5Å; L497-M501 HydrophobicContact CG-SD 4.09Å; L497-M501 WeakPolarHBondContact O-CB 3.48Å; L497-M501 VanDerWaalsContact O-CG 3.25Å; L497-M501 WeakPolarHBondContact O-CG 3.49Å; L497-M501 PolarHBondContact O-N 3.49Å
498F88.1Confident87.3Confident98 Ų9859.3 Ų59.343%0.4331%0.313SS..Hα-helixtrans-63.9-38175.1-67.5-34000112.8V494 L495 M496 E500 M501 N502 N553V494-F498 HydrophobicContact CG1-CD2 4Å; V494-F498 HydrophobicContact CG1-CE2 3.51Å; V494-F498 HydrophobicContact CG1-CZ 3.91Å; V494-F498 WeakPolarHBondContact O-CG 3.43Å; V494-F498 PolarHBondContact O-N 2.92Å; L495-F498 PolarHBondContact O-N 3.28Å; M496-F498 VanDerWaalsContact C-N 3.32Å; F498-E500 VanDerWaalsContact C-N 3.32Å; F498-E500 PolarHBondContact O-N 3.36Å; F498-M501 HydrophobicContact CD1-SD 4.15Å; F498-M501 CarbonylContact O-C 3.59Å; F498-M501 PolarHBondContact O-N 3.44Å; F498-N502 VanDerWaalsContact O-CB 3.31Å; F498-N502 WeakPolarHBondContact O-CB 3.14Å; F498-N502 VanDerWaalsContact O-CG 3.27Å; F498-N502 PolarHBondContact O-N 2.84Å; F498-N502 PolarHBondContact O-ND2 3.4Å; F498-N553 WeakPolarHBondContact CB-OD1 3.37Å; F498-N553 PolarHBondContact O-OD1 2.94Å
499M88.8Confident87.1Confident0 Ų058 Ų580%031%0.31CS..Hα-helixtrans-59.1-47176-72.8175.166.100110.7L495 M496 L497 N502 G503 A504 M508 V509 M549 A552 N553L495-M499 WeakPolarHBondContact O-CG 3.5Å; L495-M499 PolarHBondContact O-N 2.96Å; M496-M499 WeakPolarHBondContact O-CB 3.41Å; M496-M499 PolarHBondContact O-N 3.29Å; L497-M499 VanDerWaalsContact C-N 3.35Å; L497-M499 PolarHBondContact O-N 3.29Å; M499-N502 PolarHBondContact O-N 3.49Å; M499-G503 PolarHBondContact O-N 3.05Å; M499-A504 HydrophobicContact CB-CB 3.87Å; M499-A504 HydrophobicContact CE-CB 4.3Å; M499-A504 WeakPolarHBondContact O-CB 3.47Å; M499-A504 PolarHBondContact O-N 3.45Å; M499-M508 HydrophobicContact CE-CB 4.01Å; M499-V509 HydrophobicContact CB-CG2 4.29Å; M499-V509 HydrophobicContact CE-CG2 4.32Å; M499-M549 HydrophobicContact SD-CB 3.77Å; M499-M549 HydrophobicContact SD-CG 3.68Å; M499-A552 HydrophobicContact CE-CB 3.74Å; M499-A552 HydrophobicContact CG-CB 4.14Å; M499-A552 HydrophobicContact SD-CB 4.19Å; M499-N553 WeakPolarHBondContact CA-OD1 3.36Å; M499-N553 WeakPolarHBondContact CG-ND2 3.28Å; M499-N553 PolarHBondContact N-OD1 2.95Å
500E84.9Confident87Confident62 Ų6260.4 Ų60.429%0.2932%0.321SS..Hα-helixtrans-65.1-39.3177.8-168.9172.4-174.500111.5F434 H438 M496 L497 F498 N502 G503F434-E500 HydrophobicContact CE1-CB 3.85Å; F434-E500 HydrophobicContact CE1-CG 3.58Å; F434-E500 VanDerWaalsContact CE1-OE2 3.3Å; F434-E500 WeakPolarHBondContact CE1-OE2 3.44Å; F434-E500 HydrophobicContact CZ-CB 4.17Å; F434-E500 HydrophobicContact CZ-CG 3.97Å; H438-E500 IonicContact CD2-OE1 3.99Å; M496-E500 PolarHBondContact O-N 2.9Å; L497-E500 PolarHBondContact O-N 3.35Å; F498-E500 VanDerWaalsContact C-N 3.32Å; F498-E500 PolarHBondContact O-N 3.36Å; E500-N502 VanDerWaalsContact C-N 3.32Å; E500-N502 PolarHBondContact O-N 2.94Å; E500-G503 PolarHBondContact O-N 3.28Å
501M82.9Confident87.2Confident110 Ų11061.4 Ų61.454%0.54232%0.322SS..Hα-helixtrans-65.9-31.2174.6-70.3177.966.800113.5F434 L497 F498 G503F434-M501 HydrophobicContact CE1-CG 4.47Å; F434-M501 HydrophobicContact CE2-CG 3.8Å; F434-M501 HydrophobicContact CZ-CB 4.46Å; F434-M501 HydrophobicContact CZ-CG 3.43Å; F434-M501 VanDerWaalsContact CZ-CG 3.43Å; L497-M501 HydrophobicContact CD2-SD 4.5Å; L497-M501 HydrophobicContact CG-SD 4.09Å; L497-M501 WeakPolarHBondContact O-CB 3.48Å; L497-M501 VanDerWaalsContact O-CG 3.25Å; L497-M501 WeakPolarHBondContact O-CG 3.49Å; L497-M501 PolarHBondContact O-N 3.49Å; F498-M501 HydrophobicContact CD1-SD 4.15Å; F498-M501 CarbonylContact O-C 3.59Å; F498-M501 PolarHBondContact O-N 3.44Å; M501-G503 PolarHBondContact O-N 2.91Å
502N87.7Confident87.3Confident105 Ų10557.2 Ų57.256%0.56130%0.301SS*.THydrogen-bonded Turntrans-83.94.4177.3-72.4-18.6000112.9F498 M499 E500 N553F498-N502 VanDerWaalsContact O-CB 3.31Å; F498-N502 WeakPolarHBondContact O-CB 3.14Å; F498-N502 VanDerWaalsContact O-CG 3.27Å; F498-N502 PolarHBondContact O-N 2.84Å; F498-N502 PolarHBondContact O-ND2 3.4Å; M499-N502 PolarHBondContact O-N 3.49Å; E500-N502 VanDerWaalsContact C-N 3.32Å; E500-N502 PolarHBondContact O-N 2.94Å; N502-N553 PolarHBondContact ND2-OD1 2.74Å
503G83.8Confident87.2Confident62 Ų6257.4 Ų57.464%0.63930%0.302SS*.THydrogen-bonded Turntrans78.423.417800000114.2M499 E500 M501M499-G503 PolarHBondContact O-N 3.05Å; E500-G503 PolarHBondContact O-N 3.28Å; M501-G503 PolarHBondContact O-N 2.91Å
504A84.4Confident87.3Confident24 Ų2460.5 Ų60.520%0.19832%0.318CS..  trans-60.6140.5174.400000111.2M499 T506M499-A504 HydrophobicContact CB-CB 3.87Å; M499-A504 HydrophobicContact CE-CB 4.3Å; M499-A504 WeakPolarHBondContact O-CB 3.47Å; M499-A504 PolarHBondContact O-N 3.45Å; A504-T506 PolarHBondContact O-N 2.92Å
505E86Confident87.6Confident121 Ų12159.4 Ų59.457%0.56531%0.312SS*.  trans-59.1139177-73.2-68.9170.600111.5W507 M508E505-W507 HydrophobicContact CB-CG 4.39Å; E505-W507 VanDerWaalsContact CB-NE1 3.29Å; E505-W507 PolarHBondContact O-N 3.44Å; E505-W507 VanDerWaalsContact O-N 3.07Å; E505-M508 HydrophobicContact CB-CG 4.29Å; E505-M508 HydrophobicContact CB-SD 4.26Å; E505-M508 WeakPolarHBondContact O-CB 3.37Å; E505-M508 PolarHBondContact O-N 3.35Å
506T82.4Confident87.7Confident53 Ų5358.2 Ų58.233%0.32531%0.306SS..Hα-helixtrans-52.6-39.6-174.3-510000112.6H438 A504 M508 V509 H510H438-T506 WeakPolarHBondContact CE1-CG2 3.5Å; H438-T506 WeakPolarHBondContact ND1-CG2 3.3Å; H438-T506 WeakPolarHBondContact NE2-CG2 3.24Å; A504-T506 PolarHBondContact O-N 2.92Å; T506-M508 VanDerWaalsContact C-N 3.27Å; T506-M508 PolarHBondContact O-N 3.32Å; T506-V509 PolarHBondContact O-N 3.42Å; T506-H510 PolarHBondContact O-CD2 3.5Å; T506-H510 PolarHBondContact O-N 3.23Å; T506-H510 VanDerWaalsContact O-N 3.12Å
507W87.8Confident87.8Confident152 Ų15260.5 Ų60.558%0.57632%0.317SS*.Hα-helixtrans-63.5-32.6-17968.3-96.7000112.4E505 H510 I511E505-W507 HydrophobicContact CB-CG 4.39Å; E505-W507 VanDerWaalsContact CB-NE1 3.29Å; E505-W507 PolarHBondContact O-N 3.44Å; E505-W507 VanDerWaalsContact O-N 3.07Å; W507-H510 PolarHBondContact O-N 3.36Å; W507-I511 HydrophobicContact CE3-CD1 3.53Å; W507-I511 HydrophobicContact CE3-CG1 4.39Å; W507-I511 HydrophobicContact CZ3-CD1 3.75Å; W507-I511 WeakPolarHBondContact O-CG1 3.4Å; W507-I511 PolarHBondContact O-N 2.95Å
508M89Confident88.1Confident58 Ų5860.3 Ų60.329%0.28632%0.323SS..Hα-helixtrans-66.9-44.2178.7-64176.764.400110.9M499 E505 T506 H510 I511 C512 A552M499-M508 HydrophobicContact CE-CB 4.01Å; E505-M508 HydrophobicContact CB-CG 4.29Å; E505-M508 HydrophobicContact CB-SD 4.26Å; E505-M508 WeakPolarHBondContact O-CB 3.37Å; E505-M508 PolarHBondContact O-N 3.35Å; T506-M508 VanDerWaalsContact C-N 3.27Å; T506-M508 PolarHBondContact O-N 3.32Å; M508-H510 VanDerWaalsContact C-N 3.31Å; M508-H510 PolarHBondContact O-N 2.88Å; M508-I511 PolarHBondContact O-N 3.24Å; M508-C512 WeakPolarHBondContact O-CB 3.26Å; M508-C512 PolarHBondContact O-N 3.21Å; M508-C512 PolarHBondContact O-SG 3.37Å; M508-A552 HydrophobicContact CE-CB 4.01Å
509V87.3Confident88.3Confident20 Ų2055.7 Ų55.712%0.12130%0.302CS..Hα-helixtrans-61.5-43.2176.9-176.60000110.1M496 M499 T506 G513M496-V509 HydrophobicContact CB-CG1 4.33Å; M496-V509 HydrophobicContact CG-CG1 4.39Å; M496-V509 HydrophobicContact SD-CG1 4.5Å; M499-V509 HydrophobicContact CB-CG2 4.29Å; M499-V509 HydrophobicContact CE-CG2 4.32Å; T506-V509 PolarHBondContact O-N 3.42Å; V509-G513 PolarHBondContact O-N 3.47Å
510H87.7Confident88.4Confident55 Ų5556.1 Ų56.126%0.25530%0.304SS..Hα-helixtrans-62.7-47.1176.2-75.9-61.3000113.1H438 V441 T506 W507 M508 C512 G513 I514H438-H510 AromaticContact ND1-NE2 3.96Å; V441-H510 WeakPolarHBondContact CG2-ND1 3.39Å; T506-H510 PolarHBondContact O-CD2 3.5Å; T506-H510 PolarHBondContact O-N 3.23Å; T506-H510 VanDerWaalsContact O-N 3.12Å; W507-H510 PolarHBondContact O-N 3.36Å; M508-H510 VanDerWaalsContact C-N 3.31Å; M508-H510 PolarHBondContact O-N 2.88Å; H510-C512 PolarHBondContact O-N 3.44Å; H510-G513 PolarHBondContact O-N 3.11Å; H510-I514 WeakPolarHBondContact O-CB 3.32Å; H510-I514 WeakPolarHBondContact O-CD1 3.46Å; H510-I514 WeakPolarHBondContact O-CG1 3.38Å; H510-I514 PolarHBondContact O-N 3.46Å
511I90.5Very high88.7Confident84 Ų8457.2 Ų57.243%0.43131%0.312SS..Hα-helixtrans-60.4-48.9178.5-71.5179.9000110.3W507 M508 G513 I514 V515W507-I511 HydrophobicContact CE3-CD1 3.53Å; W507-I511 HydrophobicContact CE3-CG1 4.39Å; W507-I511 HydrophobicContact CZ3-CD1 3.75Å; W507-I511 WeakPolarHBondContact O-CG1 3.4Å; W507-I511 PolarHBondContact O-N 2.95Å; M508-I511 PolarHBondContact O-N 3.24Å; I511-G513 VanDerWaalsContact C-N 3.31Å; I511-G513 PolarHBondContact O-N 3.18Å; I511-I514 PolarHBondContact O-N 2.85Å; I511-V515 HydrophobicContact CG2-CG2 4.29Å; I511-V515 VanDerWaalsContact O-CG2 3.28Å; I511-V515 WeakPolarHBondContact O-CG2 3.4Å; I511-V515 PolarHBondContact O-N 3.25Å
512C91.6Very high89.1Confident8 Ų854.8 Ų54.85%0.05430%0.299CS..Hα-helixtrans-61-42.1-179.8-65.80000111.4M508 H510 L516 M549M508-C512 WeakPolarHBondContact O-CB 3.26Å; M508-C512 PolarHBondContact O-N 3.21Å; M508-C512 PolarHBondContact O-SG 3.37Å; H510-C512 PolarHBondContact O-N 3.44Å; C512-L516 WeakPolarHBondContact O-CB 3.49Å; C512-L516 PolarHBondContact O-N 2.94Å; C512-M549 HydrophobicContact CB-CE 3.51Å; C512-M549 HydrophobicContact CB-CG 3.77Å; C512-M549 WeakPolarHBondContact O-CE 3.32Å
513G89.7Confident89.3Confident3 Ų350.3 Ų50.33%0.03128%0.275CS..Hα-helixtrans-67.4-38.1176.600000114.4V509 H510 I511 L516 L517V509-G513 PolarHBondContact O-N 3.47Å; H510-G513 PolarHBondContact O-N 3.11Å; I511-G513 VanDerWaalsContact C-N 3.31Å; I511-G513 PolarHBondContact O-N 3.18Å; G513-L516 PolarHBondContact O-N 2.89Å; G513-L517 WeakPolarHBondContact O-CB 3.39Å; G513-L517 PolarHBondContact O-N 3.44Å
514I90.3Very high89.6Confident105 Ų10550.2 Ų50.254%0.53826%0.256SS..Hα-helixtrans-67.1-46.4175.9-71.1165.1000110.5H510 I511 L516 L517 A518H510-I514 WeakPolarHBondContact O-CB 3.32Å; H510-I514 WeakPolarHBondContact O-CD1 3.46Å; H510-I514 WeakPolarHBondContact O-CG1 3.38Å; H510-I514 PolarHBondContact O-N 3.46Å; I511-I514 PolarHBondContact O-N 2.85Å; I514-L516 VanDerWaalsContact C-N 3.29Å; I514-L516 PolarHBondContact O-N 2.97Å; I514-L517 PolarHBondContact O-N 2.95Å; I514-A518 WeakPolarHBondContact O-CB 3.4Å; I514-A518 PolarHBondContact O-N 3.24Å
515V92.4Very high89.8Confident47 Ų4753.7 Ų53.729%0.28527%0.265SS..Hα-helixtrans-62-40.3177.7175.80000110.6I511 G519 A541 A545I511-V515 HydrophobicContact CG2-CG2 4.29Å; I511-V515 VanDerWaalsContact O-CG2 3.28Å; I511-V515 WeakPolarHBondContact O-CG2 3.4Å; I511-V515 PolarHBondContact O-N 3.25Å; V515-G519 PolarHBondContact O-N 3.23Å; V515-A541 HydrophobicContact CG1-CB 4.38Å; V515-A541 WeakPolarHBondContact CG1-O 3.49Å; V515-A545 HydrophobicContact CB-CB 4.29Å; V515-A545 HydrophobicContact CG1-CB 4Å
516L92.7Very high90Very high1 Ų148 Ų481%0.00524%0.239CC..Hα-helixtrans-59.8-53.7173.5-17678.2000111I445 A492 M496 C512 G513 I514 A518 G519 R520 T542 A545 M549I445-L516 HydrophobicContact CD1-CD2 3.94Å; I445-L516 HydrophobicContact CG1-CD2 4.46Å; I445-L516 HydrophobicContact CG2-CD2 4.26Å; A492-L516 HydrophobicContact CB-CD1 3.84Å; A492-L516 HydrophobicContact CB-CD2 3.39Å; A492-L516 HydrophobicContact CB-CG 4.24Å; M496-L516 HydrophobicContact CE-CD2 4.44Å; C512-L516 WeakPolarHBondContact O-CB 3.49Å; C512-L516 PolarHBondContact O-N 2.94Å; G513-L516 PolarHBondContact O-N 2.89Å; I514-L516 VanDerWaalsContact C-N 3.29Å; I514-L516 PolarHBondContact O-N 2.97Å; L516-A518 PolarHBondContact O-N 2.91Å; L516-G519 PolarHBondContact O-N 3.24Å; L516-R520 WeakPolarHBondContact O-CG 3.25Å; L516-R520 PolarHBondContact O-N 3.2Å; L516-T542 HydrophobicContact CD1-CG2 3.88Å; L516-A545 HydrophobicContact CB-CB 4.18Å; L516-A545 HydrophobicContact CD1-CB 4.45Å; L516-M549 HydrophobicContact CB-CE 4.4Å
517L90.4Very high90.1Very high56 Ų5647.7 Ų47.729%0.29323%0.233SC..Hα-helixtrans-59.6-46.7-178-174.767.8000111.4A444 G513 I514 G519 R520 L521A444-L517 HydrophobicContact CB-CD2 4.32Å; G513-L517 WeakPolarHBondContact O-CB 3.39Å; G513-L517 PolarHBondContact O-N 3.44Å; I514-L517 PolarHBondContact O-N 2.95Å; L517-G519 PolarHBondContact O-N 3.21Å; L517-R520 PolarHBondContact O-N 3.22Å; L517-L521 HydrophobicContact CG-CD1 4.33Å; L517-L521 WeakPolarHBondContact O-CG 3.49Å; L517-L521 PolarHBondContact O-N 2.85Å
518A91.4Very high89.9Confident43 Ų4346 Ų4636%0.35523%0.231SC..Hα-helixtrans-59.2-45.7175.500000111.3I514 L516 R520 L521 M522I514-A518 WeakPolarHBondContact O-CB 3.4Å; I514-A518 PolarHBondContact O-N 3.24Å; L516-A518 PolarHBondContact O-N 2.91Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 3.45Å; A518-L521 PolarHBondContact O-N 2.95Å; A518-M522 WeakPolarHBondContact O-CB 3.45Å; A518-M522 VanDerWaalsContact O-CG 3.25Å; A518-M522 WeakPolarHBondContact O-CG 3.44Å; A518-M522 PolarHBondContact O-N 3.33Å
519G92.9Very high89.7Confident0 Ų047.6 Ų47.60%024%0.238CC..Hα-helixtrans-59.2-40.7176.300000113.2V515 L516 L517 H523 G538V515-G519 PolarHBondContact O-N 3.23Å; L516-G519 PolarHBondContact O-N 3.24Å; L517-G519 PolarHBondContact O-N 3.21Å; G519-H523 WeakPolarHBondContact O-CB 3.34Å; G519-H523 PolarHBondContact O-N 3.2Å; G519-G538 CarbonylContact O-C 3.45Å; G519-G538 VanDerWaalsContact O-CA 3.23Å; G519-G538 WeakPolarHBondContact O-CA 3.23Å
520R91.8Very high89.6Confident10 Ų1056 Ų564%0.03827%0.267CS..Hα-helixtrans-68.3-40176.6-63.2-58.883.2-164.1-7.5112.4N484 I489 L516 L517 A518 H523 Y524 G538 M539 T542N484-R520 PolarHBondContact OD1-NH1 3.04Å; I489-R520 HydrophobicContact CD1-CG 4.15Å; I489-R520 HydrophobicContact CG1-CG 4.23Å; L516-R520 WeakPolarHBondContact O-CG 3.25Å; L516-R520 PolarHBondContact O-N 3.2Å; L517-R520 PolarHBondContact O-N 3.22Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 3.45Å; R520-H523 PolarHBondContact O-N 3.04Å; R520-Y524 WeakPolarHBondContact O-CB 3.48Å; R520-Y524 PolarHBondContact O-N 3.27Å; R520-G538 PolarHBondContact NH2-O 3.23Å; R520-M539 PolarHBondContact NH2-SD 3.5Å; R520-T542 PolarHBondContact NE-OG1 3.42Å; R520-T542 PolarHBondContact NH2-OG1 3.38Å
521L90.1Very high89.6Confident85 Ų8556.8 Ų56.845%0.44527%0.273SS..Hα-helixtrans-67.6-41.5175.5-69.5173.9000112.1L517 A518 H523 Y524 Y525L517-L521 HydrophobicContact CG-CD1 4.33Å; L517-L521 WeakPolarHBondContact O-CG 3.49Å; L517-L521 PolarHBondContact O-N 2.85Å; A518-L521 PolarHBondContact O-N 2.95Å; L521-H523 VanDerWaalsContact C-N 3.35Å; L521-Y524 WeakPolarHBondContact O-CB 3.45Å; L521-Y524 PolarHBondContact O-N 2.98Å; L521-Y525 WeakPolarHBondContact O-CB 3.47Å; L521-Y525 PolarHBondContact O-N 3.07Å
522M91.6Very high89.4Confident58 Ų5858.9 Ų58.929%0.28628%0.279SS..Hα-helixtrans-63.6-40.8174.5-70.5176.68300111.8A518 Y525 G526 W534A518-M522 WeakPolarHBondContact O-CB 3.45Å; A518-M522 VanDerWaalsContact O-CG 3.25Å; A518-M522 WeakPolarHBondContact O-CG 3.44Å; A518-M522 PolarHBondContact O-N 3.33Å; M522-Y525 PolarHBondContact O-N 3.34Å; M522-G526 PolarHBondContact O-N 2.98Å; M522-W534 HydrophobicContact CB-CE3 4.18Å; M522-W534 HydrophobicContact CE-CE3 3.76Å; M522-W534 HydrophobicContact CE-CZ3 3.75Å; M522-W534 HydrophobicContact CG-CE3 4Å; M522-W534 HydrophobicContact CG-CZ3 4Å
523H91.2Very high89.4Confident12 Ų1268.4 Ų68.46%0.05631%0.314CS..Hα-helixtrans-64.3-45.4175.9-176.2-98.7000111.4N484 G519 R520 L521 G526 F527 R535N484-H523 PolarHBondContact OD1-CE1 3.48Å; N484-H523 PolarHBondContact OD1-ND1 2.93Å; G519-H523 WeakPolarHBondContact O-CB 3.34Å; G519-H523 PolarHBondContact O-N 3.2Å; R520-H523 PolarHBondContact O-N 3.04Å; L521-H523 VanDerWaalsContact C-N 3.35Å; H523-G526 PolarHBondContact O-N 3.23Å; H523-F527 WeakPolarHBondContact O-CB 3.41Å; H523-F527 PolarHBondContact O-N 2.92Å; H523-R535 VanDerWaalsContact CD2-CG 3.49Å; H523-R535 WeakPolarHBondContact CD2-CG 3.3Å; H523-R535 WeakPolarHBondContact NE2-CG 3.33Å
524Y89.8Confident89.4Confident60 Ų6073.5 Ų73.524%0.23533%0.332CS..Hα-helixtrans-55.4-52172.9169.7-96.5000111.6F452 I481 R520 L521 G526 F527 H528F452-Y524 AromaticContact CD1-CD2 3.93Å; F452-Y524 HydrophobicContact CD1-CD2 3.93Å; F452-Y524 HydrophobicContact CD1-CE2 4.36Å; F452-Y524 AromaticContact CE1-CD2 3.49Å; F452-Y524 HydrophobicContact CE1-CD2 3.49Å; F452-Y524 VanDerWaalsContact CE1-CD2 3.49Å; F452-Y524 HydrophobicContact CE1-CE2 4.23Å; F452-Y524 AromaticContact CE1-CG 3.83Å; F452-Y524 HydrophobicContact CE1-CG 3.83Å; I481-Y524 HydrophobicContact CD1-CD2 3.95Å; I481-Y524 HydrophobicContact CD1-CE2 4.27Å; I481-Y524 HydrophobicContact CG2-CD2 3.74Å; R520-Y524 WeakPolarHBondContact O-CB 3.48Å; R520-Y524 PolarHBondContact O-N 3.27Å; L521-Y524 WeakPolarHBondContact O-CB 3.45Å; L521-Y524 PolarHBondContact O-N 2.98Å; Y524-G526 PolarHBondContact O-N 3.46Å; Y524-F527 PolarHBondContact O-N 2.89Å; Y524-H528 WeakPolarHBondContact O-CB 3.37Å; Y524-H528 PolarHBondContact O-N 2.91Å
525Y90.2Very high89.4Confident96 Ų9673.9 Ų73.938%0.37633%0.327SS..Hα-helixtrans-59.8-44.6-179.9-178-96.3000112.2L521 M522 F527 H528 H529 L531 W534L521-Y525 WeakPolarHBondContact O-CB 3.47Å; L521-Y525 PolarHBondContact O-N 3.07Å; M522-Y525 PolarHBondContact O-N 3.34Å; Y525-F527 VanDerWaalsContact C-N 3.32Å; Y525-F527 PolarHBondContact O-N 3.47Å; Y525-H528 PolarHBondContact O-N 3.27Å; Y525-H529 AromaticContact CD2-CE1 3.55Å; Y525-H529 AromaticContact CD2-ND1 3.49Å; Y525-H529 WeakPolarHBondContact CD2-ND1 3.31Å; Y525-H529 AromaticContact CE2-CE1 3.26Å; Y525-H529 WeakPolarHBondContact CE2-CE1 3.36Å; Y525-H529 AromaticContact CE2-ND1 3.39Å; Y525-H529 WeakPolarHBondContact CE2-ND1 3.1Å; Y525-H529 AromaticContact CE2-NE2 3.96Å; Y525-H529 AromaticContact CG-ND1 3.95Å; Y525-H529 AromaticContact CZ-CE1 3.96Å; Y525-H529 AromaticContact CZ-ND1 3.78Å; Y525-H529 PolarHBondContact O-N 2.73Å; Y525-H529 PolarHBondContact O-ND1 3.33Å; Y525-H529 VanDerWaalsContact O-ND1 3.11Å; Y525-L531 HydrophobicContact CE1-CD1 3.9Å; Y525-W534 HydrophobicContact CD1-CB 4.28Å; Y525-W534 AromaticContact CD1-CD2 3.77Å; Y525-W534 HydrophobicContact CD1-CD2 3.77Å; Y525-W534 HydrophobicContact CD1-CE3 4.09Å; Y525-W534 AromaticContact CD1-CG 3.85Å; Y525-W534 HydrophobicContact CD1-CG 3.85Å; Y525-W534 HydrophobicContact CE1-CD2 4.07Å; Y525-W534 AromaticContact CE1-CE2 3.97Å; Y525-W534 HydrophobicContact CE1-CG 4.19Å; Y525-W534 HydrophobicContact CE1-CZ2 4.48Å; Y525-W534 AromaticContact CE1-NE1 3.99Å
526G88.4Confident89.3Confident2 Ų279.8 Ų79.82%0.02134%0.344CS..Hα-helixtrans-65.2-34177.700000113.5M522 H523 Y524 R530 L531M522-G526 PolarHBondContact O-N 2.98Å; H523-G526 PolarHBondContact O-N 3.23Å; Y524-G526 PolarHBondContact O-N 3.46Å; G526-R530 CarbonylContact O-C 3.37Å; G526-R530 WeakPolarHBondContact O-CA 3.18Å; G526-R530 PolarHBondContact O-N 3.43Å; G526-L531 PolarHBondContact O-N 3.26Å
527F85.8Confident89.3Confident47 Ų4782.4 Ų82.421%0.20636%0.363CS..Hα-helixtrans-72.2-46.6175.3-152.8-66.6000111.2S477 R480 I481 H523 Y524 Y525 H529 R530S477-F527 WeakPolarHBondContact OG-CE1 3.39Å; R480-F527 HydrophobicContact CB-CE2 3.98Å; R480-F527 HydrophobicContact CB-CZ 3.76Å; R480-F527 HydrophobicContact CG-CE2 3.64Å; R480-F527 HydrophobicContact CG-CZ 3.85Å; I481-F527 HydrophobicContact CD1-CB 3.78Å; I481-F527 HydrophobicContact CD1-CD1 3.91Å; I481-F527 HydrophobicContact CD1-CG 3.94Å; I481-F527 HydrophobicContact CG1-CB 3.7Å; I481-F527 HydrophobicContact CG1-CD1 3.88Å; I481-F527 HydrophobicContact CG1-CD2 4.11Å; I481-F527 HydrophobicContact CG1-CG 3.59Å; H523-F527 WeakPolarHBondContact O-CB 3.41Å; H523-F527 PolarHBondContact O-N 2.92Å; Y524-F527 PolarHBondContact O-N 2.89Å; Y525-F527 VanDerWaalsContact C-N 3.32Å; Y525-F527 PolarHBondContact O-N 3.47Å; F527-H529 PolarHBondContact O-N 3.43Å; F527-R530 PolarHBondContact O-N 3.05Å
528H83.4Confident89.4Confident115 Ų11579.8 Ų79.853%0.53235%0.349SS..Hα-helixtrans-62.5-42.7-178.3-163.976.4000112.5Y524 Y525Y524-H528 WeakPolarHBondContact O-CB 3.37Å; Y524-H528 PolarHBondContact O-N 2.91Å; Y525-H528 PolarHBondContact O-N 3.27Å
529H85.4Confident89.5Confident93 Ų9379.6 Ų79.643%0.43134%0.341SS..THydrogen-bonded Turntrans-93.27.4-179.5-62.383.8000113.7Y525 F527 L531Y525-H529 AromaticContact CD2-CE1 3.55Å; Y525-H529 AromaticContact CD2-ND1 3.49Å; Y525-H529 WeakPolarHBondContact CD2-ND1 3.31Å; Y525-H529 AromaticContact CE2-CE1 3.26Å; Y525-H529 WeakPolarHBondContact CE2-CE1 3.36Å; Y525-H529 AromaticContact CE2-ND1 3.39Å; Y525-H529 WeakPolarHBondContact CE2-ND1 3.1Å; Y525-H529 AromaticContact CE2-NE2 3.96Å; Y525-H529 AromaticContact CG-ND1 3.95Å; Y525-H529 AromaticContact CZ-CE1 3.96Å; Y525-H529 AromaticContact CZ-ND1 3.78Å; Y525-H529 PolarHBondContact O-N 2.73Å; Y525-H529 PolarHBondContact O-ND1 3.33Å; Y525-H529 VanDerWaalsContact O-ND1 3.11Å; F527-H529 PolarHBondContact O-N 3.43Å; H529-L531 HydrophobicContact CB-CD1 3.92Å; H529-L531 HydrophobicContact CB-CG 3.85Å; H529-L531 PolarHBondContact O-N 3.46Å; H529-L531 VanDerWaalsContact O-N 3.16Å
530R84.4Confident89.5Confident197 Ų19782.5 Ų82.574%0.74336%0.361SS*.THydrogen-bonded Turntrans53.632-176.2-56.6-177.3177.1-176.20.1113.7G526 F527G526-R530 CarbonylContact O-C 3.37Å; G526-R530 WeakPolarHBondContact O-CA 3.18Å; G526-R530 PolarHBondContact O-N 3.43Å; F527-R530 PolarHBondContact O-N 3.05Å
531L88Confident89.6Confident71 Ų7183.1 Ų83.137%0.37237%0.369SS..  trans-94.8103-179.8-61176.7000111Y525 G526 H529 R533 W534 R535Y525-L531 HydrophobicContact CE1-CD1 3.9Å; G526-L531 PolarHBondContact O-N 3.26Å; H529-L531 HydrophobicContact CB-CD1 3.92Å; H529-L531 HydrophobicContact CB-CG 3.85Å; H529-L531 PolarHBondContact O-N 3.46Å; H529-L531 VanDerWaalsContact O-N 3.16Å; L531-R533 VanDerWaalsContact C-N 3.29Å; L531-R533 PolarHBondContact O-N 2.81Å; L531-W534 HydrophobicContact CB-CB 4.37Å; L531-W534 HydrophobicContact CB-CG 4.45Å; L531-W534 PolarHBondContact O-N 2.91Å; L531-R535 PolarHBondContact O-N 3.27Å
532F87Confident89.8Confident127 Ų12779.1 Ų79.156%0.55735%0.347SS*.Hα-helixtrans-56.8-38.3-177.8-176.2-101.4000113.7W534 R535 R536F532-W534 PolarHBondContact O-N 2.77Å; F532-R535 PolarHBondContact O-N 3.26Å; F532-R536 PolarHBondContact O-N 3.29Å
533R89.8Confident90Very high208 Ų20884 Ų8479%0.78536%0.363SS*.Hα-helixtrans-60.1-43.3-179.9-67.3-179.368.1179.71.1112.5L531 S537L531-R533 VanDerWaalsContact C-N 3.29Å; L531-R533 PolarHBondContact O-N 2.81Å; R533-S537 WeakPolarHBondContact O-CB 3.47Å; R533-S537 PolarHBondContact O-N 3.47Å; R533-S537 PolarHBondContact O-OG 2.95Å
534W90.8Very high90.2Very high111 Ų11186.8 Ų86.842%0.4238%0.383SS..Hα-helixtrans-70.8-38.1178.4-73.792.7000111.7M522 Y525 L531 F532 S537 G538M522-W534 HydrophobicContact CB-CE3 4.18Å; M522-W534 HydrophobicContact CE-CE3 3.76Å; M522-W534 HydrophobicContact CE-CZ3 3.75Å; M522-W534 HydrophobicContact CG-CE3 4Å; M522-W534 HydrophobicContact CG-CZ3 4Å; Y525-W534 HydrophobicContact CD1-CB 4.28Å; Y525-W534 AromaticContact CD1-CD2 3.77Å; Y525-W534 HydrophobicContact CD1-CD2 3.77Å; Y525-W534 HydrophobicContact CD1-CE3 4.09Å; Y525-W534 AromaticContact CD1-CG 3.85Å; Y525-W534 HydrophobicContact CD1-CG 3.85Å; Y525-W534 HydrophobicContact CE1-CD2 4.07Å; Y525-W534 AromaticContact CE1-CE2 3.97Å; Y525-W534 HydrophobicContact CE1-CG 4.19Å; Y525-W534 HydrophobicContact CE1-CZ2 4.48Å; Y525-W534 AromaticContact CE1-NE1 3.99Å; L531-W534 HydrophobicContact CB-CB 4.37Å; L531-W534 HydrophobicContact CB-CG 4.45Å; L531-W534 PolarHBondContact O-N 2.91Å; F532-W534 PolarHBondContact O-N 2.77Å; W534-S537 PolarHBondContact O-N 3.29Å; W534-G538 PolarHBondContact O-N 3.4Å
535R89.6Confident90.4Very high113 Ų11383.9 Ų83.943%0.42637%0.372SS..Hα-helixtrans-60.6-47.9174-161.5-176.898.2-165.56.2111.6H523 L531 F532 M539H523-R535 VanDerWaalsContact CD2-CG 3.49Å; H523-R535 WeakPolarHBondContact CD2-CG 3.3Å; H523-R535 WeakPolarHBondContact NE2-CG 3.33Å; L531-R535 PolarHBondContact O-N 3.27Å; F532-R535 PolarHBondContact O-N 3.26Å; R535-M539 WeakPolarHBondContact O-CG 3.29Å; R535-M539 PolarHBondContact O-N 2.89Å
536R90.8Very high90.5Very high171 Ų17180.5 Ų80.565%0.64536%0.36SS*.Hα-helixtrans-62.5-49178.4-176.2176.2178.3166.20.2111.1F532 G538 M539 S540F532-R536 PolarHBondContact O-N 3.29Å; R536-G538 PolarHBondContact O-N 3.38Å; R536-M539 PolarHBondContact O-N 2.94Å; R536-S540 PolarHBondContact O-N 3.38Å; R536-S540 PolarHBondContact O-OG 3.38Å
537S92.3Very high90.8Very high56 Ų5685.6 Ų85.639%0.39239%0.386SS..Hα-helixtrans-63.2-41.8-179-52.90000111.9R533 W534 S540 A541R533-S537 WeakPolarHBondContact O-CB 3.47Å; R533-S537 PolarHBondContact O-N 3.47Å; R533-S537 PolarHBondContact O-OG 2.95Å; W534-S537 PolarHBondContact O-N 3.29Å; S537-S540 PolarHBondContact O-N 2.97Å; S537-A541 WeakPolarHBondContact O-CB 3.32Å; S537-A541 PolarHBondContact O-N 2.91Å
538G92.7Very high91.2Very high0 Ų087.6 Ų87.60%040%0.398CS..Hα-helixtrans-65.4-37.2176.200000113.7G519 R520 W534 R536 T542G519-G538 CarbonylContact O-C 3.45Å; G519-G538 VanDerWaalsContact O-CA 3.23Å; G519-G538 WeakPolarHBondContact O-CA 3.23Å; R520-G538 PolarHBondContact NH2-O 3.23Å; W534-G538 PolarHBondContact O-N 3.4Å; R536-G538 PolarHBondContact O-N 3.38Å; G538-T542 PolarHBondContact O-N 3.2Å; G538-T542 PolarHBondContact O-OG1 3.17Å; G538-T542 VanDerWaalsContact O-OG1 3.07Å
539M92.9Very high91.7Very high40 Ų4082.1 Ų82.120%0.19737%0.373CS..Hα-helixtrans-65.8-47.2171.6-77.6-57.4-64.800111.9Y488 R520 R535 R536 A541 T542 W543Y488-M539 HydrophobicContact CE2-CE 3.91Å; R520-M539 PolarHBondContact NH2-SD 3.5Å; R535-M539 WeakPolarHBondContact O-CG 3.29Å; R535-M539 PolarHBondContact O-N 2.89Å; R536-M539 PolarHBondContact O-N 2.94Å; M539-A541 PolarHBondContact O-N 2.97Å; M539-T542 PolarHBondContact O-N 3Å; M539-W543 VanDerWaalsContact O-CD1 3.27Å; M539-W543 PolarHBondContact O-N 3.29Å
540S94Very high92Very high61 Ų6180.7 Ų80.743%0.42737%0.371SS..Hα-helixtrans-57.9-46.5177.3-65.90000111.9R536 S537 T542 W543 C544R536-S540 PolarHBondContact O-N 3.38Å; R536-S540 PolarHBondContact O-OG 3.38Å; S537-S540 PolarHBondContact O-N 2.97Å; S540-T542 VanDerWaalsContact C-N 3.3Å; S540-T542 PolarHBondContact O-N 3.44Å; S540-W543 PolarHBondContact O-N 2.9Å; S540-C544 WeakPolarHBondContact O-CB 3.46Å; S540-C544 PolarHBondContact O-N 3.26Å; S540-C544 PolarHBondContact O-SG 2.89Å
541A94.4Very high92.4Very high23 Ų2376 Ų7619%0.1936%0.36CS..Hα-helixtrans-59.5-39.2177.700000112.7V515 S537 M539 C544 A545V515-A541 HydrophobicContact CG1-CB 4.38Å; V515-A541 WeakPolarHBondContact CG1-O 3.49Å; S537-A541 WeakPolarHBondContact O-CB 3.32Å; S537-A541 PolarHBondContact O-N 2.91Å; M539-A541 PolarHBondContact O-N 2.97Å; A541-C544 PolarHBondContact O-N 3.39Å; A541-A545 WeakPolarHBondContact O-CB 3.09Å; A541-A545 PolarHBondContact O-N 2.86Å
542T94.2Very high92.4Very high0 Ų074 Ų740%035%0.353CS..Hα-helixtrans-68.9-39.7176.8-62.60000112.8Y488 L516 R520 G538 M539 S540 A545 L546Y488-T542 HydrophobicContact CD1-CG2 4.26Å; Y488-T542 HydrophobicContact CG-CG2 4.08Å; L516-T542 HydrophobicContact CD1-CG2 3.88Å; R520-T542 PolarHBondContact NE-OG1 3.42Å; R520-T542 PolarHBondContact NH2-OG1 3.38Å; G538-T542 PolarHBondContact O-N 3.2Å; G538-T542 PolarHBondContact O-OG1 3.17Å; G538-T542 VanDerWaalsContact O-OG1 3.07Å; M539-T542 PolarHBondContact O-N 3Å; S540-T542 VanDerWaalsContact C-N 3.3Å; S540-T542 PolarHBondContact O-N 3.44Å; T542-A545 PolarHBondContact O-N 3.41Å; T542-L546 HydrophobicContact CG2-CD1 4.11Å; T542-L546 WeakPolarHBondContact O-CG 3.1Å; T542-L546 PolarHBondContact O-N 3.05Å
543W95Very high92.4Very high161 Ų16169.5 Ų69.561%0.6134%0.335SS*.Hα-helixtrans-65.9-42174.6-82.655.8000111.6Y488 M539 S540 L546 L547Y488-W543 AromaticContact CE1-NE1 3.78Å; Y488-W543 AromaticContact CZ-NE1 3.92Å; M539-W543 VanDerWaalsContact O-CD1 3.27Å; M539-W543 PolarHBondContact O-N 3.29Å; S540-W543 PolarHBondContact O-N 2.9Å; W543-L546 PolarHBondContact O-N 3.39Å; W543-L547 WeakPolarHBondContact O-CB 3.29Å; W543-L547 PolarHBondContact O-N 2.89Å
544C94.9Very high92.2Very high70 Ų7068.6 Ų68.647%0.47335%0.345SS..Hα-helixtrans-58.8-46.5172.8-70.30000111.6S540 A541 L547 L548S540-C544 WeakPolarHBondContact O-CB 3.46Å; S540-C544 PolarHBondContact O-N 3.26Å; S540-C544 PolarHBondContact O-SG 2.89Å; A541-C544 PolarHBondContact O-N 3.39Å; C544-L547 PolarHBondContact O-N 3.14Å; C544-L548 WeakPolarHBondContact O-CB 3.47Å; C544-L548 VanDerWaalsContact O-CG 3.29Å; C544-L548 WeakPolarHBondContact O-CG 3.4Å; C544-L548 PolarHBondContact O-N 3.31Å
545A93.5Very high92.3Very high0 Ų066.5 Ų66.50%034%0.341CS..Hα-helixtrans-60.2-47.4177.400000111.9V515 L516 A541 T542 L547 L548 M549V515-A545 HydrophobicContact CB-CB 4.29Å; V515-A545 HydrophobicContact CG1-CB 4Å; L516-A545 HydrophobicContact CB-CB 4.18Å; L516-A545 HydrophobicContact CD1-CB 4.45Å; A541-A545 WeakPolarHBondContact O-CB 3.09Å; A541-A545 PolarHBondContact O-N 2.86Å; T542-A545 PolarHBondContact O-N 3.41Å; A545-L547 PolarHBondContact O-N 3.33Å; A545-L548 PolarHBondContact O-N 3.12Å; A545-M549 HydrophobicContact CB-CE 4.36Å; A545-M549 WeakPolarHBondContact O-CG 3.4Å; A545-M549 PolarHBondContact O-N 2.86Å
546L94.1Very high92.4Very high24 Ų2464.1 Ų64.113%0.12634%0.337CS..Hα-helixtrans-63.1-42.7178.1-71.8169.1000112.1Y488 I491 A492 L495 T542 W543 M549 V550Y488-L546 HydrophobicContact CD1-CD1 3.61Å; Y488-L546 HydrophobicContact CE1-CD1 4.33Å; I491-L546 HydrophobicContact CG2-CD2 4.26Å; A492-L546 HydrophobicContact CB-CD2 3.73Å; L495-L546 HydrophobicContact CD1-CD2 3.78Å; T542-L546 HydrophobicContact CG2-CD1 4.11Å; T542-L546 WeakPolarHBondContact O-CG 3.1Å; T542-L546 PolarHBondContact O-N 3.05Å; W543-L546 PolarHBondContact O-N 3.39Å; L546-M549 PolarHBondContact O-N 3.39Å; L546-V550 WeakPolarHBondContact O-CG2 3.45Å; L546-V550 PolarHBondContact O-N 3.26Å
547L94.5Very high92.5Very high110 Ų11058.1 Ų58.158%0.57632%0.32SS*.Hα-helixtrans-62.4-44.9177.7-171.574.7000111.2W543 C544 A545 M549 V550 L551W543-L547 WeakPolarHBondContact O-CB 3.29Å; W543-L547 PolarHBondContact O-N 2.89Å; C544-L547 PolarHBondContact O-N 3.14Å; A545-L547 PolarHBondContact O-N 3.33Å; L547-M549 VanDerWaalsContact C-N 3.33Å; L547-M549 PolarHBondContact O-N 3.47Å; L547-V550 PolarHBondContact O-N 3.42Å; L547-L551 HydrophobicContact CG-CD1 4.19Å; L547-L551 WeakPolarHBondContact O-CB 3.35Å; L547-L551 VanDerWaalsContact O-CG 3.29Å; L547-L551 WeakPolarHBondContact O-CG 3.46Å; L547-L551 PolarHBondContact O-N 3.49Å
548L92.8Very high92.5Very high88 Ų8858.2 Ų58.246%0.46132%0.315SS..Hα-helixtrans-60.5-42.8175.4-73.2170.7000111.7C544 A545 L551 A552C544-L548 WeakPolarHBondContact O-CB 3.47Å; C544-L548 VanDerWaalsContact O-CG 3.29Å; C544-L548 WeakPolarHBondContact O-CG 3.4Å; C544-L548 PolarHBondContact O-N 3.31Å; A545-L548 PolarHBondContact O-N 3.12Å; L548-L551 PolarHBondContact O-N 3.5Å; L548-A552 VanDerWaalsContact O-CB 3.3Å; L548-A552 WeakPolarHBondContact O-CB 3.5Å; L548-A552 PolarHBondContact O-N 3.34Å
549M93.9Very high92.5Very high0 Ų061.9 Ų61.90%034%0.335CS..Hα-helixtrans-66-37.3177-64166.9-173.800112.1A492 L495 M496 M499 C512 L516 A545 L546 L547 N553A492-M549 HydrophobicContact CB-CE 4.32Å; A492-M549 HydrophobicContact CB-SD 4.1Å; L495-M549 HydrophobicContact CB-CB 3.8Å; L495-M549 HydrophobicContact CB-SD 4.14Å; L495-M549 HydrophobicContact CD1-CB 4.19Å; M496-M549 HydrophobicContact CE-CE 4.29Å; M496-M549 HydrophobicContact CG-CE 3.61Å; M496-M549 HydrophobicContact CG-CG 4.39Å; M496-M549 HydrophobicContact CG-SD 3.85Å; M496-M549 HydrophobicContact SD-CE 3.75Å; M499-M549 HydrophobicContact SD-CB 3.77Å; M499-M549 HydrophobicContact SD-CG 3.68Å; C512-M549 HydrophobicContact CB-CE 3.51Å; C512-M549 HydrophobicContact CB-CG 3.77Å; C512-M549 WeakPolarHBondContact O-CE 3.32Å; L516-M549 HydrophobicContact CB-CE 4.4Å; A545-M549 HydrophobicContact CB-CE 4.36Å; A545-M549 WeakPolarHBondContact O-CG 3.4Å; A545-M549 PolarHBondContact O-N 2.86Å; L546-M549 PolarHBondContact O-N 3.39Å; L547-M549 VanDerWaalsContact C-N 3.33Å; L547-M549 PolarHBondContact O-N 3.47Å; M549-N553 WeakPolarHBondContact O-CB 3.22Å; M549-N553 PolarHBondContact O-N 2.92Å; M549-N553 PolarHBondContact O-ND2 3.36Å
550V92.6Very high92.5Very high63 Ų6363.3 Ų63.338%0.38234%0.344SS..Hα-helixtrans-65.5-47.7174.6169.30000110.4L495 L546 L547 A552 N553 L554L495-V550 HydrophobicContact CD1-CG2 3.88Å; L495-V550 HydrophobicContact CD2-CG2 3.98Å; L546-V550 WeakPolarHBondContact O-CG2 3.45Å; L546-V550 PolarHBondContact O-N 3.26Å; L547-V550 PolarHBondContact O-N 3.42Å; V550-A552 VanDerWaalsContact C-N 3.29Å; V550-A552 PolarHBondContact O-N 3.07Å; V550-N553 PolarHBondContact O-N 2.91Å; V550-L554 PolarHBondContact O-N 2.99Å
551L91.7Very high92.4Very high99 Ų9963.5 Ų63.552%0.51834%0.338SS..Hα-helixtrans-62.7-35.3178.9-70.5172.9000112.5L547 L548 N553 L554L547-L551 HydrophobicContact CG-CD1 4.19Å; L547-L551 WeakPolarHBondContact O-CB 3.35Å; L547-L551 VanDerWaalsContact O-CG 3.29Å; L547-L551 WeakPolarHBondContact O-CG 3.46Å; L547-L551 PolarHBondContact O-N 3.49Å; L548-L551 PolarHBondContact O-N 3.5Å; L551-N553 PolarHBondContact O-N 3.21Å; L551-L554 HydrophobicContact CD2-CD1 4.3Å
552A88.8Confident92.3Very high28 Ų2866.6 Ų66.623%0.23135%0.35CS..THydrogen-bonded Turntrans-75.5-9.2175.900000113.9M499 M508 L548 V550M499-A552 HydrophobicContact CE-CB 3.74Å; M499-A552 HydrophobicContact CG-CB 4.14Å; M499-A552 HydrophobicContact SD-CB 4.19Å; M508-A552 HydrophobicContact CE-CB 4.01Å; L548-A552 VanDerWaalsContact O-CB 3.3Å; L548-A552 WeakPolarHBondContact O-CB 3.5Å; L548-A552 PolarHBondContact O-N 3.34Å; V550-A552 VanDerWaalsContact C-N 3.29Å; V550-A552 PolarHBondContact O-N 3.07Å
553N87Confident92.1Very high34 Ų3472.2 Ų72.218%0.18238%0.379CS..THydrogen-bonded Turntrans-103.2-7.6176.9-84.1-55.3000113.7L495 F498 M499 N502 M549 V550 L551L495-N553 PolarHBondContact O-ND2 3.37Å; F498-N553 WeakPolarHBondContact CB-OD1 3.37Å; F498-N553 PolarHBondContact O-OD1 2.94Å; M499-N553 WeakPolarHBondContact CA-OD1 3.36Å; M499-N553 WeakPolarHBondContact CG-ND2 3.28Å; M499-N553 PolarHBondContact N-OD1 2.95Å; N502-N553 PolarHBondContact ND2-OD1 2.74Å; M549-N553 WeakPolarHBondContact O-CB 3.22Å; M549-N553 PolarHBondContact O-N 2.92Å; M549-N553 PolarHBondContact O-ND2 3.36Å; V550-N553 PolarHBondContact O-N 2.91Å; L551-N553 PolarHBondContact O-N 3.21Å
554L86.2Confident91.8Very high189 Ų18964.1 Ų64.199%0.9936%0.358SS*.  trans-82.90168-68.1172.7000109V550 L551V550-L554 PolarHBondContact O-N 2.99Å; L551-L554 HydrophobicContact CD2-CD1 4.3Å

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