A0A087YCG8_POEFO Loading...

INO80 complex subunit E

AlphaFold DB , UniProt , Accession A0A087YCG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 256 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
1M44.5Very low50.1Low248 Ų248179.2 Ų179.2100%1.22286%0.864SS**  096.30-77.4170175.400108.2
2L46.3Very low49.5Very low161 Ų161179.6 Ų179.684%0.84387%0.867SS**  trans-75132165.5-107.571000107.5
3W46.9Very low49.3Very low257 Ų257172.8 Ų172.897%0.97385%0.85SS**  trans-160.8109.5134.7-109.525000110
4S45.5Very low49.3Very low106 Ų106173.9 Ų173.974%0.74185%0.852SS**  trans-60.6127.7175-530000110.5T6S4-T6 PolarHBondContact O-N 3.45Å
5K51.1Low49Very low194 Ų194176.6 Ų176.684%0.84385%0.849SS**  trans-72.2106.4164.5-81.9175.9175.9175.60108.5H7K5-H7 PolarHBondContact O-N 3.19Å; K5-H7 PolarHBondContact O-ND1 3.36Å
6T57.4Low48.7Very low123 Ų123172.5 Ų172.576%0.75584%0.841SS**  trans-58121.9171.139.90000109.9S4 V8S4-T6 PolarHBondContact O-N 3.45Å; T6-V8 PolarHBondContact O-N 3.14Å
7H51.7Low48.5Very low176 Ų176170.8 Ų170.882%0.81584%0.843SS**  trans-73.9112.2168.5-75.755000108K5 N9K5-H7 PolarHBondContact O-N 3.19Å; K5-H7 PolarHBondContact O-ND1 3.36Å; H7-N9 PolarHBondContact O-N 3.34Å; H7-N9 VanDerWaalsContact O-N 3.14Å
8V53.6Low48.6Very low131 Ų131171.4 Ų171.479%0.79484%0.844SS**  trans-78.797.8168.81740000107.9T6 K10T6-V8 PolarHBondContact O-N 3.14Å; V8-K10 PolarHBondContact O-N 3.07Å
9N43.9Very low48.6Very low144 Ų144166.9 Ų166.977%0.7784%0.837SS**  trans-57.8103.2164.7-92.2-19.4000109.7H7H7-N9 PolarHBondContact O-N 3.34Å; H7-N9 VanDerWaalsContact O-N 3.14Å
10K57.9Low48.5Very low206 Ų206170.3 Ų170.390%0.89684%0.839SS**  trans-98.865.2164.8-164168.6-177.4175.30109.6V8V8-K10 PolarHBondContact O-N 3.07Å
11R52.3Low48.7Very low225 Ų225171.8 Ų171.885%0.84984%0.844SS**  trans-101.9125.5150.9-70.1-168-155.1-155.45.6105.8
12M43.1Very low48.9Very low184 Ų184167.8 Ų167.891%0.90682%0.824SS**  172.2140128-90-173.687.200111.5
13S46.9Very low48.9Very low91 Ų91165.4 Ų165.464%0.63681%0.813SS**  trans7988.6159.4-142.30000117.3R15S13-R15 PolarHBondContact O-N 3.34Å
14Q48.4Very low48.9Very low189 Ų189157 Ų15788%0.88381%0.806SS**  trans-39.8124.8130.9-65.5175.9-600109.6
15R45.5Very low48.8Very low214 Ų214157.6 Ų157.681%0.80880%0.796SS**  trans-131.7111.9142.5-72.8-169.8-167.5-169.44.1105.1S13 T17S13-R15 PolarHBondContact O-N 3.34Å; R15-T17 PolarHBondContact O-N 3.49Å
16P44.7Very low48.7Very low111 Ų111153.6 Ų153.672%0.72179%0.788SS**  trans-62.5123.4160.426.8-28.5000105.9Q18P16-Q18 PolarHBondContact O-N 3.25Å
17T44.5Very low48.5Very low144 Ų144154.9 Ų154.988%0.88379%0.791SS**  trans-68.372.9167.3450000108.3R15 A19R15-T17 PolarHBondContact O-N 3.49Å; T17-A19 PolarHBondContact O-N 3.33Å
18Q50.5Low48.4Very low182 Ų182151.2 Ų151.285%0.8578%0.78SS**  trans-83.887.1165.4-175.9-178.154.300106.4P16P16-Q18 PolarHBondContact O-N 3.25Å
19A49.4Very low48.4Very low86 Ų86152.3 Ų152.371%0.71178%0.777SS**  trans174.263.7158.500000110T17T17-A19 PolarHBondContact O-N 3.33Å
20R46.7Very low49.5Very low234 Ų234146.5 Ų146.588%0.88375%0.747SS**  trans-14140.3150.1-155.1179.7174.3-171.4-3111
21E50.8Low50.8Low201 Ų201140 Ų14094%0.93972%0.722SS**  trans-97.259.5152.7-67.8-178-179.800106.6
22M50.6Low52.8Low164 Ų164137.3 Ų137.381%0.80871%0.713SS**  trans-94.8105.3165.8-68.6-176.973.100106
23N44.8Very low55.1Low112 Ų112136.3 Ų136.360%0.59970%0.704SS**  trans87.985.3153.2-138.219.2000115.5Q25N23-Q25 HydrophobicContact CB-CB 4.37Å; N23-Q25 WeakPolarHBondContact ND2-CB 3.42Å; N23-Q25 PolarHBondContact ND2-OE1 2.76Å; N23-Q25 PolarHBondContact O-N 2.93Å
24G48Very low57.4Low80 Ų80139.7 Ų139.783%0.82570%0.702SS**  trans-63.162.7148.600000111T26G24-T26 VanDerWaalsContact C-N 3.35Å
25Q43.4Very low59.7Low118 Ų118136.5 Ų136.555%0.55169%0.685SS**  trans-105.633.5169.1-164.3171.1-20.300109.4N23 D27N23-Q25 HydrophobicContact CB-CB 4.37Å; N23-Q25 WeakPolarHBondContact ND2-CB 3.42Å; N23-Q25 PolarHBondContact ND2-OE1 2.76Å; N23-Q25 PolarHBondContact O-N 2.93Å; Q25-D27 VanDerWaalsContact C-N 3.34Å
26T49.4Very low62.1Low110 Ų110133.4 Ų133.468%0.67568%0.675SS**  trans-85.4-8.7175.643.10000112.6G24 V28G24-T26 VanDerWaalsContact C-N 3.35Å; T26-V28 VanDerWaalsContact C-N 3.28Å; T26-V28 PolarHBondContact O-N 2.95Å
27D51.8Low64.6Low150 Ų150134.5 Ų134.580%0.80267%0.668SS**SBendtrans-75.3-17.7175.1-164.734.9000112.8Q25Q25-D27 VanDerWaalsContact C-N 3.34Å
28V50.8Low67.1Low99 Ų99130.3 Ų130.360%0.664%0.64SS**SBendtrans-116.4-4.6-179.7-169.50000113T26 V30T26-V28 VanDerWaalsContact C-N 3.28Å; T26-V28 PolarHBondContact O-N 2.95Å; V28-V30 PolarHBondContact O-N 3.03Å
29E53.3Low69.4Low154 Ų154127.2 Ų127.272%0.7263%0.629SS**SBendtrans-72.766.8149.7-167.9162.8-160.700107.4D31E29-D31 PolarHBondContact O-N 3.46Å
30V67.4Low71.7Confident23 Ų23128.2 Ų128.214%0.13962%0.618CS.*  trans-39.7119.5169162.80000106.4V28 Y32 K35V28-V30 PolarHBondContact O-N 3.03Å; V30-Y32 HydrophobicContact CB-CD1 4.19Å; V30-Y32 HydrophobicContact CB-CD2 3.98Å; V30-Y32 HydrophobicContact CB-CE1 3.85Å; V30-Y32 HydrophobicContact CB-CE2 3.62Å; V30-Y32 HydrophobicContact CB-CG 4.23Å; V30-Y32 HydrophobicContact CG1-CD1 3.45Å; V30-Y32 VanDerWaalsContact CG1-CD1 3.45Å; V30-Y32 HydrophobicContact CG1-CD2 3.98Å; V30-Y32 HydrophobicContact CG1-CE1 3.46Å; V30-Y32 VanDerWaalsContact CG1-CE1 3.46Å; V30-Y32 HydrophobicContact CG1-CE2 3.99Å; V30-Y32 HydrophobicContact CG1-CG 3.7Å; V30-Y32 WeakPolarHBondContact O-CD2 3.45Å; V30-Y32 WeakPolarHBondContact O-CE2 3.15Å; V30-Y32 PolarHBondContact O-N 3.34Å; V30-K35 HydrophobicContact CG1-CD 3.32Å; V30-K35 HydrophobicContact CG1-CG 3.99Å
31D83.6Confident74.2Confident70 Ų70123.1 Ų123.137%0.37460%0.598SS.*  trans-65.977.9171.7-175-10.7000107.2E29 K33 R34 K35E29-D31 PolarHBondContact O-N 3.46Å; D31-K33 PolarHBondContact O-N 2.84Å; D31-R34 HydrophobicContact CB-CB 3.85Å; D31-R34 CarbonylContact O-C 3.56Å; D31-R34 WeakPolarHBondContact O-CA 3.42Å; D31-R34 WeakPolarHBondContact O-CB 3.44Å; D31-R34 PolarHBondContact O-N 2.9Å; D31-R34 WeakPolarHBondContact OD1-CB 3.44Å; D31-R34 PolarHBondContact OD1-N 2.96Å; D31-R34 WeakPolarHBondContact OD2-CB 3.46Å; D31-R34 IonicContact OD2-CZ 2.59Å; D31-R34 IonicContact OD2-NE 3.77Å; D31-R34 PolarHBondContact OD2-NE 2.88Å; D31-R34 IonicContact OD2-NH2 3.41Å; D31-R34 PolarHBondContact OD2-NH2 3.03Å; D31-K35 PolarHBondContact O-N 2.99Å
32Y94.6Very high76.4Confident167 Ų167120.1 Ų120.166%0.65558%0.582SS**Hα-helixtrans-61.5-30.5-172.8-74.8-74.8000109.3V30 K35 Y36V30-Y32 HydrophobicContact CB-CD1 4.19Å; V30-Y32 HydrophobicContact CB-CD2 3.98Å; V30-Y32 HydrophobicContact CB-CE1 3.85Å; V30-Y32 HydrophobicContact CB-CE2 3.62Å; V30-Y32 HydrophobicContact CB-CG 4.23Å; V30-Y32 HydrophobicContact CG1-CD1 3.45Å; V30-Y32 VanDerWaalsContact CG1-CD1 3.45Å; V30-Y32 HydrophobicContact CG1-CD2 3.98Å; V30-Y32 HydrophobicContact CG1-CE1 3.46Å; V30-Y32 VanDerWaalsContact CG1-CE1 3.46Å; V30-Y32 HydrophobicContact CG1-CE2 3.99Å; V30-Y32 HydrophobicContact CG1-CG 3.7Å; V30-Y32 WeakPolarHBondContact O-CD2 3.45Å; V30-Y32 WeakPolarHBondContact O-CE2 3.15Å; V30-Y32 PolarHBondContact O-N 3.34Å; Y32-K35 PolarHBondContact O-N 3.21Å; Y32-Y36 WeakPolarHBondContact O-CB 3.18Å; Y32-Y36 PolarHBondContact O-N 3.49Å
33K91.9Very high78.7Confident164 Ų164117.3 Ų117.371%0.71357%0.57SS**Hα-helixtrans-63.2-48.1172.3-163173.4-176.4178.50110.9D31 K37D31-K33 PolarHBondContact O-N 2.84Å; K33-K37 WeakPolarHBondContact O-CG 3.46Å; K33-K37 PolarHBondContact O-N 2.82Å
34R95.4Very high81.2Confident161 Ų161118.9 Ų118.961%0.60857%0.571SS**Hα-helixtrans-65.7-42.8173.9-177.8-169.8-55.8-138.61.1112.9D31 Y36 K37 N38D31-R34 HydrophobicContact CB-CB 3.85Å; D31-R34 CarbonylContact O-C 3.56Å; D31-R34 WeakPolarHBondContact O-CA 3.42Å; D31-R34 WeakPolarHBondContact O-CB 3.44Å; D31-R34 PolarHBondContact O-N 2.9Å; D31-R34 WeakPolarHBondContact OD1-CB 3.44Å; D31-R34 PolarHBondContact OD1-N 2.96Å; D31-R34 WeakPolarHBondContact OD2-CB 3.46Å; D31-R34 IonicContact OD2-CZ 2.59Å; D31-R34 IonicContact OD2-NE 3.77Å; D31-R34 PolarHBondContact OD2-NE 2.88Å; D31-R34 IonicContact OD2-NH2 3.41Å; D31-R34 PolarHBondContact OD2-NH2 3.03Å; R34-Y36 VanDerWaalsContact C-N 3.33Å; R34-Y36 PolarHBondContact O-N 2.62Å; R34-K37 PolarHBondContact O-N 2.81Å; R34-N38 PolarHBondContact O-N 2.99Å; R34-N38 PolarHBondContact O-ND2 2.97Å
35K95.7Very high83.6Confident122 Ų122121.7 Ų121.753%0.5356%0.561SS.*Hα-helixtrans-61.9-42.4176.7-70.8-162.1-175.1163.60111.2V30 D31 Y32 N38 L39V30-K35 HydrophobicContact CG1-CD 3.32Å; V30-K35 HydrophobicContact CG1-CG 3.99Å; D31-K35 PolarHBondContact O-N 2.99Å; Y32-K35 PolarHBondContact O-N 3.21Å; K35-N38 PolarHBondContact O-N 2.96Å; K35-L39 WeakPolarHBondContact O-CB 3.33Å; K35-L39 PolarHBondContact O-N 3.03Å
36Y96.6Very high86.3Confident149 Ų149121 Ų12158%0.58456%0.561SS**Hα-helixtrans-61-48.4174.3174.2-99.1000112.1Y32 R34 N38 L39 K40Y32-Y36 WeakPolarHBondContact O-CB 3.18Å; Y32-Y36 PolarHBondContact O-N 3.49Å; R34-Y36 VanDerWaalsContact C-N 3.33Å; R34-Y36 PolarHBondContact O-N 2.62Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 3.38Å; Y36-L39 PolarHBondContact O-N 3.47Å; Y36-K40 HydrophobicContact CE1-CD 4.27Å; Y36-K40 WeakPolarHBondContact O-CB 3.37Å; Y36-K40 PolarHBondContact O-N 2.72Å
37K97.4Very high88.6Confident134 Ų134119 Ų11958%0.58355%0.548SS*.Hα-helixtrans-59.7-40.1177.4-71.3-178.183175.30112K33 R34 R41K33-K37 WeakPolarHBondContact O-CG 3.46Å; K33-K37 PolarHBondContact O-N 2.82Å; R34-K37 PolarHBondContact O-N 2.81Å; K37-R41 PolarHBondContact O-N 3.09Å; K37-R41 VanDerWaalsContact O-N 3.11Å
38N97Very high90.8Very high56 Ų56119.3 Ų119.330%0.29954%0.539SS..Hα-helixtrans-66.3-46.5175.2-82.3-63.4000112.2R34 K35 Y36 K40 R41 K42R34-N38 PolarHBondContact O-N 2.99Å; R34-N38 PolarHBondContact O-ND2 2.97Å; K35-N38 PolarHBondContact O-N 2.96Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 3.38Å; N38-K40 VanDerWaalsContact C-N 3.33Å; N38-K40 PolarHBondContact O-N 3.39Å; N38-R41 PolarHBondContact O-N 3.35Å; N38-R41 VanDerWaalsContact OD1-CZ 3.28Å; N38-R41 PolarHBondContact OD1-NH1 3.11Å; N38-R41 PolarHBondContact OD1-NH2 3.4Å; N38-K42 WeakPolarHBondContact O-CG 3.08Å; N38-K42 PolarHBondContact O-N 3.28Å
39L98.3Very high93.1Very high117 Ų117119.1 Ų119.161%0.61353%0.532SS*.Hα-helixtrans-62.8-41.4178.8-173.161.9000111.3K35 Y36 R41 K42 L43K35-L39 WeakPolarHBondContact O-CB 3.33Å; K35-L39 PolarHBondContact O-N 3.03Å; Y36-L39 PolarHBondContact O-N 3.47Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.2Å; L39-K42 PolarHBondContact O-N 2.9Å; L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 PolarHBondContact O-N 2.8Å
40K98.1Very high95.2Very high108 Ų108115.9 Ų115.947%0.4752%0.517SS..Hα-helixtrans-58.8-43.5173.7-177.4177179.5175.10111.9Y36 N38 K44Y36-K40 HydrophobicContact CE1-CD 4.27Å; Y36-K40 WeakPolarHBondContact O-CB 3.37Å; Y36-K40 PolarHBondContact O-N 2.72Å; N38-K40 VanDerWaalsContact C-N 3.33Å; N38-K40 PolarHBondContact O-N 3.39Å; K40-K44 WeakPolarHBondContact O-CG 3.4Å; K40-K44 PolarHBondContact O-N 3.44Å; K40-K44 VanDerWaalsContact O-N 3.1Å
41R98.5Very high96.7Very high127 Ų127120.1 Ų120.148%0.47954%0.535SS..Hα-helixtrans-62.9-50.2174.6-80.4-171.1-90.4100.2-1.9111.3K37 N38 L39 L43 K44 F45K37-R41 PolarHBondContact O-N 3.09Å; K37-R41 VanDerWaalsContact O-N 3.11Å; N38-R41 PolarHBondContact O-N 3.35Å; N38-R41 VanDerWaalsContact OD1-CZ 3.28Å; N38-R41 PolarHBondContact OD1-NH1 3.11Å; N38-R41 PolarHBondContact OD1-NH2 3.4Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 3.2Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.47Å; R41-K44 WeakPolarHBondContact O-CB 3.33Å; R41-K44 PolarHBondContact O-N 3.11Å; R41-F45 WeakPolarHBondContact O-CD2 3.45Å; R41-F45 PolarHBondContact O-N 3.1Å; R41-F45 VanDerWaalsContact O-N 3.11Å
42K98.1Very high97.4Very high138 Ų138119.9 Ų119.960%0.654%0.538SS*.Hα-helixtrans-59.1-42.8178.4-71.8-177.3177.9-1720112.2N38 L39 K44 F45 L46N38-K42 WeakPolarHBondContact O-CG 3.08Å; N38-K42 PolarHBondContact O-N 3.28Å; L39-K42 PolarHBondContact O-N 2.9Å; K42-K44 PolarHBondContact O-N 3.21Å; K42-F45 PolarHBondContact O-N 3.47Å; K42-L46 WeakPolarHBondContact O-CG 2.9Å; K42-L46 PolarHBondContact O-N 2.79Å
43L98.4Very high97.6Very high104 Ų104117.8 Ų117.855%0.54553%0.532SS..Hα-helixtrans-61-44.6177-179.362000111.3L39 R41 F45 L46 V47L39-L43 VanDerWaalsContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 PolarHBondContact O-N 2.8Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.47Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.82Å; L43-L46 PolarHBondContact O-N 3.23Å; L43-V47 HydrophobicContact CD1-CG2 4.23Å; L43-V47 HydrophobicContact CG-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 2.85Å
44K98.4Very high97.9Very high146 Ų146114.8 Ų114.864%0.63552%0.521SS*.Hα-helixtrans-57.4-43.4175-78-171.9165.2-162.70112.2K40 R41 K42 Y48K40-K44 WeakPolarHBondContact O-CG 3.4Å; K40-K44 PolarHBondContact O-N 3.44Å; K40-K44 VanDerWaalsContact O-N 3.1Å; R41-K44 WeakPolarHBondContact O-CB 3.33Å; R41-K44 PolarHBondContact O-N 3.11Å; K42-K44 PolarHBondContact O-N 3.21Å; K44-Y48 PolarHBondContact O-N 2.78Å; K44-Y48 VanDerWaalsContact O-N 3.14Å
45F98.3Very high98Very high138 Ų138111.1 Ų111.161%0.60551%0.511SS*.Hα-helixtrans-63.8-46.3176.2-74-66.9000112.1R41 K42 L43 V47 Y48 E49R41-F45 WeakPolarHBondContact O-CD2 3.45Å; R41-F45 PolarHBondContact O-N 3.1Å; R41-F45 VanDerWaalsContact O-N 3.11Å; K42-F45 PolarHBondContact O-N 3.47Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.82Å; F45-V47 VanDerWaalsContact C-N 3.34Å; F45-V47 PolarHBondContact O-N 3.35Å; F45-Y48 PolarHBondContact O-N 3.36Å; F45-E49 WeakPolarHBondContact O-CG 3.33Å; F45-E49 PolarHBondContact O-N 3.14Å
46L98.6Very high98.2Very high105 Ų105109.4 Ų109.455%0.5551%0.505SS..Hα-helixtrans-62.4-39.9-179.9-72.1174.3000112.6K42 L43 Q50K42-L46 WeakPolarHBondContact O-CG 2.9Å; K42-L46 PolarHBondContact O-N 2.79Å; L43-L46 PolarHBondContact O-N 3.23Å; L46-Q50 WeakPolarHBondContact O-CB 3.35Å; L46-Q50 PolarHBondContact O-N 2.95Å
47V98.6Very high98.3Very high67 Ų67107.2 Ų107.241%0.40650%0.502SS..Hα-helixtrans-62-48.3175.3171.20000110.1L43 F45 E49 Q50 E51L43-V47 HydrophobicContact CD1-CG2 4.23Å; L43-V47 HydrophobicContact CG-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 2.85Å; F45-V47 VanDerWaalsContact C-N 3.34Å; F45-V47 PolarHBondContact O-N 3.35Å; V47-E49 PolarHBondContact O-N 3.49Å; V47-Q50 PolarHBondContact O-N 3.35Å; V47-E51 WeakPolarHBondContact O-CG 3.36Å; V47-E51 PolarHBondContact O-N 2.83Å
48Y98.7Very high98.3Very high156 Ų156106 Ų10661%0.61249%0.494SS*.Hα-helixtrans-61.1-46.2178.5173.3-98.8000112.9K44 F45 Q50 E51 C52K44-Y48 PolarHBondContact O-N 2.78Å; K44-Y48 VanDerWaalsContact O-N 3.14Å; F45-Y48 PolarHBondContact O-N 3.36Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 3.22Å; Y48-E51 PolarHBondContact O-N 2.94Å; Y48-C52 PolarHBondContact O-N 3.45Å
49E97.8Very high98.4Very high96 Ų96110.4 Ų110.445%0.44951%0.507SS..Hα-helixtrans-62.4-41.5177.4-74.8-172125.800111.5F45 V47 C52 F53F45-E49 WeakPolarHBondContact O-CG 3.33Å; F45-E49 PolarHBondContact O-N 3.14Å; V47-E49 PolarHBondContact O-N 3.49Å; E49-C52 WeakPolarHBondContact O-CB 3.12Å; E49-C52 PolarHBondContact O-N 2.88Å; E49-F53 HydrophobicContact CB-CE2 4.25Å; E49-F53 WeakPolarHBondContact O-CD2 3.38Å; E49-F53 WeakPolarHBondContact O-CG 3.49Å; E49-F53 PolarHBondContact O-N 2.9Å
50Q98.4Very high98.4Very high86 Ų86107.3 Ų107.340%0.40250%0.497SS..Hα-helixtrans-63.4-42.7178.1177.4-91.5-4.100111.8L46 V47 Y48 C52 F53 Q54L46-Q50 WeakPolarHBondContact O-CB 3.35Å; L46-Q50 PolarHBondContact O-N 2.95Å; V47-Q50 PolarHBondContact O-N 3.35Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 3.22Å; Q50-C52 VanDerWaalsContact C-N 3.31Å; Q50-C52 PolarHBondContact O-N 3.25Å; Q50-F53 PolarHBondContact O-N 3.28Å; Q50-Q54 WeakPolarHBondContact O-CG 3.13Å; Q50-Q54 PolarHBondContact O-N 3.49Å
51E98Very high98.5Very high112 Ų112107 Ų10752%0.52350%0.498SS..Hα-helixtrans-60.7-41.9174-73.1177.8167.200111.5V47 Y48 Q54 E55V47-E51 WeakPolarHBondContact O-CG 3.36Å; V47-E51 PolarHBondContact O-N 2.83Å; Y48-E51 PolarHBondContact O-N 2.94Å; E51-Q54 PolarHBondContact O-N 3.41Å; E51-E55 PolarHBondContact O-N 3.21Å
52C98.3Very high98.5Very high64 Ų64107.4 Ų107.443%0.43250%0.499SS..Hα-helixtrans-60.4-49.2176.8-170.60000111.6Y48 E49 Q50 Q54 E55 E56Y48-C52 PolarHBondContact O-N 3.45Å; E49-C52 WeakPolarHBondContact O-CB 3.12Å; E49-C52 PolarHBondContact O-N 2.88Å; Q50-C52 VanDerWaalsContact C-N 3.31Å; Q50-C52 PolarHBondContact O-N 3.25Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.39Å; C52-E55 PolarHBondContact O-N 2.59Å; C52-E56 PolarHBondContact O-N 3.41Å
53F98.5Very high98.5Very high123 Ų123107 Ų10754%0.53950%0.498SS..Hα-helixtrans-63.1-37.4177.7-69-48.9000112.5E49 Q50 E56 L57E49-F53 HydrophobicContact CB-CE2 4.25Å; E49-F53 WeakPolarHBondContact O-CD2 3.38Å; E49-F53 WeakPolarHBondContact O-CG 3.49Å; E49-F53 PolarHBondContact O-N 2.9Å; Q50-F53 PolarHBondContact O-N 3.28Å; F53-E56 PolarHBondContact O-N 2.99Å; F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.03Å
54Q98.6Very high98.5Very high101 Ų101107.9 Ų107.947%0.47250%0.502SS..Hα-helixtrans-65.6-41.9176.3-74.7-168.6-11.500112.5Q50 E51 C52 R58Q50-Q54 WeakPolarHBondContact O-CG 3.13Å; Q50-Q54 PolarHBondContact O-N 3.49Å; E51-Q54 PolarHBondContact O-N 3.41Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.39Å; Q54-R58 WeakPolarHBondContact O-CB 3.41Å; Q54-R58 PolarHBondContact O-N 3.23Å; Q54-R58 VanDerWaalsContact O-N 3.09Å
55E98.6Very high98.5Very high84 Ų84105.7 Ų105.739%0.39350%0.497SS..Hα-helixtrans-63.6-44.2174.9-177.460-130.100111.4E51 C52 R58 R59 R62E51-E55 PolarHBondContact O-N 3.21Å; C52-E55 PolarHBondContact O-N 2.59Å; E55-R58 PolarHBondContact O-N 3.45Å; E55-R58 IonicContact OE1-NH1 3.38Å; E55-R58 PolarHBondContact OE1-NH1 2.98Å; E55-R58 IonicContact OE2-CZ 2.95Å; E55-R58 IonicContact OE2-NH1 3.54Å; E55-R58 PolarHBondContact OE2-NH1 3.36Å; E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 PolarHBondContact O-N 2.94Å; E55-R62 IonicContact OE1-NH2 2.82Å; E55-R62 PolarHBondContact OE1-NH2 3.43Å
56E98.5Very high98.6Very high87 Ų87105.6 Ų105.641%0.40750%0.496SS..Hα-helixtrans-64.3-42.6-179.9-173.5162.4-153.400112C52 F53 R58 R59 A60 W213C52-E56 PolarHBondContact O-N 3.41Å; F53-E56 PolarHBondContact O-N 2.99Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.32Å; E56-R59 WeakPolarHBondContact O-CB 3.49Å; E56-R59 PolarHBondContact O-N 2.93Å; E56-R59 VanDerWaalsContact O-N 3.14Å; E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 3.28Å; E56-W213 WeakPolarHBondContact OE1-CH2 3.49Å
57L98.7Very high98.6Very high102 Ų102105 Ų10553%0.53450%0.497SS..Hα-helixtrans-57.7-47.3173.5179.962.6000111F53 R59 A60 Q61F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.03Å; L57-R59 VanDerWaalsContact C-N 3.27Å; L57-R59 PolarHBondContact O-N 2.88Å; L57-A60 PolarHBondContact O-N 3.47Å; L57-Q61 HydrophobicContact CD1-CG 4.42Å; L57-Q61 WeakPolarHBondContact O-CG 3.49Å; L57-Q61 PolarHBondContact O-N 3.19Å
58R98.7Very high98.6Very high110 Ų110104.8 Ų104.842%0.41550%0.498SS..Hα-helixtrans-63.5-34.5178.1-150.5-175.2-50.899.9-1.3111.7Q54 E55 E56 R62Q54-R58 WeakPolarHBondContact O-CB 3.41Å; Q54-R58 PolarHBondContact O-N 3.23Å; Q54-R58 VanDerWaalsContact O-N 3.09Å; E55-R58 PolarHBondContact O-N 3.45Å; E55-R58 IonicContact OE1-NH1 3.38Å; E55-R58 PolarHBondContact OE1-NH1 2.98Å; E55-R58 IonicContact OE2-CZ 2.95Å; E55-R58 IonicContact OE2-NH1 3.54Å; E55-R58 PolarHBondContact OE2-NH1 3.36Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.32Å; R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 3.36Å; R58-R62 PolarHBondContact O-NE 3.36Å; R58-R62 VanDerWaalsContact O-NE 3.16Å
59R98.8Very high98.6Very high148 Ų148105.8 Ų105.856%0.55850%0.501SS*.Hα-helixtrans-68.2-43174.2-166-179.5-175.7103.1-1.1111.6E55 E56 L57 R62 K63E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 PolarHBondContact O-N 2.94Å; E56-R59 WeakPolarHBondContact O-CB 3.49Å; E56-R59 PolarHBondContact O-N 2.93Å; E56-R59 VanDerWaalsContact O-N 3.14Å; L57-R59 VanDerWaalsContact C-N 3.27Å; L57-R59 PolarHBondContact O-N 2.88Å; R59-R62 PolarHBondContact O-N 3.23Å; R59-K63 WeakPolarHBondContact O-CG 3.48Å; R59-K63 PolarHBondContact O-N 3.25Å; R59-K63 VanDerWaalsContact O-N 3.13Å
60A98.8Very high98.6Very high51 Ų51105.4 Ų105.442%0.42150%0.502SS..Hα-helixtrans-65.3-44.8178.200000112E56 L57 R62 K63 L64E56-A60 WeakPolarHBondContact O-CB 3.33Å; E56-A60 PolarHBondContact O-N 3.28Å; L57-A60 PolarHBondContact O-N 3.47Å; A60-R62 VanDerWaalsContact C-N 3.35Å; A60-R62 PolarHBondContact O-N 3.14Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.09Å; A60-K63 VanDerWaalsContact O-N 3.15Å; A60-L64 PolarHBondContact O-N 3.35Å
61Q98.7Very high98.6Very high101 Ų101107.9 Ų107.947%0.47251%0.511SS..Hα-helixtrans-59.3-43.5175.9-72.5173.1-2300112.2L57 K63 L64 L65L57-Q61 HydrophobicContact CD1-CG 4.42Å; L57-Q61 WeakPolarHBondContact O-CG 3.49Å; L57-Q61 PolarHBondContact O-N 3.19Å; Q61-K63 VanDerWaalsContact C-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.28Å; Q61-L64 PolarHBondContact O-N 2.95Å; Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.16Å
62R98.8Very high98.6Very high136 Ų136105.2 Ų105.251%0.51351%0.505SS..Hα-helixtrans-58.9-44174.1-76.6-179.4-72.6-168.8-1.4112.1E55 R58 R59 A60 K66E55-R62 IonicContact OE1-NH2 2.82Å; E55-R62 PolarHBondContact OE1-NH2 3.43Å; R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 3.36Å; R58-R62 PolarHBondContact O-NE 3.36Å; R58-R62 VanDerWaalsContact O-NE 3.16Å; R59-R62 PolarHBondContact O-N 3.23Å; A60-R62 VanDerWaalsContact C-N 3.35Å; A60-R62 PolarHBondContact O-N 3.14Å; R62-K66 PolarHBondContact O-N 2.87Å; R62-K66 VanDerWaalsContact O-N 3.12Å
63K98.8Very high98.6Very high130 Ų130109.2 Ų109.257%0.56552%0.516SS*.Hα-helixtrans-63.6-44.4176.4-71.6175.6177.9179.80111.7R59 A60 Q61 L65 K66 V67R59-K63 WeakPolarHBondContact O-CG 3.48Å; R59-K63 PolarHBondContact O-N 3.25Å; R59-K63 VanDerWaalsContact O-N 3.13Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.09Å; A60-K63 VanDerWaalsContact O-N 3.15Å; Q61-K63 VanDerWaalsContact C-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.28Å; K63-L65 PolarHBondContact O-N 2.93Å; K63-K66 WeakPolarHBondContact O-CB 3.44Å; K63-K66 PolarHBondContact O-N 3.44Å; K63-V67 WeakPolarHBondContact O-CG2 3.46Å; K63-V67 PolarHBondContact O-N 3.21Å
64L98.7Very high98.5Very high123 Ų123108.1 Ų108.164%0.64452%0.515SS*.Hα-helixtrans-58.7-47.8178.2178.464.2000111.3A60 Q61 K66 V67 S68A60-L64 PolarHBondContact O-N 3.35Å; Q61-L64 PolarHBondContact O-N 2.95Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.39Å; L64-V67 PolarHBondContact O-N 3.17Å; L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.36Å
65L98.8Very high98.5Very high99 Ų99108 Ų10852%0.51852%0.517SS..Hα-helixtrans-61.1-38.5177.2-72.2173.6000112.2Q61 K63 S68 R69Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.16Å; K63-L65 PolarHBondContact O-N 2.93Å; L65-S68 PolarHBondContact O-N 2.83Å; L65-R69 WeakPolarHBondContact O-CG 3.5Å; L65-R69 PolarHBondContact O-N 2.98Å
66K98.7Very high98.3Very high137 Ų137108.9 Ų108.960%0.59652%0.524SS*.Hα-helixtrans-63.3-52.8175.9-172.2177.3179.9-179.50111.3R62 K63 L64 S68 R69 D70R62-K66 PolarHBondContact O-N 2.87Å; R62-K66 VanDerWaalsContact O-N 3.12Å; K63-K66 WeakPolarHBondContact O-CB 3.44Å; K63-K66 PolarHBondContact O-N 3.44Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.39Å; K66-S68 VanDerWaalsContact C-N 3.25Å; K66-S68 PolarHBondContact O-N 3.19Å; K66-R69 WeakPolarHBondContact O-CB 3.36Å; K66-R69 PolarHBondContact O-N 3.12Å; K66-R69 VanDerWaalsContact O-N 3.1Å; K66-D70 VanDerWaalsContact O-CG 3.26Å; K66-D70 PolarHBondContact O-N 3.46Å
67V98.7Very high98.2Very high93 Ų93110.1 Ų110.156%0.56453%0.525SS*.Hα-helixtrans-60.5-37.3178.2174.70000111.3K63 L64 D70 K71K63-V67 WeakPolarHBondContact O-CG2 3.46Å; K63-V67 PolarHBondContact O-N 3.21Å; L64-V67 PolarHBondContact O-N 3.17Å; V67-D70 PolarHBondContact O-N 2.97Å; V67-K71 VanDerWaalsContact O-CB 3.29Å; V67-K71 WeakPolarHBondContact O-CB 3.35Å; V67-K71 PolarHBondContact O-N 3.29Å
68S98.5Very high98Very high62 Ų62110 Ų11043%0.43452%0.524SS..Hα-helixtrans-62.6-42.5176.1-169.90000111.9L64 L65 K66 S72L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.36Å; L65-S68 PolarHBondContact O-N 2.83Å; K66-S68 VanDerWaalsContact C-N 3.25Å; K66-S68 PolarHBondContact O-N 3.19Å; S68-S72 PolarHBondContact O-N 3.45Å; S68-S72 PolarHBondContact O-OG 3.2Å
69R98.7Very high97.7Very high176 Ų176108.8 Ų108.866%0.66453%0.526SS*.Hα-helixtrans-65.6-45.3175.4-71.5171.4-177.2150.70.6111.3L65 K66 K71 S72 F73L65-R69 WeakPolarHBondContact O-CG 3.5Å; L65-R69 PolarHBondContact O-N 2.98Å; K66-R69 WeakPolarHBondContact O-CB 3.36Å; K66-R69 PolarHBondContact O-N 3.12Å; K66-R69 VanDerWaalsContact O-N 3.1Å; R69-K71 VanDerWaalsContact C-N 3.31Å; R69-K71 PolarHBondContact O-N 3.42Å; R69-S72 PolarHBondContact O-N 3.15Å; R69-F73 WeakPolarHBondContact O-CB 3.44Å; R69-F73 PolarHBondContact O-N 2.93Å
70D98.4Very high97.3Very high89 Ų89106.9 Ų106.948%0.47652%0.523SS..Hα-helixtrans-61.2-41.7178.9-63.3-16.5000111.1K66 V67 L74K66-D70 VanDerWaalsContact O-CG 3.26Å; K66-D70 PolarHBondContact O-N 3.46Å; V67-D70 PolarHBondContact O-N 2.97Å; D70-L74 WeakPolarHBondContact O-CB 3.32Å; D70-L74 PolarHBondContact O-N 2.96Å
71K98.3Very high96.9Very high137 Ų137110.5 Ų110.560%0.59653%0.527SS*.Hα-helixtrans-60.6-52.8174.6178.4-174.1174.2-179.80111.4V67 R69 F73 L74 L75V67-K71 VanDerWaalsContact O-CB 3.29Å; V67-K71 WeakPolarHBondContact O-CB 3.35Å; V67-K71 PolarHBondContact O-N 3.29Å; R69-K71 VanDerWaalsContact C-N 3.31Å; R69-K71 PolarHBondContact O-N 3.42Å; K71-F73 VanDerWaalsContact C-N 3.32Å; K71-F73 PolarHBondContact O-N 2.98Å; K71-L74 PolarHBondContact O-N 3.33Å; K71-L75 HydrophobicContact CG-CD1 4.26Å; K71-L75 WeakPolarHBondContact O-CG 3.49Å; K71-L75 PolarHBondContact O-N 2.98Å
72S97.9Very high96Very high57 Ų57112.6 Ų112.640%0.39954%0.537SS..Hα-helixtrans-58.9-46.2179.4-67.70000111.1S68 R69 L74 L75 D76S68-S72 PolarHBondContact O-N 3.45Å; S68-S72 PolarHBondContact O-OG 3.2Å; R69-S72 PolarHBondContact O-N 3.15Å; S72-L74 VanDerWaalsContact C-N 3.31Å; S72-L74 PolarHBondContact O-N 3.13Å; S72-L75 PolarHBondContact O-N 2.87Å; S72-D76 VanDerWaalsContact O-CG 3.23Å; S72-D76 PolarHBondContact O-N 2.93Å
73F98.3Very high94.5Very high148 Ų148115.1 Ų115.165%0.64955%0.546SS*.Hα-helixtrans-56.3-43.7176.5174.5-95.9000112.6R69 K71 D76 R77R69-F73 WeakPolarHBondContact O-CB 3.44Å; R69-F73 PolarHBondContact O-N 2.93Å; K71-F73 VanDerWaalsContact C-N 3.32Å; K71-F73 PolarHBondContact O-N 2.98Å; F73-D76 PolarHBondContact O-N 2.81Å; F73-R77 PolarHBondContact O-N 3.13Å
74L97.9Very high92.7Very high100 Ų100113.1 Ų113.152%0.52455%0.545SS..Hα-helixtrans-66.3-42.7178.3-178.561.5000111.9D70 K71 S72 D76 R77 L78D70-L74 WeakPolarHBondContact O-CB 3.32Å; D70-L74 PolarHBondContact O-N 2.96Å; K71-L74 PolarHBondContact O-N 3.33Å; S72-L74 VanDerWaalsContact C-N 3.31Å; S72-L74 PolarHBondContact O-N 3.13Å; L74-D76 VanDerWaalsContact C-N 3.35Å; L74-R77 PolarHBondContact O-N 3.39Å; L74-L78 HydrophobicContact CD1-CD1 4.14Å; L74-L78 HydrophobicContact CD1-CG 4.14Å; L74-L78 HydrophobicContact CD2-CD1 4.47Å; L74-L78 HydrophobicContact CG-CD1 3.88Å; L74-L78 HydrophobicContact CG-CG 4.33Å; L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.71Å
75L97Very high90.7Very high97 Ų97113.6 Ų113.651%0.50855%0.548SS..Hα-helixtrans-61.5-44.3176.5-68.5176.3000111.2K71 S72 R77 L78 L79K71-L75 HydrophobicContact CG-CD1 4.26Å; K71-L75 WeakPolarHBondContact O-CG 3.49Å; K71-L75 PolarHBondContact O-N 2.98Å; S72-L75 PolarHBondContact O-N 2.87Å; L75-R77 PolarHBondContact O-N 3.19Å; L75-L78 PolarHBondContact O-N 2.97Å; L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.37Å
76D95.2Very high88.7Confident103 Ų103117.2 Ų117.255%0.55156%0.562SS**Hα-helixtrans-61.6-34.4176.3-65.5-19.6000111.8S72 F73 L74 Q80S72-D76 VanDerWaalsContact O-CG 3.23Å; S72-D76 PolarHBondContact O-N 2.93Å; F73-D76 PolarHBondContact O-N 2.81Å; L74-D76 VanDerWaalsContact C-N 3.35Å; D76-Q80 PolarHBondContact O-NE2 3.31Å
77R95.6Very high86.7Confident114 Ų114117.6 Ų117.643%0.4357%0.571SS.*Hα-helixtrans-73.7-43.7175.8-172.955.2176.3-177.6-0.7112.6F73 L74 L75 Q80 Y81F73-R77 PolarHBondContact O-N 3.13Å; L74-R77 PolarHBondContact O-N 3.39Å; L75-R77 PolarHBondContact O-N 3.19Å; R77-Q80 WeakPolarHBondContact O-CB 3.29Å; R77-Q80 PolarHBondContact O-N 3.06Å; R77-Y81 HydrophobicContact CG-CE2 4.22Å; R77-Y81 PolarHBondContact NH2-OH 3.48Å; R77-Y81 VanDerWaalsContact O-CD2 3.23Å; R77-Y81 WeakPolarHBondContact O-CD2 3.42Å
78L94.4Very high84.8Confident98 Ų98118 Ų11851%0.51358%0.578SS.*Hα-helixtrans-67-36.9179.6-73.1171.7000112.2L74 L75 Q80 Y81 E82L74-L78 HydrophobicContact CD1-CD1 4.14Å; L74-L78 HydrophobicContact CD1-CG 4.14Å; L74-L78 HydrophobicContact CD2-CD1 4.47Å; L74-L78 HydrophobicContact CG-CD1 3.88Å; L74-L78 HydrophobicContact CG-CG 4.33Å; L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.71Å; L75-L78 PolarHBondContact O-N 2.97Å; L78-Q80 PolarHBondContact O-N 3.29Å; L78-Q80 VanDerWaalsContact O-N 3.11Å; L78-Y81 PolarHBondContact O-N 2.84Å; L78-E82 PolarHBondContact O-N 2.81Å
79L91.9Very high82.8Confident85 Ų85119.6 Ų119.645%0.44559%0.589SS.*Hα-helixtrans-56.8-28.2177.1-173.964.2000112.8L75 Y81 E82L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.37Å; L79-Y81 VanDerWaalsContact C-N 3.26Å; L79-Y81 PolarHBondContact O-N 3.35Å; L79-E82 VanDerWaalsContact CD1-OE2 3.32Å; L79-E82 WeakPolarHBondContact CD1-OE2 3.34Å
80Q91.1Very high81Confident109 Ų109118.9 Ų118.951%0.50960%0.598SS.*THydrogen-bonded Turntrans-67.9-25.7176-67.9162.861.800112.9D76 R77 L78 V84D76-Q80 PolarHBondContact O-NE2 3.31Å; R77-Q80 WeakPolarHBondContact O-CB 3.29Å; R77-Q80 PolarHBondContact O-N 3.06Å; L78-Q80 PolarHBondContact O-N 3.29Å; L78-Q80 VanDerWaalsContact O-N 3.11Å; Q80-V84 VanDerWaalsContact O-CG2 3.31Å; Q80-V84 WeakPolarHBondContact O-CG2 3.46Å
81Y90Very high79.2Confident127 Ų127119 Ų11950%0.49861%0.606SS.*THydrogen-bonded Turntrans-96.1-16.4-177.3-64-77.9000113.1R77 L78 L79 R83R77-Y81 HydrophobicContact CG-CE2 4.22Å; R77-Y81 PolarHBondContact NH2-OH 3.48Å; R77-Y81 VanDerWaalsContact O-CD2 3.23Å; R77-Y81 WeakPolarHBondContact O-CD2 3.42Å; L78-Y81 PolarHBondContact O-N 2.84Å; L79-Y81 VanDerWaalsContact C-N 3.26Å; L79-Y81 PolarHBondContact O-N 3.35Å; Y81-R83 PolarHBondContact O-N 2.95Å; Y81-R83 VanDerWaalsContact O-N 3.14Å
82E80.4Confident77.5Confident145 Ų145119.3 Ų119.368%0.67861%0.614SS**THydrogen-bonded Turntrans-61.8-20.4178-174.7175.7-166.700113.2L78 L79L78-E82 PolarHBondContact O-N 2.81Å; L79-E82 VanDerWaalsContact CD1-OE2 3.32Å; L79-E82 WeakPolarHBondContact CD1-OE2 3.34Å
83R66.2Low75.5Confident188 Ų188120.8 Ų120.871%0.70963%0.63SS**THydrogen-bonded Turntrans-123.132.1-172.1-50.8-172.7-150.51785.4114.6Y81Y81-R83 PolarHBondContact O-N 2.95Å; Y81-R83 VanDerWaalsContact O-N 3.14Å
84V61.2Low73.6Confident88 Ų88120.1 Ų120.153%0.53364%0.638SS.*SBendtrans-111.1-19.8-176.5-176.80000113Q80Q80-V84 VanDerWaalsContact O-CG2 3.31Å; Q80-V84 WeakPolarHBondContact O-CG2 3.46Å
85D58.4Low71.4Confident133 Ų133121.8 Ų121.871%0.71165%0.652SS**SBendtrans-98.5-5.7-172-61.2-37.5000115
86E55.9Low69.4Low176 Ų176122.5 Ų122.582%0.82267%0.665SS**THydrogen-bonded Turntrans-83.5-11.4-179.2-64.1-68.2141.900113.6
87D56.8Low67.4Low145 Ų145123.2 Ų123.278%0.77568%0.678SS**THydrogen-bonded Turntrans-103.5-0.9-179.1-63.1-22.4000113.1S89D87-S89 PolarHBondContact O-N 3.48Å
88S58.9Low65.5Low102 Ų102127.2 Ų127.271%0.71370%0.702SS**SBendtrans-76.576.5173.8-176.90000109.9D90S88-D90 PolarHBondContact O-N 3.42Å
89S55.4Low63Low94 Ų94129.7 Ų129.766%0.65772%0.716SS**  trans-29.498.3169.7-173.20000113.3D87 S91D87-S89 PolarHBondContact O-N 3.48Å; S89-S91 PolarHBondContact O-N 3.13Å; S89-S91 PolarHBondContact OG-OG 2.96Å; S89-S91 VanDerWaalsContact OG-OG 3.07Å
90D60.6Low60.5Low161 Ų161129.8 Ų129.886%0.86172%0.723SS**  trans-70.981.7159-174.828.1000107.3S88 D92S88-D90 PolarHBondContact O-N 3.42Å; D90-D92 PolarHBondContact O-N 3.36Å
91S62.1Low58.4Low92 Ų92133.5 Ų133.564%0.64374%0.741SS**  trans-78.4106.5170.1-72.10000108.4S89 A93S89-S91 PolarHBondContact O-N 3.13Å; S89-S91 PolarHBondContact OG-OG 2.96Å; S89-S91 VanDerWaalsContact OG-OG 3.07Å; S91-A93 PolarHBondContact O-N 2.84Å
92D62.9Low55.8Low144 Ų144131 Ų13177%0.7775%0.754SS**  trans-29.4115.4168.2-161.3-60.8000113.4D90D90-D92 PolarHBondContact O-N 3.36Å
93A54.7Low53.9Low87 Ų87132.9 Ų132.972%0.71976%0.763SS**  trans-146.790.6160.700000110.1S91 V95S91-A93 PolarHBondContact O-N 2.84Å; A93-V95 PolarHBondContact O-N 3.07Å
94T59.7Low52.5Low134 Ų134127.1 Ų127.182%0.82276%0.761SS**  trans-28114.3149.748.50000113.1
95V50.8Low51.7Low136 Ų136129.9 Ų129.982%0.82477%0.772SS**  trans-147.8107.214770.50000109.2A93A93-V95 PolarHBondContact O-N 3.07Å
96S54.3Low50.8Low112 Ų112133.3 Ų133.378%0.78378%0.775SS**  trans-59.7133160.5-63.40000109.4
97S54Low50Low118 Ų118133.6 Ų133.683%0.82578%0.777SS**  -176.3114.7127.8-97.60000111
98E54.8Low49.3Very low197 Ų197137.8 Ų137.892%0.92178%0.782SS**  trans-56.2120.6149.7169.4147.1-145.100110.2
99N42Very low48.3Very low151 Ų151139 Ų13981%0.80778%0.776SS**  trans-176136.8146.9-165.433.2000113.3
100S40.6Very low47.8Very low87 Ų87144.3 Ų144.361%0.60878%0.782SS**  trans77.7100.6149.5-148.80000121
101E46.6Very low46.6Very low186 Ų186145.6 Ų145.687%0.86978%0.783SS**  trans-24.1141.1131.262.5-158.5137.300115.8
102G35.3Very low45.9Very low75 Ų75148.2 Ų148.277%0.77379%0.788SS**  trans16991.1172.500000114.8
103E40.9Very low44.8Very low185 Ų185145.7 Ų145.786%0.86479%0.787SS**  trans11.6129.9142.5-89.9-106.9152.900119.5
104G36.1Very low44.6Very low66 Ų66150.1 Ų150.168%0.6879%0.79SS**  trans-169.640.2173.800000117.9R106G104-R106 PolarHBondContact O-N 2.95Å; G104-R106 VanDerWaalsContact O-N 3.09Å
105L44.5Very low44.3Very low147 Ų147153.5 Ų153.577%0.7779%0.793SS**  trans-58.5105.6162.5176.2109.8000109.9
106R40.3Very low44.4Very low205 Ų205157.9 Ų157.977%0.77480%0.795SS**  trans-152.689.5168.7-52.4-70.4-177-12310112.2G104G104-R106 PolarHBondContact O-N 2.95Å; G104-R106 VanDerWaalsContact O-N 3.09Å
107E39.6Very low44Very low182 Ų182160.9 Ų160.985%0.8579%0.794SS**  trans-25.9127.7142179.8-178.9-160.700113.7
108R41.4Very low43.3Very low232 Ų232159.4 Ų159.488%0.87578%0.783SS**  trans-156.396148.5-171.2165.5-99.7119.6-7.2111.7
109E37.9Very low42.8Very low129 Ų129154.7 Ų154.760%0.60377%0.772SS**  trans-42155.1146.7-171.8-158.8-157.500113.5
110R44Very low43.2Very low205 Ų205153.2 Ų153.277%0.77477%0.771SS**  trans97.8130.7169.4-53.1162.6-156.8-136.7-2112.4
111E36.3Very low43Very low188 Ų188153 Ų15388%0.87978%0.782SS**  cis-166152.944.1-151.5172.9-149.900112.5
112I47.4Very low42.6Very low147 Ų147148.9 Ų148.975%0.75478%0.78SS**  trans-85.7130.4177.1-66.1156.8000109.6
113A40.5Very low42.6Very low91 Ų91150.9 Ų150.975%0.75278%0.781SS**  trans-174.6102.8148.300000111.1
114K50.2Low42.7Very low180 Ų180150.3 Ų150.378%0.78378%0.783SS**  56.199.186.5-67.8-177.8178.3171.70116.4
115K53.9Low42.8Very low204 Ų204152.3 Ų152.389%0.88779%0.786SS**  trans-144.8108.8133.3-72.8-162.1171.7-173.60106.9
116R51.8Low42.4Very low228 Ų228150.9 Ų150.986%0.8679%0.789SS**  48.5128.777.2-60.1-174.974.6-170.11.8111
117K46.8Very low42.2Very low176 Ų176146.2 Ų146.277%0.76579%0.787SS**  cis177.2146.210.6156.958-178.8-88.40107.4
118S38.7Very low42.2Very low86 Ų86143.2 Ų143.260%0.60179%0.786SS**  trans87.1110.3150.9128.40000118.5
119S44.1Very low42.1Very low99 Ų99137.4 Ų137.469%0.69278%0.781SS**  88.3165.760.369.40000113.1
120P50.3Low42.6Very low120 Ų120136.8 Ų136.878%0.77979%0.792SS**  cis-134.2166.2-27.128.4-6.8000114.7
121G36.2Very low42.8Very low81 Ų81132.5 Ų132.584%0.83579%0.79SS**  trans58.8122.213600000122.6
122A39.1Very low43.1Very low100 Ų100131.2 Ų131.283%0.82678%0.784SS**  trans-159.3116.8133.700000110.5
123C35.7Very low42.9Very low117 Ų117132 Ų13279%0.79179%0.788SS**  trans-71.8138.5160.439.90000109.8
124L41Very low43.1Very low173 Ų173132.1 Ų132.191%0.90678%0.784SS**  trans-140.6108.6154.9-74177.6000108.8
125S39.1Very low42.8Very low108 Ų108130.9 Ų130.976%0.75579%0.785SS**  trans-76.8164.2155-57.20000109.7
126S37.2Very low42.5Very low117 Ų117129.5 Ų129.582%0.81879%0.787SS**  trans100.6133.5173.8-48.70000112.7
127S35.6Very low41.9Very low107 Ų107123.7 Ų123.775%0.74878%0.781SS**  cis-171.9152.6-2.1-81.40000106.8
128S38.7Very low41.9Very low119 Ų119126.9 Ų126.983%0.83279%0.788SS**  trans49.7113.8142.5-159.90000120.7
129S39Very low42.3Very low110 Ų110128.7 Ų128.777%0.76980%0.798SS**  178.7109.8110.270.10000112.2
130S49.5Very low42.3Very low117 Ų117127.3 Ų127.382%0.81880%0.799SS**  trans-90.4134.6140.91770000105
131P46.9Very low42Very low114 Ų114129 Ų12974%0.7481%0.807SS**  -156.3144.881.537-16000115.7
132H42.6Very low42.7Very low161 Ų161132.7 Ų132.775%0.74581%0.807SS**  trans-154.3100.4132.789.3-81.1000110.1S134H132-S134 PolarHBondContact CD2-OG 3.15Å
133L43.8Very low43.7Very low163 Ų163132.4 Ų132.485%0.85380%0.797SS**  trans-89.9111.1153.8-66.4175.9000105.1L135L133-L135 PolarHBondContact O-N 2.87Å
134S44.6Very low44.1Very low95 Ų95134.4 Ų134.466%0.66480%0.799SS**  trans-69.498.3173-67.50000109.2H132 L136H132-S134 PolarHBondContact CD2-OG 3.15Å; S134-L136 PolarHBondContact O-N 3.45Å; S134-L136 VanDerWaalsContact O-N 3.16Å
135L43.8Very low44.3Very low154 Ų154135.7 Ų135.781%0.80680%0.8SS**  trans-66.399162.5-66.9169.5000108.5L133 S137L133-L135 PolarHBondContact O-N 2.87Å; L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.41Å
136L47.2Very low44.5Very low174 Ų174135.6 Ų135.691%0.91180%0.8SS**  trans-81.681158.9-82.9155.6000108S134S134-L136 PolarHBondContact O-N 3.45Å; S134-L136 VanDerWaalsContact O-N 3.16Å
137S39.2Very low45.1Very low106 Ų106135.5 Ų135.574%0.74180%0.799SS**  trans-78.6119.6159.8-68.10000108.8L135L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.41Å
138R47Very low45.3Very low244 Ų244135.5 Ų135.592%0.92180%0.799SS**  trans-122.8136.7156.8-112.5178.9135.9-124-1.8109
139P47.9Very low46Very low124 Ų124137 Ų13781%0.80580%0.803SS**  trans-92.8149.3-168.635.7-33.3000113.4
140G43.3Very low46.5Very low69 Ų69133.9 Ų133.971%0.71179%0.789SS**  trans79.9106.1135.900000119.2
141V45.5Very low46.7Very low156 Ų156133.4 Ų133.495%0.94579%0.786SS**  -168135.9102.4-85.30000110.5
142N49.8Very low46.8Very low158 Ų158138.6 Ų138.685%0.84579%0.792SS**  trans-92.2-175.8-176.8-120.4-12.5000110.5
143P60.2Low47.5Very low95 Ų95138.5 Ų138.562%0.61780%0.796SS**  cis-141.7-176.3-26.934.3-12.1000114.6
144L45.2Very low48.1Very low159 Ų159137.9 Ų137.983%0.83279%0.794SS**  trans73.3102.4165.8-82.176.9000117.9
145Q44.9Very low48.4Very low199 Ų199137.3 Ų137.393%0.9380%0.795SS**  -153.1140.4122.4-106.3171.435.800111
146S42.1Very low49.4Very low106 Ų106137 Ų13774%0.74179%0.791SS**  trans-55.9147.7-168.252.20000116.2
147S50.3Low50.3Low115 Ų115134.2 Ų134.280%0.80478%0.784SS**  trans48.6101.9135.2-1740000117.5
148S40.7Very low51.2Low108 Ų108136.7 Ų136.776%0.75578%0.781SS**  -176.2133.7126.740.20000111.3G150S148-G150 PolarHBondContact O-N 3.17Å
149T52.2Low52.3Low149 Ų149128.4 Ų128.491%0.91476%0.759SS**  trans-45.5115.1162.349.10000111
150G50.9Low53.3Low45 Ų45126.7 Ų126.746%0.46475%0.748SS.*  trans179.8-6.317700000119.9S148 Y152 L153S148-G150 PolarHBondContact O-N 3.17Å; G150-Y152 VanDerWaalsContact C-N 3.3Å; G150-Y152 PolarHBondContact O-N 3.16Å; G150-L153 PolarHBondContact O-N 3.45Å
151S51.8Low54.1Low108 Ų108130.5 Ų130.576%0.75575%0.747SS**THydrogen-bonded Turntrans-67.8-22.6-168.4-50.60000115.3
152Y50.5Low55Low223 Ų223134 Ų13488%0.87575%0.745SS**THydrogen-bonded Turntrans-85.2-15.6-178.9-83.7-81.7000115.1G150G150-Y152 VanDerWaalsContact C-N 3.3Å; G150-Y152 PolarHBondContact O-N 3.16Å
153L56.1Low55.8Low159 Ų159133 Ų13383%0.83274%0.739SS**THydrogen-bonded Turntrans-85.7-14.1175.7-64.3-179.4000112.8G150G150-L153 PolarHBondContact O-N 3.45Å
154N56.4Low56.3Low149 Ų149130.5 Ų130.580%0.79773%0.726SS**SBendtrans-91.9-18.5-172.3-147-77.2000113.9
155A52Low57.1Low83 Ų83128.4 Ų128.469%0.68672%0.722SS**SBendtrans-92.2-5-175.800000114.6P157A155-P157 WeakPolarHBondContact O-CD 3.41Å
156M64.6Low57.8Low147 Ų147124.8 Ų124.872%0.72472%0.716SS**SBendtrans-86115.5173.1-68.2-61.8-78.800108.2F158M156-F158 PolarHBondContact O-N 3.03Å
157P66Low58.7Low117 Ų117124.1 Ų124.176%0.7672%0.717SS**  trans-55.1118.3170.121.7-29.2000107.1A155A155-P157 WeakPolarHBondContact O-CD 3.41Å
158F58.8Low58.9Low158 Ų158127.2 Ų127.269%0.69372%0.718SS**  trans-44.6137.6175.4-152.6-102000108.4M156M156-F158 PolarHBondContact O-N 3.03Å
159P68.4Low59.5Low69 Ų69132.9 Ų132.945%0.44872%0.723SS.*  trans-52.6132.6178.521.9-31.6000108.2E161 L163P159-E161 PolarHBondContact O-N 3.47Å; P159-L163 HydrophobicContact CB-CB 4.36Å; P159-L163 HydrophobicContact CB-CD1 4.49Å
160P69.4Low59.3Low89 Ų89134.6 Ų134.658%0.57872%0.723SS**  trans-45.9134.4-177.3-28.533.1000110.1Y162 L163P160-Y162 PolarHBondContact O-N 2.88Å; P160-L163 PolarHBondContact O-N 3.47Å
161E60.7Low59.2Low148 Ų148142.2 Ų142.269%0.69274%0.743SS**G310 helixtrans-43.8-21.2-174.3-104.677.8-170.700115.7P159 L163 A164P159-E161 PolarHBondContact O-N 3.47Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.3Å; E161-A164 PolarHBondContact O-N 3.04Å
162Y64Low59.1Low230 Ų230146.5 Ų146.590%0.90275%0.748SS**G310 helixtrans-69.4-16.4174.4-73-88.7000115.2P160P160-Y162 PolarHBondContact O-N 2.88Å
163L66.4Low58.8Low137 Ų137143.2 Ų143.272%0.71774%0.741SS**G310 helixtrans-99.4-7174.8-66.1177.8000112.9P159 P160 E161P159-L163 HydrophobicContact CB-CB 4.36Å; P159-L163 HydrophobicContact CB-CD1 4.49Å; P160-L163 PolarHBondContact O-N 3.47Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.3Å
164A71.8Confident58.4Low42 Ų42146.1 Ų146.135%0.34774%0.741SS.*SBendtrans-81.2130.6174.600000109.9E161E161-A164 PolarHBondContact O-N 3.04Å
165P61.5Low57.9Low116 Ų116148.6 Ų148.675%0.75375%0.745SS**PPolyproline II helixtrans-55.2134.3174-24.133.2000110.3A167P165-A167 PolarHBondContact O-N 3.2Å; P165-A167 VanDerWaalsContact O-N 3.13Å
166P58.8Low57.3Low123 Ų123150.1 Ų150.180%0.79975%0.746SS**PPolyproline II helixtrans-61122.8-17824.5-32.3000109.1E168P166-E168 VanDerWaalsContact C-N 3.3Å; P166-E168 PolarHBondContact O-N 3.43Å
167A62.4Low56.1Low91 Ų91152.4 Ų152.475%0.75275%0.752SS**  trans-67.491173.400000109P165 R169P165-A167 PolarHBondContact O-N 3.2Å; P165-A167 VanDerWaalsContact O-N 3.13Å; A167-R169 PolarHBondContact O-N 3.25Å
168E52.8Low55.2Low180 Ų180153.3 Ų153.384%0.84176%0.755SS**  trans-6797.1176.1-164.5-176.4-168.800109.2P166 M170P166-E168 VanDerWaalsContact C-N 3.3Å; P166-E168 PolarHBondContact O-N 3.43Å; E168-M170 PolarHBondContact O-N 3.1Å
169R54.9Low54.6Low227 Ų227151.8 Ų151.886%0.85776%0.761SS**  trans-74.797.4172.9-64.6-175.9-175.8168.92108.7A167 K171A167-R169 PolarHBondContact O-N 3.25Å; R169-K171 PolarHBondContact O-N 2.99Å
170M47.5Very low53.3Low185 Ų185158 Ų15891%0.91178%0.781SS**  trans-53.897.9164.548.9-176.810000111.1E168E168-M170 PolarHBondContact O-N 3.1Å
171K47.7Very low51.9Low205 Ų205161 Ų16189%0.89179%0.792SS**  trans-88.4107.9163.9-96.1-167.2170.1-175.80109.1R169R169-K171 PolarHBondContact O-N 2.99Å
172K49.4Very low50.6Low198 Ų198162.5 Ų162.586%0.86180%0.796SS**  trans-61.9133152.9-88.8175.9170.4170.70108.2
173E46.1Very low49.2Very low155 Ų155162.9 Ų162.972%0.72480%0.796SS**  176.6124.8116.9-93.5-157.1120.500113.4
174R46.6Very low47.6Very low219 Ų219165 Ų16583%0.82680%0.803SS**  trans61.6121.4132.6-59.4176.288.5-1658.1121.5
175K45.6Very low46Very low201 Ų201167.1 Ų167.187%0.87482%0.82SS**  trans-13.7139152.4-91.8-177.5167.7178.50116.2
176T39.6Very low44.8Very low116 Ų116168.1 Ų168.171%0.71282%0.824SS**  175.8123.7111.1-73.40000113.5
177K40.5Very low43.9Very low195 Ų195166 Ų16685%0.84882%0.824SS**  trans53.7137.4145.5-61.9172.5-176.6-177.90123
178T45.4Very low42.9Very low135 Ų135171.8 Ų171.883%0.82883%0.833SS**  trans-65.9158.1166.249.70000112.8
179P46.3Very low42.4Very low127 Ų127170.2 Ų170.283%0.82584%0.835SS**  -146.5162.5104.933.9-15.8000116.4
180K42.2Very low41.6Very low198 Ų198165.9 Ų165.986%0.86183%0.833SS**  trans-65.7151.2175.7-73.9177.5170.6176.10113.9
181N39.7Very low41.1Very low153 Ų153160.3 Ų160.382%0.81882%0.824SS**  -173.5120.4129.3-93.4-43.5000109.4
182K33.4Very low41.1Very low179 Ų179156.4 Ų156.478%0.77882%0.819SS**  55.4104.291.8-167.3-176.7-177.4-178.40114.1
183R35.4Very low40.7Very low239 Ų239155.7 Ų155.790%0.90282%0.821SS**  -172.4148.2118.4-101.2-154.5-173.9-147.64.4112.9
184E32.1Very low40.4Very low181 Ų181152.8 Ų152.885%0.84682%0.824SS**  trans-77.8160.3-176.4-55.2170.2133.900113.4
185A38.5Very low39.9Very low86 Ų86146 Ų14671%0.71181%0.814SS**  trans157.9138.4147.800000106.7
186T35.5Very low39.8Very low138 Ų138144.7 Ų144.785%0.84782%0.817SS**  cis-177.2147.315.918.40000107.2
187G39.7Very low39.7Very low77 Ų77148.2 Ų148.279%0.79482%0.818SS**  trans81.896.5143.100000118.6
188K42.8Very low39.9Very low214 Ų214145.9 Ų145.993%0.9382%0.821SS**  trans-101.9113.2150.1-74.2-175.8176.5-176.60107.9
189V41Very low39.4Very low146 Ų146144.7 Ų144.789%0.88582%0.818SS**  trans-102.5140.7165.2156.60000108.5
190V39.3Very low39.3Very low136 Ų136144 Ų14482%0.82482%0.823SS**  trans-68.2149.8-174.1170.50000113
191G35.5Very low39.2Very low69 Ų69140.1 Ų140.171%0.71182%0.82SS**  trans-161.3130.1160.100000111.4
192P49.4Very low39.6Very low122 Ų122136.7 Ų136.779%0.79282%0.822SS**  trans-100.9153.4-157.438.2-34.1000116.5
193M40.3Very low39.8Very low184 Ų184132.4 Ų132.491%0.90682%0.819SS**  trans35.3125.6136.8-142.577.7156.700122.1
194A40.6Very low40.2Very low94 Ų94126.2 Ų126.278%0.77781%0.81SS**  trans63.3121.7141.400000121.5
195A35.6Very low40.5Very low75 Ų75129 Ų12962%0.6281%0.813SS**  -163.3110.4120.600000110.6Y197A195-Y197 HydrophobicContact CB-CD1 3.94Å; A195-Y197 HydrophobicContact CB-CE1 3.59Å
196N43.7Very low40.9Very low175 Ų175131 Ų13194%0.93682%0.816SS**  trans-78.9122.1158.6-98.2-4.2000107.9
197Y36.6Very low41.1Very low189 Ų189128.6 Ų128.674%0.74181%0.81SS**  trans-145.8109.4152.540.5-93.3000108.7A195 S199A195-Y197 HydrophobicContact CB-CD1 3.94Å; A195-Y197 HydrophobicContact CB-CE1 3.59Å; Y197-S199 PolarHBondContact O-N 2.84Å
198T45.9Very low41.7Very low147 Ų147130.6 Ų130.690%0.90281%0.812SS**  trans-61.8119.5158.79.80000108.4
199S34.5Very low42.1Very low110 Ų110122.9 Ų122.977%0.76979%0.794SS**  trans-150.3110.9160.6-76.90000108.5Y197 S201Y197-S199 PolarHBondContact O-N 2.84Å; S199-S201 PolarHBondContact O-N 3.09Å
200A44.1Very low42.8Very low112 Ų112121.9 Ų121.993%0.92679%0.79SS**  trans-65123.5171.500000109.4
201S39.8Very low43.2Very low116 Ų116124.2 Ų124.281%0.81179%0.789SS**  trans-142.3133.9153.284.70000108.6S199S199-S201 PolarHBondContact O-N 3.09Å
202G48.7Very low44.2Very low82 Ų82125.5 Ų125.585%0.84579%0.787SS**  trans-68.9136.3-171.100000112.5
203A37.3Very low44.1Very low88 Ų88127.7 Ų127.773%0.72778%0.78SS**  trans-104.1142.2164.400000109.8
204P42.9Very low45.2Very low109 Ų109123.1 Ų123.171%0.70876%0.762SS**  trans-66.8135.8167.929.3-31.7000109T206P204-T206 VanDerWaalsContact C-N 3.29Å; P204-T206 PolarHBondContact O-N 2.91Å
205R39Very low46.3Very low241 Ų241122.7 Ų122.791%0.90975%0.752SS**  trans-71.382.1176.2-64.3172.970.6-142.13.9109.7A207R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.94Å
206T46Very low47.4Very low127 Ų127127.9 Ų127.978%0.77976%0.76SS**  trans-86.877.9158.151.40000108.1P204 S208P204-T206 VanDerWaalsContact C-N 3.29Å; P204-T206 PolarHBondContact O-N 2.91Å; T206-S208 VanDerWaalsContact C-N 3.3Å; T206-S208 PolarHBondContact O-N 3.36Å; T206-S208 VanDerWaalsContact O-N 3.15Å
207A40.8Very low48.1Very low87 Ų87128 Ų12872%0.71976%0.755SS**  trans-83.680.8167.900000108.6R205 G209R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.94Å; A207-G209 PolarHBondContact O-N 3.33Å
208S51.1Low48.9Very low119 Ų119126.6 Ų126.683%0.83276%0.757SS**  trans-69.679.7149.7650000106.9T206T206-S208 VanDerWaalsContact C-N 3.3Å; T206-S208 PolarHBondContact O-N 3.36Å; T206-S208 VanDerWaalsContact O-N 3.15Å
209G52Low49.5Very low53 Ų53126.5 Ų126.555%0.54675%0.75SS.*  trans-64.7141.8168.700000108.9A207 F211A207-G209 PolarHBondContact O-N 3.33Å; G209-F211 PolarHBondContact O-N 3.2Å; G209-F211 VanDerWaalsContact O-N 3.13Å
210P56.5Low50.3Low124 Ų124126.8 Ų126.881%0.80575%0.752SS**  trans-57.3123.6169.524.7-31.5000107.7S212P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 2.91Å
211F46.9Very low50.6Low185 Ų185125 Ų12581%0.81175%0.746SS**  trans-59.295178-142.8-85.4000107.8G209 W213G209-F211 PolarHBondContact O-N 3.2Å; G209-F211 VanDerWaalsContact O-N 3.13Å; F211-W213 AromaticContact CD1-CD1 3.52Å; F211-W213 AromaticContact CD1-NE1 3.45Å; F211-W213 AromaticContact CE1-NE1 3.55Å; F211-W213 PolarHBondContact O-N 2.91Å
212S56.7Low51Low96 Ų96127.3 Ų127.367%0.67175%0.749SS**  trans-80.286.3-171.966.20000109.6P210 V214P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 2.91Å; S212-V214 PolarHBondContact O-N 3.29Å
213W48.2Very low50.7Low169 Ų169128.3 Ų128.364%0.6475%0.749SS**  trans-71.25.6167.4-9186.9000113.3E56 F211 P215E56-W213 WeakPolarHBondContact OE1-CH2 3.49Å; F211-W213 AromaticContact CD1-CD1 3.52Å; F211-W213 AromaticContact CD1-NE1 3.45Å; F211-W213 AromaticContact CE1-NE1 3.55Å; F211-W213 PolarHBondContact O-N 2.91Å; W213-P215 WeakPolarHBondContact O-CD 3.31Å
214V63Low51Low87 Ų87128 Ų12853%0.52775%0.747SS.*SBendtrans-88.6119.8-178-175.80000109.4S212 K216S212-V214 PolarHBondContact O-N 3.29Å; V214-K216 PolarHBondContact O-N 3.33Å
215P62.3Low51.2Low86 Ų86130 Ų13056%0.55875%0.751SS**  trans-55.4122.1169.3-24.735.3000110.1W213 Q217 M218W213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-Q217 PolarHBondContact O-N 3.42Å; P215-M218 PolarHBondContact O-N 3.18Å; P215-M218 VanDerWaalsContact O-N 3.17Å
216K59.3Low51.7Low183 Ų183127.5 Ų127.580%0.79675%0.75SS**G310 helixtrans-54.7-15.2179.8-74.4-178.5163.8-177.50114.1V214 M218 L219V214-K216 PolarHBondContact O-N 3.33Å; K216-M218 PolarHBondContact O-N 2.86Å; K216-L219 PolarHBondContact O-N 3.03Å
217Q59.5Low51.8Low179 Ų179129.4 Ų129.484%0.83675%0.75SS**G310 helixtrans-70.9-14.5-179.9-61.4-170.6300114P215 L219P215-Q217 PolarHBondContact O-N 3.42Å; Q217-L219 VanDerWaalsContact C-N 3.33Å
218M53.3Low52Low159 Ų159128.8 Ų128.878%0.78375%0.752SS**G310 helixtrans-85.3-0.3177.9-66.7-171.469.100114.4P215 K216P215-M218 PolarHBondContact O-N 3.18Å; P215-M218 VanDerWaalsContact O-N 3.17Å; K216-M218 PolarHBondContact O-N 2.86Å
219L58Low51.6Low144 Ų144131.7 Ų131.775%0.75475%0.752SS**SBendtrans-112.4-4.7-175.8-72.2153.5000114.3K216 Q217K216-L219 PolarHBondContact O-N 3.03Å; Q217-L219 VanDerWaalsContact C-N 3.33Å
220S50.6Low51.5Low116 Ų116134.7 Ų134.781%0.81177%0.765SS**  trans-103.482.4175.3-75.50000110.4
221G50.9Low50.8Low76 Ų76136.6 Ų136.678%0.78477%0.769SS**  trans-129.856165.500000109.7
222D48.8Very low50.7Low164 Ų164131.2 Ų131.288%0.87777%0.765SS**  trans-176.396.5155.1-160.738.1000109.6
223A41.4Very low50Low102 Ų102133.6 Ų133.684%0.84377%0.77SS**  trans-162.2115.9159.200000108
224A44.4Very low50.1Low83 Ų83131.1 Ų131.169%0.68678%0.779SS**  trans-67.3154.3-178.100000113.3
225D46.2Very low49.6Very low151 Ų151133.4 Ų133.481%0.80779%0.788SS**  trans44.2120.6151.4-49.3-38.4000119.7
226E50.7Low49Very low187 Ų187140.6 Ų140.687%0.87480%0.804SS**  -165.9128.4123.6-103.3-81.2140.800110
227E46.8Very low48.4Very low167 Ų167135 Ų13578%0.7880%0.799SS**  trans-59.8142.2173.6-62.6-97.2152.400110
228G45.4Very low47.8Very low74 Ų74134.2 Ų134.276%0.76380%0.8SS**  trans-15573.5-178.200000110.4S230G228-S230 PolarHBondContact O-N 2.9Å
229E42.1Very low47.5Very low180 Ų180135.3 Ų135.384%0.84180%0.803SS**  trans-55.8124.9168.7-56.5164.8143.200109.3
230S49.5Very low47Very low117 Ų117133.6 Ų133.682%0.81880%0.795SS**  trans-14895.8161.5-173.60000108.6G228G228-S230 PolarHBondContact O-N 2.9Å
231D42.7Very low46.8Very low164 Ų164138.9 Ų138.988%0.87780%0.797SS**  trans-57.7135.4160.8-69.2-50.9000109.9
232G44.4Very low46.4Very low72 Ų72138.5 Ų138.574%0.74279%0.793SS**  trans-156.171.8-178.800000109.2
233D41.9Very low46.3Very low146 Ų146140.5 Ų140.578%0.78180%0.797SS**  trans-55.5127.7164.9178.232.7000110.3
234S51.3Low46.5Very low117 Ų117138.6 Ų138.682%0.81879%0.787SS**  trans-158.679.1163-74.20000108.1R236S234-R236 PolarHBondContact O-N 3.11Å
235D52.3Low46.5Very low134 Ų134142.3 Ų142.372%0.71780%0.796SS**  trans-23.6120.7135.3178.737.3000113.3
236R48.5Very low46.5Very low238 Ų238144.3 Ų144.390%0.89880%0.8SS**  trans-174.3106.4140-101.4166.6-163.9-155.54109.5S234S234-R236 PolarHBondContact O-N 3.11Å
237G46.7Very low46.7Very low66 Ų66139.5 Ų139.568%0.6879%0.792SS**  trans-63.1141.8161.700000110.9
238D47.9Very low47Very low161 Ų161139.9 Ų139.986%0.86179%0.794SS**  trans-145.6101.7155.7-168.331.4000106.6
239E47Very low47.6Very low182 Ų182143.7 Ų143.785%0.8580%0.796SS**  trans-119.898.4171.740-173.7120.700106.3
240D46.3Very low48.7Very low109 Ų109140.1 Ų140.158%0.58379%0.787SS**  trans-168.1120.7156.5-138.421.3000114
241R47.3Very low49Very low226 Ų226141.2 Ų141.285%0.85378%0.782SS**  trans75.6133.5134.2-78.9171.1-151.1-171.23.5124.6
242G42.8Very low50.2Low68 Ų68140.3 Ų140.370%0.70178%0.777SS**  trans110.694.3156.400000111.3
243E46.8Very low51.1Low206 Ų206143.4 Ų143.496%0.96378%0.775SS**  43105.352.6-161.7173.4-162.100112.2
244G45.7Very low52.2Low62 Ų62142 Ų14264%0.63977%0.774SS**  trans155111174.300000112.9
245D44.8Very low52.5Low162 Ų162144 Ų14487%0.86678%0.775SS**  trans85.569153.9-48-14.5000116.9A247D245-A247 VanDerWaalsContact C-N 3.3Å; D245-A247 PolarHBondContact O-N 3.34Å
246E46.1Very low52.5Low193 Ų193150.3 Ų150.390%0.90280%0.8SS**  trans-57.996.6142.356.5-163.7160.300109E248E246-E248 PolarHBondContact O-N 3.14Å
247A53.4Low52.7Low85 Ų85145.9 Ų145.970%0.70280%0.795SS**  trans-62.2105.5168.300000108D245 L249D245-A247 VanDerWaalsContact C-N 3.3Å; D245-A247 PolarHBondContact O-N 3.34Å; A247-L249 PolarHBondContact O-N 2.95Å
248E54.5Low53.1Low175 Ų175150.1 Ų150.182%0.81880%0.802SS**  trans-51.496.7169.8-167.4179.5-158.400109E246 V250E246-E248 PolarHBondContact O-N 3.14Å; E248-V250 VanDerWaalsContact C-N 3.26Å; E248-V250 HydrophobicContact CG-CG2 4.16Å; E248-V250 PolarHBondContact O-N 2.83Å
249L57.5Low53.3Low155 Ų155149.5 Ų149.581%0.81280%0.798SS**  trans-7386.7171.4-69.8173.9000107.6A247 I251A247-L249 PolarHBondContact O-N 2.95Å; L249-I251 PolarHBondContact O-N 3.07Å
250V64.3Low53.7Low105 Ų105147.6 Ų147.664%0.63680%0.795SS**  trans-64.999.4167.1-179.50000107.4E248 D252E248-V250 VanDerWaalsContact C-N 3.26Å; E248-V250 HydrophobicContact CG-CG2 4.16Å; E248-V250 PolarHBondContact O-N 2.83Å; V250-D252 PolarHBondContact O-N 2.98Å
251I57.3Low54.2Low139 Ų139150 Ų15071%0.71381%0.808SS**  trans-83.799.6170.5-58.9170.9000106.3L249 I253L249-I251 PolarHBondContact O-N 3.07Å; I251-I253 HydrophobicContact CG2-CG1 4.06Å; I251-I253 PolarHBondContact O-N 3.32Å; I251-I253 VanDerWaalsContact O-N 3.09Å
252D67.8Low54.6Low145 Ų145144.9 Ų144.978%0.77581%0.805SS**  trans-65.2105.9165.6-85-31000108.5V250 P254V250-D252 PolarHBondContact O-N 2.98Å; D252-P254 WeakPolarHBondContact O-CD 3.32Å
253I63.4Low55.5Low137 Ų137150.4 Ų150.470%0.70381%0.813SS**  trans-88.7111168.6-59.4173.8000106.5I251 N255I251-I253 HydrophobicContact CG2-CG1 4.06Å; I251-I253 PolarHBondContact O-N 3.32Å; I251-I253 VanDerWaalsContact O-N 3.09Å; I253-N255 PolarHBondContact O-N 3.34Å
254P64.3Low56.1Low116 Ų116146.2 Ų146.275%0.75380%0.801SS**  trans-66.8129.5170.426.8-31.6000109.4D252 E256D252-P254 WeakPolarHBondContact O-CD 3.32Å; P254-E256 PolarHBondContact O-N 3.18Å
255N57.6Low57Low160 Ų160153.2 Ų153.286%0.85682%0.815SS**  trans-87.589.6175.9-127.243.3000108.4I253I253-N255 PolarHBondContact O-N 3.34Å
256E53.5Low58.1Low266 Ų266152.4 Ų152.4100%1.24381%0.81SS**  trans-145.60160.1-66.1-163.7-173.100111.6P254P254-E256 PolarHBondContact O-N 3.18Å

Retrieved 256 of 256 residues in 66.3 ms (Link to these results)