A0A096MFI4_POEFO Loading...

Neural proliferation, differentiation and control, 1a

AlphaFold DB , UniProt , Accession A0A096MFI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 373 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
1M38.9Very low42.8Very low232 Ų232161.4 Ų161.4100%1.14388%0.881SS**  0132.70-82.1-63.3-170.300108.5
2L37.9Very low43.2Very low167 Ų167163.3 Ų163.387%0.87488%0.88SS**  trans33.1109.8162.9-56.1177.4000118.9
3L39.6Very low43.8Very low178 Ų178162.7 Ų162.793%0.93287%0.867SS**  trans-85.2149.4164-83.4165.6000111.5
4F43.3Very low44.5Very low199 Ų199167.6 Ų167.687%0.87387%0.868SS**  trans-69.2148.5170.2-71-106.3000111.8
5S32.8Very low44.7Very low124 Ų124162.3 Ų162.387%0.86786%0.859SS**  -171.3152.5115.7-84.30000113.2
6S41.9Very low45.1Very low115 Ų115157 Ų15780%0.80484%0.839SS**  trans-98.2177.7179.6-127.20000111.5
7P55.8Low45.4Very low118 Ų118153.9 Ų153.977%0.76682%0.82SS**  trans-80.4161.7-152.832.4-38.5000115.4
8R40.9Very low45.7Very low247 Ų247150.3 Ų150.393%0.93281%0.806SS**  trans-126.1112.1158-75.9-172.7171.6-174.2-2110.3
9C47.8Very low46Very low141 Ų141149.6 Ų149.695%0.95380%0.802SS**  trans-70130.4163.9-169.30000108.6
10G40.1Very low46.2Very low66 Ų66147.9 Ų147.968%0.6879%0.792SS**  trans-131.5108.7-167.400000112.9Q12G10-Q12 PolarHBondContact O-N 3Å
11H51.8Low46.5Very low188 Ų188146.5 Ų146.587%0.8778%0.784SS**  trans-72106.7-172-143.5-91.3000112.6
12Q48.2Very low47.3Very low184 Ų184138 Ų13886%0.8675%0.75SS**  trans-133.426.7170.3-75.4-150.97.300115.5G10 R14G10-Q12 PolarHBondContact O-N 3Å; Q12-R14 PolarHBondContact O-N 3.14Å; Q12-R14 VanDerWaalsContact O-N 3.13Å
13H50.8Low48.2Very low156 Ų156133.2 Ų133.272%0.72274%0.735SS**THydrogen-bonded Turntrans-82.182.3169.3-115.9-92.6000111.6
14R53.4Low49Very low232 Ų232127.5 Ų127.588%0.87571%0.713SS**THydrogen-bonded Turntrans-160.6-23.2162.2-120.9167.9-171.7172.32.8118.7Q12Q12-R14 PolarHBondContact O-N 3.14Å; Q12-R14 VanDerWaalsContact O-N 3.13Å
15A47.8Very low49.9Very low88 Ų88120.6 Ų120.673%0.72769%0.693SS**SBendtrans-82.3-33.3-172.900000115.1
16S51.2Low51.4Low77 Ų77120.3 Ų120.354%0.53868%0.681SS.*SBendtrans-84.6-14.8-167.1-39.10000115.4L19 L20S16-L19 PolarHBondContact O-N 3.26Å; S16-L20 WeakPolarHBondContact O-CD1 3.46Å; S16-L20 PolarHBondContact O-N 2.74Å
17M50.2Low52.5Low105 Ų105118.5 Ų118.552%0.51767%0.666SS.*Hα-helixtrans-60.7-46.9-172.9-80.9-67.1172.300115.8L19 L20 L21M17-L19 PolarHBondContact O-N 3.45Å; M17-L20 PolarHBondContact O-N 3.4Å; M17-L21 WeakPolarHBondContact O-CB 3.26Å; M17-L21 WeakPolarHBondContact O-CG 3.49Å; M17-L21 PolarHBondContact O-N 3.48Å
18P50.8Low53Low89 Ų89117.9 Ų117.958%0.57866%0.656SS**Hα-helixtrans-65.6-29.2-178.625.8-34.5000112.6A22P18-A22 WeakPolarHBondContact O-CB 3.28Å; P18-A22 PolarHBondContact O-N 2.88Å
19L50.2Low54.3Low137 Ų137111.1 Ų111.172%0.71764%0.638SS**Hα-helixtrans-78-39.4179.9-161.968.8000112S16 M17 A22 A23S16-L19 PolarHBondContact O-N 3.26Å; M17-L19 PolarHBondContact O-N 3.45Å; L19-A22 PolarHBondContact O-N 2.98Å; L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.2Å; L19-A23 PolarHBondContact O-N 2.98Å
20L50.9Low55.2Low115 Ų115109.6 Ų109.660%0.60262%0.618SS**Hα-helixtrans-64.9-39.6170.1-92.187.7000111.8S16 M17 A23 A24S16-L20 WeakPolarHBondContact O-CD1 3.46Å; S16-L20 PolarHBondContact O-N 2.74Å; M17-L20 PolarHBondContact O-N 3.4Å; L20-A23 PolarHBondContact O-N 3.07Å; L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.13Å
21L52.2Low56.3Low119 Ų119111.7 Ų111.762%0.62361%0.613SS**Hα-helixtrans-61-44.4175.6-83.8161.9000111.7M17 A24 A25M17-L21 WeakPolarHBondContact O-CB 3.26Å; M17-L21 WeakPolarHBondContact O-CG 3.49Å; M17-L21 PolarHBondContact O-N 3.48Å; L21-A24 PolarHBondContact O-N 3.36Å; L21-A25 WeakPolarHBondContact O-CB 3.24Å; L21-A25 PolarHBondContact O-N 3.21Å
22A55.3Low56.8Low52 Ų52108 Ų10843%0.4360%0.599SS.*Hα-helixtrans-64.7-43.3174.600000112.7P18 L19 A24 A25 L26P18-A22 WeakPolarHBondContact O-CB 3.28Å; P18-A22 PolarHBondContact O-N 2.88Å; L19-A22 PolarHBondContact O-N 2.98Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.97Å; A22-A25 PolarHBondContact O-N 2.75Å; A22-L26 PolarHBondContact O-N 3.05Å; A22-L26 VanDerWaalsContact O-N 3.17Å
23A57.5Low57.2Low68 Ų68103.9 Ų103.956%0.56259%0.589SS**Hα-helixtrans-68.8-24179.600000113.8L19 L20 P27L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.2Å; L19-A23 PolarHBondContact O-N 2.98Å; L20-A23 PolarHBondContact O-N 3.07Å; A23-P27 WeakPolarHBondContact O-CD 3.45Å; A23-P27 VanDerWaalsContact O-CG 3.27Å; A23-P27 WeakPolarHBondContact O-CG 3.28Å
24A56.8Low57.7Low57 Ų57101.8 Ų101.847%0.47158%0.576SS.*Hα-helixtrans-89.5-33171.700000112.7L20 L21 A22 P27 L28L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.13Å; L21-A24 PolarHBondContact O-N 3.36Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.97Å; A24-P27 WeakPolarHBondContact O-CD 3.43Å; A24-P27 WeakPolarHBondContact O-CG 3.3Å; A24-L28 WeakPolarHBondContact O-CB 3.36Å; A24-L28 PolarHBondContact O-N 3.13Å
25A60.9Low57.6Low54 Ų5494.9 Ų94.945%0.44656%0.559SS.*Hα-helixtrans-66.5-37178.900000112.6L21 A22 L28 L29L21-A25 WeakPolarHBondContact O-CB 3.24Å; L21-A25 PolarHBondContact O-N 3.21Å; A22-A25 PolarHBondContact O-N 2.75Å; A25-L28 PolarHBondContact O-N 3.38Å; A25-L29 WeakPolarHBondContact O-CB 3.26Å; A25-L29 PolarHBondContact O-N 2.83Å
26L65.2Low57.8Low119 Ų11995.3 Ų95.362%0.62355%0.554SS**Hα-helixtrans-60.2-55.8175.8-85.8163.5000113.5A22 L28 L29 M30A22-L26 PolarHBondContact O-N 3.05Å; A22-L26 VanDerWaalsContact O-N 3.17Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 3.31Å; L26-L29 PolarHBondContact O-N 3.49Å; L26-M30 WeakPolarHBondContact O-CB 3.4Å; L26-M30 WeakPolarHBondContact O-CG 3.49Å; L26-M30 PolarHBondContact O-N 3.39Å
27P65.1Low57.5Low77 Ų7797.2 Ų97.250%0.556%0.563SS.*Hα-helixtrans-66.8-31.317625.3-33.1000112.6A23 A24 L31A23-P27 WeakPolarHBondContact O-CD 3.45Å; A23-P27 VanDerWaalsContact O-CG 3.27Å; A23-P27 WeakPolarHBondContact O-CG 3.28Å; A24-P27 WeakPolarHBondContact O-CD 3.43Å; A24-P27 WeakPolarHBondContact O-CG 3.3Å; P27-L31 VanDerWaalsContact O-CB 3.25Å; P27-L31 WeakPolarHBondContact O-CB 3.42Å; P27-L31 PolarHBondContact O-N 3.26Å
28L66.4Low57.5Low104 Ų10497 Ų9755%0.54557%0.572SS.*Hα-helixtrans-67.4-40.4174.5-173.967.4000112.2A24 A25 L26 L31 L32A24-L28 WeakPolarHBondContact O-CB 3.36Å; A24-L28 PolarHBondContact O-N 3.13Å; A25-L28 PolarHBondContact O-N 3.38Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 3.31Å; L28-L31 PolarHBondContact O-N 2.96Å; L28-L32 HydrophobicContact CG-CD1 4.33Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 VanDerWaalsContact O-CG 3.31Å; L28-L32 WeakPolarHBondContact O-CG 3.43Å; L28-L32 PolarHBondContact O-N 3.48Å
29L67.4Low57Low105 Ų10596 Ų9655%0.5557%0.571SS.*Hα-helixtrans-66.4-44.5174.6-176.567.2000110.8A25 L26 L31 L32 C33A25-L29 WeakPolarHBondContact O-CB 3.26Å; A25-L29 PolarHBondContact O-N 2.83Å; L26-L29 PolarHBondContact O-N 3.49Å; L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 PolarHBondContact O-N 2.86Å; L29-L32 PolarHBondContact O-N 3.2Å; L29-C33 PolarHBondContact O-N 3.03Å; L29-C33 PolarHBondContact O-SG 2.93Å; L29-C33 VanDerWaalsContact O-SG 3.38Å
30M66.7Low57Low110 Ų11094.9 Ų94.954%0.54258%0.575SS.*Hα-helixtrans-60.9-38.8173.3-71.5-61.5-64.400111.7L26 C33 Y34L26-M30 WeakPolarHBondContact O-CB 3.4Å; L26-M30 WeakPolarHBondContact O-CG 3.49Å; L26-M30 PolarHBondContact O-N 3.39Å; M30-C33 CarbonylContact O-C 3.43Å; M30-C33 PolarHBondContact O-N 3.48Å; M30-Y34 WeakPolarHBondContact O-CB 3.44Å; M30-Y34 PolarHBondContact O-N 3.38Å
31L63.8Low56.6Low109 Ų10996.8 Ų96.857%0.57158%0.584SS**Hα-helixtrans-66.6-39.9174.8-164.576.2000111.8P27 L28 L29 C33 Y34 V35P27-L31 VanDerWaalsContact O-CB 3.25Å; P27-L31 WeakPolarHBondContact O-CB 3.42Å; P27-L31 PolarHBondContact O-N 3.26Å; L28-L31 PolarHBondContact O-N 2.96Å; L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 PolarHBondContact O-N 2.86Å; L31-C33 VanDerWaalsContact C-N 3.25Å; L31-C33 PolarHBondContact O-N 3.26Å; L31-Y34 PolarHBondContact O-N 3.33Å; L31-Y34 VanDerWaalsContact O-N 3.08Å; L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 2.95Å
32L61.2Low56.4Low112 Ų11296.8 Ų96.859%0.58659%0.591SS**Hα-helixtrans-65-27.3172.8-75.7163.5000112.8L28 L29L28-L32 HydrophobicContact CG-CD1 4.33Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 VanDerWaalsContact O-CG 3.31Å; L28-L32 WeakPolarHBondContact O-CG 3.43Å; L28-L32 PolarHBondContact O-N 3.48Å; L29-L32 PolarHBondContact O-N 3.2Å
33C57.4Low56.1Low96 Ų9698.7 Ų98.765%0.64961%0.607SS**Hα-helixtrans-83-21169.8-66.90000113.7L29 M30 L31L29-C33 PolarHBondContact O-N 3.03Å; L29-C33 PolarHBondContact O-SG 2.93Å; L29-C33 VanDerWaalsContact O-SG 3.38Å; M30-C33 CarbonylContact O-C 3.43Å; M30-C33 PolarHBondContact O-N 3.48Å; L31-C33 VanDerWaalsContact C-N 3.25Å; L31-C33 PolarHBondContact O-N 3.26Å
34Y61.1Low55.8Low113 Ų113103.7 Ų103.744%0.44362%0.619SS.*Hα-helixtrans-94.7-23.9-179.5-122-85.9000114.3M30 L31 P36 V214 T218M30-Y34 WeakPolarHBondContact O-CB 3.44Å; M30-Y34 PolarHBondContact O-N 3.38Å; L31-Y34 PolarHBondContact O-N 3.33Å; L31-Y34 VanDerWaalsContact O-N 3.08Å; Y34-P36 VanDerWaalsContact O-CD 3.23Å; Y34-P36 WeakPolarHBondContact O-CD 3.33Å; Y34-V214 HydrophobicContact CE1-CB 4.45Å; Y34-V214 HydrophobicContact CE1-CG1 3.68Å; Y34-V214 HydrophobicContact CE1-CG2 4.03Å; Y34-V214 WeakPolarHBondContact OH-CG1 3.49Å; Y34-T218 HydrophobicContact CE2-CG2 4.28Å
35V52.3Low56Low86 Ų86111.1 Ų111.152%0.52164%0.635SS.*SBendtrans-64.4113.4160.2171.60000106.1L31 V37L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 2.95Å; V35-V37 PolarHBondContact O-N 3.38Å; V35-V37 VanDerWaalsContact O-N 3.17Å
36P50.8Low56.7Low97 Ų97116.5 Ų116.563%0.6365%0.648SS**  trans-60.7126.8173.226.7-32.9000107.2Y34 S38Y34-P36 VanDerWaalsContact O-CD 3.23Å; Y34-P36 WeakPolarHBondContact O-CD 3.33Å; P36-S38 PolarHBondContact O-N 3.42Å
37V45.1Very low57.5Low117 Ų117113.4 Ų113.471%0.70964%0.635SS**  trans-75.169.9177.5-176.40000108.6V35 A39V35-V37 PolarHBondContact O-N 3.38Å; V35-V37 VanDerWaalsContact O-N 3.17Å; V37-A39 HydrophobicContact CG1-CB 3.81Å; V37-A39 PolarHBondContact O-N 3.31Å
38S50Low58.4Low102 Ų102111.6 Ų111.671%0.71362%0.624SS**  trans-74.128.2164.3-56.40000111.4P36 S40P36-S38 PolarHBondContact O-N 3.42Å; S38-S40 PolarHBondContact O-N 2.94Å
39A40.8Very low59.3Low67 Ų67112 Ų11255%0.55462%0.623SS**  trans-71.787.2157.600000106.8V37 L41V37-A39 HydrophobicContact CG1-CB 3.81Å; V37-A39 PolarHBondContact O-N 3.31Å; A39-L41 PolarHBondContact O-N 2.9Å
40S50.3Low60.1Low114 Ų114110 Ų11080%0.79762%0.616SS**  trans-54.2104.4168.2-57.90000108.2S38S38-S40 PolarHBondContact O-N 2.94Å
41L43.5Very low61.1Low154 Ų154110.1 Ų110.181%0.80662%0.617SS**  trans-56.3134.2179.1-87.879.8000108.4A39 A43A39-L41 PolarHBondContact O-N 2.9Å; L41-A43 PolarHBondContact O-N 3.44Å
42P46.3Very low62.3Low119 Ų119108.4 Ų108.477%0.77361%0.609SS**  trans-59.9116.4172.425.8-32.9000107.7H44P42-H44 PolarHBondContact O-N 3.37Å
43A49.8Very low63.6Low92 Ų92103 Ų10376%0.7658%0.581SS**  trans-57.6113.2-173.100000110L41 R45L41-A43 PolarHBondContact O-N 3.44Å; A43-R45 PolarHBondContact O-N 3.11Å; A43-R45 VanDerWaalsContact O-N 3.15Å
44H51Low65.1Low173 Ų173100.7 Ų100.780%0.80157%0.568SS**  trans-53.2124.4168.9-106.9-78.1000107.5P42 K46P42-H44 PolarHBondContact O-N 3.37Å; H44-K46 PolarHBondContact O-N 3.42Å
45R61Low66.4Low214 Ų214105.6 Ų105.681%0.80859%0.586SS**SBendtrans-69.873.9-173.6-66.4-169.1-175-99.97.1111.9A43A43-R45 PolarHBondContact O-N 3.11Å; A43-R45 VanDerWaalsContact O-N 3.15Å
46K75.8Confident68.2Low166 Ų166106.3 Ų106.372%0.72258%0.584SS**  trans-121.4140169.2-68.4-175.6176.7-1780107.1H44H44-K46 PolarHBondContact O-N 3.42Å
47C82.3Confident70.1Confident54 Ų54107.8 Ų107.837%0.36558%0.577SS.*PPolyproline II helixtrans-58.9125.3173.8-167.50000109.2C61C47-C61 WeakPolarHBondContact CA-SG 2.98Å; C47-C61 HydrophobicContact CB-CB 4.31Å; C47-C61 WeakPolarHBondContact CB-SG 3.34Å; C47-C61 WeakPolarHBondContact SG-CB 3.09Å; C47-C61 PolarHBondContact SG-O 3.18Å; C47-C61 VanDerWaalsContact SG-O 3.35Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 2.98Å
48P83.4Confident72.3Confident40 Ų40103.7 Ų103.726%0.2655%0.549SS..PPolyproline II helixtrans-61158.3176.125.1-34.7000111.1D52 C61P48-D52 HydrophobicContact CB-CB 4.39Å; P48-C61 HydrophobicContact CG-CB 4.21Å
49H85.8Confident74.2Confident113 Ų113103.2 Ų103.252%0.52354%0.535SS..PPolyproline II helixtrans-64.2144.5-175.2-164.7-113.5000109.9I51 D52 C53H49-I51 PolarHBondContact O-N 3.46Å; H49-D52 VanDerWaalsContact CB-OD2 3.26Å; H49-D52 WeakPolarHBondContact CB-OD2 3.41Å; H49-D52 PolarHBondContact N-OD2 3.5Å; H49-D52 VanDerWaalsContact N-OD2 3.13Å; H49-D52 WeakPolarHBondContact O-CB 3.5Å; H49-D52 PolarHBondContact O-N 3.31Å; H49-C53 PolarHBondContact O-N 3.38Å
50P84.7Confident76.6Confident61 Ų61105.6 Ų105.640%0.39653%0.534SS..Hα-helixtrans-51.2-35.6-178.4-32.138.1000113.9D52 C53 A54 H60P50-D52 VanDerWaalsContact C-N 3.33Å; P50-D52 PolarHBondContact O-N 2.95Å; P50-C53 PolarHBondContact O-N 2.91Å; P50-A54 WeakPolarHBondContact O-CB 3.45Å; P50-A54 PolarHBondContact O-N 3.18Å; P50-H60 PolarHBondContact O-CD2 3.31Å
51I86.1Confident78.5Confident113 Ų113101 Ų10158%0.57950%0.501SS*.Hα-helixtrans-63-35.3176.6-57.8177000112.2H49 A54 R55H49-I51 PolarHBondContact O-N 3.46Å; I51-A54 PolarHBondContact O-N 3.46Å; I51-R55 WeakPolarHBondContact O-CB 3.29Å; I51-R55 PolarHBondContact O-N 3.33Å
52D89.5Confident80.4Confident73 Ų73100.6 Ų100.639%0.3950%0.495SS..Hα-helixtrans-68.3-40179.6-58.8-43000111.2P48 H49 P50 Q56P48-D52 HydrophobicContact CB-CB 4.39Å; H49-D52 VanDerWaalsContact CB-OD2 3.26Å; H49-D52 WeakPolarHBondContact CB-OD2 3.41Å; H49-D52 PolarHBondContact N-OD2 3.5Å; H49-D52 VanDerWaalsContact N-OD2 3.13Å; H49-D52 WeakPolarHBondContact O-CB 3.5Å; H49-D52 PolarHBondContact O-N 3.31Å; P50-D52 VanDerWaalsContact C-N 3.33Å; P50-D52 PolarHBondContact O-N 2.95Å; D52-Q56 WeakPolarHBondContact O-CG 3.35Å; D52-Q56 PolarHBondContact O-N 2.89Å; D52-Q56 PolarHBondContact O-NE2 3.33Å
53C89.4Confident82.1Confident0 Ų099.3 Ų99.30%049%0.487CS..Hα-helixtrans-67.6-44.1172.9-59.60000111.4H49 P50 R55 Q56 R57 R58 C68H49-C53 PolarHBondContact O-N 3.38Å; P50-C53 PolarHBondContact O-N 2.91Å; C53-R55 VanDerWaalsContact C-N 3.31Å; C53-R55 PolarHBondContact O-N 3.34Å; C53-Q56 CarbonylContact O-C 3.44Å; C53-Q56 WeakPolarHBondContact O-CA 3.34Å; C53-Q56 WeakPolarHBondContact O-CB 3.32Å; C53-Q56 PolarHBondContact O-N 3.29Å; C53-R57 PolarHBondContact O-N 3.36Å; C53-R57 VanDerWaalsContact O-N 3.14Å; C53-R58 CarbonylContact C-O 3.48Å; C53-R58 HydrophobicContact CB-CB 4.36Å; C53-R58 PolarHBondContact O-N 3Å; C53-C68 WeakPolarHBondContact CA-SG 2.82Å; C53-C68 HydrophobicContact CB-CB 3.72Å; C53-C68 WeakPolarHBondContact CB-SG 3.21Å; C53-C68 VanDerWaalsContact SG-CA 3.56Å; C53-C68 WeakPolarHBondContact SG-CB 3.28Å; C53-C68 CovalentContact SG-SG 2.04Å; C53-C68 PolarHBondContact SG-SG 3.33Å
54A88.1Confident83.3Confident46 Ų46101.7 Ų101.738%0.3850%0.495SS..Hα-helixtrans-60.5-39.7176.700000112P50 I51 Q56 R57P50-A54 WeakPolarHBondContact O-CB 3.45Å; P50-A54 PolarHBondContact O-N 3.18Å; I51-A54 PolarHBondContact O-N 3.46Å; A54-Q56 VanDerWaalsContact C-N 3.28Å; A54-Q56 PolarHBondContact O-N 3.02Å; A54-R57 WeakPolarHBondContact O-CA 3.46Å; A54-R57 PolarHBondContact O-N 3.35Å
55R89.3Confident84.3Confident216 Ų21695.8 Ų95.882%0.81547%0.473SS*.Hα-helixtrans-61.8-34.3173.7-173.2178.8-177.3-174.11.6112.5I51 C53 R57I51-R55 WeakPolarHBondContact O-CB 3.29Å; I51-R55 PolarHBondContact O-N 3.33Å; C53-R55 VanDerWaalsContact C-N 3.31Å; C53-R55 PolarHBondContact O-N 3.34Å; R55-R57 PolarHBondContact O-N 3.03Å
56Q89.1Confident85.2Confident102 Ų10287.3 Ų87.348%0.47745%0.447SS..THydrogen-bonded Turntrans-80.21.6172.7-66166.655.400113.3D52 C53 A54 R58 C83D52-Q56 WeakPolarHBondContact O-CG 3.35Å; D52-Q56 PolarHBondContact O-N 2.89Å; D52-Q56 PolarHBondContact O-NE2 3.33Å; C53-Q56 CarbonylContact O-C 3.44Å; C53-Q56 WeakPolarHBondContact O-CA 3.34Å; C53-Q56 WeakPolarHBondContact O-CB 3.32Å; C53-Q56 PolarHBondContact O-N 3.29Å; A54-Q56 VanDerWaalsContact C-N 3.28Å; A54-Q56 PolarHBondContact O-N 3.02Å; Q56-R58 HydrophobicContact CB-CB 4.49Å; Q56-R58 HydrophobicContact CB-CG 4.2Å; Q56-R58 PolarHBondContact O-N 2.98Å; Q56-C83 WeakPolarHBondContact O-CB 3.34Å
57R90.2Very high85.7Confident127 Ų12786.3 Ų86.348%0.47945%0.445SS..THydrogen-bonded Turntrans59.131.9-174.1-45.6178.8-172.7-146.9-0.7113C53 A54 R55 C71 L72 F75 C83C53-R57 PolarHBondContact O-N 3.36Å; C53-R57 VanDerWaalsContact O-N 3.14Å; A54-R57 WeakPolarHBondContact O-CA 3.46Å; A54-R57 PolarHBondContact O-N 3.35Å; R55-R57 PolarHBondContact O-N 3.03Å; R57-C71 WeakPolarHBondContact O-CA 3.49Å; R57-L72 PolarHBondContact O-N 3.39Å; R57-F75 HydrophobicContact CB-CD2 3.92Å; R57-F75 HydrophobicContact CB-CE2 4.36Å; R57-F75 HydrophobicContact CB-CG 4.24Å; R57-F75 HydrophobicContact CG-CD2 4.49Å; R57-F75 VanDerWaalsContact NH1-CZ 3.3Å; R57-C83 HydrophobicContact CB-CB 3.86Å
58R91Very high86Confident32 Ų3284.9 Ų84.912%0.12144%0.435CS..BIsolated β-bridgetrans-107.1151.5179.7-72.4-177.6170.2-74.9-3.8111.6C53 Q56 C68 G69 S70 E77 G81 C83C53-R58 CarbonylContact C-O 3.48Å; C53-R58 HydrophobicContact CB-CB 4.36Å; C53-R58 PolarHBondContact O-N 3Å; Q56-R58 HydrophobicContact CB-CB 4.49Å; Q56-R58 HydrophobicContact CB-CG 4.2Å; Q56-R58 PolarHBondContact O-N 2.98Å; R58-C68 HydrophobicContact CB-CB 3.88Å; R58-C68 HydrophobicContact CG-CB 4.43Å; R58-G69 WeakPolarHBondContact CB-O 3.49Å; R58-G69 WeakPolarHBondContact CD-O 3.24Å; R58-G69 WeakPolarHBondContact CG-O 3.35Å; R58-G69 PolarHBondContact NH1-O 3.4Å; R58-S70 CarbonylContact C-O 3.6Å; R58-S70 WeakPolarHBondContact CA-O 3.13Å; R58-E77 IonicContact CZ-OE1 3.21Å; R58-E77 IonicContact NH1-OE1 2.73Å; R58-E77 PolarHBondContact NH1-OE1 3.43Å; R58-E77 IonicContact NH2-OE1 2.67Å; R58-E77 PolarHBondContact NH2-OE1 3.2Å; R58-G81 PolarHBondContact NH2-O 3.22Å; R58-C83 VanDerWaalsContact CG-SG 3.52Å
59H91.2Very high86.3Confident91 Ų9184.2 Ų84.242%0.42144%0.435SS..PPolyproline II helixtrans-57.6146.7166.7-78-85.3000110.4C61 G69 S70H59-C61 PolarHBondContact O-N 3.09Å; H59-G69 PolarHBondContact O-N 3.17Å; H59-S70 PolarHBondContact CD2-O 2.95Å; H59-S70 PolarHBondContact N-O 3.41Å
60H91.3Very high86.5Confident118 Ų11882.3 Ų82.355%0.54644%0.435SS..PPolyproline II helixtrans-55.8138.6176.5-52.6135.1000110.7P50P50-H60 PolarHBondContact O-CD2 3.31Å
61C90.3Very high86.9Confident16 Ų1680.3 Ų80.311%0.10842%0.422CS..PPolyproline II helixtrans-59.8146.2172.7152.50000110.4C47 P48 H59 S65 E67C47-C61 WeakPolarHBondContact CA-SG 2.98Å; C47-C61 HydrophobicContact CB-CB 4.31Å; C47-C61 WeakPolarHBondContact CB-SG 3.34Å; C47-C61 WeakPolarHBondContact SG-CB 3.09Å; C47-C61 PolarHBondContact SG-O 3.18Å; C47-C61 VanDerWaalsContact SG-O 3.35Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 2.98Å; P48-C61 HydrophobicContact CG-CB 4.21Å; H59-C61 PolarHBondContact O-N 3.09Å; C61-S65 PolarHBondContact SG-O 3.36Å; C61-S65 VanDerWaalsContact SG-O 3.34Å; C61-S65 PolarHBondContact SG-OG 2.98Å; C61-E67 VanDerWaalsContact CB-O 3.31Å; C61-E67 WeakPolarHBondContact CB-O 3.38Å
62H83.8Confident87.1Confident146 Ų14677.7 Ų77.768%0.67641%0.409SS*.  trans-133.6123.6-179-169.1-67.2000109.6S65H62-S65 PolarHBondContact N-OG 2.99Å; H62-S65 WeakPolarHBondContact O-CB 3.27Å; H62-S65 PolarHBondContact O-N 2.99Å; H62-S65 PolarHBondContact O-OG 2.96Å; H62-S65 VanDerWaalsContact O-OG 3.11Å
63P82Confident86.9Confident93 Ų9379.6 Ų79.660%0.60443%0.427SS*.THydrogen-bonded Turntrans-52133.8175.4-26.335000111.1
64P73.4Confident86.7Confident141 Ų14182.9 Ų82.992%0.91645%0.449SS*.THydrogen-bonded Turncis-91.712.414.537.3-37.7000116.2
65S72.9Confident86.6Confident50 Ų5082.8 Ų82.835%0.3544%0.44SS..  trans-66.5143.9177.281.90000111.7C61 H62 E67C61-S65 PolarHBondContact SG-O 3.36Å; C61-S65 VanDerWaalsContact SG-O 3.34Å; C61-S65 PolarHBondContact SG-OG 2.98Å; H62-S65 PolarHBondContact N-OG 2.99Å; H62-S65 WeakPolarHBondContact O-CB 3.27Å; H62-S65 PolarHBondContact O-N 2.99Å; H62-S65 PolarHBondContact O-OG 2.96Å; H62-S65 VanDerWaalsContact O-OG 3.11Å; S65-E67 PolarHBondContact OG-O 2.88Å
66S80.6Confident86.5Confident36 Ų3680.9 Ų80.925%0.25243%0.433SS..SBendtrans-98.35.5167.850.70000112.7
67E85.4Confident86.6Confident145 Ų14580.7 Ų80.768%0.67843%0.432SS*.SBendtrans-131.3151.8-171.6-71.2166.9-154.200109.9C61 S65C61-E67 VanDerWaalsContact CB-O 3.31Å; C61-E67 WeakPolarHBondContact CB-O 3.38Å; S65-E67 PolarHBondContact OG-O 2.88Å
68C88.9Confident86.3Confident23 Ų2376.2 Ų76.216%0.15542%0.418CS..  trans-61.3152.8174.1-65.20000111.6C53 R58C53-C68 WeakPolarHBondContact CA-SG 2.82Å; C53-C68 HydrophobicContact CB-CB 3.72Å; C53-C68 WeakPolarHBondContact CB-SG 3.21Å; C53-C68 VanDerWaalsContact SG-CA 3.56Å; C53-C68 WeakPolarHBondContact SG-CB 3.28Å; C53-C68 CovalentContact SG-SG 2.04Å; C53-C68 PolarHBondContact SG-SG 3.33Å; R58-C68 HydrophobicContact CB-CB 3.88Å; R58-C68 HydrophobicContact CG-CB 4.43Å
69G88.8Confident86Confident26 Ų2678.5 Ų78.527%0.26845%0.451SS..  trans-70-172.3179.500000113.8R58 H59R58-G69 WeakPolarHBondContact CB-O 3.49Å; R58-G69 WeakPolarHBondContact CD-O 3.24Å; R58-G69 WeakPolarHBondContact CG-O 3.35Å; R58-G69 PolarHBondContact NH1-O 3.4Å; H59-G69 PolarHBondContact O-N 3.17Å
70S90.8Very high85.5Confident74 Ų7480.3 Ų80.352%0.51746%0.46SS..SBendtrans-56.6165.3171.751.60000112.6R58 H59R58-S70 CarbonylContact C-O 3.6Å; R58-S70 WeakPolarHBondContact CA-O 3.13Å; H59-S70 PolarHBondContact CD2-O 2.95Å; H59-S70 PolarHBondContact N-O 3.41Å
71C92.6Very high85.1Confident18 Ų1876.6 Ų76.612%0.12245%0.453CS..BIsolated β-bridgetrans-58.9138.8172.6-60.10000112.5R57 F75 E77 C83R57-C71 WeakPolarHBondContact O-CA 3.49Å; C71-F75 HydrophobicContact CB-CB 4.08Å; C71-E77 WeakPolarHBondContact SG-CG 3.47Å; C71-C83 WeakPolarHBondContact CA-SG 3.17Å; C71-C83 HydrophobicContact CB-CB 3.77Å; C71-C83 WeakPolarHBondContact CB-SG 3.16Å; C71-C83 WeakPolarHBondContact SG-CA 3.29Å; C71-C83 WeakPolarHBondContact SG-CB 3.38Å; C71-C83 CovalentContact SG-SG 2.03Å; C71-C83 PolarHBondContact SG-SG 3.46Å
72L90.4Very high85Confident59 Ų5982.7 Ų82.731%0.30947%0.474SS..PPolyproline II helixtrans-62.8140.2167.1-64.1166.4000109.1R57 F75R57-L72 PolarHBondContact O-N 3.39Å; L72-F75 WeakPolarHBondContact O-CA 3.44Å; L72-F75 VanDerWaalsContact O-CB 3.3Å; L72-F75 WeakPolarHBondContact O-CB 3.43Å; L72-F75 WeakPolarHBondContact O-CD2 3.12Å; L72-F75 PolarHBondContact O-N 3.3Å
73S85.1Confident85.3Confident112 Ų11276.4 Ų76.478%0.78345%0.446SS*.THydrogen-bonded Turntrans-61137.7165.7-173.20000109.6
74P85.3Confident85.6Confident69 Ų6975.1 Ų75.145%0.44844%0.436SS..THydrogen-bonded Turncis-95.524.88.738.2-37.7000115.3L85 K86P74-L85 HydrophobicContact CB-CD1 4.14Å; P74-L85 HydrophobicContact CG-CD1 3.61Å; P74-K86 WeakPolarHBondContact O-CB 3.5Å; P74-K86 PolarHBondContact O-N 2.96Å; P74-K86 VanDerWaalsContact O-N 3.12Å
75F86.9Confident86.3Confident45 Ų4571.5 Ų71.520%0.19741%0.409CS..EExtended strand (participates in β ladder)trans-87.3155.6-179-52.4-75.4000112.6R57 C71 L72 C83 V84 L85R57-F75 HydrophobicContact CB-CD2 3.92Å; R57-F75 HydrophobicContact CB-CE2 4.36Å; R57-F75 HydrophobicContact CB-CG 4.24Å; R57-F75 HydrophobicContact CG-CD2 4.49Å; R57-F75 VanDerWaalsContact NH1-CZ 3.3Å; C71-F75 HydrophobicContact CB-CB 4.08Å; L72-F75 WeakPolarHBondContact O-CA 3.44Å; L72-F75 VanDerWaalsContact O-CB 3.3Å; L72-F75 WeakPolarHBondContact O-CB 3.43Å; L72-F75 WeakPolarHBondContact O-CD2 3.12Å; L72-F75 PolarHBondContact O-N 3.3Å; F75-C83 HydrophobicContact CB-CB 3.93Å; F75-V84 CarbonylContact C-O 3.53Å; F75-V84 WeakPolarHBondContact CA-O 2.97Å; F75-V84 WeakPolarHBondContact CB-O 3.25Å; F75-L85 HydrophobicContact CD1-CB 4.07Å; F75-L85 HydrophobicContact CD1-CD1 4.07Å; F75-L85 HydrophobicContact CE1-CB 3.98Å; F75-L85 HydrophobicContact CE1-CD1 3.72Å; F75-L85 HydrophobicContact CE1-CG 4.32Å; F75-L85 HydrophobicContact CZ-CD1 4.38Å
76R87Confident86.4Confident176 Ų17673.7 Ų73.766%0.66441%0.412SS*.EExtended strand (participates in β ladder)trans-134.9150.2175.7-175.9179.1-179.9167.14.6108.9C83 V84R76-C83 CarbonylContact O-C 3.53Å; R76-V84 PolarHBondContact N-O 3.48Å; R76-V84 WeakPolarHBondContact O-CG2 3.35Å; R76-V84 PolarHBondContact O-N 3.39Å
77E90.3Very high85.7Confident98 Ų9875 Ų7546%0.45842%0.418SS..EExtended strand (participates in β ladder)trans-67.4130.4173.1-60.9178.4149.500110.8R58 C71 R82R58-E77 IonicContact CZ-OE1 3.21Å; R58-E77 IonicContact NH1-OE1 2.73Å; R58-E77 PolarHBondContact NH1-OE1 3.43Å; R58-E77 IonicContact NH2-OE1 2.67Å; R58-E77 PolarHBondContact NH2-OE1 3.2Å; C71-E77 WeakPolarHBondContact SG-CG 3.47Å; E77-R82 CarbonylContact C-O 3.57Å; E77-R82 WeakPolarHBondContact CA-O 3.48Å
78D84.8Confident84.4Confident33 Ų3372.7 Ų72.718%0.17641%0.408CS..  trans-80.2-179.3164.663.612.9000111.5E80 G81 R82 V84D78-E80 WeakPolarHBondContact CB-OE2 3.3Å; D78-E80 PolarHBondContact O-N 3.12Å; D78-E80 VanDerWaalsContact O-N 3.17Å; D78-E80 VanDerWaalsContact OD1-C 3.28Å; D78-E80 WeakPolarHBondContact OD1-CA 3.4Å; D78-E80 PolarHBondContact OD1-N 3.2Å; D78-E80 VanDerWaalsContact OD1-N 3.08Å; D78-G81 PolarHBondContact O-N 3.03Å; D78-G81 PolarHBondContact OD1-N 2.72Å; D78-R82 PolarHBondContact N-O 2.89Å; D78-R82 PolarHBondContact OD1-N 2.88Å; D78-R82 IonicContact OD1-NE 2.95Å; D78-R82 IonicContact OD2-CZ 3.73Å; D78-R82 IonicContact OD2-NE 2.75Å; D78-R82 PolarHBondContact OD2-NE 3.06Å; D78-R82 IonicContact OD2-NH2 3.03Å; D78-R82 PolarHBondContact OD2-NH2 3.13Å; D78-V84 HydrophobicContact CB-CG1 4.08Å; D78-V84 HydrophobicContact CB-CG2 3.93Å; D78-V84 WeakPolarHBondContact OD2-CG1 3.26Å
79G83.8Confident82.5Confident80 Ų8078 Ų7883%0.82543%0.43SS*.THydrogen-bonded Turntrans-65.5-14.2178.300000113.5
80E81.4Confident80.5Confident129 Ų12984.8 Ų84.860%0.60345%0.452SS*.THydrogen-bonded Turntrans-101.95.8-178.3-55.572.4-146.600112.3D78 R82D78-E80 WeakPolarHBondContact CB-OE2 3.3Å; D78-E80 PolarHBondContact O-N 3.12Å; D78-E80 VanDerWaalsContact O-N 3.17Å; D78-E80 VanDerWaalsContact OD1-C 3.28Å; D78-E80 WeakPolarHBondContact OD1-CA 3.4Å; D78-E80 PolarHBondContact OD1-N 3.2Å; D78-E80 VanDerWaalsContact OD1-N 3.08Å; E80-R82 IonicContact OE2-CZ 2.78Å; E80-R82 IonicContact OE2-NH2 3.21Å; E80-R82 PolarHBondContact OE2-NH2 2.91Å
81G83.3Confident78.3Confident39 Ų3989.4 Ų89.440%0.40247%0.471SS..SBendtrans77.815.9176.400000115.3R58 D78R58-G81 PolarHBondContact NH2-O 3.22Å; D78-G81 PolarHBondContact O-N 3.03Å; D78-G81 PolarHBondContact OD1-N 2.72Å
82R87.6Confident76.4Confident145 Ų14592.6 Ų92.655%0.54751%0.507SS..  trans-100.1146.2-179.9-51.2171.1-63.5-142.9-7.8111E77 D78 E80 V84E77-R82 CarbonylContact C-O 3.57Å; E77-R82 WeakPolarHBondContact CA-O 3.48Å; D78-R82 PolarHBondContact N-O 2.89Å; D78-R82 PolarHBondContact OD1-N 2.88Å; D78-R82 IonicContact OD1-NE 2.95Å; D78-R82 IonicContact OD2-CZ 3.73Å; D78-R82 IonicContact OD2-NE 2.75Å; D78-R82 PolarHBondContact OD2-NE 3.06Å; D78-R82 IonicContact OD2-NH2 3.03Å; D78-R82 PolarHBondContact OD2-NH2 3.13Å; E80-R82 IonicContact OE2-CZ 2.78Å; E80-R82 IonicContact OE2-NH2 3.21Å; E80-R82 PolarHBondContact OE2-NH2 2.91Å; R82-V84 PolarHBondContact O-N 3.08Å; R82-V84 VanDerWaalsContact O-N 3.11Å
83C90.3Very high74Confident13 Ų1397 Ų979%0.08852%0.524CS..EExtended strand (participates in β ladder)trans-82.687.8-179.7-65.70000112.4Q56 R57 R58 C71 F75 R76Q56-C83 WeakPolarHBondContact O-CB 3.34Å; R57-C83 HydrophobicContact CB-CB 3.86Å; R58-C83 VanDerWaalsContact CG-SG 3.52Å; C71-C83 WeakPolarHBondContact CA-SG 3.17Å; C71-C83 HydrophobicContact CB-CB 3.77Å; C71-C83 WeakPolarHBondContact CB-SG 3.16Å; C71-C83 WeakPolarHBondContact SG-CA 3.29Å; C71-C83 WeakPolarHBondContact SG-CB 3.38Å; C71-C83 CovalentContact SG-SG 2.03Å; C71-C83 PolarHBondContact SG-SG 3.46Å; F75-C83 HydrophobicContact CB-CB 3.93Å; R76-C83 CarbonylContact O-C 3.53Å
84V89.3Confident72.1Confident66 Ų6695.8 Ų95.840%0.451%0.511SS..EExtended strand (participates in β ladder)trans-88.1157176.9-610000111.9F75 R76 D78 R82F75-V84 CarbonylContact C-O 3.53Å; F75-V84 WeakPolarHBondContact CA-O 2.97Å; F75-V84 WeakPolarHBondContact CB-O 3.25Å; R76-V84 PolarHBondContact N-O 3.48Å; R76-V84 WeakPolarHBondContact O-CG2 3.35Å; R76-V84 PolarHBondContact O-N 3.39Å; D78-V84 HydrophobicContact CB-CG1 4.08Å; D78-V84 HydrophobicContact CB-CG2 3.93Å; D78-V84 WeakPolarHBondContact OD2-CG1 3.26Å; R82-V84 PolarHBondContact O-N 3.08Å; R82-V84 VanDerWaalsContact O-N 3.11Å
85L86.3Confident70.3Confident65 Ų6598.6 Ų98.634%0.3451%0.513SS..EExtended strand (participates in β ladder)trans-73.2129.6-175.9-17449.9000111.1P74 F75 T87 F97P74-L85 HydrophobicContact CB-CD1 4.14Å; P74-L85 HydrophobicContact CG-CD1 3.61Å; F75-L85 HydrophobicContact CD1-CB 4.07Å; F75-L85 HydrophobicContact CD1-CD1 4.07Å; F75-L85 HydrophobicContact CE1-CB 3.98Å; F75-L85 HydrophobicContact CE1-CD1 3.72Å; F75-L85 HydrophobicContact CE1-CG 4.32Å; F75-L85 HydrophobicContact CZ-CD1 4.38Å; L85-T87 PolarHBondContact O-N 3.39Å; L85-F97 HydrophobicContact CD2-CB 3.74Å
86K75.5Confident68.5Low96 Ų96101.6 Ų101.642%0.41753%0.53SS..  trans-73.793.7-175.1-174.4-173.6175.9-160.40111.7P74 H88P74-K86 WeakPolarHBondContact O-CB 3.5Å; P74-K86 PolarHBondContact O-N 2.96Å; P74-K86 VanDerWaalsContact O-N 3.12Å; K86-H88 WeakPolarHBondContact CD-NE2 3.31Å; K86-H88 WeakPolarHBondContact CE-NE2 3.15Å; K86-H88 PolarHBondContact NZ-NE2 2.86Å; K86-H88 PolarHBondContact O-CD2 3.12Å; K86-H88 PolarHBondContact O-N 3.45Å
87T65.3Low66.7Low63 Ų6399.6 Ų99.639%0.38753%0.526SS..  trans-60.4106174.2-240000110.6L85 H89 V94L85-T87 PolarHBondContact O-N 3.39Å; T87-H89 PolarHBondContact O-N 3.34Å; T87-H89 VanDerWaalsContact O-N 3.08Å; T87-V94 HydrophobicContact CG2-CG1 3.71Å
88H58Low64.7Low98 Ų98100.8 Ų100.845%0.45454%0.54SS..  trans-83.485.4-177.9-100.3-91.2000110.7K86 K90K86-H88 WeakPolarHBondContact CD-NE2 3.31Å; K86-H88 WeakPolarHBondContact CE-NE2 3.15Å; K86-H88 PolarHBondContact NZ-NE2 2.86Å; K86-H88 PolarHBondContact O-CD2 3.12Å; K86-H88 PolarHBondContact O-N 3.45Å; H88-K90 PolarHBondContact O-N 2.84Å
89H49.9Very low62.7Low135 Ų135102.6 Ų102.663%0.62555%0.55SS*.  trans-64.791.5171.4-66.2-85.1000111.2T87T87-H89 PolarHBondContact O-N 3.34Å; T87-H89 VanDerWaalsContact O-N 3.08Å
90K47.5Very low61.3Low168 Ų168105 Ų10573%0.7354%0.543SS*.BIsolated β-bridgetrans-99.5118.7160.1-77-175.5173.8-179.60108.5H88 G92H88-K90 PolarHBondContact O-N 2.84Å; K90-G92 PolarHBondContact O-N 3.46Å
91N44.9Very low59.8Low171 Ų171104.4 Ų104.491%0.91454%0.544SS*.THydrogen-bonded Turntrans39.765.1167-61.624.6000115.7K93N91-K93 PolarHBondContact O-N 3.4Å
92G50.9Low58.6Low85 Ų85105.6 Ų105.688%0.87654%0.539SS*.THydrogen-bonded Turntrans85.1-12159.900000117.9K90K90-G92 PolarHBondContact O-N 3.46Å
93K41.6Very low57.3Low152 Ų152103.7 Ų103.766%0.66154%0.536SS*.BIsolated β-bridgetrans-106121.9172.5-153.9178.4-174.8-170.20110.7N91 R95N91-K93 PolarHBondContact O-N 3.4Å; K93-R95 PolarHBondContact O-N 3.17Å; K93-R95 VanDerWaalsContact O-N 3.15Å
94V45.3Very low56Low85 Ų85107 Ų10752%0.51555%0.553SS.*  trans-81.591.1177.1-1700000109T87 I96T87-V94 HydrophobicContact CG2-CG1 3.71Å; V94-I96 HydrophobicContact CG1-CG1 4.12Å; V94-I96 PolarHBondContact O-N 3.04Å; V94-I96 VanDerWaalsContact O-N 3.1Å
95R47.3Very low54.5Low128 Ų128109.9 Ų109.948%0.48357%0.565SS.*  trans-76.492.9165-76.4-167.4176.5172.36.6109.3K93 E102K93-R95 PolarHBondContact O-N 3.17Å; K93-R95 VanDerWaalsContact O-N 3.15Å; R95-E102 VanDerWaalsContact CD-OE2 3.27Å; R95-E102 WeakPolarHBondContact CD-OE2 3.45Å; R95-E102 IonicContact CZ-OE1 2.89Å; R95-E102 IonicContact CZ-OE2 2.79Å; R95-E102 IonicContact NE-OE1 2.99Å; R95-E102 PolarHBondContact NE-OE1 3.4Å; R95-E102 IonicContact NE-OE2 2.91Å; R95-E102 PolarHBondContact NE-OE2 2.81Å; R95-E102 IonicContact NH1-OE1 3.65Å; R95-E102 IonicContact NH1-OE2 2.82Å; R95-E102 PolarHBondContact NH1-OE2 3.38Å; R95-E102 VanDerWaalsContact NH2-CD 3.27Å; R95-E102 IonicContact NH2-OE1 2.64Å; R95-E102 PolarHBondContact NH2-OE1 2.89Å; R95-E102 IonicContact NH2-OE2 3.34Å; R95-E102 PolarHBondContact NH2-OE2 3.47Å
96I47.3Very low53.7Low108 Ų108113 Ų11355%0.55458%0.577SS**  trans-67.6129.9152.8-54.6179.5000105.7V94 T98V94-I96 HydrophobicContact CG1-CG1 4.12Å; V94-I96 PolarHBondContact O-N 3.04Å; V94-I96 VanDerWaalsContact O-N 3.1Å; I96-T98 HydrophobicContact CG2-CG2 3.91Å; I96-T98 PolarHBondContact O-N 3.21Å
97F50.3Low53.4Low135 Ų135112.5 Ų112.559%0.59258%0.578SS**SBendtrans-75.476.1173.3-89.9-91.4000109.6L85L85-F97 HydrophobicContact CD2-CB 3.74Å
98T48.4Very low53.3Low122 Ų122115.3 Ų115.375%0.74859%0.586SS**  trans-138.147.1170.150.60000108.2I96I96-T98 HydrophobicContact CG2-CG2 3.91Å; I96-T98 PolarHBondContact O-N 3.21Å
99D43.3Very low53.9Low72 Ų72113 Ų11339%0.38558%0.581SS.*  trans-143.795.2-178.4-164.4-20000107D101D99-D101 PolarHBondContact OD1-N 2.92Å
100L54.6Low54.9Low129 Ų129110.3 Ų110.368%0.67557%0.571SS**SBendtrans-75.8-19.3-179.4-75.8163.2000111.2E103 I104L100-E103 PolarHBondContact O-N 3.23Å; L100-I104 WeakPolarHBondContact O-CG1 3.43Å; L100-I104 PolarHBondContact O-N 3.35Å; L100-I104 VanDerWaalsContact O-N 3.08Å
101D49Very low55.9Low117 Ų117106.6 Ų106.663%0.62656%0.558SS**Hα-helixtrans-75-35-176.6-57.5-28.1000110.7D99 E103 I104 D105D99-D101 PolarHBondContact OD1-N 2.92Å; D101-E103 VanDerWaalsContact C-N 3.27Å; D101-E103 PolarHBondContact O-N 2.87Å; D101-I104 PolarHBondContact O-N 3.48Å; D101-D105 PolarHBondContact O-N 2.93Å
102E57.9Low56.9Low65 Ų65104.7 Ų104.730%0.30454%0.544SS..Hα-helixtrans-66.7-23.7170.3-70.2-168.4167.400113.6R95 F106R95-E102 VanDerWaalsContact CD-OE2 3.27Å; R95-E102 WeakPolarHBondContact CD-OE2 3.45Å; R95-E102 IonicContact CZ-OE1 2.89Å; R95-E102 IonicContact CZ-OE2 2.79Å; R95-E102 IonicContact NE-OE1 2.99Å; R95-E102 PolarHBondContact NE-OE1 3.4Å; R95-E102 IonicContact NE-OE2 2.91Å; R95-E102 PolarHBondContact NE-OE2 2.81Å; R95-E102 IonicContact NH1-OE1 3.65Å; R95-E102 IonicContact NH1-OE2 2.82Å; R95-E102 PolarHBondContact NH1-OE2 3.38Å; R95-E102 VanDerWaalsContact NH2-CD 3.27Å; R95-E102 IonicContact NH2-OE1 2.64Å; R95-E102 PolarHBondContact NH2-OE1 2.89Å; R95-E102 IonicContact NH2-OE2 3.34Å; R95-E102 PolarHBondContact NH2-OE2 3.47Å; E102-F106 PolarHBondContact O-N 3.27Å
103E60.9Low57.4Low104 Ų104107.5 Ų107.549%0.48653%0.532SS..Hα-helixtrans-82.4-33.1174.6-171.1163.1-164.300111.8L100 D101 F106 L107L100-E103 PolarHBondContact O-N 3.23Å; D101-E103 VanDerWaalsContact C-N 3.27Å; D101-E103 PolarHBondContact O-N 2.87Å; E103-F106 PolarHBondContact O-N 2.86Å; E103-L107 HydrophobicContact CG-CD1 4.21Å; E103-L107 WeakPolarHBondContact O-CB 3.42Å; E103-L107 VanDerWaalsContact O-CG 3.31Å; E103-L107 WeakPolarHBondContact O-CG 3.39Å; E103-L107 PolarHBondContact O-N 2.85Å
104I62.4Low58.1Low84 Ų84105.6 Ų105.643%0.43153%0.525SS..Hα-helixtrans-61-48.2172.5-69.9165.6000110.8L100 D101 F106 L107 H108L100-I104 WeakPolarHBondContact O-CG1 3.43Å; L100-I104 PolarHBondContact O-N 3.35Å; L100-I104 VanDerWaalsContact O-N 3.08Å; D101-I104 PolarHBondContact O-N 3.48Å; I104-F106 VanDerWaalsContact C-N 3.29Å; I104-F106 PolarHBondContact O-N 2.89Å; I104-L107 PolarHBondContact O-N 3.43Å; I104-H108 WeakPolarHBondContact O-CB 3.25Å; I104-H108 PolarHBondContact O-CD2 3.43Å; I104-H108 PolarHBondContact O-N 3.27Å
105D58.5Low58.6Low125 Ų125107 Ų10767%0.66853%0.526SS*.Hα-helixtrans-61.2-36.6176.4-101.84.6000112.4D101 S109D101-D105 PolarHBondContact O-N 2.93Å; D105-S109 WeakPolarHBondContact O-CB 3.46Å; D105-S109 PolarHBondContact O-N 3.01Å
106F69.1Low59Low131 Ų131104.2 Ų104.258%0.57552%0.523SS*.Hα-helixtrans-68.6-41.1176.1-178.4-112.9000112.3E102 E103 I104 S109 I110E102-F106 PolarHBondContact O-N 3.27Å; E103-F106 PolarHBondContact O-N 2.86Å; I104-F106 VanDerWaalsContact C-N 3.29Å; I104-F106 PolarHBondContact O-N 2.89Å; F106-S109 PolarHBondContact O-N 3.02Å; F106-I110 HydrophobicContact CD1-CD1 3.96Å; F106-I110 HydrophobicContact CE1-CD1 3.49Å; F106-I110 VanDerWaalsContact CE1-CD1 3.49Å; F106-I110 HydrophobicContact CE2-CD1 4.16Å; F106-I110 HydrophobicContact CG-CD1 4.48Å; F106-I110 HydrophobicContact CZ-CD1 3.62Å; F106-I110 WeakPolarHBondContact O-CG1 3.32Å; F106-I110 PolarHBondContact O-N 3.27Å
107L69.3Low59.2Low86 Ų86101.9 Ų101.945%0.4552%0.517SS..Hα-helixtrans-65.2-44.7174.6-73166.4000111.3E103 I104 S109 I110 I111E103-L107 HydrophobicContact CG-CD1 4.21Å; E103-L107 WeakPolarHBondContact O-CB 3.42Å; E103-L107 VanDerWaalsContact O-CG 3.31Å; E103-L107 WeakPolarHBondContact O-CG 3.39Å; E103-L107 PolarHBondContact O-N 2.85Å; I104-L107 PolarHBondContact O-N 3.43Å; L107-S109 PolarHBondContact O-N 2.98Å; L107-I110 PolarHBondContact O-N 3.19Å; L107-I110 VanDerWaalsContact O-N 3.16Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 2.85Å
108H63.4Low59.2Low121 Ų121101.5 Ų101.556%0.5651%0.514SS*.Hα-helixtrans-59.2-44.5173.2-88.7-105.1000111.8I104 I110 I111 E112I104-H108 WeakPolarHBondContact O-CB 3.25Å; I104-H108 PolarHBondContact O-CD2 3.43Å; I104-H108 PolarHBondContact O-N 3.27Å; H108-I110 VanDerWaalsContact C-N 3.28Å; H108-I110 PolarHBondContact O-N 2.83Å; H108-I111 PolarHBondContact O-N 2.85Å; H108-E112 WeakPolarHBondContact O-CB 3.26Å; H108-E112 PolarHBondContact O-N 3.34Å
109S70.9Confident59.3Low50 Ų50101.6 Ų101.635%0.3551%0.509SS..Hα-helixtrans-63.9-29.9176.1-168.80000113.4D105 F106 L107 K113D105-S109 WeakPolarHBondContact O-CB 3.46Å; D105-S109 PolarHBondContact O-N 3.01Å; F106-S109 PolarHBondContact O-N 3.02Å; L107-S109 PolarHBondContact O-N 2.98Å; S109-K113 VanDerWaalsContact O-CB 3.3Å; S109-K113 WeakPolarHBondContact O-CB 3.41Å; S109-K113 WeakPolarHBondContact O-CG 3.34Å; S109-K113 PolarHBondContact O-N 2.87Å; S109-K113 VanDerWaalsContact O-N 3.13Å
110I69.9Low59.3Low79 Ų79105.5 Ų105.541%0.40552%0.523SS..Hα-helixtrans-73.8-43172.7-74.8172.3000111.4F106 L107 H108 K113 Q114F106-I110 HydrophobicContact CD1-CD1 3.96Å; F106-I110 HydrophobicContact CE1-CD1 3.49Å; F106-I110 VanDerWaalsContact CE1-CD1 3.49Å; F106-I110 HydrophobicContact CE2-CD1 4.16Å; F106-I110 HydrophobicContact CG-CD1 4.48Å; F106-I110 HydrophobicContact CZ-CD1 3.62Å; F106-I110 WeakPolarHBondContact O-CG1 3.32Å; F106-I110 PolarHBondContact O-N 3.27Å; L107-I110 PolarHBondContact O-N 3.19Å; L107-I110 VanDerWaalsContact O-N 3.16Å; H108-I110 VanDerWaalsContact C-N 3.28Å; H108-I110 PolarHBondContact O-N 2.83Å; I110-K113 PolarHBondContact O-N 2.93Å; I110-Q114 WeakPolarHBondContact O-CB 3.38Å; I110-Q114 PolarHBondContact O-N 2.67Å
111I68.2Low58.6Low90 Ų90104.8 Ų104.846%0.46252%0.524SS..Hα-helixtrans-61.8-51.1177.5-68.3162.3000109.8L107 H108 K113 Q114 E115L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 2.85Å; H108-I111 PolarHBondContact O-N 2.85Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.36Å; I111-Q114 WeakPolarHBondContact O-CA 3.28Å; I111-Q114 WeakPolarHBondContact O-CB 3.28Å; I111-Q114 PolarHBondContact O-N 3.17Å; I111-E115 PolarHBondContact O-N 3.41Å
112E65.8Low58.1Low130 Ų130105.1 Ų105.161%0.60753%0.53SS*.Hα-helixtrans-58.6-42176.7-171.5-176-15000111.6H108 Q114 E115 V116H108-E112 WeakPolarHBondContact O-CB 3.26Å; H108-E112 PolarHBondContact O-N 3.34Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.05Å; E112-E115 PolarHBondContact O-N 3.45Å; E112-V116 WeakPolarHBondContact O-CB 3.23Å; E112-V116 VanDerWaalsContact O-CG2 3.31Å; E112-V116 WeakPolarHBondContact O-CG2 3.4Å; E112-V116 PolarHBondContact O-N 3.46Å
113K62.2Low57.1Low145 Ų145110.6 Ų110.663%0.6355%0.553SS**Hα-helixtrans-63-34.7171.6-91.4177.4174.3166.20113.6S109 I110 I111 S117S109-K113 VanDerWaalsContact O-CB 3.3Å; S109-K113 WeakPolarHBondContact O-CB 3.41Å; S109-K113 WeakPolarHBondContact O-CG 3.34Å; S109-K113 PolarHBondContact O-N 2.87Å; S109-K113 VanDerWaalsContact O-N 3.13Å; I110-K113 PolarHBondContact O-N 2.93Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.36Å; K113-S117 WeakPolarHBondContact O-CB 3.44Å; K113-S117 PolarHBondContact O-N 3.33Å; K113-S117 PolarHBondContact O-OG 2.95Å
114Q56.9Low56Low111 Ų111112.7 Ų112.752%0.51957%0.567SS.*Hα-helixtrans-73.5-32.9179-160.1-175.96900111.4I110 I111 E112 S117 K118I110-Q114 WeakPolarHBondContact O-CB 3.38Å; I110-Q114 PolarHBondContact O-N 2.67Å; I111-Q114 WeakPolarHBondContact O-CA 3.28Å; I111-Q114 WeakPolarHBondContact O-CB 3.28Å; I111-Q114 PolarHBondContact O-N 3.17Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.05Å; Q114-S117 PolarHBondContact O-OG 2.8Å; Q114-K118 WeakPolarHBondContact O-CG 3.46Å; Q114-K118 PolarHBondContact O-N 2.86Å
115E55.8Low54.5Low115 Ų115117.6 Ų117.654%0.53759%0.589SS.*Hα-helixtrans-70.6-46.9171.3-66.7-172.216900111.6I111 E112 S117 K118 I119I111-E115 PolarHBondContact O-N 3.41Å; E112-E115 PolarHBondContact O-N 3.45Å; E115-S117 PolarHBondContact O-N 3.18Å; E115-K118 PolarHBondContact O-N 3.47Å; E115-K118 VanDerWaalsContact O-N 3.17Å; E115-I119 WeakPolarHBondContact O-CB 3.41Å; E115-I119 WeakPolarHBondContact O-CD1 3.21Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.41Å; E115-I119 PolarHBondContact O-N 2.97Å
116V54.9Low53.2Low70 Ų70117.6 Ų117.642%0.42460%0.595SS.*Hα-helixtrans-61.1-29.4174.2171.60000112.1E112 K120E112-V116 WeakPolarHBondContact O-CB 3.23Å; E112-V116 VanDerWaalsContact O-CG2 3.31Å; E112-V116 WeakPolarHBondContact O-CG2 3.4Å; E112-V116 PolarHBondContact O-N 3.46Å; V116-K120 HydrophobicContact CG1-CD 4.39Å; V116-K120 WeakPolarHBondContact O-CB 3.31Å; V116-K120 WeakPolarHBondContact O-CG 3.36Å; V116-K120 PolarHBondContact O-N 2.95Å
117S51.8Low51.4Low59 Ų59120.5 Ų120.541%0.41361%0.611SS.*Hα-helixtrans-73.6-48172.4780000111.8K113 Q114 E115 I119 K120 T121K113-S117 WeakPolarHBondContact O-CB 3.44Å; K113-S117 PolarHBondContact O-N 3.33Å; K113-S117 PolarHBondContact O-OG 2.95Å; Q114-S117 PolarHBondContact O-OG 2.8Å; E115-S117 PolarHBondContact O-N 3.18Å; S117-I119 VanDerWaalsContact C-N 3.33Å; S117-I119 PolarHBondContact O-N 2.93Å; S117-K120 PolarHBondContact O-N 3.48Å; S117-K120 VanDerWaalsContact O-N 3.1Å; S117-T121 PolarHBondContact O-N 3.35Å; S117-T121 VanDerWaalsContact O-N 3.08Å; S117-T121 PolarHBondContact O-OG1 3.45Å
118K48.8Very low49.3Very low126 Ų126125.1 Ų125.155%0.54863%0.627SS.*Hα-helixtrans-54-47.7174.2-76.9171.7179.5170.10111.7Q114 E115 K120 T121 T122Q114-K118 WeakPolarHBondContact O-CG 3.46Å; Q114-K118 PolarHBondContact O-N 2.86Å; E115-K118 PolarHBondContact O-N 3.47Å; E115-K118 VanDerWaalsContact O-N 3.17Å; K118-K120 VanDerWaalsContact C-N 3.29Å; K118-K120 PolarHBondContact O-N 2.95Å; K118-T121 PolarHBondContact O-N 3.3Å; K118-T122 PolarHBondContact O-OG1 3.33Å
119I52Low47.5Very low124 Ų124124.3 Ų124.364%0.63663%0.631SS**Hα-helixtrans-64.5-30.5179.8-66.7164000112.1E115 S117E115-I119 WeakPolarHBondContact O-CB 3.41Å; E115-I119 WeakPolarHBondContact O-CD1 3.21Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.41Å; E115-I119 PolarHBondContact O-N 2.97Å; S117-I119 VanDerWaalsContact C-N 3.33Å; S117-I119 PolarHBondContact O-N 2.93Å
120K43.4Very low45.4Very low155 Ų155128.5 Ų128.567%0.67465%0.65SS**Hα-helixtrans-76.9-33175.8-81.4177.9176.6176.80113.4V116 S117 K118 T122V116-K120 HydrophobicContact CG1-CD 4.39Å; V116-K120 WeakPolarHBondContact O-CB 3.31Å; V116-K120 WeakPolarHBondContact O-CG 3.36Å; V116-K120 PolarHBondContact O-N 2.95Å; S117-K120 PolarHBondContact O-N 3.48Å; S117-K120 VanDerWaalsContact O-N 3.1Å; K118-K120 VanDerWaalsContact C-N 3.29Å; K118-K120 PolarHBondContact O-N 2.95Å; K120-T122 VanDerWaalsContact C-N 3.33Å; K120-T122 PolarHBondContact O-N 3.46Å
121T39Very low43.5Very low114 Ų114129 Ų12970%0.69966%0.66SS**Hα-helixtrans-68-32.4-179.9-43.70000112.2S117 K118 K123S117-T121 PolarHBondContact O-N 3.35Å; S117-T121 VanDerWaalsContact O-N 3.08Å; S117-T121 PolarHBondContact O-OG1 3.45Å; K118-T121 PolarHBondContact O-N 3.3Å; T121-K123 PolarHBondContact O-N 3.37Å
122T38.1Very low41.8Very low123 Ų123132.4 Ų132.476%0.75568%0.678SS**THydrogen-bonded Turntrans-73.2-3.6-175-18.40000115.4K118 K120K118-T122 PolarHBondContact O-OG1 3.33Å; K120-T122 VanDerWaalsContact C-N 3.33Å; K120-T122 PolarHBondContact O-N 3.46Å
123K37Very low39.9Very low180 Ų180131.5 Ų131.578%0.78369%0.686SS**THydrogen-bonded Turntrans-97.11.6-170.8-150.8170.5-178.3175.60115.7T121T121-K123 PolarHBondContact O-N 3.37Å
124N39.2Very low38.3Very low148 Ų148129.6 Ų129.679%0.79169%0.691SS**SBendtrans-139.668.3-172.6-75.4-45.6000115.5
125Q29.4Very low37.6Very low188 Ų188129.9 Ų129.988%0.87970%0.702SS**  trans-156.3148.9141.2-151.1157.919.500112.4
126P31.8Very low36.2Very low124 Ų124128.2 Ų128.281%0.80571%0.708SS**  trans-78.8171.9-176.7-18.934.9000117.1
127Q31.9Very low34.9Very low193 Ų193131.7 Ų131.790%0.90272%0.724SS**  trans-60.5157.6-178.6-55.6162.9-20.600115.5
128K25Very low33.9Very low183 Ų183135.8 Ų135.880%0.79674%0.741SS**  -174.1115.3129.1175152.9-175.2-1790114.2
129T25Very low33.1Very low103 Ų103137.6 Ų137.663%0.63275%0.751SS**  trans52.4146.6153.654.60000120.8
130D26.9Very low32Very low139 Ų139136.1 Ų136.174%0.74374%0.744SS**  cis-159.3156.24.7-114.6-30.9000113.9
131S31.3Very low31.2Very low90 Ų90134.6 Ų134.663%0.62975%0.753SS**  trans63.9121.6145.1-68.50000125.5
132I32Very low30.9Very low161 Ų161138.8 Ų138.883%0.82676%0.756SS**  trans73.5134.8133.9-59.3169.5000117.6
133S26.4Very low30.4Very low111 Ų111139.3 Ų139.378%0.77676%0.759SS**  cis-144.3166.43.751.80000113.8
134S27.2Very low29.9Very low105 Ų105134.1 Ų134.173%0.73476%0.757SS**  trans-88.4-168.6171.258.10000112
135P42.3Very low29.3Very low116 Ų116132.2 Ų132.275%0.75376%0.762SS**  cis-143.5-165.16.945.8-25.7000117.7
136A27.3Very low29.3Very low81 Ų81128.1 Ų128.167%0.66975%0.754SS**  trans78126.6161.700000118.3
137D26.2Very low29.1Very low142 Ų142130.3 Ų130.376%0.75975%0.754SS**  cis94134.440.4-77.5-48.5000112.5
138L32.1Very low28.8Very low146 Ų146131 Ų13176%0.76476%0.757SS**  cis-149.3158.39.9-88.2124.9000112.4
139E31.9Very low28.9Very low164 Ų164130.9 Ų130.977%0.76676%0.757SS**  trans42.2159.5135.6-61.4-69.87900123.2
140D27.8Very low29Very low92 Ų92131.4 Ų131.449%0.49276%0.764SS.*  cis-161.2146.8-18.816436.2000106.8R142D140-R142 PolarHBondContact OD1-N 3.31Å
141S27.2Very low29.2Very low124 Ų124131.8 Ų131.887%0.86776%0.761SS**  trans-154.770.9150.8-420000112.7
142R33.1Very low29.1Very low202 Ų202133.8 Ų133.876%0.76277%0.765SS**  trans-30140.1160.8-178.6-168.2-51.3-155.3-1.4116.4D140D140-R142 PolarHBondContact OD1-N 3.31Å
143T27.8Very low29.1Very low133 Ų133134.4 Ų134.482%0.81676%0.762SS**  trans150.6138.3134-64.50000109.8
144G26.3Very low29.3Very low72 Ų72135.3 Ų135.374%0.74276%0.758SS**  cis153.4134.3-2.700000109.7
145A27.5Very low29.2Very low108 Ų108139.7 Ų139.789%0.89376%0.759SS**  trans-145.5131.5-168.700000115.2
146S27.9Very low28.4Very low102 Ų102140.8 Ų140.871%0.71376%0.757SS**  trans-169.8150.2160.2-111.70000103.7
147E28.3Very low28.3Very low169 Ų169142 Ų14279%0.7976%0.761SS**  cis171.61480.4-116.1178.7111.200103.6
148Q25.9Very low28.4Very low207 Ų207139 Ų13997%0.96776%0.763SS**  trans-166170.6142.8-113.2173.524.200112.9
149K26.3Very low28.1Very low182 Ų182141.4 Ų141.479%0.79177%0.77SS**  trans-146.3124.2-147.5161.2-165.4167.9-172.30112.7
150S28.2Very low28.2Very low113 Ų113139.8 Ų139.879%0.7977%0.766SS**  trans-174.2147.6154.6-167.70000109.7
151Q30.9Very low28.5Very low147 Ų147141.4 Ų141.469%0.68778%0.781SS**  cis120.7136.3-7.2-163166.4-11.500115.6
152N28.3Very low28.5Very low133 Ų133146 Ų14671%0.71178%0.78SS**  trans72.7139.6-172.9-75.3-28.8000117.1
153K32.8Very low28.2Very low173 Ų173141.7 Ų141.775%0.75278%0.781SS**  cis85.2129.927.4-173.3-173.7174.8-174.50111.8
154N29.8Very low28.1Very low131 Ų131141.3 Ų141.370%0.70178%0.778SS**  cis-145.6-172.727.6-117.3-1.2000108.3
155R26.3Very low28.2Very low197 Ų197144.3 Ų144.374%0.74378%0.782SS**  cis-179.6168.2-29.5173.3170.9-176.8-83.4-2.2108.1
156L25.8Very low28.2Very low139 Ų139144 Ų14473%0.72878%0.78SS**  trans90.2114.6165.4-146.974.2000113.8
157S25.3Very low28.3Very low107 Ų107143.8 Ų143.875%0.74878%0.784SS**  cis94.4110.637.8-1660000112.8
158G27Very low28.9Very low77 Ų77141.7 Ų141.779%0.79479%0.785SS**  trans-94.8172.4176.900000114
159E26.5Very low29.3Very low197 Ų197139.2 Ų139.292%0.92178%0.777SS**  trans-110.1168.9-159.5-154.1163.1107.600114.7
160I33.3Very low30.4Very low131 Ų131136 Ų13667%0.67277%0.774SS**  trans-106.2142.4-179-57.7163.4000109.4
161P34.1Very low30.3Very low126 Ų126136.7 Ų136.782%0.81877%0.774SS**  trans-121.4159.5135.2-3.824.6000113.7
162R28.3Very low30.3Very low220 Ų220133.1 Ų133.183%0.8378%0.777SS**  trans-140.9168.6173.5-112.3-167.6-179.6107.8-3.2110.2
163S25.9Very low30.4Very low112 Ų112132.1 Ų132.178%0.78379%0.787SS**  trans78.9149.1178.1-49.10000113.7
164T26.6Very low30.4Very low125 Ų125128.3 Ų128.377%0.76779%0.787SS**  cis-143.4133.226.6-57.80000114.6
165T26.9Very low30.7Very low135 Ų135128.8 Ų128.883%0.82880%0.795SS**  trans30.8122.3148.4-48.90000123.1
166A27.1Very low31.8Very low101 Ų101124.1 Ų124.184%0.83579%0.79SS**  -165150.2126.200000112.6
167A30.9Very low32.1Very low97 Ų97125 Ų12580%0.80280%0.796SS**  trans-157.7166.4177.400000108.1
168P41.8Very low32.3Very low125 Ų125125.3 Ų125.381%0.81279%0.793SS**  cis-141.5-156.931.942.5-20.1000116.1
169I32.6Very low32.9Very low155 Ų155127.6 Ų127.680%0.79579%0.794SS**  trans-145.7157.6-167.8-77.5159.1000107.7
170P49.2Very low33.4Very low115 Ų115123.7 Ų123.775%0.74778%0.784SS**  cis-106.1-140.94.618.37.5000111.5
171T27.7Very low33.6Very low128 Ų128123.2 Ų123.279%0.78579%0.789SS**  cis-162.8157.114.8-49.70000107.9
172G30.8Very low33.8Very low72 Ų72124.3 Ų124.374%0.74278%0.783SS**  cis145.1102.3-5.500000112.5
173A30.1Very low34.1Very low112 Ų112119.5 Ų119.593%0.92678%0.78SS**  trans-158.3174.6-179.900000110.9
174A31.5Very low34.7Very low92 Ų92123.9 Ų123.976%0.7678%0.78SS**  trans-143.2159.4-167.900000117.2
175V36.8Very low34.8Very low141 Ų141127.2 Ų127.286%0.85578%0.784SS**  trans68.3171.2167.7-122.60000115.9
176P50.1Low35.2Very low100 Ų100126.8 Ų126.865%0.64978%0.781SS**  -121179.4-111.443.1-28.4000115.1
177N30.8Very low35.9Very low158 Ų158127.1 Ų127.185%0.84578%0.784SS**  -176.7162129.8-94.6-37.9000114.1
178T31.5Very low36.4Very low112 Ų112127.1 Ų127.169%0.68778%0.784SS**  trans-70.9159.7-179.9-21.40000113
179P38.7Very low36.5Very low125 Ų125129.4 Ų129.481%0.81279%0.79SS**  -143.5151.896.737.6-23.5000115.7
180T36.7Very low36.6Very low115 Ų115125.5 Ų125.571%0.70679%0.788SS**  trans-105.1133.1178-50.10000111.3
181P37.5Very low36.4Very low121 Ų121132.1 Ų132.179%0.78680%0.798SS**  trans-98.6115.9163.613.15.7000111.2
182H38.5Very low36.9Very low149 Ų149130.8 Ų130.869%0.6980%0.8SS**  trans-89.9156.3166.6-116.4-54000110.3
183P35.2Very low37.7Very low119 Ų119130.1 Ų130.177%0.77379%0.793SS**  trans-120.8147.7133.634.4-30.3000112.2
184R36.8Very low38.5Very low205 Ų205130.8 Ų130.877%0.77479%0.788SS**  trans-140.7122166.6-78-178.2177168.5-2.1108.1
185F30Very low39Very low194 Ų194134.2 Ų134.285%0.85179%0.792SS**  trans-148.8103.5158.8-84.2-69.2000106.5
186T34.4Very low39.7Very low126 Ų126134.1 Ų134.177%0.77379%0.792SS**  68.4122.398.157.20000114
187A41.8Very low39.9Very low109 Ų109134.6 Ų134.690%0.90179%0.792SS**  trans-81.8139.7174.500000111.9
188A43Very low41.2Very low97 Ų97132.9 Ų132.980%0.80279%0.79SS**  trans-160.9154.9164.300000109.2
189D43.3Very low42.2Very low173 Ų173132.6 Ų132.693%0.92578%0.781SS**  trans-66.1146.3-179.3-62.1-88.1000113.8
190G34.4Very low43.8Very low73 Ų73129.4 Ų129.475%0.75376%0.76SS**  trans-168.436.5-168.400000119.8A192G190-A192 PolarHBondContact O-N 2.86Å; G190-A192 VanDerWaalsContact O-N 3.17Å
191R45.9Very low45.7Very low254 Ų254132.1 Ų132.196%0.95876%0.762SS**  trans37.764.1153.3-159.3-170.5-163.2-160.15.8117.4
192A37.7Very low47.8Very low100 Ų100130.3 Ų130.383%0.82675%0.745SS**PPolyproline II helixtrans-75.4138.816700000111.4G190G190-A192 PolarHBondContact O-N 2.86Å; G190-A192 VanDerWaalsContact O-N 3.17Å
193G46.7Very low50.1Low58 Ų58126.1 Ų126.160%0.59873%0.728SS**PPolyproline II helixtrans-76.4173177.700000113.8L195G193-L195 PolarHBondContact O-N 3.29Å
194P46.6Very low52.5Low126 Ų126123.4 Ų123.482%0.81871%0.709SS**PPolyproline II helixtrans-61.8124.5179.626.1-34000111.1V196P194-V196 PolarHBondContact O-N 2.95Å; P194-V196 VanDerWaalsContact O-N 3.16Å
195L43.6Very low55.1Low164 Ų164118.3 Ų118.386%0.85970%0.696SS**  trans-64.9112.1174.6-73.8162.4000109.5G193 V197G193-L195 PolarHBondContact O-N 3.29Å; L195-V197 VanDerWaalsContact C-N 3.32Å; L195-V197 PolarHBondContact O-N 2.96Å
196V50.4Low57.9Low139 Ų139113.2 Ų113.284%0.84268%0.677SS**  trans-7390.6171.7-179.20000108.2P194P194-V196 PolarHBondContact O-N 2.95Å; P194-V196 VanDerWaalsContact O-N 3.16Å
197V53.9Low60.6Low109 Ų109111.3 Ų111.366%0.66167%0.666SS**  trans-61.4131.4173.31770000109L195 H199L195-V197 VanDerWaalsContact C-N 3.32Å; L195-V197 PolarHBondContact O-N 2.96Å; V197-H199 PolarHBondContact O-N 2.93Å
198P58.1Low63.1Low122 Ų122111.1 Ų111.179%0.79265%0.648SS**  trans-62.497.4171.7-23.935.5000111
199H52.8Low65.5Low107 Ų107111 Ų11150%0.49563%0.633SS.*  trans-62.3123.8-176.4-153.475.4000110.1V197 K201 D203 T204V197-H199 PolarHBondContact O-N 2.93Å; H199-K201 PolarHBondContact O-N 2.94Å; H199-D203 VanDerWaalsContact NE2-C 3.32Å; H199-D203 WeakPolarHBondContact NE2-CB 3.4Å; H199-T204 PolarHBondContact CD2-N 3.27Å; H199-T204 PolarHBondContact CD2-OG1 2.82Å
200P72.3Confident67.9Low58 Ų58107.6 Ų107.638%0.37761%0.614SS.*  trans-69.8136.9-178.930.9-35.1000109.4N202 D203P200-N202 PolarHBondContact O-N 2.85Å; P200-D203 HydrophobicContact CG-CB 4.14Å; P200-D203 WeakPolarHBondContact CG-OD2 3.33Å; P200-D203 PolarHBondContact O-N 3.32Å
201K77.4Confident70.8Confident172 Ų172107.4 Ų107.475%0.74860%0.601SS**Hα-helixtrans-49.5-33.3-17061.5-173.7177.8-179.60115.5H199 T204 I205H199-K201 PolarHBondContact O-N 2.94Å; K201-T204 PolarHBondContact O-N 2.88Å; K201-I205 WeakPolarHBondContact O-CG1 3.44Å; K201-I205 PolarHBondContact O-N 2.91Å
202N80.6Confident73.3Confident82 Ų82100.6 Ų100.644%0.43958%0.583SS.*Hα-helixtrans-60.3-41.7173.739.5-81.7000112.9P200 T204 I205 I206P200-N202 PolarHBondContact O-N 2.85Å; N202-T204 VanDerWaalsContact C-N 3.32Å; N202-T204 PolarHBondContact O-N 2.71Å; N202-I205 PolarHBondContact O-N 3.08Å; N202-I205 VanDerWaalsContact O-N 3.16Å; N202-I206 WeakPolarHBondContact O-CG1 3.44Å; N202-I206 PolarHBondContact O-N 3.4Å
203D86.3Confident76Confident61 Ų6199.8 Ų99.833%0.32657%0.57SS.*Hα-helixtrans-74.9-26.3-176.1-63.3-7.9000111H199 P200 V207H199-D203 VanDerWaalsContact NE2-C 3.32Å; H199-D203 WeakPolarHBondContact NE2-CB 3.4Å; P200-D203 HydrophobicContact CG-CB 4.14Å; P200-D203 WeakPolarHBondContact CG-OD2 3.33Å; P200-D203 PolarHBondContact O-N 3.32Å; D203-V207 WeakPolarHBondContact O-CB 3.23Å; D203-V207 VanDerWaalsContact O-CG2 3.23Å; D203-V207 WeakPolarHBondContact O-CG2 3.31Å; D203-V207 PolarHBondContact O-N 2.92Å
204T86.6Confident78.3Confident62 Ų6299.4 Ų99.438%0.3856%0.556SS.*Hα-helixtrans-64-45.6167.3-460000110.8H199 K201 N202 V207 I208H199-T204 PolarHBondContact CD2-N 3.27Å; H199-T204 PolarHBondContact CD2-OG1 2.82Å; K201-T204 PolarHBondContact O-N 2.88Å; N202-T204 VanDerWaalsContact C-N 3.32Å; N202-T204 PolarHBondContact O-N 2.71Å; T204-V207 PolarHBondContact O-N 3.17Å; T204-I208 HydrophobicContact CG2-CD1 4.03Å; T204-I208 VanDerWaalsContact O-CG1 3.28Å; T204-I208 WeakPolarHBondContact O-CG1 3.19Å; T204-I208 PolarHBondContact O-N 3.24Å
205I90.6Very high80.7Confident98 Ų9897.2 Ų97.250%0.50354%0.54SS..Hα-helixtrans-64.9-43.2-179.8-65.9164.1000110.6K201 N202 I208 I209K201-I205 WeakPolarHBondContact O-CG1 3.44Å; K201-I205 PolarHBondContact O-N 2.91Å; N202-I205 PolarHBondContact O-N 3.08Å; N202-I205 VanDerWaalsContact O-N 3.16Å; I205-I208 PolarHBondContact O-N 3.21Å; I205-I209 HydrophobicContact CG2-CD1 3.87Å; I205-I209 WeakPolarHBondContact O-CG1 3.23Å; I205-I209 PolarHBondContact O-N 2.88Å
206I89.3Confident83.3Confident87 Ų8793.3 Ų93.345%0.44652%0.523SS..Hα-helixtrans-61.5-44.9176.3-68.8163.2000110.8N202 I208 I209 I210N202-I206 WeakPolarHBondContact O-CG1 3.44Å; N202-I206 PolarHBondContact O-N 3.4Å; I206-I208 PolarHBondContact O-N 3.38Å; I206-I209 PolarHBondContact O-N 2.85Å; I206-I210 HydrophobicContact CG2-CD1 3.72Å; I206-I210 HydrophobicContact CG2-CG1 4.46Å; I206-I210 VanDerWaalsContact O-CG1 3.31Å; I206-I210 WeakPolarHBondContact O-CG1 3.37Å; I206-I210 PolarHBondContact O-N 2.95Å
207V91.2Very high85.4Confident87 Ų8788.2 Ų88.253%0.52750%0.499SS..Hα-helixtrans-62.9-39.7176167.80000112D203 T204 S211D203-V207 WeakPolarHBondContact O-CB 3.23Å; D203-V207 VanDerWaalsContact O-CG2 3.23Å; D203-V207 WeakPolarHBondContact O-CG2 3.31Å; D203-V207 PolarHBondContact O-N 2.92Å; T204-V207 PolarHBondContact O-N 3.17Å; V207-S211 WeakPolarHBondContact O-CB 3.33Å; V207-S211 PolarHBondContact O-N 3.47Å
208I93.6Very high87.4Confident105 Ų10585.6 Ų85.654%0.53848%0.483SS..Hα-helixtrans-62.8-45.2175.2-71.2164.5000111.2T204 I205 I206 S211 L212T204-I208 HydrophobicContact CG2-CD1 4.03Å; T204-I208 VanDerWaalsContact O-CG1 3.28Å; T204-I208 WeakPolarHBondContact O-CG1 3.19Å; T204-I208 PolarHBondContact O-N 3.24Å; I205-I208 PolarHBondContact O-N 3.21Å; I206-I208 PolarHBondContact O-N 3.38Å; I208-S211 PolarHBondContact O-N 3.06Å; I208-L212 WeakPolarHBondContact O-CB 3.32Å; I208-L212 PolarHBondContact O-N 3.48Å
209I94.3Very high89.2Confident94 Ų9483.4 Ų83.448%0.48247%0.467SS..Hα-helixtrans-62.8-48.1178.4-68.1165.2000110.5I205 I206 S211 L212 C213I205-I209 HydrophobicContact CG2-CD1 3.87Å; I205-I209 WeakPolarHBondContact O-CG1 3.23Å; I205-I209 PolarHBondContact O-N 2.88Å; I206-I209 PolarHBondContact O-N 2.85Å; I209-S211 VanDerWaalsContact C-N 3.33Å; I209-S211 PolarHBondContact O-N 3.27Å; I209-L212 PolarHBondContact O-N 3.37Å; I209-C213 PolarHBondContact O-N 3.24Å; I209-C213 PolarHBondContact O-SG 3.04Å; I209-C213 VanDerWaalsContact O-SG 3.34Å
210I94.2Very high91.2Very high102 Ų10281.8 Ų81.852%0.52347%0.467SS..Hα-helixtrans-60.5-44177.7-67.7168.6000110.5I206 L212 C213 V214I206-I210 HydrophobicContact CG2-CD1 3.72Å; I206-I210 HydrophobicContact CG2-CG1 4.46Å; I206-I210 VanDerWaalsContact O-CG1 3.31Å; I206-I210 WeakPolarHBondContact O-CG1 3.37Å; I206-I210 PolarHBondContact O-N 2.95Å; I210-L212 PolarHBondContact O-N 2.94Å; I210-C213 PolarHBondContact O-N 3.39Å; I210-V214 HydrophobicContact CG2-CG2 4.46Å; I210-V214 WeakPolarHBondContact O-CB 3.41Å; I210-V214 VanDerWaalsContact O-CG2 3.31Å; I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 2.84Å
211S95.4Very high92.4Very high68 Ų6883.1 Ų83.148%0.47647%0.474SS..Hα-helixtrans-61.7-41.6177.4-177.20000112.5V207 I208 I209 V214 V215V207-S211 WeakPolarHBondContact O-CB 3.33Å; V207-S211 PolarHBondContact O-N 3.47Å; I208-S211 PolarHBondContact O-N 3.06Å; I209-S211 VanDerWaalsContact C-N 3.33Å; I209-S211 PolarHBondContact O-N 3.27Å; S211-V214 WeakPolarHBondContact O-CB 3.19Å; S211-V214 PolarHBondContact O-N 2.92Å; S211-V215 WeakPolarHBondContact O-CG2 3.37Å; S211-V215 PolarHBondContact O-N 3.26Å
212L96.9Very high93.2Very high111 Ų11180 Ų8058%0.58146%0.464SS*.Hα-helixtrans-65.8-45.5175.9-176.463.6000111.7I208 I209 I210 V214 V215 V216I208-L212 WeakPolarHBondContact O-CB 3.32Å; I208-L212 PolarHBondContact O-N 3.48Å; I209-L212 PolarHBondContact O-N 3.37Å; I210-L212 PolarHBondContact O-N 2.94Å; L212-V214 VanDerWaalsContact C-N 3.29Å; L212-V214 PolarHBondContact O-N 3.35Å; L212-V215 PolarHBondContact O-N 3.4Å; L212-V216 HydrophobicContact CD1-CG2 4.32Å; L212-V216 WeakPolarHBondContact O-CG2 3.46Å; L212-V216 PolarHBondContact O-N 2.88Å
213C94.4Very high93.9Very high83 Ų8381.1 Ų81.156%0.56147%0.47SS*.Hα-helixtrans-61.6-36.2175.8-69.50000112.4I209 I210 G217I209-C213 PolarHBondContact O-N 3.24Å; I209-C213 PolarHBondContact O-SG 3.04Å; I209-C213 VanDerWaalsContact O-SG 3.34Å; I210-C213 PolarHBondContact O-N 3.39Å; C213-G217 WeakPolarHBondContact O-CA 3.46Å; C213-G217 PolarHBondContact O-N 2.74Å
214V96.8Very high94.3Very high50 Ų5081.1 Ų81.130%0.30348%0.478SS..Hα-helixtrans-60.8-50.1172.2151.40000111.5Y34 I210 S211 L212 G217 T218Y34-V214 HydrophobicContact CE1-CB 4.45Å; Y34-V214 HydrophobicContact CE1-CG1 3.68Å; Y34-V214 HydrophobicContact CE1-CG2 4.03Å; Y34-V214 WeakPolarHBondContact OH-CG1 3.49Å; I210-V214 HydrophobicContact CG2-CG2 4.46Å; I210-V214 WeakPolarHBondContact O-CB 3.41Å; I210-V214 VanDerWaalsContact O-CG2 3.31Å; I210-V214 WeakPolarHBondContact O-CG2 3.35Å; I210-V214 PolarHBondContact O-N 2.84Å; S211-V214 WeakPolarHBondContact O-CB 3.19Å; S211-V214 PolarHBondContact O-N 2.92Å; L212-V214 VanDerWaalsContact C-N 3.29Å; L212-V214 PolarHBondContact O-N 3.35Å; V214-G217 PolarHBondContact O-N 3.05Å; V214-T218 WeakPolarHBondContact O-CG2 3.2Å; V214-T218 PolarHBondContact O-N 3.01Å; V214-T218 PolarHBondContact O-OG1 2.91Å
215V96.8Very high94.7Very high81 Ų8181.1 Ų81.149%0.49148%0.481SS..Hα-helixtrans-65.8-47.6-179.3172.80000111.2S211 L212 T218 V219S211-V215 WeakPolarHBondContact O-CG2 3.37Å; S211-V215 PolarHBondContact O-N 3.26Å; L212-V215 PolarHBondContact O-N 3.4Å; V215-T218 PolarHBondContact O-N 3.49Å; V215-T218 PolarHBondContact O-OG1 2.88Å; V215-V219 WeakPolarHBondContact O-CG2 3.33Å; V215-V219 PolarHBondContact O-N 2.96Å
216V96.7Very high94.9Very high82 Ų8280.9 Ų80.950%0.49748%0.483SS..Hα-helixtrans-63.8-43.9177.6175.70000111L212 T218 V219 C220L212-V216 HydrophobicContact CD1-CG2 4.32Å; L212-V216 WeakPolarHBondContact O-CG2 3.46Å; L212-V216 PolarHBondContact O-N 2.88Å; V216-T218 PolarHBondContact O-N 2.88Å; V216-V219 PolarHBondContact O-N 2.89Å; V216-C220 PolarHBondContact O-N 2.95Å; V216-C220 PolarHBondContact O-SG 3.16Å; V216-C220 VanDerWaalsContact O-SG 3.33Å
217G95.8Very high95Very high32 Ų3280.1 Ų80.133%0.3349%0.485SS..Hα-helixtrans-60.8-44.117900000113C213 V214 C220 V221C213-G217 WeakPolarHBondContact O-CA 3.46Å; C213-G217 PolarHBondContact O-N 2.74Å; V214-G217 PolarHBondContact O-N 3.05Å; G217-C220 PolarHBondContact O-N 3.22Å; G217-V221 WeakPolarHBondContact O-CG2 3Å; G217-V221 PolarHBondContact O-N 3.48Å
218T94.4Very high95.2Very high53 Ų5383.3 Ų83.333%0.32549%0.489SS..Hα-helixtrans-64.9-41.1176.949.10000112.5Y34 V214 V215 V216 V221 I222Y34-T218 HydrophobicContact CE2-CG2 4.28Å; V214-T218 WeakPolarHBondContact O-CG2 3.2Å; V214-T218 PolarHBondContact O-N 3.01Å; V214-T218 PolarHBondContact O-OG1 2.91Å; V215-T218 PolarHBondContact O-N 3.49Å; V215-T218 PolarHBondContact O-OG1 2.88Å; V216-T218 PolarHBondContact O-N 2.88Å; T218-V221 PolarHBondContact O-N 3.3Å; T218-I222 WeakPolarHBondContact O-CD1 3.44Å; T218-I222 VanDerWaalsContact O-CG1 3.26Å; T218-I222 WeakPolarHBondContact O-CG1 3.37Å; T218-I222 PolarHBondContact O-N 2.95Å
219V96.4Very high95.2Very high77 Ų7782.6 Ų82.647%0.46749%0.489SS..Hα-helixtrans-61-45.8173.9173.20000111.3V215 V216 V221 I222 L223V215-V219 WeakPolarHBondContact O-CG2 3.33Å; V215-V219 PolarHBondContact O-N 2.96Å; V216-V219 PolarHBondContact O-N 2.89Å; V219-V221 PolarHBondContact O-N 2.95Å; V219-I222 PolarHBondContact O-N 2.87Å; V219-L223 HydrophobicContact CG1-CD1 4.01Å; V219-L223 HydrophobicContact CG1-CG 4.48Å; V219-L223 WeakPolarHBondContact O-CG 3.32Å; V219-L223 PolarHBondContact O-N 3.37Å
220C95.9Very high95.1Very high72 Ų7284.4 Ų84.449%0.48649%0.494SS..Hα-helixtrans-60.7-41.9176.4-70.80000112.6V216 G217 L223 A224V216-C220 PolarHBondContact O-N 2.95Å; V216-C220 PolarHBondContact O-SG 3.16Å; V216-C220 VanDerWaalsContact O-SG 3.33Å; G217-C220 PolarHBondContact O-N 3.22Å; C220-L223 PolarHBondContact O-N 3.31Å; C220-A224 VanDerWaalsContact O-CB 3.28Å; C220-A224 WeakPolarHBondContact O-CB 3.44Å; C220-A224 PolarHBondContact O-N 3.44Å
221V96.2Very high94.9Very high87 Ų8785.3 Ų85.353%0.52750%0.499SS..Hα-helixtrans-67.2-38.8177.1169.70000111.9G217 T218 V219 S225G217-V221 WeakPolarHBondContact O-CG2 3Å; G217-V221 PolarHBondContact O-N 3.48Å; T218-V221 PolarHBondContact O-N 3.3Å; V219-V221 PolarHBondContact O-N 2.95Å; V221-S225 VanDerWaalsContact O-CB 3.3Å; V221-S225 WeakPolarHBondContact O-CB 3.39Å; V221-S225 PolarHBondContact O-N 2.94Å; V221-S225 PolarHBondContact O-OG 2.9Å
222I95.6Very high94.6Very high106 Ų10688.5 Ų88.554%0.54450%0.501SS..Hα-helixtrans-63.2-48.7175-69.8162.6000110.2T218 V219 S225 V226T218-I222 WeakPolarHBondContact O-CD1 3.44Å; T218-I222 VanDerWaalsContact O-CG1 3.26Å; T218-I222 WeakPolarHBondContact O-CG1 3.37Å; T218-I222 PolarHBondContact O-N 2.95Å; V219-I222 PolarHBondContact O-N 2.87Å; I222-S225 PolarHBondContact O-N 3.16Å; I222-V226 WeakPolarHBondContact O-CG2 3.41Å; I222-V226 PolarHBondContact O-N 2.98Å
223L95.1Very high94.1Very high106 Ų10686.3 Ų86.356%0.55549%0.492SS*.Hα-helixtrans-61.2-46.7177.6-70.6172.3000111.6V219 C220 S225 V226 C227V219-L223 HydrophobicContact CG1-CD1 4.01Å; V219-L223 HydrophobicContact CG1-CG 4.48Å; V219-L223 WeakPolarHBondContact O-CG 3.32Å; V219-L223 PolarHBondContact O-N 3.37Å; C220-L223 PolarHBondContact O-N 3.31Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 3.34Å; L223-V226 PolarHBondContact O-N 3.43Å; L223-C227 WeakPolarHBondContact O-CB 3.34Å; L223-C227 PolarHBondContact O-N 3.4Å; L223-C227 PolarHBondContact O-SG 2.81Å
224A94.5Very high93.6Very high60 Ų6086.7 Ų86.750%0.49649%0.486SS..Hα-helixtrans-59.6-39.6175.800000112.2C220 Y228C220-A224 VanDerWaalsContact O-CB 3.28Å; C220-A224 WeakPolarHBondContact O-CB 3.44Å; C220-A224 PolarHBondContact O-N 3.44Å; A224-Y228 VanDerWaalsContact O-CB 3.26Å; A224-Y228 WeakPolarHBondContact O-CB 3.03Å; A224-Y228 PolarHBondContact O-N 3.04Å
225S94.1Very high92.6Very high63 Ų6387.3 Ų87.344%0.44149%0.492SS..Hα-helixtrans-67.2-44.3177.4-58.90000112.3V221 I222 L223 Y228 V229V221-S225 VanDerWaalsContact O-CB 3.3Å; V221-S225 WeakPolarHBondContact O-CB 3.39Å; V221-S225 PolarHBondContact O-N 2.94Å; V221-S225 PolarHBondContact O-OG 2.9Å; I222-S225 PolarHBondContact O-N 3.16Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 3.34Å; S225-Y228 PolarHBondContact O-N 3.02Å; S225-V229 WeakPolarHBondContact O-CB 3.46Å; S225-V229 WeakPolarHBondContact O-CG2 3.39Å; S225-V229 PolarHBondContact O-N 3.38Å
226V94.8Very high91.4Very high92 Ų9288.2 Ų88.256%0.55849%0.486SS*.Hα-helixtrans-65.7-43.8176.8171.90000110.8I222 L223 V229 K230I222-V226 WeakPolarHBondContact O-CG2 3.41Å; I222-V226 PolarHBondContact O-N 2.98Å; L223-V226 PolarHBondContact O-N 3.43Å; V226-V229 PolarHBondContact O-N 3Å; V226-K230 WeakPolarHBondContact O-CB 3.33Å; V226-K230 PolarHBondContact O-N 2.79Å
227C92.1Very high89.9Confident72 Ų7289.1 Ų89.149%0.48649%0.488SS..Hα-helixtrans-60.8-44.1174.1-72.10000111.7L223 K230 L231L223-C227 WeakPolarHBondContact O-CB 3.34Å; L223-C227 PolarHBondContact O-N 3.4Å; L223-C227 PolarHBondContact O-SG 2.81Å; C227-K230 PolarHBondContact O-N 2.96Å; C227-L231 VanDerWaalsContact O-CB 3.29Å; C227-L231 WeakPolarHBondContact O-CB 3.41Å; C227-L231 WeakPolarHBondContact O-CD1 3.04Å; C227-L231 VanDerWaalsContact O-CG 3.25Å; C227-L231 WeakPolarHBondContact O-CG 3.04Å; C227-L231 PolarHBondContact O-N 2.6Å
228Y95.6Very high88.2Confident153 Ų15390.6 Ų90.660%0.650%0.497SS*.Hα-helixtrans-64.2-44.4176.9-176.3-94.7000112.3A224 S225 K230 R232A224-Y228 VanDerWaalsContact O-CB 3.26Å; A224-Y228 WeakPolarHBondContact O-CB 3.03Å; A224-Y228 PolarHBondContact O-N 3.04Å; S225-Y228 PolarHBondContact O-N 3.02Å; Y228-K230 VanDerWaalsContact C-N 3.34Å; Y228-K230 PolarHBondContact O-N 3.5Å; Y228-R232 WeakPolarHBondContact O-CB 3.33Å; Y228-R232 PolarHBondContact O-N 3.17Å
229V92.8Very high86.6Confident90 Ų9092.7 Ų92.755%0.54550%0.503SS..Hα-helixtrans-63.7-39.7175.9170.20000111.1S225 V226 T233S225-V229 WeakPolarHBondContact O-CB 3.46Å; S225-V229 WeakPolarHBondContact O-CG2 3.39Å; S225-V229 PolarHBondContact O-N 3.38Å; V226-V229 PolarHBondContact O-N 3Å; V229-T233 WeakPolarHBondContact O-CB 3.49Å; V229-T233 PolarHBondContact O-N 2.82Å; V229-T233 PolarHBondContact O-OG1 3.21Å
230K92.9Very high84.5Confident132 Ų13295.9 Ų95.957%0.57451%0.511SS*.Hα-helixtrans-66.3-54.5175.2-173.5169.6-177.6177.80111.3V226 C227 Y228 R232 T233 E234V226-K230 WeakPolarHBondContact O-CB 3.33Å; V226-K230 PolarHBondContact O-N 2.79Å; C227-K230 PolarHBondContact O-N 2.96Å; Y228-K230 VanDerWaalsContact C-N 3.34Å; Y228-K230 PolarHBondContact O-N 3.5Å; K230-R232 VanDerWaalsContact C-N 3.28Å; K230-R232 PolarHBondContact O-N 3.15Å; K230-T233 CarbonylContact O-C 3.58Å; K230-T233 WeakPolarHBondContact O-CA 3.31Å; K230-T233 VanDerWaalsContact O-CB 3.29Å; K230-T233 WeakPolarHBondContact O-CB 3.02Å; K230-T233 PolarHBondContact O-N 2.78Å; K230-E234 WeakPolarHBondContact CE-OE1 3.3Å; K230-E234 HydrophobicContact CG-CG 4.28Å; K230-E234 WeakPolarHBondContact CG-OE1 3.06Å; K230-E234 IonicContact NZ-OE1 2.6Å; K230-E234 WeakPolarHBondContact O-CG 2.92Å; K230-E234 PolarHBondContact O-N 3.47Å
231L90.5Very high82.6Confident122 Ų12298.3 Ų98.364%0.63952%0.523SS*.Hα-helixtrans-54.1-43.4177.8-74.6165.2000112.1C227 T233 E234 S235C227-L231 VanDerWaalsContact O-CB 3.29Å; C227-L231 WeakPolarHBondContact O-CB 3.41Å; C227-L231 WeakPolarHBondContact O-CD1 3.04Å; C227-L231 VanDerWaalsContact O-CG 3.25Å; C227-L231 WeakPolarHBondContact O-CG 3.04Å; C227-L231 PolarHBondContact O-N 2.6Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 2.78Å; L231-E234 PolarHBondContact O-N 2.85Å; L231-S235 WeakPolarHBondContact O-CB 3.37Å; L231-S235 PolarHBondContact O-N 3.08Å
232R89Confident80.4Confident134 Ų134100.2 Ų100.251%0.50653%0.53SS..Hα-helixtrans-68.6-27.9174.7-165.4-173.4-169.4-107.63.7112.6Y228 K230 S235 R236Y228-R232 WeakPolarHBondContact O-CB 3.33Å; Y228-R232 PolarHBondContact O-N 3.17Å; K230-R232 VanDerWaalsContact C-N 3.28Å; K230-R232 PolarHBondContact O-N 3.15Å; R232-S235 PolarHBondContact O-OG 2.77Å; R232-R236 HydrophobicContact CG-CG 4.41Å; R232-R236 WeakPolarHBondContact O-CB 3.33Å; R232-R236 WeakPolarHBondContact O-CG 3.26Å; R232-R236 PolarHBondContact O-N 2.68Å
233T85.9Confident77.6Confident65 Ų65104.9 Ų104.940%0.39954%0.542SS..Hα-helixtrans-71.3-49.9172.3-61.40000110.4V229 K230 L231 S235 R236 L237V229-T233 WeakPolarHBondContact O-CB 3.49Å; V229-T233 PolarHBondContact O-N 2.82Å; V229-T233 PolarHBondContact O-OG1 3.21Å; K230-T233 CarbonylContact O-C 3.58Å; K230-T233 WeakPolarHBondContact O-CA 3.31Å; K230-T233 VanDerWaalsContact O-CB 3.29Å; K230-T233 WeakPolarHBondContact O-CB 3.02Å; K230-T233 PolarHBondContact O-N 2.78Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 2.78Å; T233-S235 VanDerWaalsContact C-N 3.31Å; T233-S235 PolarHBondContact O-N 2.77Å; T233-R236 CarbonylContact O-C 3.5Å; T233-R236 WeakPolarHBondContact O-CA 3.37Å; T233-R236 PolarHBondContact O-N 3.01Å; T233-R236 VanDerWaalsContact O-N 3.08Å; T233-L237 HydrophobicContact CG2-CD1 4.07Å; T233-L237 WeakPolarHBondContact O-CD1 3.48Å; T233-L237 PolarHBondContact O-N 3.11Å
234E83.6Confident75.4Confident92 Ų92105.3 Ų105.343%0.4355%0.552SS.*Hα-helixtrans-59.5-43.7176.7-48.9-51.2168.300110.8K230 L231 R236 L237 A238K230-E234 WeakPolarHBondContact CE-OE1 3.3Å; K230-E234 HydrophobicContact CG-CG 4.28Å; K230-E234 WeakPolarHBondContact CG-OE1 3.06Å; K230-E234 IonicContact NZ-OE1 2.6Å; K230-E234 WeakPolarHBondContact O-CG 2.92Å; K230-E234 PolarHBondContact O-N 3.47Å; L231-E234 PolarHBondContact O-N 2.85Å; E234-R236 VanDerWaalsContact C-N 3.33Å; E234-R236 PolarHBondContact O-N 2.96Å; E234-L237 WeakPolarHBondContact O-CB 3.36Å; E234-L237 PolarHBondContact O-N 2.87Å; E234-L237 VanDerWaalsContact O-N 3.13Å; E234-A238 PolarHBondContact O-N 2.73Å
235S75.6Confident73.1Confident62 Ų62106.8 Ų106.843%0.43456%0.563SS.*Hα-helixtrans-65.6-34.8176.1860000112.4L231 R232 T233 L237 A238 E239L231-S235 WeakPolarHBondContact O-CB 3.37Å; L231-S235 PolarHBondContact O-N 3.08Å; R232-S235 PolarHBondContact O-OG 2.77Å; T233-S235 VanDerWaalsContact C-N 3.31Å; T233-S235 PolarHBondContact O-N 2.77Å; S235-L237 VanDerWaalsContact C-N 3.3Å; S235-A238 PolarHBondContact O-N 2.03Å; S235-E239 WeakPolarHBondContact O-CB 3.41Å; S235-E239 PolarHBondContact O-N 2.75Å
236R71.7Confident70.9Confident100 Ų100113.1 Ų113.138%0.37758%0.584SS.*Hα-helixtrans-73.5-18.1173.9-79.2-84.2162.4-154.5-25.4113.7R232 T233 E234 E239 K240R232-R236 HydrophobicContact CG-CG 4.41Å; R232-R236 WeakPolarHBondContact O-CB 3.33Å; R232-R236 WeakPolarHBondContact O-CG 3.26Å; R232-R236 PolarHBondContact O-N 2.68Å; T233-R236 CarbonylContact O-C 3.5Å; T233-R236 WeakPolarHBondContact O-CA 3.37Å; T233-R236 PolarHBondContact O-N 3.01Å; T233-R236 VanDerWaalsContact O-N 3.08Å; E234-R236 VanDerWaalsContact C-N 3.33Å; E234-R236 PolarHBondContact O-N 2.96Å; R236-E239 IonicContact CZ-OE1 3.88Å; R236-E239 IonicContact CZ-OE2 3.38Å; R236-E239 IonicContact NE-OE2 2.78Å; R236-E239 PolarHBondContact NE-OE2 3.06Å; R236-E239 VanDerWaalsContact NH1-CD 3.29Å; R236-E239 IonicContact NH1-OE1 2.87Å; R236-E239 PolarHBondContact NH1-OE1 3.19Å; R236-E239 IonicContact NH1-OE2 3.85Å; R236-E239 PolarHBondContact NH1-OE2 3.22Å; R236-E239 VanDerWaalsContact NH2-CD 3.34Å; R236-E239 IonicContact NH2-OE1 2.88Å; R236-E239 PolarHBondContact NH2-OE1 2.81Å; R236-E239 IonicContact NH2-OE2 2.85Å; R236-E239 PolarHBondContact NH2-OE2 3.38Å; R236-K240 WeakPolarHBondContact O-CD 3.47Å; R236-K240 VanDerWaalsContact O-CG 3.24Å; R236-K240 WeakPolarHBondContact O-CG 3.38Å
237L64.9Low68.4Low102 Ų102120.6 Ų120.653%0.53460%0.602SS.*Hα-helixtrans-80.8-47.1170.2-96.959.6000109.4T233 E234 S235 K240 V241T233-L237 HydrophobicContact CG2-CD1 4.07Å; T233-L237 WeakPolarHBondContact O-CD1 3.48Å; T233-L237 PolarHBondContact O-N 3.11Å; E234-L237 WeakPolarHBondContact O-CB 3.36Å; E234-L237 PolarHBondContact O-N 2.87Å; E234-L237 VanDerWaalsContact O-N 3.13Å; S235-L237 VanDerWaalsContact C-N 3.3Å; L237-K240 PolarHBondContact O-N 3.39Å; L237-K240 VanDerWaalsContact O-N 3.12Å; L237-V241 PolarHBondContact O-N 3.44Å
238A61Low65.7Low62 Ų62121 Ų12151%0.51261%0.61SS.*Hα-helixtrans-58.4-49.317300000112.4E234 S235 K240 V241E234-A238 PolarHBondContact O-N 2.73Å; S235-A238 PolarHBondContact O-N 2.03Å; A238-K240 PolarHBondContact O-N 2.82Å; A238-V241 PolarHBondContact O-N 3.01Å
239E61.1Low63.4Low97 Ų97120.1 Ų120.145%0.45362%0.623SS.*THydrogen-bonded Turntrans-57.2-18.7175.8-171.8-169.415100113.3S235 R236S235-E239 WeakPolarHBondContact O-CB 3.41Å; S235-E239 PolarHBondContact O-N 2.75Å; R236-E239 IonicContact CZ-OE1 3.88Å; R236-E239 IonicContact CZ-OE2 3.38Å; R236-E239 IonicContact NE-OE2 2.78Å; R236-E239 PolarHBondContact NE-OE2 3.06Å; R236-E239 VanDerWaalsContact NH1-CD 3.29Å; R236-E239 IonicContact NH1-OE1 2.87Å; R236-E239 PolarHBondContact NH1-OE1 3.19Å; R236-E239 IonicContact NH1-OE2 3.85Å; R236-E239 PolarHBondContact NH1-OE2 3.22Å; R236-E239 VanDerWaalsContact NH2-CD 3.34Å; R236-E239 IonicContact NH2-OE1 2.88Å; R236-E239 PolarHBondContact NH2-OE1 2.81Å; R236-E239 IonicContact NH2-OE2 2.85Å; R236-E239 PolarHBondContact NH2-OE2 3.38Å
240K52.8Low61.4Low145 Ų145121 Ų12163%0.6363%0.634SS**THydrogen-bonded Turntrans-98.3-7.2178.9-79.1179.4179.7-179.50114.7R236 L237 A238 D242R236-K240 WeakPolarHBondContact O-CD 3.47Å; R236-K240 VanDerWaalsContact O-CG 3.24Å; R236-K240 WeakPolarHBondContact O-CG 3.38Å; L237-K240 PolarHBondContact O-N 3.39Å; L237-K240 VanDerWaalsContact O-N 3.12Å; A238-K240 PolarHBondContact O-N 2.82Å; K240-D242 VanDerWaalsContact C-N 3.34Å
241V54.8Low58.7Low122 Ų122121 Ų12174%0.73964%0.644SS**THydrogen-bonded Turntrans-73.4-34.6169.3178.20000109.6L237 A238 Y243L237-V241 PolarHBondContact O-N 3.44Å; A238-V241 PolarHBondContact O-N 3.01Å; V241-Y243 PolarHBondContact O-N 3.39Å
242D49.7Very low56.5Low127 Ų127120.3 Ų120.368%0.67965%0.647SS**SBendtrans-87.4100.3169.9-77.9-61.9000112.3K240K240-D242 VanDerWaalsContact C-N 3.34Å
243Y36.8Very low54.4Low205 Ų205120.1 Ų120.180%0.80466%0.663SS**  trans57.488165.2-78.7-91.2000118.2V241 A245V241-Y243 PolarHBondContact O-N 3.39Å; Y243-A245 VanDerWaalsContact C-N 3.32Å; Y243-A245 PolarHBondContact O-N 3.36Å
244P48.5Very low52.3Low115 Ų115122.9 Ų122.975%0.74768%0.68SS**  trans-68.285.2159.829.6-34.9000111.6F246P244-F246 PolarHBondContact O-N 2.88Å
245A46.4Very low50.4Low90 Ų90123.9 Ų123.974%0.74470%0.695SS**  trans-67.897.3-177.400000113.7Y243 R247Y243-A245 VanDerWaalsContact C-N 3.32Å; Y243-A245 PolarHBondContact O-N 3.36Å; A245-R247 PolarHBondContact O-N 3.47Å
246F48.1Very low49.2Very low197 Ų197125.3 Ų125.386%0.86471%0.71SS**  trans23.190.6152-166.1-95.1000117.5P244P244-F246 PolarHBondContact O-N 2.88Å
247R43.1Very low48.1Very low249 Ų249126.2 Ų126.294%0.9472%0.722SS**  trans-156.698.7152.9-119.7177.1-167.8-179.15.7113.4A245A245-R247 PolarHBondContact O-N 3.47Å
248A35.3Very low47.5Very low81 Ų81124 Ų12467%0.66973%0.725SS**  trans-133.7144.4157.300000108.2
249P47.5Very low47.2Very low133 Ų133125.1 Ų125.186%0.86473%0.729SS**  trans-63.6156176.6-21.934.6000112.8
250S50Low46.9Very low110 Ų110123.1 Ų123.177%0.76973%0.725SS**  trans-61.4163.4-175.545.30000115.8
251V36.7Very low47.1Very low132 Ų132119.8 Ų119.880%0.872%0.717SS**  trans87.7132.2167.1-173.70000116.1
252P43.8Very low47.1Very low107 Ų107119.6 Ų119.670%0.69571%0.712SS**  cis-120.5-177.4-36.734.7-14.9000110.9
253P44.3Very low47.7Very low130 Ų130118.4 Ų118.484%0.84471%0.705SS**  trans-79.6134.5-170.230.6-34.7000114.9
254T42.8Very low49.4Very low122 Ų122114.6 Ų114.675%0.74869%0.693SS**  trans-136.9136.1163-57.90000106.8A256T254-A256 PolarHBondContact O-N 2.84Å; T254-A256 VanDerWaalsContact O-N 3.14Å
255P43.8Very low50.7Low114 Ų114112.3 Ų112.374%0.7468%0.677SS**  trans-65.8114-16422.7-33.9000113.7N257P255-N257 VanDerWaalsContact C-N 3.31Å; P255-N257 PolarHBondContact O-N 3.43Å
256A49.5Very low52.2Low92 Ų92114.1 Ų114.176%0.7667%0.673SS**  trans-82.163-175.900000113.2T254 G258T254-A256 PolarHBondContact O-N 2.84Å; T254-A256 VanDerWaalsContact O-N 3.14Å; A256-G258 VanDerWaalsContact C-N 3.28Å; A256-G258 PolarHBondContact O-N 2.91Å
257N48.4Very low53.6Low118 Ų118107.3 Ų107.363%0.63165%0.653SS**  trans-73.3-15179-80.1-1.6000114.4P255 S259 T261P255-N257 VanDerWaalsContact C-N 3.31Å; P255-N257 PolarHBondContact O-N 3.43Å; N257-S259 PolarHBondContact O-N 3.13Å; N257-T261 PolarHBondContact O-OG1 3.42Å
258G52.3Low55.5Low57 Ų57101 Ų10159%0.58863%0.634SS**Hα-helixtrans-71.2-30.4-16100000118.3A256 T261A256-G258 VanDerWaalsContact C-N 3.28Å; A256-G258 PolarHBondContact O-N 2.91Å; G258-T261 PolarHBondContact O-OG1 2.04Å; G258-T261 VanDerWaalsContact O-OG1 3.05Å
259S55Low57.8Low85 Ų85101.6 Ų101.659%0.59463%0.626SS**Hα-helixtrans-80.9-47178.564.60000111.6N257 T261 L262 D263N257-S259 PolarHBondContact O-N 3.13Å; S259-T261 PolarHBondContact O-N 3.39Å; S259-L262 WeakPolarHBondContact O-CB 3.17Å; S259-L262 PolarHBondContact O-N 2.03Å; S259-D263 PolarHBondContact O-N 3.35Å
260S54.7Low59.7Low55 Ų5597.6 Ų97.639%0.38560%0.604SS.*Hα-helixtrans-63.8-13.2-176.687.60000114K264S260-K264 VanDerWaalsContact O-CD 3.28Å; S260-K264 WeakPolarHBondContact O-CD 3.39Å; S260-K264 WeakPolarHBondContact O-CE 3.27Å; S260-K264 WeakPolarHBondContact O-CG 3.45Å; S260-K264 PolarHBondContact O-NZ 3.03Å; S260-K264 PolarHBondContact OG-NZ 2.85Å
261T57.2Low61.3Low75 Ų7599.3 Ų99.346%0.4660%0.6SS.*Hα-helixtrans-84.6-34.8170.346.50000112.7N257 G258 S259 K264 T265N257-T261 PolarHBondContact O-OG1 3.42Å; G258-T261 PolarHBondContact O-OG1 2.04Å; G258-T261 VanDerWaalsContact O-OG1 3.05Å; S259-T261 PolarHBondContact O-N 3.39Å; T261-K264 PolarHBondContact O-N 3.11Å; T261-T265 WeakPolarHBondContact O-CG2 3.31Å; T261-T265 PolarHBondContact O-N 2.9Å; T261-T265 PolarHBondContact O-OG1 3.08Å
262L55.7Low63.7Low118 Ų11897.2 Ų97.262%0.61858%0.583SS**Hα-helixtrans-63-50.9-179.4-167.978.5000110.7S259 K264 T265 L266S259-L262 WeakPolarHBondContact O-CB 3.17Å; S259-L262 PolarHBondContact O-N 2.03Å; L262-K264 VanDerWaalsContact C-N 3.29Å; L262-K264 PolarHBondContact O-N 3.34Å; L262-T265 PolarHBondContact O-N 3.32Å; L262-T265 VanDerWaalsContact O-N 3.13Å; L262-T265 PolarHBondContact O-OG1 3.02Å; L262-L266 PolarHBondContact O-N 2.99Å
263D62.3Low65.9Low102 Ų10299.1 Ų99.155%0.54558%0.577SS.*Hα-helixtrans-65.2-34.8-177.4-52.4-41.2000111.8S259 L266 A267S259-D263 PolarHBondContact O-N 3.35Å; D263-L266 PolarHBondContact O-N 3.47Å; D263-A267 PolarHBondContact O-N 2.8Å
264K72.9Confident68Low125 Ų12599.3 Ų99.354%0.54357%0.567SS.*Hα-helixtrans-61.3-49.8171.6-71.6179-169.4102.50111.1S260 T261 L262 L266 A267 E268S260-K264 VanDerWaalsContact O-CD 3.28Å; S260-K264 WeakPolarHBondContact O-CD 3.39Å; S260-K264 WeakPolarHBondContact O-CE 3.27Å; S260-K264 WeakPolarHBondContact O-CG 3.45Å; S260-K264 PolarHBondContact O-NZ 3.03Å; S260-K264 PolarHBondContact OG-NZ 2.85Å; T261-K264 PolarHBondContact O-N 3.11Å; L262-K264 VanDerWaalsContact C-N 3.29Å; L262-K264 PolarHBondContact O-N 3.34Å; K264-L266 VanDerWaalsContact C-N 3.27Å; K264-L266 PolarHBondContact O-N 3.12Å; K264-A267 PolarHBondContact O-N 2.91Å; K264-E268 VanDerWaalsContact O-CB 3.26Å; K264-E268 WeakPolarHBondContact O-CB 3.5Å; K264-E268 PolarHBondContact O-N 3.14Å
265T75Confident70.4Confident67 Ų67100.1 Ų100.141%0.41156%0.557SS.*Hα-helixtrans-63.4-31.417856.80000112.9T261 L262 N269T261-T265 WeakPolarHBondContact O-CG2 3.31Å; T261-T265 PolarHBondContact O-N 2.9Å; T261-T265 PolarHBondContact O-OG1 3.08Å; L262-T265 PolarHBondContact O-N 3.32Å; L262-T265 VanDerWaalsContact O-N 3.13Å; L262-T265 PolarHBondContact O-OG1 3.02Å; T265-N269 VanDerWaalsContact O-CB 3.24Å; T265-N269 WeakPolarHBondContact O-CB 3.47Å; T265-N269 PolarHBondContact O-N 3.1Å; T265-N269 PolarHBondContact O-ND2 2.85Å
266L77Confident72.6Confident127 Ų12799.5 Ų99.567%0.66554%0.544SS*.Hα-helixtrans-70.6-44176.3-169.965.1000111.8L262 D263 K264 A270L262-L266 PolarHBondContact O-N 2.99Å; D263-L266 PolarHBondContact O-N 3.47Å; K264-L266 VanDerWaalsContact C-N 3.27Å; K264-L266 PolarHBondContact O-N 3.12Å; L266-A270 WeakPolarHBondContact O-CB 3.33Å; L266-A270 PolarHBondContact O-N 3.35Å
267A78.8Confident74.5Confident54 Ų5499.8 Ų99.845%0.44653%0.529SS..Hα-helixtrans-65.3-41.8175.700000112.4D263 K264 A270 Q271D263-A267 PolarHBondContact O-N 2.8Å; K264-A267 PolarHBondContact O-N 2.91Å; A267-A270 PolarHBondContact O-N 2.83Å; A267-Q271 WeakPolarHBondContact O-CG 3.28Å; A267-Q271 PolarHBondContact O-N 3.37Å
268E82.7Confident76.4Confident116 Ų11699.6 Ų99.654%0.54253%0.525SS..Hα-helixtrans-63.1-44.7176.4-173.4177.117500111.7K264 A270 Q271 M272K264-E268 VanDerWaalsContact O-CB 3.26Å; K264-E268 WeakPolarHBondContact O-CB 3.5Å; K264-E268 PolarHBondContact O-N 3.14Å; E268-A270 PolarHBondContact O-N 2.85Å; E268-Q271 PolarHBondContact O-N 3.47Å; E268-M272 WeakPolarHBondContact O-CB 3.41Å; E268-M272 PolarHBondContact O-N 3.34Å
269N83.9Confident78.2Confident94 Ų94101.7 Ų101.750%0.50352%0.518SS..Hα-helixtrans-62.9-39.2174.6-76-31.2000112.5T265 M272 Y273T265-N269 VanDerWaalsContact O-CB 3.24Å; T265-N269 WeakPolarHBondContact O-CB 3.47Å; T265-N269 PolarHBondContact O-N 3.1Å; T265-N269 PolarHBondContact O-ND2 2.85Å; N269-M272 PolarHBondContact O-N 3.28Å; N269-Y273 PolarHBondContact O-N 2.87Å
270A87.1Confident79.8Confident49 Ų49104.2 Ų104.241%0.40552%0.52SS..Hα-helixtrans-64.8-43.9176.100000111.9L266 A267 E268 M272 Y273 H274L266-A270 WeakPolarHBondContact O-CB 3.33Å; L266-A270 PolarHBondContact O-N 3.35Å; A267-A270 PolarHBondContact O-N 2.83Å; E268-A270 PolarHBondContact O-N 2.85Å; A270-M272 PolarHBondContact O-N 3.15Å; A270-Y273 PolarHBondContact O-N 2.88Å; A270-H274 PolarHBondContact O-CD2 2.96Å; A270-H274 PolarHBondContact O-N 3.34Å
271Q84.1Confident81.1Confident146 Ų146106.7 Ų106.768%0.68253%0.526SS*.Hα-helixtrans-62-42.3174.2-72.2179.7-5.900111.8A267 E268 Y273 H274 Y275A267-Q271 WeakPolarHBondContact O-CG 3.28Å; A267-Q271 PolarHBondContact O-N 3.37Å; E268-Q271 PolarHBondContact O-N 3.47Å; Q271-Y273 VanDerWaalsContact C-N 3.35Å; Q271-Y273 PolarHBondContact O-N 3.01Å; Q271-H274 PolarHBondContact O-N 2.82Å; Q271-Y275 PolarHBondContact O-N 2.91Å; Q271-Y275 VanDerWaalsContact O-N 3.11Å
272M86.1Confident81.9Confident88 Ų88108.5 Ų108.543%0.43353%0.53SS..Hα-helixtrans-61.6-41.4176.1-166.4-171.3-56.400112E268 N269 A270 Y275 Q276E268-M272 WeakPolarHBondContact O-CB 3.41Å; E268-M272 PolarHBondContact O-N 3.34Å; N269-M272 PolarHBondContact O-N 3.28Å; A270-M272 PolarHBondContact O-N 3.15Å; M272-Y275 PolarHBondContact O-N 2.64Å; M272-Q276 HydrophobicContact CG-CG 4.4Å; M272-Q276 WeakPolarHBondContact O-CB 3.44Å; M272-Q276 VanDerWaalsContact O-CG 3.32Å; M272-Q276 WeakPolarHBondContact O-CG 3.3Å; M272-Q276 PolarHBondContact O-N 3.31Å; M272-Q276 PolarHBondContact SD-NE2 3.24Å; M272-Q276 VanDerWaalsContact SD-NE2 3.45Å
273Y89.5Confident83Confident148 Ų148108 Ų10858%0.5853%0.528SS*.Hα-helixtrans-61-47.7177.9-178.5-96.9000112.1N269 A270 Q271 Y275 Q276 H277N269-Y273 PolarHBondContact O-N 2.87Å; A270-Y273 PolarHBondContact O-N 2.88Å; Q271-Y273 VanDerWaalsContact C-N 3.35Å; Q271-Y273 PolarHBondContact O-N 3.01Å; Y273-Y275 PolarHBondContact O-N 2.99Å; Y273-Q276 PolarHBondContact O-N 3.08Å; Y273-H277 WeakPolarHBondContact O-CB 3.38Å; Y273-H277 PolarHBondContact O-N 3.2Å
274H90Very high83.5Confident133 Ų133107 Ų10762%0.61653%0.528SS*.Hα-helixtrans-60.8-43.2176.9-74.8-67.5000112.3A270 Q271 H277 Q278A270-H274 PolarHBondContact O-CD2 2.96Å; A270-H274 PolarHBondContact O-N 3.34Å; Q271-H274 PolarHBondContact O-N 2.82Å; H274-H277 PolarHBondContact O-N 3.38Å; H274-Q278 WeakPolarHBondContact O-CB 3.46Å; H274-Q278 PolarHBondContact O-N 3.33Å
275Y92.2Very high83.2Confident139 Ų139108 Ų10855%0.54554%0.537SS..Hα-helixtrans-64-42.8176.6179.2-99.6000112.6Q271 M272 Y273 K279Q271-Y275 PolarHBondContact O-N 2.91Å; Q271-Y275 VanDerWaalsContact O-N 3.11Å; M272-Y275 PolarHBondContact O-N 2.64Å; Y273-Y275 PolarHBondContact O-N 2.99Å; Y275-K279 HydrophobicContact CE1-CD 4.29Å; Y275-K279 VanDerWaalsContact O-CB 3.3Å; Y275-K279 WeakPolarHBondContact O-CB 3.46Å; Y275-K279 PolarHBondContact O-N 3.29Å
276Q90.2Very high82.5Confident101 Ų101107.8 Ų107.847%0.47255%0.549SS..Hα-helixtrans-63-43.6176.3-74.6-179.81000111.9M272 Y273 K279 Q280M272-Q276 HydrophobicContact CG-CG 4.4Å; M272-Q276 WeakPolarHBondContact O-CB 3.44Å; M272-Q276 VanDerWaalsContact O-CG 3.32Å; M272-Q276 WeakPolarHBondContact O-CG 3.3Å; M272-Q276 PolarHBondContact O-N 3.31Å; M272-Q276 PolarHBondContact SD-NE2 3.24Å; M272-Q276 VanDerWaalsContact SD-NE2 3.45Å; Y273-Q276 PolarHBondContact O-N 3.08Å; Q276-K279 PolarHBondContact O-N 3.47Å; Q276-Q280 PolarHBondContact O-N 3.35Å
277H89.6Confident81.5Confident98 Ų98106.3 Ų106.345%0.45455%0.549SS..Hα-helixtrans-62.9-48.2177.6-171.5-76.5000111.8Y273 H274 K279 Q280 Q281Y273-H277 WeakPolarHBondContact O-CB 3.38Å; Y273-H277 PolarHBondContact O-N 3.2Å; H274-H277 PolarHBondContact O-N 3.38Å; H277-K279 VanDerWaalsContact C-N 3.29Å; H277-K279 PolarHBondContact O-N 3.35Å; H277-Q280 PolarHBondContact O-N 3.16Å; H277-Q281 PolarHBondContact O-N 3.33Å
278Q87.4Confident80.2Confident114 Ų114112.2 Ų112.253%0.53357%0.567SS.*Hα-helixtrans-59.7-40.9176.1-171-178.39.500111.5H274 Q281 M282H274-Q278 WeakPolarHBondContact O-CB 3.46Å; H274-Q278 PolarHBondContact O-N 3.33Å; Q278-Q281 PolarHBondContact O-N 3.47Å; Q278-M282 HydrophobicContact CG-CE 4.38Å; Q278-M282 WeakPolarHBondContact O-CG 3.46Å; Q278-M282 PolarHBondContact O-N 3.4Å
279K91.9Very high78.4Confident101 Ų101114.9 Ų114.944%0.43958%0.576SS.*Hα-helixtrans-65.4-41.8177-172.6173.1-178.3174.90112.6Y275 Q276 H277 Q281 M282 L283Y275-K279 HydrophobicContact CE1-CD 4.29Å; Y275-K279 VanDerWaalsContact O-CB 3.3Å; Y275-K279 WeakPolarHBondContact O-CB 3.46Å; Y275-K279 PolarHBondContact O-N 3.29Å; Q276-K279 PolarHBondContact O-N 3.47Å; H277-K279 VanDerWaalsContact C-N 3.29Å; H277-K279 PolarHBondContact O-N 3.35Å; K279-Q281 VanDerWaalsContact C-N 3.35Å; K279-M282 PolarHBondContact O-N 2.91Å; K279-L283 HydrophobicContact CG-CD1 4.15Å; K279-L283 VanDerWaalsContact O-CG 3.28Å; K279-L283 WeakPolarHBondContact O-CG 3.31Å; K279-L283 PolarHBondContact O-N 2.91Å
280Q86.7Confident76.7Confident138 Ų138116 Ų11665%0.64559%0.589SS**Hα-helixtrans-62.7-41.9174.3-76.3-176.2-10.800111.8Q276 H277 M282 L283 S284Q276-Q280 PolarHBondContact O-N 3.35Å; H277-Q280 PolarHBondContact O-N 3.16Å; Q280-M282 PolarHBondContact O-N 3Å; Q280-L283 PolarHBondContact O-N 2.85Å; Q280-S284 PolarHBondContact O-N 2.9Å; Q280-S284 PolarHBondContact O-OG 3.22Å
281Q82.9Confident74.6Confident107 Ų107121.9 Ų121.950%0.561%0.608SS.*Hα-helixtrans-64.2-37.2177.2-169.7174.94.200112.7H277 Q278 K279 S284 M285H277-Q281 PolarHBondContact O-N 3.33Å; Q278-Q281 PolarHBondContact O-N 3.47Å; K279-Q281 VanDerWaalsContact C-N 3.35Å; Q281-S284 PolarHBondContact O-OG 3.13Å; Q281-S284 VanDerWaalsContact O-OG 3.09Å; Q281-M285 VanDerWaalsContact O-CG 3.26Å; Q281-M285 WeakPolarHBondContact O-CG 3.43Å; Q281-M285 PolarHBondContact O-N 3.36Å
282M74.1Confident72.5Confident113 Ų113123.4 Ų123.456%0.55762%0.615SS**Hα-helixtrans-68.9-36.1172.6-70.4-172.8-62.700112.6Q278 K279 Q280 G286Q278-M282 HydrophobicContact CG-CE 4.38Å; Q278-M282 WeakPolarHBondContact O-CG 3.46Å; Q278-M282 PolarHBondContact O-N 3.4Å; K279-M282 PolarHBondContact O-N 2.91Å; Q280-M282 PolarHBondContact O-N 3Å; M282-G286 WeakPolarHBondContact O-CA 3.35Å; M282-G286 PolarHBondContact O-N 3.37Å
283L78.2Confident70Confident109 Ų109129.1 Ų129.157%0.57164%0.638SS**Hα-helixtrans-71.4-37178.7-71.7167.6000112.8K279 Q280 S287K279-L283 HydrophobicContact CG-CD1 4.15Å; K279-L283 VanDerWaalsContact O-CG 3.28Å; K279-L283 WeakPolarHBondContact O-CG 3.31Å; K279-L283 PolarHBondContact O-N 2.91Å; Q280-L283 PolarHBondContact O-N 2.85Å; L283-S287 PolarHBondContact O-OG 3.21Å
284S72.9Confident67.4Low79 Ų79125.3 Ų125.355%0.55264%0.644SS**Hα-helixtrans-69.1-39.8175.158.80000112.3Q280 Q281Q280-S284 PolarHBondContact O-N 2.9Å; Q280-S284 PolarHBondContact O-OG 3.22Å; Q281-S284 PolarHBondContact O-OG 3.13Å; Q281-S284 VanDerWaalsContact O-OG 3.09Å
285M66.2Low65Low146 Ų146126.5 Ų126.572%0.71965%0.654SS**Hα-helixtrans-74.8-34.3176.7-64.1-63.2-176.700113Q281 S287Q281-M285 VanDerWaalsContact O-CG 3.26Å; Q281-M285 WeakPolarHBondContact O-CG 3.43Å; Q281-M285 PolarHBondContact O-N 3.36Å; M285-S287 PolarHBondContact O-N 2.87Å
286G62Low62.4Low64 Ų64127 Ų12766%0.6667%0.666SS**THydrogen-bonded Turntrans-75.6-2-177.400000115.7M282 H288M282-G286 WeakPolarHBondContact O-CA 3.35Å; M282-G286 PolarHBondContact O-N 3.37Å; G286-H288 VanDerWaalsContact C-N 3.35Å; G286-H288 PolarHBondContact O-N 2.95Å
287S54.2Low59.9Low96 Ų96127.4 Ų127.467%0.67169%0.686SS**THydrogen-bonded Turntrans-86.63.4-174.3-66.50000114.7L283 M285 K289L283-S287 PolarHBondContact O-OG 3.21Å; M285-S287 PolarHBondContact O-N 2.87Å; S287-K289 PolarHBondContact O-N 2.89Å
288H51.9Low57.6Low178 Ų178131.9 Ų131.982%0.82471%0.707SS**  trans-90.476.4172.6-86.4-78.2000112.5G286G286-H288 VanDerWaalsContact C-N 3.35Å; G286-H288 PolarHBondContact O-N 2.95Å
289K44.7Very low55.3Low171 Ų171130 Ų13074%0.74371%0.711SS**  trans-78.8124.4161.1-172.6-175.4178.9-168.10108.9S287 E291S287-K289 PolarHBondContact O-N 2.89Å; K289-E291 PolarHBondContact O-N 2.94Å
290P48Very low52.6Low119 Ų119131.3 Ų131.377%0.77373%0.728SS**  trans-74.4119.4175.629-32.9000110.6
291E44.8Very low50.3Low172 Ų172129.6 Ų129.680%0.80473%0.731SS**  trans-101.7100.8167.8-72.2-144.3124.200111.1K289K289-E291 PolarHBondContact O-N 2.94Å
292Q39.8Very low48.2Very low178 Ų178130.9 Ų130.983%0.83274%0.741SS**  trans-168.3110.3144.9-114.2175.55.200113.5
293K32.5Very low46.9Very low208 Ų208133.1 Ų133.190%0.90475%0.75SS**  trans59.5146163.4-59.5176.9176.3179.20117.3
294G36Very low45.6Very low68 Ų68137.2 Ų137.270%0.70177%0.766SS**  cis132.9140-3.900000112.3
295L39.2Very low44.4Very low158 Ų158142.6 Ų142.683%0.82778%0.783SS**  trans8598.6-178.2-50.5176.4000116.7
296D37.8Very low43.9Very low150 Ų150142.9 Ų142.980%0.80279%0.793SS**  56.2114118.9-41.6-23.8000121.4
297A37.5Very low43.2Very low108 Ų108143 Ų14389%0.89379%0.794SS**  trans-151.2129.7142.300000109.2
298E40.3Very low43.3Very low193 Ų193142.7 Ų142.790%0.90281%0.806SS**  trans-116159.7-179.5-171.1173.394.600110.6
299A39.6Very low43.1Very low73 Ų73137.1 Ų137.160%0.60380%0.796SS**  trans92.9133.6153.100000121.5
300T35Very low43.4Very low130 Ų130138.1 Ų138.180%0.79880%0.801SS**  trans74.3136.914756.70000123.2
301S38.1Very low43.7Very low102 Ų102138.8 Ų138.871%0.71380%0.803SS**  trans65.5160.3139.6-78.50000120.3
302D38.9Very low44.7Very low134 Ų134135.2 Ų135.272%0.71779%0.792SS**  cis-157.6-171.9-19.8-121.234.2000109.2
303E46.3Very low45.4Very low160 Ų160135.8 Ų135.875%0.74879%0.789SS**  trans-29.8143.2174.8-27.1-67.2-145.200119.5
304E51.8Low46.9Very low194 Ų194134.2 Ų134.291%0.90778%0.784SS**  trans30.4116.2149.2-56.2-164.7147.700122.7
305E48.6Very low47.9Very low192 Ų192136.3 Ų136.390%0.89779%0.787SS**  trans-142.5138.2134.8-167.4171.8172.100111.9G307E305-G307 PolarHBondContact O-N 2.89Å
306V54.5Low49.1Very low153 Ų153134.2 Ų134.293%0.92778%0.783SS**  trans-85.986.1-1801790000110.8
307G48.4Very low49.8Very low66 Ų66130.4 Ų130.468%0.6878%0.779SS**  trans-104.8118.7174.300000113.1E305 G309E305-G307 PolarHBondContact O-N 2.89Å; G307-G309 PolarHBondContact O-N 3.35Å
308G55.9Low50.6Low90 Ų90133.7 Ų133.793%0.92878%0.781SS**  trans-73.494.3-177.300000114.4
309G48.2Very low51.3Low60 Ų60128.2 Ų128.262%0.61977%0.769SS**  trans-104.991173.500000113.3G307 T311G307-G309 PolarHBondContact O-N 3.35Å; G309-T311 PolarHBondContact O-N 3.42Å
310F50.3Low52.1Low193 Ų193130.9 Ų130.985%0.84678%0.78SS**  trans-74.574.3174177.7-105.6000110.7V312F310-V312 HydrophobicContact CD1-CB 4.5Å; F310-V312 HydrophobicContact CD1-CG2 4.08Å; F310-V312 HydrophobicContact CE1-CB 4.08Å; F310-V312 HydrophobicContact CE1-CG2 3.39Å; F310-V312 HydrophobicContact CE2-CG2 3.88Å; F310-V312 HydrophobicContact CZ-CB 4.42Å; F310-V312 HydrophobicContact CZ-CG2 3.29Å; F310-V312 PolarHBondContact O-N 2.91Å
311T53.7Low53.2Low133 Ų133131.9 Ų131.982%0.81679%0.786SS**  trans-78.568.3177.756.80000111.3G309 Y313G309-T311 PolarHBondContact O-N 3.42Å; T311-Y313 PolarHBondContact O-N 3.24Å
312V67.3Low54.5Low96 Ų96129.6 Ų129.658%0.58278%0.778SS**  trans-59.1118.3154.3161.60000106.9F310 E314F310-V312 HydrophobicContact CD1-CB 4.5Å; F310-V312 HydrophobicContact CD1-CG2 4.08Å; F310-V312 HydrophobicContact CE1-CB 4.08Å; F310-V312 HydrophobicContact CE1-CG2 3.39Å; F310-V312 HydrophobicContact CE2-CG2 3.88Å; F310-V312 HydrophobicContact CZ-CB 4.42Å; F310-V312 HydrophobicContact CZ-CG2 3.29Å; F310-V312 PolarHBondContact O-N 2.91Å; V312-E314 PolarHBondContact O-N 3.01Å; V312-E314 VanDerWaalsContact O-N 3.12Å
313Y52.6Low55.9Low191 Ų191131.8 Ų131.875%0.74978%0.784SS**  trans-63.6113.2171.1-177.8-91.2000108.1T311 C315T311-Y313 PolarHBondContact O-N 3.24Å; Y313-C315 PolarHBondContact O-N 3.48Å
314E64Low56.7Low174 Ų174132.1 Ų132.181%0.81379%0.788SS**  trans-68.4104.3-173.1-149.7175.4-168.600109.4V312 P316V312-E314 PolarHBondContact O-N 3.01Å; V312-E314 VanDerWaalsContact O-N 3.12Å; E314-P316 WeakPolarHBondContact O-CD 3.34Å; E314-P316 VanDerWaalsContact O-N 3.12Å
315C58.8Low57.6Low113 Ų113129.6 Ų129.676%0.76478%0.776SS**  trans-59.9112.8179.6-74.30000110Y313 G317Y313-C315 PolarHBondContact O-N 3.48Å; C315-G317 PolarHBondContact O-N 2.92Å
316P62.8Low58.7Low113 Ų113126.2 Ų126.273%0.73477%0.768SS**  trans-69.8120.4-172-20.534000111.6E314E314-P316 WeakPolarHBondContact O-CD 3.34Å; E314-P316 VanDerWaalsContact O-N 3.12Å
317G54.3Low59.4Low71 Ų71125.4 Ų125.473%0.73275%0.752SS**  trans69.294.2166.700000115.3C315C315-G317 PolarHBondContact O-N 2.92Å
318L53Low60.2Low176 Ų176126 Ų12692%0.92174%0.74SS**PPolyproline II helixtrans-54.1147.5147-72.1170.5000109.1
319A55.7Low60.9Low79 Ų79127.3 Ų127.365%0.65373%0.732SS**PPolyproline II helixtrans-54.4146.4-172.800000112.3T321A319-T321 PolarHBondContact O-N 3.1Å
320P55.4Low61.4Low129 Ų129131.2 Ų131.284%0.83874%0.738SS**PPolyproline II helixtrans-55117.4177.6-24.333.6000111G322P320-G322 PolarHBondContact O-N 3.25Å
321T58.8Low61.9Low151 Ų151129.4 Ų129.493%0.92673%0.73SS**  trans-7759.2172.353.60000110.2A319A319-T321 PolarHBondContact O-N 3.1Å
322G66.3Low62.2Low53 Ų53129.4 Ų129.455%0.54673%0.725SS.*  trans-80.7143.2162.700000109.6P320 M324P320-G322 PolarHBondContact O-N 3.25Å; G322-M324 PolarHBondContact O-N 3.36Å
323E67.8Low61.7Low181 Ų181132.5 Ų132.585%0.84674%0.738SS**  trans-67.595.8179.259-127.9132.600111.6E325E323-E325 VanDerWaalsContact C-N 3.27Å; E323-E325 PolarHBondContact O-N 3.37Å
324M63.7Low62Low167 Ų167128.5 Ų128.582%0.82374%0.738SS**  trans-77.978.3179.3-169.916764.200110.7G322 V326G322-M324 PolarHBondContact O-N 3.36Å; M324-V326 HydrophobicContact CG-CG2 4.35Å; M324-V326 PolarHBondContact O-N 2.86Å
325E69.7Low61.5Low140 Ų140126.4 Ų126.465%0.65474%0.738SS**  trans-63.294.9171.4-69.2-166.3128.600111.1E323 K327E323-E325 VanDerWaalsContact C-N 3.27Å; E323-E325 PolarHBondContact O-N 3.37Å; E325-K327 HydrophobicContact CB-CD 4.3Å; E325-K327 VanDerWaalsContact CD-NZ 3.26Å; E325-K327 PolarHBondContact O-N 3.01Å; E325-K327 IonicContact OE1-NZ 3.19Å; E325-K327 PolarHBondContact OE1-NZ 3.08Å; E325-K327 IonicContact OE2-NZ 3.27Å; E325-K327 PolarHBondContact OE2-NZ 3.26Å
326V71.3Confident61Low121 Ų121126.4 Ų126.473%0.73374%0.736SS**  trans-74.579.8171.7-173.10000109.4M324 N328M324-V326 HydrophobicContact CG-CG2 4.35Å; M324-V326 PolarHBondContact O-N 2.86Å; V326-N328 PolarHBondContact O-N 3.17Å
327K70.1Confident60Low137 Ų137128.7 Ų128.760%0.59674%0.742SS**  trans-55.8119.4165-101.673.4171.5174.20108.6E325 P329E325-K327 HydrophobicContact CB-CD 4.3Å; E325-K327 VanDerWaalsContact CD-NZ 3.26Å; E325-K327 PolarHBondContact O-N 3.01Å; E325-K327 IonicContact OE1-NZ 3.19Å; E325-K327 PolarHBondContact OE1-NZ 3.08Å; E325-K327 IonicContact OE2-NZ 3.27Å; E325-K327 PolarHBondContact OE2-NZ 3.26Å; K327-P329 WeakPolarHBondContact O-CD 3.34Å
328N65.5Low59.4Low79 Ų79135.5 Ų135.542%0.42275%0.747SS.*  trans-83.8119.3168.9177.536.4000108.9V326 L330 F331V326-N328 PolarHBondContact O-N 3.17Å; N328-L330 WeakPolarHBondContact ND2-CB 3.46Å; N328-L330 PolarHBondContact O-N 2.99Å; N328-F331 HydrophobicContact CB-CD2 4.17Å; N328-F331 WeakPolarHBondContact ND2-CD2 3.26Å; N328-F331 VanDerWaalsContact ND2-CE2 3.33Å; N328-F331 WeakPolarHBondContact ND2-CE2 3.5Å; N328-F331 PolarHBondContact O-N 3.17Å
329P69.4Low58.6Low116 Ų116136.7 Ų136.775%0.75375%0.748SS**THydrogen-bonded Turntrans-65.210.4-178.8-22.134.7000116.2K327K327-P329 WeakPolarHBondContact O-CD 3.34Å
330L59.6Low57.4Low143 Ų143136.2 Ų136.275%0.74975%0.751SS**THydrogen-bonded Turntrans-104.8-5.2173.2-12775.2000113.2N328N328-L330 WeakPolarHBondContact ND2-CB 3.46Å; N328-L330 PolarHBondContact O-N 2.99Å
331F60.3Low56.9Low154 Ų154136.8 Ų136.868%0.67575%0.745SS**  trans-134.887.8-179-58.1-51.5000110.7N328N328-F331 HydrophobicContact CB-CD2 4.17Å; N328-F331 WeakPolarHBondContact ND2-CD2 3.26Å; N328-F331 VanDerWaalsContact ND2-CE2 3.33Å; N328-F331 WeakPolarHBondContact ND2-CE2 3.5Å; N328-F331 PolarHBondContact O-N 3.17Å
332D61Low56.2Low134 Ų134134.8 Ų134.872%0.71774%0.735SS**  trans-98.8116.3164.9-76.1-46.8000109.1S334D332-S334 PolarHBondContact O-N 3.47Å
333D56.9Low54.9Low161 Ų161138.3 Ų138.386%0.86174%0.741SS**  trans-74.939.8-178.3-68.2-49.6000113.7T335D333-T335 VanDerWaalsContact C-N 3.31Å; D333-T335 PolarHBondContact O-N 2.83Å
334S58Low53.4Low106 Ų106138.7 Ų138.774%0.74174%0.743SS**  trans-89.643.1-173.9-64.10000114D332D332-S334 PolarHBondContact O-N 3.47Å
335T53.8Low52.1Low131 Ų131133.9 Ų133.980%0.80474%0.736SS**  trans-144.2104167.355.60000110.8D333D333-T335 VanDerWaalsContact C-N 3.31Å; D333-T335 PolarHBondContact O-N 2.83Å
336P48.8Very low50.5Low112 Ų112136.5 Ų136.573%0.72775%0.748SS**  -127.6172.4103.240.5-33.2000110.5
337D40.9Very low48.9Very low161 Ų161135.6 Ų135.686%0.86175%0.753SS**  cis-130.116032.8-82.8-52.1000115.7
338Y40.8Very low47.4Very low214 Ų214133.9 Ų133.984%0.83976%0.758SS**  trans-126.6117.4175.9-154.6-76.4000108.9
339Q37.1Very low46.4Very low201 Ų201137.6 Ų137.694%0.93978%0.775SS**  trans-148.5130.5174.9-156.2173.559.300112.5
340G31.6Very low44.9Very low69 Ų69138.8 Ų138.871%0.71178%0.775SS**  trans109.787.9170.600000115.6
341I43.3Very low44.3Very low142 Ų142142.9 Ų142.973%0.72878%0.781SS**  trans-103.9137.2157.5-59.7176.6000107.6
342P44.4Very low43.2Very low109 Ų109141.4 Ų141.471%0.70879%0.789SS**  trans-135.6117.1134.732.7-19.2000113.6
343N38.6Very low42.2Very low126 Ų126139.3 Ų139.367%0.67479%0.791SS**  trans40.5121.4143.9-47-44.1000120.9
344H37.8Very low41.4Very low190 Ų190137.1 Ų137.188%0.8879%0.788SS**  172.6150.797.1-95.8-75.2000113.4
345G35.3Very low40.6Very low66 Ų66141 Ų14168%0.6880%0.797SS**  trans82.495.1169.300000114.4
346E35.4Very low39.8Very low195 Ų195140.3 Ų140.391%0.91180%0.796SS**  82136.861.2-71.9-142.483.600116.3
347A39.5Very low39.5Very low102 Ų102141 Ų14184%0.84380%0.798SS**  trans66.3146.5169.500000118.7
348S37.7Very low39.5Very low100 Ų100144.8 Ų144.870%0.69980%0.8SS**  cis-166175.6-26.8-159.10000110.5
349M45.1Very low39.5Very low158 Ų158142.7 Ų142.778%0.77880%0.797SS**  trans-17.4153.8161.2-8475.3161.500119.1
350D37.2Very low39.8Very low141 Ų141139.5 Ų139.575%0.75479%0.792SS**  cis-157.7-1715.1-138.4-51000113.2
351R46.7Very low40.6Very low228 Ų228140.9 Ų140.986%0.8680%0.796SS**  trans-86.8162.6179.8-63.4167.3154.8-177.4-6.3115.3
352S36.8Very low40.4Very low123 Ų123142 Ų14286%0.8680%0.804SS**  trans106.6167.3130.9-149.40000119.9
353A40Very low40Very low91 Ų91139.9 Ų139.975%0.75280%0.801SS**  trans75.492.3166.100000119.7
354S41.4Very low39.9Very low115 Ų115137.8 Ų137.880%0.80481%0.809SS**  trans-53.3142.7155.1131.80000113.4
355M40.9Very low40.1Very low188 Ų188140.4 Ų140.493%0.92681%0.811SS**  trans-151.2151.7141.1-137.8176.2-171.100113.8
356C37.4Very low40.2Very low115 Ų115140.4 Ų140.478%0.77781%0.811SS**  trans-89.4142.1-177.2-52.40000112.7
357V42.3Very low40.5Very low126 Ų126139.6 Ų139.676%0.76481%0.808SS**  trans-140.5129.2143.5176.60000109.2
358R40.6Very low40.7Very low242 Ų242139.8 Ų139.891%0.91380%0.803SS**  trans-93.1140.1158.1-72.4179.5173.6127.4-5.3107.6
359H40.6Very low41Very low169 Ų169142.4 Ų142.478%0.78281%0.809SS**  trans-127.5115.3158.8-109.7-67.5000111.7
360V43.3Very low41.1Very low135 Ų135142.9 Ų142.982%0.81881%0.807SS**  trans-101.2142.6152.2174.30000105.8
361A47.7Very low42.2Very low97 Ų97142.1 Ų142.180%0.80281%0.81SS**  trans-149.6139.7167.200000108.6
362D39.8Very low42.5Very low167 Ų167135.6 Ų135.689%0.89380%0.799SS**  trans-143.3160.5-173.6178.427.3000108.9
363G35.9Very low43.2Very low63 Ų63140.3 Ų140.365%0.64982%0.823SS**  trans108.151.2147.500000122.1
364G36.7Very low43.4Very low82 Ų82142.8 Ų142.885%0.84583%0.826SS**  trans64.3-163.8148.600000118.8
365R41.2Very low43.5Very low246 Ų246144.2 Ų144.293%0.92883%0.827SS**  cis-161.9141.7-11.5-179.3-172.6-65.2-123.81.1110.6
366G38.5Very low43.7Very low66 Ų66141.8 Ų141.868%0.6882%0.822SS**  trans84.9165.316100000116.3
367E41Very low44Very low178 Ų178143.4 Ų143.483%0.83283%0.825SS**  cis-165.2160.4-13.2-164.7150.9104.300109.7
368S43.1Very low44.1Very low106 Ų106144.4 Ų144.474%0.74183%0.828SS**  trans60.4148.9174.643.80000116.9
369D45.7Very low44.4Very low154 Ų154137.9 Ų137.982%0.82482%0.823SS**  cis-152.2174.528.8-135.8-31.8000114.5
370F46.7Very low44.6Very low168 Ų168135.7 Ų135.774%0.73783%0.826SS**  trans-85.5162.9176-110.3-96000112.5S372F370-S372 WeakPolarHBondContact CE1-OG 3.44Å
371P59.9Low44.7Very low126 Ų126135.8 Ų135.882%0.81883%0.826SS**  -144.4160.898.738.6-24.6000115.1
372S53.5Low44.5Very low90 Ų90139 Ų13963%0.62983%0.828SS**  trans-113.9132.5171-56.70000111F370F370-S372 WeakPolarHBondContact CE1-OG 3.44Å
373T51.9Low44.9Very low222 Ų222136.5 Ų136.5100%1.36282%0.822SS**  trans-161.401399.70000111

Retrieved 373 of 373 residues in 433 ms (Link to these results)