A0A5K4F9K9_SCHMA Loading...

Chloride channel CLIC-like protein 1

AlphaFold DB , UniProt , Accession A0A5K4F9K9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 324 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
1M33.9Very low32.4Very low235 Ų235153.9 Ų153.9100%1.15884%0.836SS**  093.40-81.2178.2169.400108.7
2F35.7Very low32Very low220 Ų220148.9 Ų148.997%0.96582%0.821SS**  trans-164.1101.3157.5-82.8-72.7000101.1
3G30.4Very low32.3Very low77 Ų77148.7 Ų148.779%0.79483%0.826SS**  cis102.283.744.100000105.9
4G26.5Very low32.2Very low77 Ų77146.6 Ų146.679%0.79483%0.827SS**  trans-70.7159.8169.600000111
5L35.4Very low32Very low171 Ų171141.9 Ų141.990%0.89581%0.813SS**  trans-147.8142.6157.7-102143.1000109.1
6P42Very low31.8Very low94 Ų94142.1 Ų142.161%0.6181%0.81SS**  trans-97.7163.2-17938.3-28.3000111.2
7M36.3Very low31.7Very low187 Ų187146.2 Ų146.292%0.92181%0.809SS**  trans-146.7107.4151.7-86.5-58.4179.500108.5
8D27.6Very low31.5Very low149 Ų149143.9 Ų143.980%0.79781%0.805SS**  trans-63.8136.6156.8-61.1-60.4000109.3
9Q33.6Very low31.5Very low172 Ų172146.2 Ų146.280%0.80481%0.811SS**  trans-154101.7146.9-155154.2800111
10E26.8Very low31.4Very low150 Ų150146.6 Ų146.670%0.70181%0.812SS**  trans33.9116.3131-70175114.700118.6
11Q28Very low31.3Very low161 Ų161144.5 Ų144.575%0.75281%0.808SS**  98.3124.273.9-163.2166.3-9.600112.4
12S28Very low31.1Very low94 Ų94143.3 Ų143.366%0.65780%0.796SS**  trans62.59815560.70000120.1
13V36.3Very low31Very low146 Ų146138 Ų13889%0.88579%0.787SS**  -129.877.9129.8-175.10000107.9
14S29.7Very low31.1Very low120 Ų120140 Ų14084%0.83978%0.783SS**  trans-96.389161.6-55.80000107.3
15A29.6Very low31.6Very low75 Ų75141.8 Ų141.862%0.6278%0.781SS**  trans165.2110.5152.100000109.3
16L28.6Very low32Very low146 Ų146137.9 Ų137.976%0.76476%0.764SS**  155.1132.2101.8-147.482.3000110.2
17R29.9Very low32.3Very low211 Ų211140 Ų14080%0.79677%0.77SS**  trans80.691.7164.6-75.9178.2-174.1150.73.1118.6M19R17-M19 PolarHBondContact O-N 2.9Å
18S28Very low33.1Very low105 Ų105135.1 Ų135.173%0.73476%0.755SS**  -3.7108113.2400000115.7
19M33Very low34.3Very low187 Ų187131.2 Ų131.292%0.92174%0.739SS**  trans-139.286.8141.1-106.7177.4117.300106.6R17 S21R17-M19 PolarHBondContact O-N 2.9Å; M19-S21 PolarHBondContact O-N 3.5Å
20D28.4Very low35.4Very low154 Ų154128.4 Ų128.482%0.82473%0.73SS**  trans-61108161.6-73.1-48.9000108.2
21S29.1Very low36.9Very low104 Ų104127.9 Ų127.973%0.72773%0.725SS**  trans175.1130.2137.337.40000111.5M19M19-S21 PolarHBondContact O-N 3.5Å
22F29.5Very low38.6Very low210 Ų210126.4 Ų126.492%0.92172%0.722SS**  trans76.285.9152.5-107.1-99.1000119
23S34.2Very low40.1Very low109 Ų109124 Ų12476%0.76271%0.708SS**  trans-166101.7139.251.50000112.2
24T31.8Very low41.5Very low118 Ų118119.6 Ų119.672%0.72469%0.686SS**  trans18.3111.5149440000119.8T26T24-T26 PolarHBondContact O-N 2.96Å
25P38.5Very low43.4Very low115 Ų115117 Ų11775%0.74766%0.663SS**  trans-91.879.6165.735.6-28.4000110.7
26T43.3Very low45.2Very low89 Ų89117.9 Ų117.955%0.54665%0.654SS.*  trans-116.7-10169.439.50000113.7T24T24-T26 PolarHBondContact O-N 2.96Å
27N49.2Very low47.1Very low137 Ų137117.1 Ų117.173%0.73365%0.647SS**Hα-helixtrans-88.9-25.2-179.3-78-8.4000114.4F31N27-F31 PolarHBondContact O-N 3.23Å
28S51.2Low49.1Very low85 Ų85113.1 Ų113.159%0.59464%0.637SS**Hα-helixtrans-72.3-38-17653.30000113.2L32S28-L32 WeakPolarHBondContact O-CB 3.45Å; S28-L32 PolarHBondContact O-N 3.18Å
29S54.2Low51.2Low67 Ų67112.2 Ų112.247%0.46962%0.621SS.*Hα-helixtrans-66.7-42179.655.10000112.5L32 A33S29-L32 PolarHBondContact O-N 3.38Å; S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 2.98Å
30N56.2Low53Low113 Ų113105.8 Ų105.860%0.60459%0.59SS**Hα-helixtrans-69.7-38-179.1-68.8-8.3000111.6A34N30-A34 VanDerWaalsContact O-CB 3.28Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.83Å
31F58.8Low55Low140 Ų140104.6 Ų104.661%0.61458%0.579SS**Hα-helixtrans-67.8-41.1175.8-171.1-103.5000112N27 A34 N35N27-F31 PolarHBondContact O-N 3.23Å; F31-A34 PolarHBondContact O-N 3.39Å; F31-N35 WeakPolarHBondContact CD1-ND2 3.11Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.41Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.38Å; F31-N35 WeakPolarHBondContact O-CB 3.29Å; F31-N35 PolarHBondContact O-N 3.09Å
32L62.8Low57.3Low130 Ų130103.7 Ų103.768%0.68156%0.562SS**Hα-helixtrans-63.3-45.6176.2-166.291.5000111.5S28 S29 N35 H36S28-L32 WeakPolarHBondContact O-CB 3.45Å; S28-L32 PolarHBondContact O-N 3.18Å; S29-L32 PolarHBondContact O-N 3.38Å; L32-N35 PolarHBondContact O-N 3.24Å; L32-H36 WeakPolarHBondContact O-CB 3.4Å; L32-H36 PolarHBondContact O-N 3.45Å
33A60.7Low59.4Low43 Ų4396.1 Ų96.136%0.35553%0.531SS..Hα-helixtrans-63.8-45.7177.900000111.6S29 N35 H36 H37S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 2.98Å; A33-N35 PolarHBondContact O-N 3Å; A33-H36 PolarHBondContact O-N 3.43Å; A33-H37 PolarHBondContact O-CD2 3.31Å; A33-H37 PolarHBondContact O-N 3.31Å
34A65.3Low61.3Low53 Ų5394.5 Ų94.544%0.43851%0.514SS..Hα-helixtrans-59.9-44.3177.700000112.1N30 F31 H36 H37 Q38N30-A34 VanDerWaalsContact O-CB 3.28Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.83Å; F31-A34 PolarHBondContact O-N 3.39Å; A34-H36 VanDerWaalsContact C-N 3.35Å; A34-H36 PolarHBondContact O-N 3.27Å; A34-H37 PolarHBondContact O-N 3.23Å; A34-Q38 WeakPolarHBondContact O-CB 3.42Å; A34-Q38 PolarHBondContact O-N 3.45Å
35N69.7Low63.3Low66 Ų6692.3 Ų92.335%0.35350%0.5SS..Hα-helixtrans-64.3-39.1175.3-77.8-16000112.2F31 L32 A33 Q38 E39F31-N35 WeakPolarHBondContact CD1-ND2 3.11Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.41Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.38Å; F31-N35 WeakPolarHBondContact O-CB 3.29Å; F31-N35 PolarHBondContact O-N 3.09Å; L32-N35 PolarHBondContact O-N 3.24Å; A33-N35 PolarHBondContact O-N 3Å; N35-Q38 PolarHBondContact O-N 2.97Å; N35-E39 PolarHBondContact O-N 3.48Å
36H67.3Low65.1Low94 Ų9493.6 Ų93.644%0.43549%0.489SS..Hα-helixtrans-64.9-44.2177.8-169.262.9000111.9L32 A33 A34 Q38 E39 L40L32-H36 WeakPolarHBondContact O-CB 3.4Å; L32-H36 PolarHBondContact O-N 3.45Å; A33-H36 PolarHBondContact O-N 3.43Å; A34-H36 VanDerWaalsContact C-N 3.35Å; A34-H36 PolarHBondContact O-N 3.27Å; H36-Q38 VanDerWaalsContact C-N 3.33Å; H36-Q38 PolarHBondContact O-N 2.92Å; H36-E39 PolarHBondContact O-N 3.27Å; H36-L40 WeakPolarHBondContact O-CG 3.42Å; H36-L40 PolarHBondContact O-N 2.72Å
37H68.2Low66.5Low130 Ų13090.3 Ų90.360%0.60247%0.47SS*.Hα-helixtrans-62.4-39.6174.6-73.2-63000112.4A33 A34 L40 H41A33-H37 PolarHBondContact O-CD2 3.31Å; A33-H37 PolarHBondContact O-N 3.31Å; A34-H37 PolarHBondContact O-N 3.23Å; H37-L40 PolarHBondContact O-N 2.89Å; H37-H41 WeakPolarHBondContact O-CB 3.33Å; H37-H41 PolarHBondContact O-N 2.86Å
38Q71.9Confident67.5Low127 Ų12787.1 Ų87.159%0.59345%0.452SS*.Hα-helixtrans-65.2-40.4178.5-170174.6-3.700112A34 N35 H36 K42A34-Q38 WeakPolarHBondContact O-CB 3.42Å; A34-Q38 PolarHBondContact O-N 3.45Å; N35-Q38 PolarHBondContact O-N 2.97Å; H36-Q38 VanDerWaalsContact C-N 3.33Å; H36-Q38 PolarHBondContact O-N 2.92Å; Q38-K42 VanDerWaalsContact O-CB 3.25Å; Q38-K42 WeakPolarHBondContact O-CB 3.46Å; Q38-K42 PolarHBondContact O-N 2.96Å
39E73Confident68.6Low86 Ų8691 Ų9140%0.40245%0.454SS..Hα-helixtrans-69.7-42.2176.2-74.9-60.9138.300112N35 H36 H41 K42 I43N35-E39 PolarHBondContact O-N 3.48Å; H36-E39 PolarHBondContact O-N 3.27Å; E39-H41 PolarHBondContact O-N 3.34Å; E39-K42 WeakPolarHBondContact O-CB 3.29Å; E39-K42 PolarHBondContact O-N 2.93Å; E39-K42 IonicContact OE1-NZ 3.11Å; E39-K42 PolarHBondContact OE1-NZ 3.32Å; E39-K42 IonicContact OE2-NZ 2.87Å; E39-I43 WeakPolarHBondContact O-CD1 3.28Å; E39-I43 WeakPolarHBondContact O-CG1 3.39Å; E39-I43 PolarHBondContact O-N 2.83Å
40L69.9Low69.3Low52 Ų5297.3 Ų97.327%0.27247%0.467SS..Hα-helixtrans-59-45.8174.7-72.5171.9000112.1H36 H37 K42 I43 L44 P98H36-L40 WeakPolarHBondContact O-CG 3.42Å; H36-L40 PolarHBondContact O-N 2.72Å; H37-L40 PolarHBondContact O-N 2.89Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.33Å; L40-I43 PolarHBondContact O-N 3.22Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-P98 HydrophobicContact CD2-CB 4.28Å
41H70.8Confident69.8Low128 Ų12893.1 Ų93.159%0.59345%0.445SS*.Hα-helixtrans-61.8-43.4177.6-177.3-94.6000111.7H37 E39 I43 L44 V45H37-H41 WeakPolarHBondContact O-CB 3.33Å; H37-H41 PolarHBondContact O-N 2.86Å; E39-H41 PolarHBondContact O-N 3.34Å; H41-I43 VanDerWaalsContact C-N 3.32Å; H41-I43 PolarHBondContact O-N 3.42Å; H41-L44 PolarHBondContact O-N 2.98Å; H41-V45 VanDerWaalsContact O-CG2 3.31Å; H41-V45 WeakPolarHBondContact O-CG2 3.43Å; H41-V45 PolarHBondContact O-N 3.44Å
42K76.8Confident70.2Confident85 Ų8588.8 Ų88.837%0.3743%0.428SS..Hα-helixtrans-63.8-37178.1-173-172.5-171-176.70112.1Q38 E39 L40 R46Q38-K42 VanDerWaalsContact O-CB 3.25Å; Q38-K42 WeakPolarHBondContact O-CB 3.46Å; Q38-K42 PolarHBondContact O-N 2.96Å; E39-K42 WeakPolarHBondContact O-CB 3.29Å; E39-K42 PolarHBondContact O-N 2.93Å; E39-K42 IonicContact OE1-NZ 3.11Å; E39-K42 PolarHBondContact OE1-NZ 3.32Å; E39-K42 IonicContact OE2-NZ 2.87Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.33Å; K42-R46 VanDerWaalsContact CE-NH2 3.33Å; K42-R46 WeakPolarHBondContact O-CB 3.35Å; K42-R46 WeakPolarHBondContact O-CD 3.23Å; K42-R46 VanDerWaalsContact O-CG 3.22Å; K42-R46 WeakPolarHBondContact O-CG 3.35Å; K42-R46 PolarHBondContact O-N 3.46Å; K42-R46 VanDerWaalsContact O-N 3.09Å
43I73.7Confident70.2Confident52 Ų5286 Ų8627%0.26741%0.414SS..Hα-helixtrans-67-48.6175.5-64.1161.4000110.1E39 L40 H41 V45 R46 T47 N102E39-I43 WeakPolarHBondContact O-CD1 3.28Å; E39-I43 WeakPolarHBondContact O-CG1 3.39Å; E39-I43 PolarHBondContact O-N 2.83Å; L40-I43 PolarHBondContact O-N 3.22Å; H41-I43 VanDerWaalsContact C-N 3.32Å; H41-I43 PolarHBondContact O-N 3.42Å; I43-V45 PolarHBondContact O-N 2.9Å; I43-R46 WeakPolarHBondContact O-CB 3.33Å; I43-R46 PolarHBondContact O-N 3.36Å; I43-R46 VanDerWaalsContact O-N 3.11Å; I43-T47 PolarHBondContact O-N 2.93Å; I43-T47 PolarHBondContact O-OG1 3.21Å; I43-T47 VanDerWaalsContact O-OG1 3.09Å; I43-N102 WeakPolarHBondContact CG2-ND2 3.5Å; I43-N102 WeakPolarHBondContact CG2-OD1 3.37Å
44L73.8Confident70Confident75 Ų7586.8 Ų86.839%0.39342%0.415SS..Hα-helixtrans-58.8-45.5179-175.2138.3000112.2L40 H41 R46 T47 L48L40-L44 PolarHBondContact O-N 3.43Å; H41-L44 PolarHBondContact O-N 2.98Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.47Å; L44-T47 PolarHBondContact O-N 3.48Å; L44-L48 VanDerWaalsContact O-CB 3.32Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 2.89Å
45V74.1Confident69.4Low71 Ų7196.1 Ų96.143%0.4344%0.439SS..Hα-helixtrans-61.7-40.7176.31720000111.3H41 I43 L48 W49H41-V45 VanDerWaalsContact O-CG2 3.31Å; H41-V45 WeakPolarHBondContact O-CG2 3.43Å; H41-V45 PolarHBondContact O-N 3.44Å; I43-V45 PolarHBondContact O-N 2.9Å; V45-L48 PolarHBondContact O-N 2.92Å; V45-W49 WeakPolarHBondContact O-CB 3.45Å; V45-W49 PolarHBondContact O-N 3.34Å
46R76.6Confident68.3Low142 Ų142100 Ų10054%0.53646%0.46SS..Hα-helixtrans-65.2-43.1176.8-78.9170.1174.8164.3-9112.4K42 I43 L44 W49 R50K42-R46 VanDerWaalsContact CE-NH2 3.33Å; K42-R46 WeakPolarHBondContact O-CB 3.35Å; K42-R46 WeakPolarHBondContact O-CD 3.23Å; K42-R46 VanDerWaalsContact O-CG 3.22Å; K42-R46 WeakPolarHBondContact O-CG 3.35Å; K42-R46 PolarHBondContact O-N 3.46Å; K42-R46 VanDerWaalsContact O-N 3.09Å; I43-R46 WeakPolarHBondContact O-CB 3.33Å; I43-R46 PolarHBondContact O-N 3.36Å; I43-R46 VanDerWaalsContact O-N 3.11Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.47Å; R46-W49 PolarHBondContact O-N 3.29Å; R46-R50 VanDerWaalsContact O-CB 3.29Å; R46-R50 WeakPolarHBondContact O-CB 3.2Å; R46-R50 PolarHBondContact O-N 2.88Å
47T71.6Confident67.7Low21 Ų2199.6 Ų99.613%0.12946%0.46CS..Hα-helixtrans-62.5-47.1177.2-58.90000110.4I43 L44 W49 R50 N51I43-T47 PolarHBondContact O-N 2.93Å; I43-T47 PolarHBondContact O-OG1 3.21Å; I43-T47 VanDerWaalsContact O-OG1 3.09Å; L44-T47 PolarHBondContact O-N 3.48Å; T47-W49 PolarHBondContact O-N 3.28Å; T47-R50 PolarHBondContact O-N 3.45Å; T47-N51 PolarHBondContact O-N 2.91Å; T47-N51 VanDerWaalsContact O-N 3.11Å; T47-N51 PolarHBondContact O-ND2 3.45Å
48L71.5Confident66.7Low70 Ų7097.9 Ų97.937%0.36646%0.46SS..Hα-helixtrans-63.6-43.3178.5-164.4128.6000111.7L44 V45 N51 I52L44-L48 VanDerWaalsContact O-CB 3.32Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 2.89Å; V45-L48 PolarHBondContact O-N 2.92Å; L48-N51 PolarHBondContact O-N 3.27Å; L48-I52 HydrophobicContact CD2-CD1 3.4Å; L48-I52 VanDerWaalsContact CD2-CD1 3.4Å; L48-I52 HydrophobicContact CD2-CG1 4.43Å; L48-I52 HydrophobicContact CG-CD1 4.1Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.31Å; L48-I52 PolarHBondContact O-N 2.88Å
49W73.7Confident65.7Low167 Ų167100 Ų10063%0.63348%0.476SS*.Hα-helixtrans-62.4-42.8175-178-105.7000112.7V45 R46 T47 N51 I52 N53V45-W49 WeakPolarHBondContact O-CB 3.45Å; V45-W49 PolarHBondContact O-N 3.34Å; R46-W49 PolarHBondContact O-N 3.29Å; T47-W49 PolarHBondContact O-N 3.28Å; W49-N51 PolarHBondContact O-N 3.49Å; W49-I52 PolarHBondContact O-N 2.87Å; W49-N53 WeakPolarHBondContact O-CB 3.48Å; W49-N53 PolarHBondContact O-N 3.4Å
50R69.1Low64.7Low198 Ų198101 Ų10175%0.74748%0.483SS*.Hα-helixtrans-60.8-34.4177.4-177.5178.5177.6174.1-1.3112R46 T47R46-R50 VanDerWaalsContact O-CB 3.29Å; R46-R50 WeakPolarHBondContact O-CB 3.2Å; R46-R50 PolarHBondContact O-N 2.88Å; T47-R50 PolarHBondContact O-N 3.45Å
51N65.9Low63.9Low25 Ų25103.9 Ų103.913%0.13451%0.505CS..Hα-helixtrans-82.5-39.1178.8-71.3-42.2000112.5T47 L48 W49 N53 V109 P111T47-N51 PolarHBondContact O-N 2.91Å; T47-N51 VanDerWaalsContact O-N 3.11Å; T47-N51 PolarHBondContact O-ND2 3.45Å; L48-N51 PolarHBondContact O-N 3.27Å; W49-N51 PolarHBondContact O-N 3.49Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 3.49Å; N51-V109 HydrophobicContact CB-CG1 3.59Å; N51-V109 WeakPolarHBondContact ND2-CB 3.31Å; N51-V109 VanDerWaalsContact ND2-CG1 3.32Å; N51-V109 WeakPolarHBondContact ND2-CG1 3.14Å; N51-V109 PolarHBondContact ND2-O 3.42Å; N51-V109 PolarHBondContact OD1-O 2.89Å; N51-P111 VanDerWaalsContact O-CB 3.29Å; N51-P111 WeakPolarHBondContact O-CB 3.19Å
52I67Low63.3Low49 Ų49103.6 Ų103.625%0.25152%0.517SS..Hα-helixtrans-65.1-36.1176.1-73.3174.4000112.1L48 W49 P54 V68L48-I52 HydrophobicContact CD2-CD1 3.4Å; L48-I52 VanDerWaalsContact CD2-CD1 3.4Å; L48-I52 HydrophobicContact CD2-CG1 4.43Å; L48-I52 HydrophobicContact CG-CD1 4.1Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.31Å; L48-I52 PolarHBondContact O-N 2.88Å; W49-I52 PolarHBondContact O-N 2.87Å; I52-P54 WeakPolarHBondContact O-CD 3.41Å; I52-V68 HydrophobicContact CG1-CG1 4.41Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å; I52-V68 HydrophobicContact CG2-CG2 4.14Å
53N64.1Low62.4Low73 Ų73109 Ų10939%0.3954%0.54SS..SBendtrans-10777.3-179-165.225.1000110.1W49 N51 R55W49-N53 WeakPolarHBondContact O-CB 3.48Å; W49-N53 PolarHBondContact O-N 3.4Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 3.49Å; N53-R55 PolarHBondContact O-N 3.49Å
54P55Low61.5Low59 Ų59111.1 Ų111.138%0.38356%0.556SS.*  trans-59.4132.7167.227.3-31.6000107I52 N56 L57I52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-N56 PolarHBondContact O-N 2.84Å; P54-L57 PolarHBondContact O-N 3.21Å
55R52.7Low60.8Low248 Ų248113.6 Ų113.694%0.93658%0.577SS**THydrogen-bonded Turntrans-49.3-3.4-179.3-85.5-176.3178.5-163.8-0.6116.1N53N53-R55 PolarHBondContact O-N 3.49Å
56N47.6Very low60.2Low149 Ų149115.6 Ų115.680%0.79758%0.584SS**THydrogen-bonded Turntrans-11412.4-173.2-63.4-5.8000113.9P54 P58P54-N56 PolarHBondContact O-N 2.84Å; N56-P58 WeakPolarHBondContact O-CD 3.39Å
57L53.6Low59.2Low85 Ų85117.4 Ų117.445%0.44560%0.596SS.*  trans-76.1117.1171-144.473.2000109.3P54 I66P54-L57 PolarHBondContact O-N 3.21Å; L57-I66 HydrophobicContact CD2-CD1 4.4Å
58P48.5Very low58.7Low93 Ų93118.9 Ų118.960%0.60460%0.604SS**  trans-61.5145.1177.525.1-31.6000109.2N56 I60N56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-I60 VanDerWaalsContact C-N 3.26Å; P58-I60 HydrophobicContact CG-CD1 4.33Å; P58-I60 WeakPolarHBondContact O-CG1 3.45Å; P58-I60 PolarHBondContact O-N 2.96Å
59N50.3Low58Low172 Ų172121.5 Ų121.592%0.9262%0.615SS**  trans-51.181.8179.8-73.1-22.2000112.3
60I52.7Low57.4Low107 Ų107116.3 Ų116.355%0.54960%0.599SS.*  trans-94.9117.9173.5-64.6158000106.3P58 S62P58-I60 VanDerWaalsContact C-N 3.26Å; P58-I60 HydrophobicContact CG-CD1 4.33Å; P58-I60 WeakPolarHBondContact O-CG1 3.45Å; P58-I60 PolarHBondContact O-N 2.96Å; I60-S62 PolarHBondContact O-N 3.45Å
61P51.8Low57.1Low112 Ų112112.3 Ų112.373%0.72759%0.589SS**  trans-66.897.4-177.124.2-31.3000111.7K63P61-K63 VanDerWaalsContact C-N 3.27Å; P61-K63 PolarHBondContact O-N 3.4Å
62S59.4Low57Low122 Ų122116.8 Ų116.885%0.85361%0.608SS**SBendtrans30.324.1141.276.70000122.2I60I60-S62 PolarHBondContact O-N 3.45Å
63K56.8Low57Low198 Ų198118.6 Ų118.686%0.86162%0.621SS**  trans-124.8-0.9171-134.4-179.2-176.3-178.40115.9P61P61-K63 VanDerWaalsContact C-N 3.27Å; P61-K63 PolarHBondContact O-N 3.4Å
64T55.4Low57.2Low97 Ų97117.9 Ų117.960%0.59562%0.617SS**SBendtrans-98.1131.8170.549.10000110.2I66T64-I66 PolarHBondContact O-N 2.91Å
65P59.4Low58.2Low127 Ų127119.3 Ų119.383%0.82562%0.618SS**  trans-62.9124.1173.126.2-32.3000108.9K67P65-K67 PolarHBondContact O-N 2.92Å
66I60.4Low59.3Low114 Ų114115.8 Ų115.859%0.58561%0.612SS**  trans-78.9111.4175.1-56.4173.7000106.8L57 T64 V68L57-I66 HydrophobicContact CD2-CD1 4.4Å; T64-I66 PolarHBondContact O-N 2.91Å; I66-V68 HydrophobicContact CG2-CG2 3.72Å; I66-V68 PolarHBondContact O-N 3.25Å
67K56.9Low60.8Low180 Ų180114.1 Ų114.178%0.78360%0.598SS**  trans-81.9107.4173.1-172.4179.1-179.6-176.10108.2P65P65-K67 PolarHBondContact O-N 2.92Å
68V60.7Low61.7Low51 Ų51110.6 Ų110.631%0.30958%0.579SS.*  trans-106.5125.4174.4-171.50000108.2I52 I66 L70I52-V68 HydrophobicContact CG1-CG1 4.41Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å; I52-V68 HydrophobicContact CG2-CG2 4.14Å; I66-V68 HydrophobicContact CG2-CG2 3.72Å; I66-V68 PolarHBondContact O-N 3.25Å; V68-L70 HydrophobicContact CG1-CD2 4.17Å; V68-L70 HydrophobicContact CG1-CG 4.3Å
69Q56.5Low63.1Low126 Ų126110.6 Ų110.659%0.58957%0.574SS**  trans-98.3116.4169.2-170.5167.5-0.700107.9I114Q69-I114 HydrophobicContact CB-CD1 4.21Å
70L61.7Low64.4Low58 Ų58110 Ų11030%0.30456%0.56SS.*EExtended strand (participates in β ladder)trans-94.7115177.5-62.6159.6000107V68 F72 V109V68-L70 HydrophobicContact CG1-CD2 4.17Å; V68-L70 HydrophobicContact CG1-CG 4.3Å; L70-F72 HydrophobicContact CB-CD2 4.5Å; L70-F72 HydrophobicContact CB-CE2 3.74Å; L70-F72 HydrophobicContact CB-CZ 4.06Å; L70-V109 HydrophobicContact CD2-CG1 3.69Å
71E61.9Low65.5Low114 Ų114106.9 Ų106.953%0.53354%0.543SS..EExtended strand (participates in β ladder)trans-96.4125.2170.6-172.3175.917900108.4V73 V112E71-V73 HydrophobicContact CG-CG2 4.35Å; E71-V112 HydrophobicContact CB-CG2 3.76Å
72F65.2Low66.6Low119 Ų119103.7 Ų103.752%0.52252%0.52SS..EExtended strand (participates in β ladder)trans-100.3102.1179.7-61.9-102.4000107.8L70 L74 I108 V109L70-F72 HydrophobicContact CB-CD2 4.5Å; L70-F72 HydrophobicContact CB-CE2 3.74Å; L70-F72 HydrophobicContact CB-CZ 4.06Å; F72-L74 HydrophobicContact CB-CD1 3.69Å; F72-L74 PolarHBondContact O-N 3.43Å; F72-I108 HydrophobicContact CB-CG2 3.53Å; F72-I108 HydrophobicContact CD1-CG2 3.27Å; F72-I108 HydrophobicContact CE1-CG2 4.28Å; F72-I108 HydrophobicContact CG-CG2 3.78Å; F72-V109 HydrophobicContact CE1-CG2 4.42Å
73V66.8Low67.4Low87 Ų87100.1 Ų100.153%0.52750%0.495SS..  trans-92.597.8171.9-176.80000107.7E71E71-V73 HydrophobicContact CG-CG2 4.35Å
74L67.3Low68.3Low58 Ų5893.8 Ų93.830%0.30447%0.467SS..  trans-95.9130.2172.3-77.778.1000109.3F72 I79 L82 I108F72-L74 HydrophobicContact CB-CD1 3.69Å; F72-L74 PolarHBondContact O-N 3.43Å; L74-I79 HydrophobicContact CB-CD1 4.29Å; L74-I79 HydrophobicContact CB-CG1 3.82Å; L74-I79 HydrophobicContact CD2-CG1 3.91Å; L74-L82 HydrophobicContact CD2-CD2 4.49Å; L74-I108 HydrophobicContact CD1-CD1 3.96Å; L74-I108 HydrophobicContact CD1-CG1 4.03Å; L74-I108 HydrophobicContact CD1-CG2 3.76Å; L74-I108 HydrophobicContact CD2-CD1 4.25Å; L74-I108 HydrophobicContact CG-CD1 3.85Å; L74-I108 HydrophobicContact CG-CG1 4.02Å
75Q76.2Confident69Low89 Ų8994.1 Ų94.142%0.41646%0.458SS..  trans-77.7156.7166.4-57179.216.200109.3K77 D78 I79Q75-K77 HydrophobicContact CB-CD 4.5Å; Q75-K77 HydrophobicContact CB-CG 3.85Å; Q75-K77 PolarHBondContact O-N 2.91Å; Q75-D78 VanDerWaalsContact CB-OD2 3.27Å; Q75-D78 WeakPolarHBondContact CB-OD2 3.4Å; Q75-D78 PolarHBondContact N-OD2 3.01Å; Q75-D78 WeakPolarHBondContact O-CA 3.42Å; Q75-D78 WeakPolarHBondContact O-CB 3.5Å; Q75-D78 PolarHBondContact O-N 3.43Å; Q75-I79 PolarHBondContact O-N 3.44Å; Q75-I79 VanDerWaalsContact O-N 3.11Å
76E77.2Confident69.6Low174 Ų17492.7 Ų92.781%0.81345%0.45SS*.Hα-helixtrans-54.3-39179.2-174.1178.1-176.500112.5D78 I79 Y80E76-D78 VanDerWaalsContact C-N 3.3Å; E76-D78 PolarHBondContact O-N 2.81Å; E76-I79 PolarHBondContact O-N 3.45Å; E76-Y80 PolarHBondContact O-N 2.82Å
77K77.9Confident70.1Confident114 Ų11493.3 Ų93.350%0.49646%0.455SS..Hα-helixtrans-59.1-38.4173.962.4173.8-158.3-159.70112.8Q75 Y80 I81Q75-K77 HydrophobicContact CB-CD 4.5Å; Q75-K77 HydrophobicContact CB-CG 3.85Å; Q75-K77 PolarHBondContact O-N 2.91Å; K77-Y80 PolarHBondContact O-N 3.16Å; K77-I81 WeakPolarHBondContact O-CD1 3.2Å; K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å; K77-I81 PolarHBondContact O-N 2.88Å
78D73.5Confident70.5Confident10 Ų1087.6 Ų87.65%0.05343%0.433CS..Hα-helixtrans-73.6-39.9-176.6-51.8-34.9000109.2Q75 E76 Y80 I81 L82 I104Q75-D78 VanDerWaalsContact CB-OD2 3.27Å; Q75-D78 WeakPolarHBondContact CB-OD2 3.4Å; Q75-D78 PolarHBondContact N-OD2 3.01Å; Q75-D78 WeakPolarHBondContact O-CA 3.42Å; Q75-D78 WeakPolarHBondContact O-CB 3.5Å; Q75-D78 PolarHBondContact O-N 3.43Å; E76-D78 VanDerWaalsContact C-N 3.3Å; E76-D78 PolarHBondContact O-N 2.81Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.89Å; D78-I81 PolarHBondContact O-N 3.46Å; D78-L82 WeakPolarHBondContact O-CB 3.21Å; D78-L82 PolarHBondContact O-N 3.4Å; D78-I104 HydrophobicContact CB-CG2 4.31Å
79I76.7Confident70.1Confident94 Ų9491.9 Ų91.948%0.48245%0.454SS..Hα-helixtrans-59.3-45.7173-60.2173.7000110.2L74 Q75 E76 L82 S83L74-I79 HydrophobicContact CB-CD1 4.29Å; L74-I79 HydrophobicContact CB-CG1 3.82Å; L74-I79 HydrophobicContact CD2-CG1 3.91Å; Q75-I79 PolarHBondContact O-N 3.44Å; Q75-I79 VanDerWaalsContact O-N 3.11Å; E76-I79 PolarHBondContact O-N 3.45Å; I79-L82 PolarHBondContact O-N 2.95Å; I79-S83 VanDerWaalsContact O-CB 3.27Å; I79-S83 WeakPolarHBondContact O-CB 3.28Å; I79-S83 PolarHBondContact O-N 3.07Å; I79-S83 PolarHBondContact O-OG 3.48Å
80Y77.4Confident70.1Confident160 Ų16093.9 Ų93.963%0.62747%0.468SS*.Hα-helixtrans-61-47.8178.3-178.6-98.5000111.7E76 K77 D78 L82 S83 K84E76-Y80 PolarHBondContact O-N 2.82Å; K77-Y80 PolarHBondContact O-N 3.16Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.89Å; Y80-L82 PolarHBondContact O-N 3.42Å; Y80-S83 PolarHBondContact O-N 3.22Å; Y80-S83 PolarHBondContact O-OG 2.9Å; Y80-K84 HydrophobicContact CE1-CD 4.41Å; Y80-K84 WeakPolarHBondContact O-CB 3.32Å; Y80-K84 PolarHBondContact O-N 2.97Å
81I76.1Confident69.6Low40 Ų4097 Ų9721%0.20549%0.486CS..Hα-helixtrans-61-45.9178-69.7159.7000111.3K77 D78 K84 Y85 V96 L100 I104K77-I81 WeakPolarHBondContact O-CD1 3.2Å; K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å; K77-I81 PolarHBondContact O-N 2.88Å; D78-I81 PolarHBondContact O-N 3.46Å; I81-K84 PolarHBondContact O-N 3.37Å; I81-Y85 PolarHBondContact O-N 3.35Å; I81-V96 HydrophobicContact CG2-CG1 3.93Å; I81-L100 HydrophobicContact CD1-CD2 4.06Å; I81-L100 HydrophobicContact CG1-CD2 4.37Å; I81-L100 HydrophobicContact CG2-CD2 3.49Å; I81-L100 VanDerWaalsContact CG2-CD2 3.49Å; I81-I104 HydrophobicContact CB-CD1 4.16Å; I81-I104 HydrophobicContact CD1-CD1 4.34Å; I81-I104 HydrophobicContact CG2-CD1 3.69Å
82L74.8Confident69.3Low45 Ų4595.8 Ų95.824%0.23649%0.489CS..Hα-helixtrans-64.6-42.3-180-144.877.3000110.9L74 D78 I79 Y80 K84 Y85 C86 I101 I104L74-L82 HydrophobicContact CD2-CD2 4.49Å; D78-L82 WeakPolarHBondContact O-CB 3.21Å; D78-L82 PolarHBondContact O-N 3.4Å; I79-L82 PolarHBondContact O-N 2.95Å; Y80-L82 PolarHBondContact O-N 3.42Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.07Å; L82-Y85 PolarHBondContact O-N 3.13Å; L82-C86 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-SG 3.37Å; L82-C86 VanDerWaalsContact O-SG 3.36Å; L82-I101 HydrophobicContact CD1-CG2 4.44Å; L82-I104 HydrophobicContact CD1-CG2 4.37Å
83S76.7Confident68.7Low47 Ų4798.9 Ų98.933%0.32951%0.506SS..Hα-helixtrans-63.2-40.3175.378.40000111.8I79 Y80 C86 N87I79-S83 VanDerWaalsContact O-CB 3.27Å; I79-S83 WeakPolarHBondContact O-CB 3.28Å; I79-S83 PolarHBondContact O-N 3.07Å; I79-S83 PolarHBondContact O-OG 3.48Å; Y80-S83 PolarHBondContact O-N 3.22Å; Y80-S83 PolarHBondContact O-OG 2.9Å; S83-C86 PolarHBondContact O-N 3.4Å; S83-N87 VanDerWaalsContact O-CB 3.24Å; S83-N87 WeakPolarHBondContact O-CB 3.45Å; S83-N87 VanDerWaalsContact O-CG 3.24Å; S83-N87 PolarHBondContact O-N 2.82Å; S83-N87 PolarHBondContact O-ND2 2.8Å; S83-N87 VanDerWaalsContact O-ND2 3.15Å
84K75Confident68.1Low65 Ų6598.9 Ų98.928%0.28350%0.503SS..Hα-helixtrans-64.6-44177-172.7175.8178.4-176.60110.3Y80 I81 L82 L88 N94 V96Y80-K84 HydrophobicContact CE1-CD 4.41Å; Y80-K84 WeakPolarHBondContact O-CB 3.32Å; Y80-K84 PolarHBondContact O-N 2.97Å; I81-K84 PolarHBondContact O-N 3.37Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.07Å; K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 WeakPolarHBondContact O-CD1 3.21Å; K84-L88 PolarHBondContact O-N 3.07Å; K84-N94 PolarHBondContact NZ-OD1 2.99Å; K84-V96 HydrophobicContact CD-CG2 4.25Å; K84-V96 HydrophobicContact CG-CG2 4.25Å
85Y71.7Confident67.7Low104 Ų104106 Ų10641%0.40853%0.526SS..Hα-helixtrans-63.1-45.9176.4-177.6-105.6000112.9I81 L82 N87 L88 V96 I101I81-Y85 PolarHBondContact O-N 3.35Å; L82-Y85 PolarHBondContact O-N 3.13Å; Y85-N87 PolarHBondContact O-N 2.96Å; Y85-L88 PolarHBondContact O-N 3.48Å; Y85-V96 HydrophobicContact CD2-CB 4.11Å; Y85-V96 HydrophobicContact CD2-CG1 4.41Å; Y85-I101 HydrophobicContact CD1-CD1 3.46Å; Y85-I101 VanDerWaalsContact CD1-CD1 3.46Å; Y85-I101 HydrophobicContact CD2-CD1 3.15Å; Y85-I101 HydrophobicContact CD2-CG1 4.48Å; Y85-I101 HydrophobicContact CE1-CD1 3.56Å; Y85-I101 HydrophobicContact CE2-CD1 3.24Å; Y85-I101 HydrophobicContact CG-CD1 3.21Å; Y85-I101 HydrophobicContact CG-CG1 4.34Å; Y85-I101 VanDerWaalsContact CZ-CD1 3.43Å
86C70.8Confident67.1Low97 Ų97102.9 Ų102.966%0.65551%0.513SS*.Hα-helixtrans-68.4-32.5-180-70.30000113.4L82 S83 L88L82-C86 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-SG 3.37Å; L82-C86 VanDerWaalsContact O-SG 3.36Å; S83-C86 PolarHBondContact O-N 3.4Å; C86-L88 VanDerWaalsContact C-N 3.33Å
87N71.9Confident66.7Low128 Ų12897.2 Ų97.268%0.68449%0.492SS*.THydrogen-bonded Turntrans-86.8-1.2-179.2-69.1-29.2000113.4S83 Y85 N89S83-N87 VanDerWaalsContact O-CB 3.24Å; S83-N87 WeakPolarHBondContact O-CB 3.45Å; S83-N87 VanDerWaalsContact O-CG 3.24Å; S83-N87 PolarHBondContact O-N 2.82Å; S83-N87 PolarHBondContact O-ND2 2.8Å; S83-N87 VanDerWaalsContact O-ND2 3.15Å; Y85-N87 PolarHBondContact O-N 2.96Å; N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 3.02Å
88L65.3Low66.1Low59 Ų5993.8 Ų93.831%0.30948%0.481SS..  trans-73.588.4178.7-119.3106.6000110.4K84 Y85 C86 N90 N94K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 WeakPolarHBondContact O-CD1 3.21Å; K84-L88 PolarHBondContact O-N 3.07Å; Y85-L88 PolarHBondContact O-N 3.48Å; C86-L88 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.42Å; L88-N90 VanDerWaalsContact O-N 3.14Å; L88-N94 HydrophobicContact CD1-CB 4.15Å; L88-N94 WeakPolarHBondContact CD1-O 3.17Å; L88-N94 HydrophobicContact CD2-CB 4.36Å; L88-N94 WeakPolarHBondContact CD2-O 3.32Å
89N52.6Low65.8Low142 Ų14298.7 Ų98.776%0.75951%0.507SS*.  trans-70.797158.9-96.5-5.7000108.1N87 D91N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 3.02Å; N89-D91 PolarHBondContact O-N 3.12Å
90N55.2Low65.5Low167 Ų16797.5 Ų97.589%0.89350%0.502SS*.SBendtrans49.12.7159.6-85.3-13.3000120.6L88 S92L88-N90 PolarHBondContact O-N 3.42Å; L88-N90 VanDerWaalsContact O-N 3.14Å; N90-S92 PolarHBondContact O-N 2.98Å; N90-S92 VanDerWaalsContact O-N 3.09Å
91D51.4Low65.2Low125 Ų12590.5 Ų90.567%0.66848%0.475SS*.  trans-74.6108.7-178.9-72.1-23.3000109.6N89 E93 N94N89-D91 PolarHBondContact O-N 3.12Å; D91-E93 PolarHBondContact O-N 3.08Å; D91-N94 PolarHBondContact O-N 3.28Å
92S55.2Low64.8Low87 Ų8790.5 Ų90.561%0.60848%0.476SS*.THydrogen-bonded Turntrans-59.8-12.9-169.848.30000115.5N90N90-S92 PolarHBondContact O-N 2.98Å; N90-S92 VanDerWaalsContact O-N 3.09Å
93E53Low64.7Low185 Ų18593.3 Ų93.386%0.86449%0.491SS*.THydrogen-bonded Turntrans-92.7-13.3-172.6-80.4-170.614900115.4D91D91-E93 PolarHBondContact O-N 3.08Å
94N54.2Low64.3Low87 Ų8791.5 Ų91.547%0.46548%0.477SS..  trans-119.946.4-175.1-106.6-36000112.5K84 L88 D91 V96K84-N94 PolarHBondContact NZ-OD1 2.99Å; L88-N94 HydrophobicContact CD1-CB 4.15Å; L88-N94 WeakPolarHBondContact CD1-O 3.17Å; L88-N94 HydrophobicContact CD2-CB 4.36Å; L88-N94 WeakPolarHBondContact CD2-O 3.32Å; D91-N94 PolarHBondContact O-N 3.28Å; N94-V96 VanDerWaalsContact C-N 3.33Å; N94-V96 PolarHBondContact O-N 2.98Å
95R59.9Low64Low208 Ų20891.9 Ų91.979%0.78548%0.479SS*.  trans-64.989.9178.1-61-175.1-174.5-143.1-0110.3S97R95-S97 PolarHBondContact O-N 2.95Å
96V63.5Low63.8Low23 Ų2389.8 Ų89.814%0.13948%0.479CS..  trans-56122.2158.2177.90000106.1I81 K84 Y85 N94 L100 I101I81-V96 HydrophobicContact CG2-CG1 3.93Å; K84-V96 HydrophobicContact CD-CG2 4.25Å; K84-V96 HydrophobicContact CG-CG2 4.25Å; Y85-V96 HydrophobicContact CD2-CB 4.11Å; Y85-V96 HydrophobicContact CD2-CG1 4.41Å; N94-V96 VanDerWaalsContact C-N 3.33Å; N94-V96 PolarHBondContact O-N 2.98Å; V96-L100 HydrophobicContact CG1-CD2 3.98Å; V96-I101 HydrophobicContact CG1-CD1 4.14Å; V96-I101 HydrophobicContact CG1-CG1 4.15Å
97S67.1Low63.7Low55 Ų5589.8 Ų89.839%0.38547%0.47SS..  trans-66.2137.4-177.653.40000110R95 D99 L100R95-S97 PolarHBondContact O-N 2.95Å; S97-D99 PolarHBondContact O-N 2.73Å; S97-L100 WeakPolarHBondContact O-CB 3.26Å; S97-L100 PolarHBondContact O-N 2.96Å; S97-L100 VanDerWaalsContact O-N 3.16Å
98P65.9Low63.4Low41 Ų4184 Ų8427%0.26644%0.439SS..Hα-helixtrans-59.8-27.2177.122.9-32.1000112.4L40 I101 N102L40-P98 HydrophobicContact CD2-CB 4.28Å; P98-I101 PolarHBondContact O-N 2.77Å; P98-N102 PolarHBondContact O-N 3.36Å
99D68Low63.2Low113 Ų11381.8 Ų81.860%0.60443%0.428SS*.Hα-helixtrans-64.1-40.1177-58.9-32.4000112.3S97 I101 N102 D103S97-D99 PolarHBondContact O-N 2.73Å; D99-I101 VanDerWaalsContact C-N 3.26Å; D99-I101 PolarHBondContact O-N 3.06Å; D99-N102 WeakPolarHBondContact O-CB 3.49Å; D99-N102 PolarHBondContact O-N 2.87Å; D99-N102 VanDerWaalsContact O-N 3.13Å; D99-D103 PolarHBondContact O-N 2.9Å
100L70.7Confident63.5Low70 Ų7082.3 Ų82.337%0.36642%0.419SS..Hα-helixtrans-62.8-36.5178.4-167.190.9000111.4I81 V96 S97 D103 I104I81-L100 HydrophobicContact CD1-CD2 4.06Å; I81-L100 HydrophobicContact CG1-CD2 4.37Å; I81-L100 HydrophobicContact CG2-CD2 3.49Å; I81-L100 VanDerWaalsContact CG2-CD2 3.49Å; V96-L100 HydrophobicContact CG1-CD2 3.98Å; S97-L100 WeakPolarHBondContact O-CB 3.26Å; S97-L100 PolarHBondContact O-N 2.96Å; S97-L100 VanDerWaalsContact O-N 3.16Å; L100-D103 PolarHBondContact O-N 3.41Å; L100-I104 WeakPolarHBondContact O-CD1 3.16Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.79Å
101I69.1Low63.6Low13 Ų1377.1 Ų77.17%0.06740%0.395CS..Hα-helixtrans-71.1-38.9177.7-63.9164.5000110.2L82 Y85 V96 P98 D99 D103 I104 F105L82-I101 HydrophobicContact CD1-CG2 4.44Å; Y85-I101 HydrophobicContact CD1-CD1 3.46Å; Y85-I101 VanDerWaalsContact CD1-CD1 3.46Å; Y85-I101 HydrophobicContact CD2-CD1 3.15Å; Y85-I101 HydrophobicContact CD2-CG1 4.48Å; Y85-I101 HydrophobicContact CE1-CD1 3.56Å; Y85-I101 HydrophobicContact CE2-CD1 3.24Å; Y85-I101 HydrophobicContact CG-CD1 3.21Å; Y85-I101 HydrophobicContact CG-CG1 4.34Å; Y85-I101 VanDerWaalsContact CZ-CD1 3.43Å; V96-I101 HydrophobicContact CG1-CD1 4.14Å; V96-I101 HydrophobicContact CG1-CG1 4.15Å; P98-I101 PolarHBondContact O-N 2.77Å; D99-I101 VanDerWaalsContact C-N 3.26Å; D99-I101 PolarHBondContact O-N 3.06Å; I101-D103 VanDerWaalsContact C-N 3.34Å; I101-I104 WeakPolarHBondContact O-CB 3.16Å; I101-I104 PolarHBondContact O-N 2.87Å; I101-F105 HydrophobicContact CG2-CD2 3.59Å; I101-F105 HydrophobicContact CG2-CE2 3.36Å; I101-F105 WeakPolarHBondContact O-CD2 3.46Å; I101-F105 PolarHBondContact O-N 3.45Å
102N69.1Low63.8Low40 Ų4074 Ų7421%0.21438%0.38CS..Hα-helixtrans-65.9-37.8176.2-17250.7000112.3I43 P98 D99 F105 S106I43-N102 WeakPolarHBondContact CG2-ND2 3.5Å; I43-N102 WeakPolarHBondContact CG2-OD1 3.37Å; P98-N102 PolarHBondContact O-N 3.36Å; D99-N102 WeakPolarHBondContact O-CB 3.49Å; D99-N102 PolarHBondContact O-N 2.87Å; D99-N102 VanDerWaalsContact O-N 3.13Å; N102-F105 PolarHBondContact O-N 2.97Å; N102-S106 WeakPolarHBondContact O-CB 3.28Å; N102-S106 PolarHBondContact O-N 3.28Å
103D71.3Confident63.7Low104 Ų10474.1 Ų74.156%0.55639%0.386SS*.Hα-helixtrans-63.6-44.8172.4-72.4-17.8000111.2D99 L100 I101 F105 S106 E107D99-D103 PolarHBondContact O-N 2.9Å; L100-D103 PolarHBondContact O-N 3.41Å; I101-D103 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 2.78Å; D103-S106 PolarHBondContact O-N 3.1Å; D103-S106 VanDerWaalsContact O-N 3.16Å; D103-E107 WeakPolarHBondContact O-CB 3.12Å; D103-E107 PolarHBondContact O-N 3.33Å
104I69.7Low63.6Low9 Ų968.8 Ų68.85%0.04636%0.363CS..Hα-helixtrans-57.4-49.9173.4-72.1165.9000110.3D78 I81 L82 L100 I101 S106 E107 I108D78-I104 HydrophobicContact CB-CG2 4.31Å; I81-I104 HydrophobicContact CB-CD1 4.16Å; I81-I104 HydrophobicContact CD1-CD1 4.34Å; I81-I104 HydrophobicContact CG2-CD1 3.69Å; L82-I104 HydrophobicContact CD1-CG2 4.37Å; L100-I104 WeakPolarHBondContact O-CD1 3.16Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.79Å; I101-I104 WeakPolarHBondContact O-CB 3.16Å; I101-I104 PolarHBondContact O-N 2.87Å; I104-S106 VanDerWaalsContact C-N 3.3Å; I104-S106 PolarHBondContact O-N 3.5Å; I104-E107 PolarHBondContact O-N 3.26Å; I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG2-CD1 3.23Å; I104-I108 HydrophobicContact CG2-CG1 3.95Å; I104-I108 WeakPolarHBondContact O-CB 3.39Å; I104-I108 WeakPolarHBondContact O-CD1 2.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.42Å; I104-I108 PolarHBondContact O-N 3.33Å
105F68.5Low63.3Low73 Ų7368.1 Ų68.132%0.3237%0.365SS..Hα-helixtrans-62.9-34.8176.6-80.3-63.8000113.3I101 N102 D103 V109I101-F105 HydrophobicContact CG2-CD2 3.59Å; I101-F105 HydrophobicContact CG2-CE2 3.36Å; I101-F105 WeakPolarHBondContact O-CD2 3.46Å; I101-F105 PolarHBondContact O-N 3.45Å; N102-F105 PolarHBondContact O-N 2.97Å; D103-F105 PolarHBondContact O-N 2.78Å; F105-V109 WeakPolarHBondContact O-CG2 3.44Å; F105-V109 PolarHBondContact O-N 3.49Å
106S67.2Low62.9Low59 Ų5965.3 Ų65.341%0.41337%0.366SS..Hα-helixtrans-69.2-34.3175.5-171.90000112.6N102 D103 I104N102-S106 WeakPolarHBondContact O-CB 3.28Å; N102-S106 PolarHBondContact O-N 3.28Å; D103-S106 PolarHBondContact O-N 3.1Å; D103-S106 VanDerWaalsContact O-N 3.16Å; I104-S106 VanDerWaalsContact C-N 3.3Å; I104-S106 PolarHBondContact O-N 3.5Å
107E68.8Low62.2Low98 Ų9869.7 Ų69.746%0.45839%0.388SS..Hα-helixtrans-80.8-37.9178.7-174.4171.5-17800112.4D103 I104 V109D103-E107 WeakPolarHBondContact O-CB 3.12Å; D103-E107 PolarHBondContact O-N 3.33Å; I104-E107 PolarHBondContact O-N 3.26Å; E107-V109 PolarHBondContact O-N 2.86Å
108I65.6Low61.5Low5 Ų570.2 Ų70.23%0.02639%0.391CS..Hα-helixtrans-65.5-40.1-176.8-68.7163.2000111.3F72 L74 I104 R110F72-I108 HydrophobicContact CB-CG2 3.53Å; F72-I108 HydrophobicContact CD1-CG2 3.27Å; F72-I108 HydrophobicContact CE1-CG2 4.28Å; F72-I108 HydrophobicContact CG-CG2 3.78Å; L74-I108 HydrophobicContact CD1-CD1 3.96Å; L74-I108 HydrophobicContact CD1-CG1 4.03Å; L74-I108 HydrophobicContact CD1-CG2 3.76Å; L74-I108 HydrophobicContact CD2-CD1 4.25Å; L74-I108 HydrophobicContact CG-CD1 3.85Å; L74-I108 HydrophobicContact CG-CG1 4.02Å; I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG2-CD1 3.23Å; I104-I108 HydrophobicContact CG2-CG1 3.95Å; I104-I108 WeakPolarHBondContact O-CB 3.39Å; I104-I108 WeakPolarHBondContact O-CD1 2.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.42Å; I104-I108 PolarHBondContact O-N 3.33Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.42Å
109V60.8Low61Low13 Ų1376.8 Ų76.88%0.07941%0.411CS..EExtended strand (participates in β ladder)trans-81.684.5-173.8-1750000109.4N51 L70 F72 F105 E107N51-V109 HydrophobicContact CB-CG1 3.59Å; N51-V109 WeakPolarHBondContact ND2-CB 3.31Å; N51-V109 VanDerWaalsContact ND2-CG1 3.32Å; N51-V109 WeakPolarHBondContact ND2-CG1 3.14Å; N51-V109 PolarHBondContact ND2-O 3.42Å; N51-V109 PolarHBondContact OD1-O 2.89Å; L70-V109 HydrophobicContact CD2-CG1 3.69Å; F72-V109 HydrophobicContact CE1-CG2 4.42Å; F105-V109 WeakPolarHBondContact O-CG2 3.44Å; F105-V109 PolarHBondContact O-N 3.49Å; E107-V109 PolarHBondContact O-N 2.86Å
110R59.2Low60.2Low153 Ų15375.6 Ų75.658%0.57740%0.404SS*.EExtended strand (participates in β ladder)trans-90.9126.5167.9-65.9-170.5-178.3-167.41.7109.6I108 V112I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.42Å; R110-V112 PolarHBondContact O-N 2.69Å; R110-V112 VanDerWaalsContact O-N 3.08Å
111P57.4Low59.3Low59 Ų5979 Ų7938%0.38342%0.417SS..EExtended strand (participates in β ladder)trans-69.4108.3167.926.8-29.1000108.5N51 A113N51-P111 VanDerWaalsContact O-CB 3.29Å; N51-P111 WeakPolarHBondContact O-CB 3.19Å; P111-A113 PolarHBondContact O-N 2.79Å; P111-A113 VanDerWaalsContact O-N 3.12Å
112V55.8Low58.9Low59 Ų5984 Ų8436%0.35844%0.439SS..  trans-72.2105.9162.1-1790000105.3E71 R110 I114E71-V112 HydrophobicContact CB-CG2 3.76Å; R110-V112 PolarHBondContact O-N 2.69Å; R110-V112 VanDerWaalsContact O-N 3.08Å; V112-I114 VanDerWaalsContact C-N 3.32Å; V112-I114 PolarHBondContact O-N 3.44Å
113A53.1Low58.4Low89 Ų8988.8 Ų88.874%0.73646%0.455SS*.  trans-58.9106.1163.700000105.7P111 S115P111-A113 PolarHBondContact O-N 2.79Å; P111-A113 VanDerWaalsContact O-N 3.12Å; A113-S115 PolarHBondContact O-N 2.87Å
114I50.7Low57.7Low73 Ų7387.3 Ų87.337%0.37444%0.443SS..  trans-62.192.9162.3-57.6165.8000103.1Q69 V112 D116Q69-I114 HydrophobicContact CB-CD1 4.21Å; V112-I114 VanDerWaalsContact C-N 3.32Å; V112-I114 PolarHBondContact O-N 3.44Å; I114-D116 PolarHBondContact O-N 3.42Å; I114-D116 VanDerWaalsContact O-N 3.16Å
115S48.7Very low57.4Low74 Ų7490.1 Ų90.152%0.51746%0.461SS..  trans-56.6122.9152.562.70000103.3A113 N117A113-S115 PolarHBondContact O-N 2.87Å; S115-N117 PolarHBondContact O-N 3.08Å
116D51.6Low57.4Low148 Ų14892 Ų9279%0.79147%0.474SS*.SBendtrans-62.228.3170-67.3-40.9000112I114 P118I114-D116 PolarHBondContact O-N 3.42Å; I114-D116 VanDerWaalsContact O-N 3.16Å; D116-P118 WeakPolarHBondContact O-CD 3.45Å
117N47.4Very low57.6Low115 Ų11590.8 Ų90.862%0.61546%0.464SS*.  trans-81.799.7165.6-75.1-17.6000106.8S115 Y119S115-N117 PolarHBondContact O-N 3.08Å; N117-Y119 PolarHBondContact O-N 3.23Å
118P53.8Low57.8Low67 Ų6790.9 Ų90.944%0.43547%0.474SS..  trans-54.6114.5174.722.5-34.4000108.2D116 L120 F121 Q122D116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-L120 CarbonylContact O-C 3.57Å; P118-L120 PolarHBondContact O-N 3.3Å; P118-F121 HydrophobicContact CB-CB 4.35Å; P118-F121 HydrophobicContact CG-CB 3.64Å; P118-F121 WeakPolarHBondContact O-CA 2.94Å; P118-F121 WeakPolarHBondContact O-CB 3.41Å; P118-F121 PolarHBondContact O-N 2.83Å; P118-Q122 PolarHBondContact O-N 2.71Å
119Y53.6Low58.2Low179 Ų17994.4 Ų94.470%0.70250%0.499SS*.Hα-helixtrans-45.6-29.7169.857.8-85.2000112N117 W123N117-Y119 PolarHBondContact O-N 3.23Å; Y119-W123 VanDerWaalsContact O-CB 3.31Å; Y119-W123 WeakPolarHBondContact O-CB 3.13Å; Y119-W123 PolarHBondContact O-N 2.84Å
120L51.7Low58.8Low87 Ų8796.4 Ų96.446%0.45551%0.507SS..Hα-helixtrans-60.4-45.3171.4-63.5180000112.7P118 W123 F124P118-L120 CarbonylContact O-C 3.57Å; P118-L120 PolarHBondContact O-N 3.3Å; L120-W123 PolarHBondContact O-N 3.32Å; L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CB-CE2 4.1Å; L120-F124 WeakPolarHBondContact O-CB 3.29Å; L120-F124 WeakPolarHBondContact O-CD2 3.5Å; L120-F124 VanDerWaalsContact O-CG 3.26Å; L120-F124 WeakPolarHBondContact O-CG 3.38Å; L120-F124 PolarHBondContact O-N 3.37Å
121F52.7Low59.7Low143 Ų14396 Ų9663%0.62751%0.505SS*.Hα-helixtrans-70.7-37.8-177.7-154.5-84.8000112.1P118 F124 T125P118-F121 HydrophobicContact CB-CB 4.35Å; P118-F121 HydrophobicContact CG-CB 3.64Å; P118-F121 WeakPolarHBondContact O-CA 2.94Å; P118-F121 WeakPolarHBondContact O-CB 3.41Å; P118-F121 PolarHBondContact O-N 2.83Å; F121-F124 PolarHBondContact O-N 2.88Å; F121-T125 HydrophobicContact CD1-CG2 4.24Å; F121-T125 HydrophobicContact CE1-CG2 4.24Å; F121-T125 WeakPolarHBondContact O-CG2 3.49Å; F121-T125 PolarHBondContact O-N 3.3Å; F121-T125 PolarHBondContact O-OG1 3.4Å
122Q60.1Low60.7Low116 Ų11699.6 Ų99.654%0.54252%0.519SS..Hα-helixtrans-68.9-35.7174.2-171.2172.6-6.100112.1P118 T125 N126P118-Q122 PolarHBondContact O-N 2.71Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.31Å; Q122-T125 PolarHBondContact O-N 3.39Å; Q122-T125 PolarHBondContact O-OG1 3.46Å; Q122-N126 WeakPolarHBondContact O-CB 2.75Å; Q122-N126 PolarHBondContact O-N 3.39Å; Q122-N126 VanDerWaalsContact O-N 3.08Å
123W59.6Low61.9Low142 Ų142102.2 Ų102.254%0.53853%0.53SS..Hα-helixtrans-65.6-40.3172.4-17778.7000112Y119 L120 T125 T127 F130Y119-W123 VanDerWaalsContact O-CB 3.31Å; Y119-W123 WeakPolarHBondContact O-CB 3.13Å; Y119-W123 PolarHBondContact O-N 2.84Å; L120-W123 PolarHBondContact O-N 3.32Å; W123-T125 PolarHBondContact O-N 2.92Å; W123-T127 WeakPolarHBondContact O-CB 3.39Å; W123-T127 PolarHBondContact O-N 3Å; W123-T127 PolarHBondContact O-OG1 2.9Å; W123-F130 HydrophobicContact CH2-CD2 4.06Å; W123-F130 AromaticContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CE2 4.21Å
124F54.8Low63.1Low73 Ų73100 Ų10032%0.3251%0.509SS..Hα-helixtrans-62.6-38.2174.1-73.4-51.5000112.4L120 F121 F130 W131L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CB-CE2 4.1Å; L120-F124 WeakPolarHBondContact O-CB 3.29Å; L120-F124 WeakPolarHBondContact O-CD2 3.5Å; L120-F124 VanDerWaalsContact O-CG 3.26Å; L120-F124 WeakPolarHBondContact O-CG 3.38Å; L120-F124 PolarHBondContact O-N 3.37Å; F121-F124 PolarHBondContact O-N 2.88Å; F124-F130 HydrophobicContact CB-CE1 4.48Å; F124-F130 AromaticContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD2 4.06Å; F124-F130 AromaticContact CD1-CE1 3.21Å; F124-F130 HydrophobicContact CD1-CE1 3.21Å; F124-F130 AromaticContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CE1-CD1 4.41Å; F124-F130 HydrophobicContact CE1-CD2 4.17Å; F124-F130 AromaticContact CE1-CE1 3.71Å; F124-F130 HydrophobicContact CE1-CE1 3.71Å; F124-F130 AromaticContact CE1-CE2 3.42Å; F124-F130 HydrophobicContact CE1-CE2 3.42Å; F124-F130 VanDerWaalsContact CE1-CE2 3.42Å; F124-F130 AromaticContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CG-CE1 4.18Å; F124-F130 HydrophobicContact CG-CZ 4.45Å; F124-F130 HydrophobicContact CZ-CZ 4.37Å; F124-W131 PolarHBondContact O-NE1 2.94Å
125T63.4Low64.6Low68 Ų68101.4 Ų101.442%0.41752%0.517SS..Hα-helixtrans-77.2-37-179.652.20000113.5F121 Q122 W123F121-T125 HydrophobicContact CD1-CG2 4.24Å; F121-T125 HydrophobicContact CE1-CG2 4.24Å; F121-T125 WeakPolarHBondContact O-CG2 3.49Å; F121-T125 PolarHBondContact O-N 3.3Å; F121-T125 PolarHBondContact O-OG1 3.4Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.31Å; Q122-T125 PolarHBondContact O-N 3.39Å; Q122-T125 PolarHBondContact O-OG1 3.46Å; W123-T125 PolarHBondContact O-N 2.92Å
126N69.5Low66.3Low111 Ų111101.3 Ų101.359%0.59452%0.516SS*.Hα-helixtrans-88.3-8.5-168.7-70.4-1.7000114.6Q122 P128Q122-N126 WeakPolarHBondContact O-CB 2.75Å; Q122-N126 PolarHBondContact O-N 3.39Å; Q122-N126 VanDerWaalsContact O-N 3.08Å; N126-P128 WeakPolarHBondContact O-CD 3.41Å
127T71.7Confident67.7Low34 Ų3497.9 Ų97.921%0.20950%0.503CS..  trans-105.495.8-174.1-50.10000109.9W123 S129 F130W123-T127 WeakPolarHBondContact O-CB 3.39Å; W123-T127 PolarHBondContact O-N 3Å; W123-T127 PolarHBondContact O-OG1 2.9Å; T127-S129 VanDerWaalsContact CG2-OG 3.22Å; T127-S129 WeakPolarHBondContact CG2-OG 3.33Å; T127-S129 PolarHBondContact O-N 3.32Å; T127-F130 HydrophobicContact CG2-CB 4.21Å; T127-F130 VanDerWaalsContact O-CB 3.31Å; T127-F130 WeakPolarHBondContact O-CB 3.46Å; T127-F130 PolarHBondContact O-N 2.96Å
128P71.8Confident69.3Low100 Ų10095.8 Ų95.865%0.64949%0.494SS*.Hα-helixtrans-61.7-29-177.623.4-33.8000113N126 F130 W131 M132N126-P128 WeakPolarHBondContact O-CD 3.41Å; P128-F130 VanDerWaalsContact C-N 3.26Å; P128-F130 PolarHBondContact O-N 3.38Å; P128-W131 PolarHBondContact O-N 3.38Å; P128-M132 PolarHBondContact O-N 3.41Å; P128-M132 VanDerWaalsContact O-N 3.13Å
129S74.9Confident70.7Confident80 Ų8097.6 Ų97.656%0.55950%0.499SS*.Hα-helixtrans-65.4-28.8174.653.70000112.9T127 L133T127-S129 VanDerWaalsContact CG2-OG 3.22Å; T127-S129 WeakPolarHBondContact CG2-OG 3.33Å; T127-S129 PolarHBondContact O-N 3.32Å; S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 2.81Å
130F74.3Confident72.1Confident54 Ų5491.7 Ų91.724%0.23749%0.488CS..Hα-helixtrans-66.3-43.3173.9178.4-94.6000111.1W123 F124 T127 P128 L133 S134W123-F130 HydrophobicContact CH2-CD2 4.06Å; W123-F130 AromaticContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CE2 4.21Å; F124-F130 HydrophobicContact CB-CE1 4.48Å; F124-F130 AromaticContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD2 4.06Å; F124-F130 AromaticContact CD1-CE1 3.21Å; F124-F130 HydrophobicContact CD1-CE1 3.21Å; F124-F130 AromaticContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CE1-CD1 4.41Å; F124-F130 HydrophobicContact CE1-CD2 4.17Å; F124-F130 AromaticContact CE1-CE1 3.71Å; F124-F130 HydrophobicContact CE1-CE1 3.71Å; F124-F130 AromaticContact CE1-CE2 3.42Å; F124-F130 HydrophobicContact CE1-CE2 3.42Å; F124-F130 VanDerWaalsContact CE1-CE2 3.42Å; F124-F130 AromaticContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CG-CE1 4.18Å; F124-F130 HydrophobicContact CG-CZ 4.45Å; F124-F130 HydrophobicContact CZ-CZ 4.37Å; T127-F130 HydrophobicContact CG2-CB 4.21Å; T127-F130 VanDerWaalsContact O-CB 3.31Å; T127-F130 WeakPolarHBondContact O-CB 3.46Å; T127-F130 PolarHBondContact O-N 2.96Å; P128-F130 VanDerWaalsContact C-N 3.26Å; P128-F130 PolarHBondContact O-N 3.38Å; F130-L133 PolarHBondContact O-N 2.95Å; F130-S134 WeakPolarHBondContact O-CB 3.3Å; F130-S134 PolarHBondContact O-N 2.96Å
131W76.2Confident73.6Confident145 Ų14593.5 Ų93.555%0.54949%0.492SS..Hα-helixtrans-65.5-40.7177.3-71.2100.2000112.4F124 P128 S134 L135F124-W131 PolarHBondContact O-NE1 2.94Å; P128-W131 PolarHBondContact O-N 3.38Å; W131-S134 PolarHBondContact O-N 2.88Å; W131-L135 VanDerWaalsContact O-CB 3.3Å; W131-L135 WeakPolarHBondContact O-CB 3.31Å; W131-L135 PolarHBondContact O-N 3.48Å
132M79.5Confident74.9Confident135 Ų13590.9 Ų90.967%0.66549%0.487SS*.Hα-helixtrans-64.7-41.3175.7-68.1-61.9-71.100112.1P128 S136P128-M132 PolarHBondContact O-N 3.41Å; P128-M132 VanDerWaalsContact O-N 3.13Å; M132-S136 WeakPolarHBondContact O-CB 3.42Å; M132-S136 PolarHBondContact O-N 3.46Å
133L80.3Confident75.8Confident113 Ų11393.8 Ų93.859%0.59249%0.494SS*.Hα-helixtrans-67.6-42.6176.1-171.172.6000111.6S129 F130 S136 C137S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 2.81Å; F130-L133 PolarHBondContact O-N 2.95Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-C137 WeakPolarHBondContact O-CB 3.35Å; L133-C137 PolarHBondContact O-N 2.9Å
134S78.1Confident76.6Confident42 Ų4291.5 Ų91.529%0.29449%0.491SS..Hα-helixtrans-63-43.1176.4-178.90000111.6F130 W131 C137 T138F130-S134 WeakPolarHBondContact O-CB 3.3Å; F130-S134 PolarHBondContact O-N 2.96Å; W131-S134 PolarHBondContact O-N 2.88Å; S134-C137 PolarHBondContact O-N 3.28Å; S134-T138 WeakPolarHBondContact O-CB 3.36Å; S134-T138 VanDerWaalsContact O-CG2 3.3Å; S134-T138 WeakPolarHBondContact O-CG2 3.45Å; S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.33Å
135L83.7Confident77.4Confident103 Ų10390.9 Ų90.954%0.53949%0.491SS..Hα-helixtrans-62.9-43.7174.3-163.591.3000111.2W131 T138 I139W131-L135 VanDerWaalsContact O-CB 3.3Å; W131-L135 WeakPolarHBondContact O-CB 3.31Å; W131-L135 PolarHBondContact O-N 3.48Å; L135-T138 WeakPolarHBondContact CA-OG1 3.31Å; L135-T138 PolarHBondContact O-N 2.88Å; L135-T138 PolarHBondContact O-OG1 2.99Å; L135-I139 HydrophobicContact CD2-CD1 4.17Å; L135-I139 HydrophobicContact CG-CD1 4.1Å; L135-I139 WeakPolarHBondContact O-CD1 3.3Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3.3Å
136S83.2Confident77.9Confident73 Ų7391.8 Ų91.851%0.5150%0.496SS..Hα-helixtrans-62.6-45.5176.1-177.20000112.1M132 L133 T138 I139 A140M132-S136 WeakPolarHBondContact O-CB 3.42Å; M132-S136 PolarHBondContact O-N 3.46Å; L133-S136 PolarHBondContact O-N 3.36Å; S136-T138 PolarHBondContact O-N 3.5Å; S136-I139 PolarHBondContact O-N 2.98Å; S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.24Å
137C82Confident77.9Confident76 Ų7689.9 Ų89.951%0.51449%0.485SS..Hα-helixtrans-63.7-39.7176.6-84.80000112.5L133 S134 A140 F141L133-C137 WeakPolarHBondContact O-CB 3.35Å; L133-C137 PolarHBondContact O-N 2.9Å; S134-C137 PolarHBondContact O-N 3.28Å; C137-A140 PolarHBondContact O-N 2.92Å; C137-F141 VanDerWaalsContact O-CB 3.25Å; C137-F141 WeakPolarHBondContact O-CB 3.5Å; C137-F141 PolarHBondContact O-N 3.44Å
138T80.6Confident77.6Confident71 Ų7189 Ų8944%0.43648%0.479SS..Hα-helixtrans-68.8-40.5177.749.90000111.7S134 L135 S136 F141 V142S134-T138 WeakPolarHBondContact O-CB 3.36Å; S134-T138 VanDerWaalsContact O-CG2 3.3Å; S134-T138 WeakPolarHBondContact O-CG2 3.45Å; S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.33Å; L135-T138 WeakPolarHBondContact CA-OG1 3.31Å; L135-T138 PolarHBondContact O-N 2.88Å; L135-T138 PolarHBondContact O-OG1 2.99Å; S136-T138 PolarHBondContact O-N 3.5Å; T138-F141 PolarHBondContact O-N 3.4Å; T138-V142 WeakPolarHBondContact O-CB 3.46Å; T138-V142 VanDerWaalsContact O-CG2 3.29Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.34Å
139I83.9Confident77.1Confident105 Ų10590.8 Ų90.854%0.53848%0.477SS..Hα-helixtrans-62.4-45.8172.6-66.8164.5000110.4L135 S136 F141 V142 W143L135-I139 HydrophobicContact CD2-CD1 4.17Å; L135-I139 HydrophobicContact CG-CD1 4.1Å; L135-I139 WeakPolarHBondContact O-CD1 3.3Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3.3Å; S136-I139 PolarHBondContact O-N 2.98Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.75Å; I139-V142 PolarHBondContact O-N 3.34Å; I139-W143 VanDerWaalsContact O-CB 3.28Å; I139-W143 WeakPolarHBondContact O-CB 3.36Å; I139-W143 PolarHBondContact O-N 2.79Å
140A82.4Confident76.7Confident55 Ų5597.9 Ų97.946%0.45549%0.492SS..Hα-helixtrans-62-40.7177.100000112S136 C137 W143 L144S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.24Å; C137-A140 PolarHBondContact O-N 2.92Å; A140-W143 PolarHBondContact O-N 2.95Å; A140-L144 WeakPolarHBondContact O-CB 3.41Å; A140-L144 PolarHBondContact O-N 3.1Å
141F82.2Confident76.1Confident124 Ų12497.3 Ų97.354%0.54449%0.494SS..Hα-helixtrans-66.4-44.6177.2-176.1-105.3000111.9C137 T138 I139 W143 L144 L145C137-F141 VanDerWaalsContact O-CB 3.25Å; C137-F141 WeakPolarHBondContact O-CB 3.5Å; C137-F141 PolarHBondContact O-N 3.44Å; T138-F141 PolarHBondContact O-N 3.4Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.75Å; F141-W143 VanDerWaalsContact C-N 3.34Å; F141-L144 PolarHBondContact O-N 3.48Å; F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CD1-CG 4.28Å; F141-L145 HydrophobicContact CE1-CD1 3.38Å; F141-L145 HydrophobicContact CE1-CG 4Å; F141-L145 HydrophobicContact CZ-CD1 3.92Å; F141-L145 HydrophobicContact CZ-CD2 4.32Å; F141-L145 HydrophobicContact CZ-CG 4.15Å; F141-L145 WeakPolarHBondContact O-CB 3.49Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; F141-L145 PolarHBondContact O-N 2.84Å
142V80.9Confident75.5Confident88 Ų88100.5 Ų100.553%0.53351%0.506SS..Hα-helixtrans-63.7-41.8175.1172.90000110.7T138 I139 L145 V146T138-V142 WeakPolarHBondContact O-CB 3.46Å; T138-V142 VanDerWaalsContact O-CG2 3.29Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.34Å; I139-V142 PolarHBondContact O-N 3.34Å; V142-L145 WeakPolarHBondContact O-CB 3.35Å; V142-L145 PolarHBondContact O-N 2.92Å; V142-V146 HydrophobicContact CG1-CG2 4.48Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.49Å; V142-V146 PolarHBondContact O-N 3.22Å
143W77.9Confident74.7Confident178 Ų178102.5 Ų102.567%0.67451%0.507SS*.Hα-helixtrans-64.6-41.5177.7-160.380.1000111.9I139 A140 F141 V146 I147I139-W143 VanDerWaalsContact O-CB 3.28Å; I139-W143 WeakPolarHBondContact O-CB 3.36Å; I139-W143 PolarHBondContact O-N 2.79Å; A140-W143 PolarHBondContact O-N 2.95Å; F141-W143 VanDerWaalsContact C-N 3.34Å; W143-V146 PolarHBondContact O-N 2.87Å; W143-I147 HydrophobicContact CD2-CD1 3.84Å; W143-I147 HydrophobicContact CE3-CD1 3.31Å; W143-I147 HydrophobicContact CE3-CG1 4.4Å; W143-I147 HydrophobicContact CH2-CD1 3.46Å; W143-I147 VanDerWaalsContact CH2-CD1 3.46Å; W143-I147 HydrophobicContact CZ2-CD1 3.95Å; W143-I147 HydrophobicContact CZ3-CD1 3.12Å; W143-I147 HydrophobicContact CZ3-CG1 4.47Å; W143-I147 WeakPolarHBondContact O-CG1 3.36Å; W143-I147 PolarHBondContact O-N 2.9Å
144L76.9Confident73.9Confident93 Ų93100.5 Ų100.549%0.48750%0.497SS..Hα-helixtrans-64.1-42.9173.9-169.9129.8000110.9A140 F141 V146 I147 I148A140-L144 WeakPolarHBondContact O-CB 3.41Å; A140-L144 PolarHBondContact O-N 3.1Å; F141-L144 PolarHBondContact O-N 3.48Å; L144-V146 PolarHBondContact O-N 3.31Å; L144-I147 PolarHBondContact O-N 3.46Å; L144-I148 HydrophobicContact CD2-CD1 3.32Å; L144-I148 HydrophobicContact CD2-CG1 4.43Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 VanDerWaalsContact O-CB 3.25Å; L144-I148 WeakPolarHBondContact O-CB 3.45Å; L144-I148 WeakPolarHBondContact O-CD1 3.5Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.42Å
145L71.8Confident73.2Confident61 Ų61100.9 Ų100.932%0.31950%0.495SS..Hα-helixtrans-60.4-41.8172.1-76.6179.9000112.2F141 V142 I148 F149F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CD1-CG 4.28Å; F141-L145 HydrophobicContact CE1-CD1 3.38Å; F141-L145 HydrophobicContact CE1-CG 4Å; F141-L145 HydrophobicContact CZ-CD1 3.92Å; F141-L145 HydrophobicContact CZ-CD2 4.32Å; F141-L145 HydrophobicContact CZ-CG 4.15Å; F141-L145 WeakPolarHBondContact O-CB 3.49Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; F141-L145 PolarHBondContact O-N 2.84Å; V142-L145 WeakPolarHBondContact O-CB 3.35Å; V142-L145 PolarHBondContact O-N 2.92Å; L145-I148 CarbonylContact O-C 3.23Å; L145-I148 PolarHBondContact O-N 3.28Å; L145-F149 WeakPolarHBondContact O-CB 3.41Å; L145-F149 VanDerWaalsContact O-CD2 3.31Å; L145-F149 WeakPolarHBondContact O-CD2 3.26Å; L145-F149 PolarHBondContact O-N 2.91Å
146V74.7Confident72.5Confident87 Ų87104.2 Ų104.253%0.52751%0.505SS..Hα-helixtrans-63.2-42.6177169.10000111.2V142 W143 L144 I148 F149 R150V142-V146 HydrophobicContact CG1-CG2 4.48Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.49Å; V142-V146 PolarHBondContact O-N 3.22Å; W143-V146 PolarHBondContact O-N 2.87Å; L144-V146 PolarHBondContact O-N 3.31Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-F149 PolarHBondContact O-N 3.38Å; V146-R150 VanDerWaalsContact O-CB 3.26Å; V146-R150 WeakPolarHBondContact O-CB 3.06Å; V146-R150 PolarHBondContact O-N 3.35Å
147I69.7Low71.9Confident71 Ų71105.3 Ų105.336%0.36451%0.509SS..Hα-helixtrans-63.5-42.3174.8-70.6173.3000111W143 L144 R150 S151W143-I147 HydrophobicContact CD2-CD1 3.84Å; W143-I147 HydrophobicContact CE3-CD1 3.31Å; W143-I147 HydrophobicContact CE3-CG1 4.4Å; W143-I147 HydrophobicContact CH2-CD1 3.46Å; W143-I147 VanDerWaalsContact CH2-CD1 3.46Å; W143-I147 HydrophobicContact CZ2-CD1 3.95Å; W143-I147 HydrophobicContact CZ3-CD1 3.12Å; W143-I147 HydrophobicContact CZ3-CG1 4.47Å; W143-I147 WeakPolarHBondContact O-CG1 3.36Å; W143-I147 PolarHBondContact O-N 2.9Å; L144-I147 PolarHBondContact O-N 3.46Å; I147-R150 PolarHBondContact O-N 3.11Å; I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 3.29Å
148I64.1Low71.6Confident15 Ų15105.6 Ų105.68%0.07751%0.505CS..Hα-helixtrans-65.9-41.3178.2-73172.6000111.4L144 L145 V146 S151 I154 L155 L158L144-I148 HydrophobicContact CD2-CD1 3.32Å; L144-I148 HydrophobicContact CD2-CG1 4.43Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 VanDerWaalsContact O-CB 3.25Å; L144-I148 WeakPolarHBondContact O-CB 3.45Å; L144-I148 WeakPolarHBondContact O-CD1 3.5Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.42Å; L145-I148 CarbonylContact O-C 3.23Å; L145-I148 PolarHBondContact O-N 3.28Å; V146-I148 VanDerWaalsContact C-N 3.33Å; I148-S151 CarbonylContact O-C 3.53Å; I148-S151 VanDerWaalsContact O-C 3.23Å; I148-S151 PolarHBondContact O-N 3.08Å; I148-I154 HydrophobicContact CG1-CG2 4.05Å; I148-L155 VanDerWaalsContact CG2-CA 3.49Å; I148-L155 HydrophobicContact CG2-CB 3.36Å; I148-L155 HydrophobicContact CG2-CD1 3.77Å; I148-L155 HydrophobicContact CG2-CG 3.39Å; I148-L158 HydrophobicContact CD1-CD1 3.64Å; I148-L158 HydrophobicContact CG1-CD1 3.94Å
149F62.3Low71.5Confident138 Ų138107.2 Ų107.261%0.60551%0.511SS*.Hα-helixtrans-69.8-35.9175.9-93.7-75.1000112.4L145 V146 S151 L155L145-F149 WeakPolarHBondContact O-CB 3.41Å; L145-F149 VanDerWaalsContact O-CD2 3.31Å; L145-F149 WeakPolarHBondContact O-CD2 3.26Å; L145-F149 PolarHBondContact O-N 2.91Å; V146-F149 PolarHBondContact O-N 3.38Å; F149-S151 VanDerWaalsContact C-N 3.3Å; F149-L155 HydrophobicContact CD1-CD1 4Å; F149-L155 HydrophobicContact CD2-CD1 4.32Å; F149-L155 HydrophobicContact CE1-CD1 3.96Å; F149-L155 HydrophobicContact CE2-CD1 4.27Å; F149-L155 HydrophobicContact CG-CD1 4.18Å; F149-L155 HydrophobicContact CZ-CD1 4.1Å
150R66.6Low71.1Confident229 Ų229105.1 Ų105.186%0.86450%0.504SS*.Hα-helixtrans-68.9-30.9175.4-175171.1163.5141.6-4.4111.8V146 I147V146-R150 VanDerWaalsContact O-CB 3.26Å; V146-R150 WeakPolarHBondContact O-CB 3.06Å; V146-R150 PolarHBondContact O-N 3.35Å; I147-R150 PolarHBondContact O-N 3.11Å
151S60.3Low71Confident41 Ų41105.5 Ų105.529%0.28750%0.502SS..SBendtrans-103.583.1173.8-168.10000110.5I147 I148 F149 Y153 I154 L155I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 3.29Å; I148-S151 CarbonylContact O-C 3.53Å; I148-S151 VanDerWaalsContact O-C 3.23Å; I148-S151 PolarHBondContact O-N 3.08Å; F149-S151 VanDerWaalsContact C-N 3.3Å; S151-Y153 PolarHBondContact O-N 3.27Å; S151-I154 PolarHBondContact O-N 3.13Å; S151-I154 WeakPolarHBondContact OG-CD1 3.25Å; S151-I154 VanDerWaalsContact OG-CG1 3.3Å; S151-I154 WeakPolarHBondContact OG-CG1 3.08Å; S151-L155 PolarHBondContact O-N 3.26Å
152R64.5Low71Confident212 Ų212101 Ų10180%0.849%0.491SS*.Hα-helixtrans-45.5-27.5177.4-73.4-95.7-179.1154.4-1.8114
153Y63Low71.1Confident178 Ų178101.3 Ų101.370%0.69849%0.489SS*.Hα-helixtrans-78.9-33.6176.9-72.7-81.8000114S151 T157S151-Y153 PolarHBondContact O-N 3.27Å; Y153-T157 PolarHBondContact O-N 3.26Å; Y153-T157 PolarHBondContact O-OG1 3.46Å; Y153-T157 VanDerWaalsContact O-OG1 3.08Å
154I63.8Low71.2Confident71 Ų7196.6 Ų96.636%0.36448%0.483SS..Hα-helixtrans-74.3-39.3-178.8-65.7174.2000110.6I148 S151 F156 T157 L158I148-I154 HydrophobicContact CG1-CG2 4.05Å; S151-I154 PolarHBondContact O-N 3.13Å; S151-I154 WeakPolarHBondContact OG-CD1 3.25Å; S151-I154 VanDerWaalsContact OG-CG1 3.3Å; S151-I154 WeakPolarHBondContact OG-CG1 3.08Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.3Å; I154-T157 PolarHBondContact O-N 2.84Å; I154-L158 HydrophobicContact CG2-CD1 3.35Å; I154-L158 HydrophobicContact CG2-CG 3.71Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.87Å
155L62.5Low71.5Confident50 Ų5096.8 Ų96.826%0.26248%0.483SS..Hα-helixtrans-59.8-44.3175.8-156.2161.6000111.1I148 F149 S151 T157 L158 L159I148-L155 VanDerWaalsContact CG2-CA 3.49Å; I148-L155 HydrophobicContact CG2-CB 3.36Å; I148-L155 HydrophobicContact CG2-CD1 3.77Å; I148-L155 HydrophobicContact CG2-CG 3.39Å; F149-L155 HydrophobicContact CD1-CD1 4Å; F149-L155 HydrophobicContact CD2-CD1 4.32Å; F149-L155 HydrophobicContact CE1-CD1 3.96Å; F149-L155 HydrophobicContact CE2-CD1 4.27Å; F149-L155 HydrophobicContact CG-CD1 4.18Å; F149-L155 HydrophobicContact CZ-CD1 4.1Å; S151-L155 PolarHBondContact O-N 3.26Å; L155-T157 VanDerWaalsContact C-N 3.25Å; L155-T157 PolarHBondContact O-N 2.76Å; L155-L158 PolarHBondContact O-N 3.43Å; L155-L159 HydrophobicContact CD2-CB 4.28Å; L155-L159 HydrophobicContact CD2-CD1 4.08Å; L155-L159 WeakPolarHBondContact O-CB 3.35Å; L155-L159 PolarHBondContact O-N 2.99Å
156F68.3Low72.1Confident172 Ų17299.4 Ų99.475%0.75450%0.497SS*.Hα-helixtrans-65.6-28.4-179.2-155.5-90.1000113I154 P160I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.3Å; F156-P160 WeakPolarHBondContact O-CD 3.47Å; F156-P160 WeakPolarHBondContact O-CG 3.4Å
157T71Confident72.5Confident97 Ų97100 Ų10060%0.59550%0.496SS*.Hα-helixtrans-89-38.9176.8-51.80000112.6Y153 I154 L155 P160 C161Y153-T157 PolarHBondContact O-N 3.26Å; Y153-T157 PolarHBondContact O-OG1 3.46Å; Y153-T157 VanDerWaalsContact O-OG1 3.08Å; I154-T157 PolarHBondContact O-N 2.84Å; L155-T157 VanDerWaalsContact C-N 3.25Å; L155-T157 PolarHBondContact O-N 2.76Å; T157-P160 WeakPolarHBondContact O-CD 3.31Å; T157-P160 WeakPolarHBondContact O-CG 3.42Å; T157-C161 VanDerWaalsContact O-CB 3.31Å; T157-C161 WeakPolarHBondContact O-CB 3.09Å; T157-C161 PolarHBondContact O-N 3.39Å
158L76Confident73.1Confident81 Ų81100 Ų10042%0.42449%0.493SS..Hα-helixtrans-76-33.8-177.7-72-175.7000113I148 I154 L155 C161 G162I148-L158 HydrophobicContact CD1-CD1 3.64Å; I148-L158 HydrophobicContact CG1-CD1 3.94Å; I154-L158 HydrophobicContact CG2-CD1 3.35Å; I154-L158 HydrophobicContact CG2-CG 3.71Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.87Å; L155-L158 PolarHBondContact O-N 3.43Å; L158-C161 PolarHBondContact O-N 3.42Å; L158-G162 PolarHBondContact O-N 3.09Å
159L78Confident74Confident106 Ų106102.6 Ų102.656%0.55551%0.512SS*.Hα-helixtrans-61.5-51.6179-169.7119.7000112.7L155 C161 G162 L163L155-L159 HydrophobicContact CD2-CB 4.28Å; L155-L159 HydrophobicContact CD2-CD1 4.08Å; L155-L159 WeakPolarHBondContact O-CB 3.35Å; L155-L159 PolarHBondContact O-N 2.99Å; L159-C161 VanDerWaalsContact C-N 3.33Å; L159-C161 PolarHBondContact O-N 2.84Å; L159-G162 PolarHBondContact O-N 3.45Å; L159-L163 HydrophobicContact CD2-CD1 4.27Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.41Å
160P77.2Confident75.1Confident60 Ų60101.6 Ų101.639%0.3951%0.509SS..Hα-helixtrans-65.8-35.9174.126-33.4000111.9F156 T157 L163 C164F156-P160 WeakPolarHBondContact O-CD 3.47Å; F156-P160 WeakPolarHBondContact O-CG 3.4Å; T157-P160 WeakPolarHBondContact O-CD 3.31Å; T157-P160 WeakPolarHBondContact O-CG 3.42Å; P160-L163 PolarHBondContact O-N 3.25Å; P160-C164 PolarHBondContact O-N 3.32Å; P160-C164 PolarHBondContact O-SG 3.34Å
161C79.1Confident75.7Confident63 Ų6391.8 Ų91.843%0.42648%0.476SS..Hα-helixtrans-61.4-45.9175.8-170.90000111.9T157 L158 L159 L163 C164 I165T157-C161 VanDerWaalsContact O-CB 3.31Å; T157-C161 WeakPolarHBondContact O-CB 3.09Å; T157-C161 PolarHBondContact O-N 3.39Å; L158-C161 PolarHBondContact O-N 3.42Å; L159-C161 VanDerWaalsContact C-N 3.33Å; L159-C161 PolarHBondContact O-N 2.84Å; C161-L163 PolarHBondContact O-N 3.05Å; C161-C164 WeakPolarHBondContact O-CB 3.25Å; C161-C164 PolarHBondContact O-N 2.98Å; C161-I165 WeakPolarHBondContact O-CG1 3.48Å; C161-I165 PolarHBondContact O-N 3.42Å
162G82.7Confident76.6Confident30 Ų3091.4 Ų91.431%0.30947%0.472SS..Hα-helixtrans-63.3-40.8176.100000112.3L158 L159 I165 L166L158-G162 PolarHBondContact O-N 3.09Å; L159-G162 PolarHBondContact O-N 3.45Å; G162-I165 PolarHBondContact O-N 3.12Å; G162-L166 WeakPolarHBondContact O-CG 3.47Å; G162-L166 PolarHBondContact O-N 3.41Å
163L82.5Confident77.4Confident94 Ų9487.6 Ų87.649%0.49246%0.458SS..Hα-helixtrans-62.8-42.4173.1-70.7174000111.9L159 P160 C161 I165 L166 I167L159-L163 HydrophobicContact CD2-CD1 4.27Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.41Å; P160-L163 PolarHBondContact O-N 3.25Å; C161-L163 PolarHBondContact O-N 3.05Å; L163-I165 VanDerWaalsContact C-N 3.33Å; L163-I165 PolarHBondContact O-N 3.45Å; L163-L166 PolarHBondContact O-N 2.89Å; L163-I167 WeakPolarHBondContact O-CB 3.41Å; L163-I167 WeakPolarHBondContact O-CD1 3.25Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 2.98Å
164C79.9Confident78.3Confident79 Ų7982.5 Ų82.553%0.53445%0.446SS..Hα-helixtrans-60.2-41.9174.6-70.80000112P160 C161 I167 F168P160-C164 PolarHBondContact O-N 3.32Å; P160-C164 PolarHBondContact O-SG 3.34Å; C161-C164 WeakPolarHBondContact O-CB 3.25Å; C161-C164 PolarHBondContact O-N 2.98Å; C164-I167 PolarHBondContact O-N 2.86Å; C164-F168 WeakPolarHBondContact O-CB 3.3Å; C164-F168 PolarHBondContact O-N 2.86Å
165I83.9Confident79.1Confident97 Ų9781.1 Ų81.150%0.49744%0.438SS..Hα-helixtrans-64.6-44.9176.4-66.4165.3000110.7C161 G162 L163 I167 F168 C169C161-I165 WeakPolarHBondContact O-CG1 3.48Å; C161-I165 PolarHBondContact O-N 3.42Å; G162-I165 PolarHBondContact O-N 3.12Å; L163-I165 VanDerWaalsContact C-N 3.33Å; L163-I165 PolarHBondContact O-N 3.45Å; I165-I167 PolarHBondContact O-N 3.39Å; I165-F168 WeakPolarHBondContact O-CB 3.5Å; I165-F168 PolarHBondContact O-N 3.37Å; I165-C169 PolarHBondContact O-N 3.48Å; I165-C169 PolarHBondContact O-SG 2.91Å; I165-C169 VanDerWaalsContact O-SG 3.36Å
166L84.4Confident80Confident117 Ų11781.4 Ų81.461%0.61344%0.436SS*.Hα-helixtrans-63.5-41.3177.9-72174.6000112.1G162 L163 F168 C169 Q170G162-L166 WeakPolarHBondContact O-CG 3.47Å; G162-L166 PolarHBondContact O-N 3.41Å; L163-L166 PolarHBondContact O-N 2.89Å; L166-F168 VanDerWaalsContact C-N 3.32Å; L166-C169 PolarHBondContact O-N 3.49Å; L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 PolarHBondContact O-N 3.39Å
167I83.4Confident80.6Confident99 Ų9976 Ų7651%0.50841%0.414SS..Hα-helixtrans-62.8-41.2175-68.5164.3000110.4L163 C164 I165 Q170 S171 L246L163-I167 WeakPolarHBondContact O-CB 3.41Å; L163-I167 WeakPolarHBondContact O-CD1 3.25Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 2.98Å; C164-I167 PolarHBondContact O-N 2.86Å; I165-I167 PolarHBondContact O-N 3.39Å; I167-Q170 PolarHBondContact O-N 3.47Å; I167-S171 WeakPolarHBondContact O-CB 3.18Å; I167-S171 PolarHBondContact O-N 3.06Å; I167-S171 PolarHBondContact O-OG 3.05Å; I167-L246 HydrophobicContact CG2-CD1 3.89Å; I167-L246 HydrophobicContact CG2-CG 4.34Å
168F82.5Confident81.1Confident70 Ų7074.3 Ų74.331%0.30741%0.41SS..Hα-helixtrans-64.5-45.7174.6-179.3-96.2000112.4C164 I165 L166 Q170 S171 V172 L239 I242 L246C164-F168 WeakPolarHBondContact O-CB 3.3Å; C164-F168 PolarHBondContact O-N 2.86Å; I165-F168 WeakPolarHBondContact O-CB 3.5Å; I165-F168 PolarHBondContact O-N 3.37Å; L166-F168 VanDerWaalsContact C-N 3.32Å; F168-Q170 VanDerWaalsContact C-N 3.3Å; F168-Q170 PolarHBondContact O-N 2.97Å; F168-S171 PolarHBondContact O-N 2.92Å; F168-S171 PolarHBondContact O-OG 2.72Å; F168-V172 HydrophobicContact CD1-CG2 4.18Å; F168-V172 HydrophobicContact CE1-CG2 3.81Å; F168-V172 HydrophobicContact CE2-CG2 4.36Å; F168-V172 HydrophobicContact CZ-CG2 3.9Å; F168-V172 VanDerWaalsContact O-CG2 3.25Å; F168-V172 WeakPolarHBondContact O-CG2 3.47Å; F168-V172 PolarHBondContact O-N 2.94Å; F168-L239 HydrophobicContact CZ-CD2 4.19Å; F168-I242 HydrophobicContact CD2-CG2 4.27Å; F168-I242 HydrophobicContact CE2-CG2 3.95Å; F168-L246 HydrophobicContact CB-CD2 4.21Å; F168-L246 HydrophobicContact CD2-CD2 4.13Å
169C82.9Confident81.1Confident70 Ų7072.8 Ų72.847%0.47340%0.399SS..Hα-helixtrans-60.9-41.1175.6-71.20000111.6I165 L166 V172 Y173I165-C169 PolarHBondContact O-N 3.48Å; I165-C169 PolarHBondContact O-SG 2.91Å; I165-C169 VanDerWaalsContact O-SG 3.36Å; L166-C169 PolarHBondContact O-N 3.49Å; C169-V172 PolarHBondContact O-N 3.36Å; C169-Y173 VanDerWaalsContact O-CB 3.3Å; C169-Y173 WeakPolarHBondContact O-CB 3.35Å; C169-Y173 PolarHBondContact O-N 3.21Å
170Q84.2Confident81.2Confident117 Ų11770.4 Ų70.455%0.54739%0.386SS..Hα-helixtrans-66-40.2177.3-175.266.7-1.300112.1L166 I167 F168 Y173 T174L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 PolarHBondContact O-N 3.39Å; I167-Q170 PolarHBondContact O-N 3.47Å; F168-Q170 VanDerWaalsContact C-N 3.3Å; F168-Q170 PolarHBondContact O-N 2.97Å; Q170-Y173 PolarHBondContact O-N 3.36Å; Q170-T174 VanDerWaalsContact O-CG2 3.31Å; Q170-T174 WeakPolarHBondContact O-CG2 3.49Å; Q170-T174 PolarHBondContact O-N 2.81Å; Q170-T174 PolarHBondContact O-OG1 2.67Å
171S79.5Confident81.2Confident24 Ų2470.4 Ų70.417%0.16839%0.391CS..Hα-helixtrans-67-40.6177.168.60000111.8I167 F168 T174 K175 I242 L246I167-S171 WeakPolarHBondContact O-CB 3.18Å; I167-S171 PolarHBondContact O-N 3.06Å; I167-S171 PolarHBondContact O-OG 3.05Å; F168-S171 PolarHBondContact O-N 2.92Å; F168-S171 PolarHBondContact O-OG 2.72Å; S171-T174 WeakPolarHBondContact CA-OG1 3.39Å; S171-T174 PolarHBondContact O-OG1 3.38Å; S171-K175 WeakPolarHBondContact O-CB 3.46Å; S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.74Å; S171-K175 VanDerWaalsContact O-N 3.1Å; S171-I242 WeakPolarHBondContact OG-CG2 3.35Å; S171-L246 WeakPolarHBondContact OG-CD1 3.29Å
172V79.4Confident81.1Confident32 Ų3275.7 Ų75.719%0.19440%0.402CS..Hα-helixtrans-60.6-47.8172.5173.50000110.6F168 C169 T174 K175 Y176 I242F168-V172 HydrophobicContact CD1-CG2 4.18Å; F168-V172 HydrophobicContact CE1-CG2 3.81Å; F168-V172 HydrophobicContact CE2-CG2 4.36Å; F168-V172 HydrophobicContact CZ-CG2 3.9Å; F168-V172 VanDerWaalsContact O-CG2 3.25Å; F168-V172 WeakPolarHBondContact O-CG2 3.47Å; F168-V172 PolarHBondContact O-N 2.94Å; C169-V172 PolarHBondContact O-N 3.36Å; V172-T174 PolarHBondContact O-N 2.94Å; V172-K175 PolarHBondContact O-N 3.1Å; V172-Y176 VanDerWaalsContact O-CB 3.31Å; V172-Y176 WeakPolarHBondContact O-CB 3.49Å; V172-Y176 PolarHBondContact O-N 2.88Å; V172-I242 HydrophobicContact CG2-CD1 4.06Å; V172-I242 HydrophobicContact CG2-CG2 4.27Å
173Y82.1Confident80.7Confident132 Ų13275.8 Ų75.852%0.51839%0.394SS..Hα-helixtrans-63.3-42.4-178.2-178.6-105.8000112.8C169 Q170 Y176 N177C169-Y173 VanDerWaalsContact O-CB 3.3Å; C169-Y173 WeakPolarHBondContact O-CB 3.35Å; C169-Y173 PolarHBondContact O-N 3.21Å; Q170-Y173 PolarHBondContact O-N 3.36Å; Y173-Y176 WeakPolarHBondContact O-CB 3.05Å; Y173-Y176 PolarHBondContact O-N 3.25Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.38Å; Y173-N177 PolarHBondContact O-N 3.28Å; Y173-N177 PolarHBondContact OH-ND2 2.89Å
174T81.9Confident80.2Confident72 Ų7276.7 Ų76.744%0.44240%0.397SS..Hα-helixtrans-66.1-41.3177.550.70000112.2Q170 S171 V172 N177 A178Q170-T174 VanDerWaalsContact O-CG2 3.31Å; Q170-T174 WeakPolarHBondContact O-CG2 3.49Å; Q170-T174 PolarHBondContact O-N 2.81Å; Q170-T174 PolarHBondContact O-OG1 2.67Å; S171-T174 WeakPolarHBondContact CA-OG1 3.39Å; S171-T174 PolarHBondContact O-OG1 3.38Å; V172-T174 PolarHBondContact O-N 2.94Å; T174-N177 PolarHBondContact O-N 2.81Å; T174-A178 WeakPolarHBondContact O-CB 3.25Å; T174-A178 PolarHBondContact O-N 3.37Å
175K79.9Confident79.9Confident42 Ų4275.2 Ų75.218%0.18339%0.388CS..Hα-helixtrans-65-41.4173.7-76.4-77.9-176164.50112.4S171 V172 N177 A178 R179 T237 E241 I242 E245S171-K175 WeakPolarHBondContact O-CB 3.46Å; S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.74Å; S171-K175 VanDerWaalsContact O-N 3.1Å; V172-K175 PolarHBondContact O-N 3.1Å; K175-N177 PolarHBondContact O-N 2.86Å; K175-A178 PolarHBondContact O-N 2.85Å; K175-R179 WeakPolarHBondContact O-CG 3.23Å; K175-R179 PolarHBondContact O-N 3.36Å; K175-T237 HydrophobicContact CB-CG2 4.26Å; K175-E241 IonicContact NZ-OE1 2.71Å; K175-E241 PolarHBondContact NZ-OE1 2.75Å; K175-I242 HydrophobicContact CG-CG1 4.43Å; K175-E245 WeakPolarHBondContact CE-OE2 3.32Å; K175-E245 IonicContact NZ-OE2 2.72Å; K175-E245 PolarHBondContact NZ-OE2 3.12Å
176Y81.3Confident79.3Confident56 Ų5672.7 Ų72.722%0.2238%0.377CS..Hα-helixtrans-56.3-50.6174.2175.9-90.1000110.8V172 Y173 A178 R179 L180 P233 F234V172-Y176 VanDerWaalsContact O-CB 3.31Å; V172-Y176 WeakPolarHBondContact O-CB 3.49Å; V172-Y176 PolarHBondContact O-N 2.88Å; Y173-Y176 WeakPolarHBondContact O-CB 3.05Å; Y173-Y176 PolarHBondContact O-N 3.25Å; Y176-A178 PolarHBondContact O-N 2.76Å; Y176-R179 PolarHBondContact O-N 3.45Å; Y176-L180 HydrophobicContact CE1-CD2 4.08Å; Y176-L180 WeakPolarHBondContact O-CB 3.47Å; Y176-L180 PolarHBondContact O-N 3.32Å; Y176-P233 HydrophobicContact CD2-CB 4.1Å; Y176-P233 HydrophobicContact CD2-CG 4.21Å; Y176-P233 HydrophobicContact CE2-CB 3.91Å; Y176-P233 HydrophobicContact CE2-CG 3.5Å; Y176-F234 HydrophobicContact CD2-CD1 4.25Å; Y176-F234 HydrophobicContact CD2-CD2 4.45Å; Y176-F234 AromaticContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE2 4.1Å; Y176-F234 AromaticContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CE2-CD1 4.49Å; Y176-F234 AromaticContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CE1 4.08Å; Y176-F234 AromaticContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CE2 3.45Å; Y176-F234 VanDerWaalsContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CG 4.42Å; Y176-F234 AromaticContact CE2-CZ 3.53Å; Y176-F234 HydrophobicContact CE2-CZ 3.53Å
177N80.9Confident78.5Confident58 Ų5871 Ų7131%0.3137%0.368SS..Hα-helixtrans-63.5-40.2178.8-76.7-17.9000112.8Y173 T174 K175 R179 L180 A181Y173-N177 WeakPolarHBondContact CE1-ND2 3.38Å; Y173-N177 PolarHBondContact O-N 3.28Å; Y173-N177 PolarHBondContact OH-ND2 2.89Å; T174-N177 PolarHBondContact O-N 2.81Å; K175-N177 PolarHBondContact O-N 2.86Å; N177-R179 VanDerWaalsContact C-N 3.29Å; N177-R179 PolarHBondContact O-N 3.41Å; N177-L180 PolarHBondContact O-N 3.42Å; N177-A181 WeakPolarHBondContact O-CB 3.4Å; N177-A181 PolarHBondContact O-N 3.38Å
178A81.1Confident77.8Confident61 Ų6170.5 Ų70.550%0.50437%0.373SS..Hα-helixtrans-61.6-38.617700000112.1T174 K175 Y176 R182T174-A178 WeakPolarHBondContact O-CB 3.25Å; T174-A178 PolarHBondContact O-N 3.37Å; K175-A178 PolarHBondContact O-N 2.85Å; Y176-A178 PolarHBondContact O-N 2.76Å; A178-R182 PolarHBondContact O-N 3.19Å; A178-R182 VanDerWaalsContact O-N 3.09Å
179R76.4Confident77.1Confident50 Ų5076.7 Ų76.719%0.18940%0.395CS..Hα-helixtrans-77.2-38.3178-67.8-176.3-173.5-172.72.2112.5K175 Y176 N177 A181 R182 K183 S236 E241K175-R179 WeakPolarHBondContact O-CG 3.23Å; K175-R179 PolarHBondContact O-N 3.36Å; Y176-R179 PolarHBondContact O-N 3.45Å; N177-R179 VanDerWaalsContact C-N 3.29Å; N177-R179 PolarHBondContact O-N 3.41Å; R179-A181 VanDerWaalsContact C-N 3.28Å; R179-A181 PolarHBondContact O-N 2.91Å; R179-R182 WeakPolarHBondContact O-CB 3.35Å; R179-R182 PolarHBondContact O-N 3.4Å; R179-R182 VanDerWaalsContact O-N 3.12Å; R179-K183 WeakPolarHBondContact O-CG 3.28Å; R179-K183 PolarHBondContact O-N 3.44Å; R179-S236 PolarHBondContact NH1-O 2.82Å; R179-S236 PolarHBondContact NH1-OG 3.35Å; R179-E241 IonicContact NH2-OE2 3.7Å; R179-E241 PolarHBondContact NH2-OE2 3.28Å; R179-E241 VanDerWaalsContact NH2-OE2 3.11Å
180L80.6Confident76.2Confident56 Ų5677 Ų7729%0.29339%0.389SS..Hα-helixtrans-58.4-43.7171.4-177.461.2000110.9Y176 N177 R182 K183 M184Y176-L180 HydrophobicContact CE1-CD2 4.08Å; Y176-L180 WeakPolarHBondContact O-CB 3.47Å; Y176-L180 PolarHBondContact O-N 3.32Å; N177-L180 PolarHBondContact O-N 3.42Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.2Å; L180-K183 PolarHBondContact O-N 3.19Å; L180-M184 HydrophobicContact CD1-CE 4.21Å; L180-M184 WeakPolarHBondContact O-CG 3.03Å; L180-M184 PolarHBondContact O-N 3.22Å
181A77.1Confident75.1Confident59 Ų5980 Ų8049%0.48841%0.409SS..Hα-helixtrans-61.6-40174.600000112.1N177 R179 M184 S185N177-A181 WeakPolarHBondContact O-CB 3.4Å; N177-A181 PolarHBondContact O-N 3.38Å; R179-A181 VanDerWaalsContact C-N 3.28Å; R179-A181 PolarHBondContact O-N 2.91Å; A181-M184 PolarHBondContact O-N 3.42Å; A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 3.27Å
182R76.7Confident74.4Confident174 Ų17479.9 Ų79.966%0.65741%0.411SS*.Hα-helixtrans-61.9-45.9174.5-169.3175.1-177.9143.4-2.4111.6A178 R179 L180 S185 V186A178-R182 PolarHBondContact O-N 3.19Å; A178-R182 VanDerWaalsContact O-N 3.09Å; R179-R182 WeakPolarHBondContact O-CB 3.35Å; R179-R182 PolarHBondContact O-N 3.4Å; R179-R182 VanDerWaalsContact O-N 3.12Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.2Å; R182-S185 PolarHBondContact O-N 2.91Å; R182-S185 PolarHBondContact O-OG 3.49Å; R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.23Å
183K73.4Confident73.6Confident33 Ų3380.1 Ų80.114%0.14341%0.414CS..Hα-helixtrans-59.5-48.1175.5-68.9-174.8-175.5-121.80111.7R179 L180 S185 V186 L187 E228 S231R179-K183 WeakPolarHBondContact O-CG 3.28Å; R179-K183 PolarHBondContact O-N 3.44Å; L180-K183 PolarHBondContact O-N 3.19Å; K183-S185 VanDerWaalsContact C-N 3.28Å; K183-S185 PolarHBondContact O-N 3.07Å; K183-V186 PolarHBondContact O-N 3.38Å; K183-L187 WeakPolarHBondContact O-CB 3.46Å; K183-L187 PolarHBondContact O-N 2.77Å; K183-E228 PolarHBondContact NZ-O 3.48Å; K183-S231 PolarHBondContact NZ-O 2.98Å; K183-S231 PolarHBondContact NZ-OG 3.45Å; K183-S231 VanDerWaalsContact NZ-OG 3.13Å
184M73.2Confident72.7Confident112 Ų11275.4 Ų75.455%0.55240%0.399SS*.Hα-helixtrans-62-35.4176.5-69.7-6417900112.2L180 A181 S188L180-M184 HydrophobicContact CD1-CE 4.21Å; L180-M184 WeakPolarHBondContact O-CG 3.03Å; L180-M184 PolarHBondContact O-N 3.22Å; A181-M184 PolarHBondContact O-N 3.42Å; M184-S188 VanDerWaalsContact O-CB 3.27Å; M184-S188 WeakPolarHBondContact O-CB 3.33Å; M184-S188 PolarHBondContact O-N 3.31Å; M184-S188 PolarHBondContact O-OG 2.76Å
185S73.1Confident71.9Confident49 Ų4975.4 Ų75.434%0.34340%0.396SS..Hα-helixtrans-67.2-39.2176.877.60000112.5A181 R182 K183 S188 R189A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 3.27Å; R182-S185 PolarHBondContact O-N 2.91Å; R182-S185 PolarHBondContact O-OG 3.49Å; K183-S185 VanDerWaalsContact C-N 3.28Å; K183-S185 PolarHBondContact O-N 3.07Å; S185-S188 WeakPolarHBondContact CA-OG 3.21Å; S185-S188 PolarHBondContact O-N 2.72Å; S185-S188 PolarHBondContact O-OG 2.61Å; S185-R189 WeakPolarHBondContact O-CG 3.24Å; S185-R189 PolarHBondContact O-N 3.49Å
186V70.8Confident71.2Confident44 Ų4477.2 Ų77.227%0.26741%0.408SS..Hα-helixtrans-67.6-44.8176.6173.30000110.4R182 K183 S188 R189 H190 Y225R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.23Å; K183-V186 PolarHBondContact O-N 3.38Å; V186-S188 VanDerWaalsContact C-N 3.31Å; V186-S188 PolarHBondContact O-N 3.13Å; V186-R189 PolarHBondContact O-N 3.33Å; V186-H190 PolarHBondContact O-N 2.93Å; V186-H190 PolarHBondContact O-ND1 3.26Å; V186-Y225 HydrophobicContact CG1-CD2 4.4Å; V186-Y225 HydrophobicContact CG1-CE2 3.95Å
187L68.5Low70.6Confident81 Ų8175.4 Ų75.442%0.42440%0.403SS..Hα-helixtrans-65.5-33.2176.3-173.162.3000112.2K183 R189 H190 L229K183-L187 WeakPolarHBondContact O-CB 3.46Å; K183-L187 PolarHBondContact O-N 2.77Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 2.99Å; L187-H190 CarbonylContact O-C 3.54Å; L187-L229 HydrophobicContact CD1-CD2 4.33Å
188S68.4Low69.9Low89 Ų8975.6 Ų75.662%0.62240%0.401SS*.Hα-helixtrans-70.5-24.9175.872.40000113.4M184 S185 V186M184-S188 VanDerWaalsContact O-CB 3.27Å; M184-S188 WeakPolarHBondContact O-CB 3.33Å; M184-S188 PolarHBondContact O-N 3.31Å; M184-S188 PolarHBondContact O-OG 2.76Å; S185-S188 WeakPolarHBondContact CA-OG 3.21Å; S185-S188 PolarHBondContact O-N 2.72Å; S185-S188 PolarHBondContact O-OG 2.61Å; V186-S188 VanDerWaalsContact C-N 3.31Å; V186-S188 PolarHBondContact O-N 3.13Å
189R67.1Low69.1Low200 Ų20076.5 Ų76.576%0.75540%0.402SS*.Hα-helixtrans-79.5-27.7178.9-77.9-180177.5168.8-0.1112.8S185 V186 L187S185-R189 WeakPolarHBondContact O-CG 3.24Å; S185-R189 PolarHBondContact O-N 3.49Å; V186-R189 PolarHBondContact O-N 3.33Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 2.99Å
190H64.8Low68.6Low75 Ų7581 Ų8135%0.34743%0.429SS..  trans-124115-177.9-50.977.2000108.1V186 L187 G192V186-H190 PolarHBondContact O-N 2.93Å; V186-H190 PolarHBondContact O-ND1 3.26Å; L187-H190 CarbonylContact O-C 3.54Å; H190-G192 CarbonylContact C-O 3.59Å; H190-G192 WeakPolarHBondContact CB-O 3.36Å; H190-G192 PolarHBondContact O-N 3.42Å
191N61.6Low67.8Low180 Ų18089.6 Ų89.696%0.96346%0.458SS*.SBendtrans-68.840175.5-74.9-25.5000112.5
192G63.1Low67.2Low22 Ų2293.1 Ų93.123%0.22746%0.464CS..SBendtrans137.2176.9-166.400000111.2H190 Y225H190-G192 CarbonylContact C-O 3.59Å; H190-G192 WeakPolarHBondContact CB-O 3.36Å; H190-G192 PolarHBondContact O-N 3.42Å; G192-Y225 PolarHBondContact O-OH 3.4Å
193P63Low66.7Low38 Ų3886.3 Ų86.325%0.24744%0.439CS..SBendtrans-55.9150.2174.223.3-32000111.6C197 K198 Y225P193-C197 HydrophobicContact CB-CB 4.26Å; P193-K198 HydrophobicContact CG-CG 3.94Å; P193-K198 WeakPolarHBondContact O-CE 3.02Å; P193-Y225 HydrophobicContact CB-CD1 4.49Å; P193-Y225 HydrophobicContact CB-CE1 3.84Å
194P64.6Low66.8Low32 Ų3288.1 Ų88.121%0.20845%0.454CS..  trans-47.9146.8171-23.430.7000110.6D196 C197 K198 Y225P194-D196 PolarHBondContact O-N 3.48Å; P194-C197 PolarHBondContact O-N 3.48Å; P194-K198 PolarHBondContact O-N 2.99Å; P194-Y225 HydrophobicContact CG-CD2 4.18Å; P194-Y225 HydrophobicContact CG-CE2 4.3Å; P194-Y225 HydrophobicContact CG-CG 4.34Å
195D64.9Low66.9Low72 Ų7293.3 Ų93.339%0.38547%0.467SS..G310 helixtrans-55.7-30.5-175.9-73.6-31.4000112.7C197 K198 Q203 Q207D195-C197 VanDerWaalsContact C-N 3.29Å; D195-C197 PolarHBondContact O-N 3.36Å; D195-K198 PolarHBondContact O-N 3.46Å; D195-K198 IonicContact OD1-NZ 2.93Å; D195-K198 PolarHBondContact OD1-NZ 3.36Å; D195-Q203 PolarHBondContact O-NE2 3.03Å; D195-Q207 PolarHBondContact OD2-NE2 3.07Å
196D65.7Low66.9Low81 Ų8195.3 Ų95.343%0.43348%0.481SS..G310 helixtrans-70.2-24.3177.6-55.4-25000113.4P194 Q203 N211P194-D196 PolarHBondContact O-N 3.48Å; D196-Q203 PolarHBondContact O-NE2 3.22Å; D196-N211 PolarHBondContact OD1-ND2 3.39Å; D196-N211 PolarHBondContact OD1-OD1 2.99Å
197C67Low66.7Low17 Ų1795.3 Ų95.312%0.11548%0.478CS..G310 helixtrans-100.60.5-176.4-51.60000113.5P193 P194 D195 C222 Y226P193-C197 HydrophobicContact CB-CB 4.26Å; P194-C197 PolarHBondContact O-N 3.48Å; D195-C197 VanDerWaalsContact C-N 3.29Å; D195-C197 PolarHBondContact O-N 3.36Å; C197-C222 WeakPolarHBondContact CA-SG 3.36Å; C197-C222 HydrophobicContact CB-CB 3.75Å; C197-C222 WeakPolarHBondContact CB-SG 3.03Å; C197-C222 WeakPolarHBondContact SG-CA 3.33Å; C197-C222 WeakPolarHBondContact SG-CB 3.27Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 3.43Å; C197-Y226 HydrophobicContact CB-CE2 4.18Å; C197-Y226 PolarHBondContact O-OH 3.47Å
198K66.5Low66.8Low62 Ų6293.9 Ų93.927%0.2747%0.473SS..SBendtrans-73.2143.9175.3-75.6175.1-175.6164.90110P193 P194 D195 H202 Q203P193-K198 HydrophobicContact CG-CG 3.94Å; P193-K198 WeakPolarHBondContact O-CE 3.02Å; P194-K198 PolarHBondContact O-N 2.99Å; D195-K198 PolarHBondContact O-N 3.46Å; D195-K198 IonicContact OD1-NZ 2.93Å; D195-K198 PolarHBondContact OD1-NZ 3.36Å; K198-H202 HydrophobicContact CB-CB 4.39Å; K198-Q203 HydrophobicContact CB-CG 4.16Å; K198-Q203 PolarHBondContact O-NE2 3.49Å
199P65.6Low67.1Low80 Ų8094.6 Ų94.652%0.51947%0.469SS..  trans-54.6145.2170.7-18.527.8000110.4R201 H202P199-R201 PolarHBondContact O-N 3.2Å; P199-H202 PolarHBondContact O-N 2.85Å
200L64.8Low67.3Low144 Ų14487 Ų8775%0.75445%0.452SS*.G310 helixtrans-47.3-31.5179.7-105.970.8000113.5H202 Q203L200-H202 PolarHBondContact O-N 3.17Å; L200-Q203 PolarHBondContact O-N 2.66Å
201R63.5Low67.4Low238 Ų23885.7 Ų85.790%0.89845%0.448SS*.G310 helixtrans-62.9-21.5178.6-159.1178.7-164.8-175.24.5114.2P199P199-R201 PolarHBondContact O-N 3.2Å
202H64.3Low67.9Low133 Ų13386.7 Ų86.762%0.61644%0.44SS*.G310 helixtrans-112.14.4-178-63.1-63.1000113.3K198 P199 L200K198-H202 HydrophobicContact CB-CB 4.39Å; P199-H202 PolarHBondContact O-N 2.85Å; L200-H202 PolarHBondContact O-N 3.17Å
203Q66.2Low68.3Low30 Ų3093.2 Ų93.214%0.1446%0.462CS..  trans-91.9137.1177-71.6179.1-2900110.5D195 D196 K198 L200 V208D195-Q203 PolarHBondContact O-NE2 3.03Å; D196-Q203 PolarHBondContact O-NE2 3.22Å; K198-Q203 HydrophobicContact CB-CG 4.16Å; K198-Q203 PolarHBondContact O-NE2 3.49Å; L200-Q203 PolarHBondContact O-N 2.66Å; Q203-V208 HydrophobicContact CB-CG2 4.09Å
204T75.8Confident68.6Low72 Ų7294.2 Ų94.244%0.44247%0.47SS..  trans-74.4149.8168.756.70000110S206 Q207 V208T204-S206 PolarHBondContact O-N 2.89Å; T204-S206 VanDerWaalsContact O-N 3.12Å; T204-S206 PolarHBondContact OG1-OG 2.86Å; T204-S206 VanDerWaalsContact OG1-OG 3.06Å; T204-Q207 WeakPolarHBondContact O-CA 3.43Å; T204-Q207 WeakPolarHBondContact O-CB 3.31Å; T204-Q207 PolarHBondContact O-N 3.49Å; T204-Q207 VanDerWaalsContact OG1-CG 3.24Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.48Å; T204-Q207 PolarHBondContact OG1-OE1 3.38Å; T204-V208 PolarHBondContact O-N 2.92Å; T204-V208 VanDerWaalsContact O-N 3.14Å
205W74.9Confident68.4Low220 Ų22098.8 Ų98.883%0.83350%0.503SS*.Hα-helixtrans-54.8-33.1178.6-78.5104.6000113.5Q207 V208 L209W205-Q207 VanDerWaalsContact C-N 3.33Å; W205-Q207 PolarHBondContact O-N 2.82Å; W205-V208 PolarHBondContact O-N 3.4Å; W205-L209 PolarHBondContact O-N 3.42Å; W205-L209 VanDerWaalsContact O-N 3.1Å
206S73.7Confident68.2Low91 Ų91104.3 Ų104.364%0.63652%0.518SS*.Hα-helixtrans-62.4-36.6173.243.10000113.2T204 G210T204-S206 PolarHBondContact O-N 2.89Å; T204-S206 VanDerWaalsContact O-N 3.12Å; T204-S206 PolarHBondContact OG1-OG 2.86Å; T204-S206 VanDerWaalsContact OG1-OG 3.06Å; S206-G210 PolarHBondContact O-N 2.88Å
207Q67.1Low67.9Low44 Ų44104.7 Ų104.721%0.20653%0.525CS..Hα-helixtrans-72.7-40.3177.4-71.5162.3-30.600111.2D195 T204 W205 L209 G210 N211D195-Q207 PolarHBondContact OD2-NE2 3.07Å; T204-Q207 WeakPolarHBondContact O-CA 3.43Å; T204-Q207 WeakPolarHBondContact O-CB 3.31Å; T204-Q207 PolarHBondContact O-N 3.49Å; T204-Q207 VanDerWaalsContact OG1-CG 3.24Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.48Å; T204-Q207 PolarHBondContact OG1-OE1 3.38Å; W205-Q207 VanDerWaalsContact C-N 3.33Å; W205-Q207 PolarHBondContact O-N 2.82Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.45Å; Q207-G210 PolarHBondContact O-N 3.41Å; Q207-N211 WeakPolarHBondContact O-CB 3.22Å; Q207-N211 PolarHBondContact O-N 3.18Å; Q207-N211 PolarHBondContact O-OD1 3.36Å
208V70.8Confident67.5Low51 Ų51105.6 Ų105.631%0.30953%0.534SS..Hα-helixtrans-59.1-43.7174.91780000111Q203 T204 W205 N211 Y212Q203-V208 HydrophobicContact CB-CG2 4.09Å; T204-V208 PolarHBondContact O-N 2.92Å; T204-V208 VanDerWaalsContact O-N 3.14Å; W205-V208 PolarHBondContact O-N 3.4Å; V208-N211 PolarHBondContact O-N 2.72Å; V208-Y212 PolarHBondContact O-N 3.01Å; V208-Y212 VanDerWaalsContact O-N 3.1Å
209L73.3Confident67.3Low105 Ų105109.1 Ų109.155%0.5556%0.556SS.*Hα-helixtrans-66.4-45.8176.8-122.576.3000112.1W205 Q207 N211 Y212 F213W205-L209 PolarHBondContact O-N 3.42Å; W205-L209 VanDerWaalsContact O-N 3.1Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.45Å; L209-N211 PolarHBondContact O-N 3.39Å; L209-Y212 WeakPolarHBondContact O-CB 3.33Å; L209-Y212 PolarHBondContact O-N 3.35Å; L209-Y212 VanDerWaalsContact O-N 3.15Å; L209-F213 HydrophobicContact CG-CE2 4.34Å; L209-F213 VanDerWaalsContact O-CD2 3.25Å; L209-F213 WeakPolarHBondContact O-CD2 3.44Å; L209-F213 PolarHBondContact O-N 2.82Å
210G73Confident67.4Low39 Ų39110.9 Ų110.940%0.40256%0.561SS.*Hα-helixtrans-56.4-39.8176.800000112.4S206 Q207 F213 S214S206-G210 PolarHBondContact O-N 2.88Å; Q207-G210 PolarHBondContact O-N 3.41Å; G210-F213 PolarHBondContact O-N 2.98Å; G210-S214 WeakPolarHBondContact O-CB 3Å; G210-S214 PolarHBondContact O-N 2.72Å
211N66.7Low67.6Low48 Ų48110.3 Ų110.326%0.25755%0.554SS.*Hα-helixtrans-72.6-32179.4-68.20.4000112.6D196 Q207 V208 L209 F213 S214D196-N211 PolarHBondContact OD1-ND2 3.39Å; D196-N211 PolarHBondContact OD1-OD1 2.99Å; Q207-N211 WeakPolarHBondContact O-CB 3.22Å; Q207-N211 PolarHBondContact O-N 3.18Å; Q207-N211 PolarHBondContact O-OD1 3.36Å; V208-N211 PolarHBondContact O-N 2.72Å; L209-N211 PolarHBondContact O-N 3.39Å; N211-F213 VanDerWaalsContact C-N 3.32Å; N211-F213 PolarHBondContact O-N 3.44Å; N211-S214 PolarHBondContact O-N 3.37Å
212Y70.7Confident68Low202 Ų20299.9 Ų99.979%0.79252%0.517SS*.Hα-helixtrans-65.9-34.6173.9-163.7-93.8000112.5V208 L209V208-Y212 PolarHBondContact O-N 3.01Å; V208-Y212 VanDerWaalsContact O-N 3.1Å; L209-Y212 WeakPolarHBondContact O-CB 3.33Å; L209-Y212 PolarHBondContact O-N 3.35Å; L209-Y212 VanDerWaalsContact O-N 3.15Å
213F72.5Confident68.3Low159 Ų15996.3 Ų96.370%0.69751%0.511SS*.Hα-helixtrans-88.9-11.5178.1-72.8-71.8000114.2L209 G210 N211 S215L209-F213 HydrophobicContact CG-CE2 4.34Å; L209-F213 VanDerWaalsContact O-CD2 3.25Å; L209-F213 WeakPolarHBondContact O-CD2 3.44Å; L209-F213 PolarHBondContact O-N 2.82Å; G210-F213 PolarHBondContact O-N 2.98Å; N211-F213 VanDerWaalsContact C-N 3.32Å; N211-F213 PolarHBondContact O-N 3.44Å; F213-S215 PolarHBondContact O-N 3.32Å
214S68.1Low68.5Low58 Ų58100.7 Ų100.741%0.40653%0.531SS..  trans-78.8113.5177.6-171.90000110.4G210 N211 R216G210-S214 WeakPolarHBondContact O-CB 3Å; G210-S214 PolarHBondContact O-N 2.72Å; N211-S214 PolarHBondContact O-N 3.37Å; S214-R216 PolarHBondContact O-N 2.88Å; S214-R216 VanDerWaalsContact O-N 3.1Å
215S60.7Low68.2Low129 Ų12998.6 Ų98.690%0.90252%0.515SS*.  trans-72.110.8172.3-64.80000114.2F213F213-S215 PolarHBondContact O-N 3.32Å
216R61.2Low68Low188 Ų18892.5 Ų92.571%0.70949%0.493SS*.SBendtrans-83133.9174.8-71.4-174.1-179.6175.61.5109.9S214 A218S214-R216 PolarHBondContact O-N 2.88Å; S214-R216 VanDerWaalsContact O-N 3.1Å; R216-A218 VanDerWaalsContact C-N 3.31Å; R216-A218 PolarHBondContact O-N 2.87Å
217P58.5Low68Low88 Ų8894.7 Ų94.757%0.57149%0.493SS*.  trans-68.889.9172.428.7-32.6000109.6N219 D220P217-N219 PolarHBondContact O-N 2.86Å; P217-D220 PolarHBondContact O-N 3.19Å
218A59.5Low68Low36 Ų3696 Ų9630%0.29850%0.499SS..Hα-helixtrans-58.5-28.1179.100000112.6R216 D220 E221 C222R216-A218 VanDerWaalsContact C-N 3.31Å; R216-A218 PolarHBondContact O-N 2.87Å; A218-D220 PolarHBondContact O-N 3.48Å; A218-E221 PolarHBondContact O-N 3.06Å; A218-C222 WeakPolarHBondContact O-CB 2.95Å; A218-C222 PolarHBondContact O-N 2.96Å; A218-C222 PolarHBondContact O-SG 3.41Å
219N63.1Low67.9Low137 Ų13797 Ų9773%0.73350%0.502SS*.Hα-helixtrans-61.6-39.8-177.8-68.1-7.8000112.9P217 A223P217-N219 PolarHBondContact O-N 2.86Å; N219-A223 VanDerWaalsContact O-CB 3.31Å; N219-A223 WeakPolarHBondContact O-CB 3.46Å; N219-A223 PolarHBondContact O-N 2.04Å; N219-A223 VanDerWaalsContact O-N 3.12Å
220D66.5Low67.6Low117 Ų11798.6 Ų98.663%0.62651%0.511SS*.Hα-helixtrans-74.7-40.8-176.8-71.7-14.4000111.4P217 A218 A223 H224P217-D220 PolarHBondContact O-N 3.19Å; A218-D220 PolarHBondContact O-N 3.48Å; D220-A223 PolarHBondContact O-N 2.91Å; D220-H224 WeakPolarHBondContact O-CB 3.48Å; D220-H224 PolarHBondContact O-N 3.01Å
221E69.4Low67.4Low131 Ų13198.4 Ų98.461%0.61250%0.503SS*.Hα-helixtrans-71.6-36.4-178.2-164.8159.7-166.600111.7A218 H224 Y225A218-E221 PolarHBondContact O-N 3.06Å; E221-H224 PolarHBondContact O-N 3.5Å; E221-Y225 WeakPolarHBondContact O-CB 3.48Å; E221-Y225 PolarHBondContact O-N 3.48Å
222C71.5Confident67.2Low19 Ų19102.1 Ų102.113%0.12852%0.519CS..Hα-helixtrans-69.4-41.7174-66.30000112.7C197 A218 H224 Y225 Y226C197-C222 WeakPolarHBondContact CA-SG 3.36Å; C197-C222 HydrophobicContact CB-CB 3.75Å; C197-C222 WeakPolarHBondContact CB-SG 3.03Å; C197-C222 WeakPolarHBondContact SG-CA 3.33Å; C197-C222 WeakPolarHBondContact SG-CB 3.27Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 3.43Å; A218-C222 WeakPolarHBondContact O-CB 2.95Å; A218-C222 PolarHBondContact O-N 2.96Å; A218-C222 PolarHBondContact O-SG 3.41Å; C222-H224 VanDerWaalsContact C-N 3.31Å; C222-H224 PolarHBondContact O-N 3.37Å; C222-Y225 PolarHBondContact O-N 2.83Å; C222-Y226 VanDerWaalsContact O-CD2 3.27Å; C222-Y226 WeakPolarHBondContact O-CD2 3.47Å; C222-Y226 PolarHBondContact O-N 3.37Å
223A71.3Confident66.8Low58 Ų5893.6 Ų93.648%0.47949%0.488SS..Hα-helixtrans-58.7-45.6173.500000110.7N219 D220 Y225 Y226 E227N219-A223 VanDerWaalsContact O-CB 3.31Å; N219-A223 WeakPolarHBondContact O-CB 3.46Å; N219-A223 PolarHBondContact O-N 2.04Å; N219-A223 VanDerWaalsContact O-N 3.12Å; D220-A223 PolarHBondContact O-N 2.91Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 3.04Å; A223-Y226 PolarHBondContact O-N 2.94Å; A223-E227 VanDerWaalsContact O-CB 3.23Å; A223-E227 WeakPolarHBondContact O-CB 3.33Å; A223-E227 PolarHBondContact O-N 3.31Å
224H70Confident66.2Low122 Ų12292 Ų9257%0.56548%0.481SS*.Hα-helixtrans-64.1-36.5177.3-165.5-46.2000112.7D220 E221 C222 E228D220-H224 WeakPolarHBondContact O-CB 3.48Å; D220-H224 PolarHBondContact O-N 3.01Å; E221-H224 PolarHBondContact O-N 3.5Å; C222-H224 VanDerWaalsContact C-N 3.31Å; C222-H224 PolarHBondContact O-N 3.37Å; H224-E228 WeakPolarHBondContact O-CB 3.48Å; H224-E228 PolarHBondContact O-N 3.37Å
225Y70.1Confident65.7Low28 Ų2896.4 Ų96.411%0.1150%0.5CS..Hα-helixtrans-64.4-50.3175.2177.3-97.2000111.7V186 G192 P193 P194 E221 C222 A223 E228 L229V186-Y225 HydrophobicContact CG1-CD2 4.4Å; V186-Y225 HydrophobicContact CG1-CE2 3.95Å; G192-Y225 PolarHBondContact O-OH 3.4Å; P193-Y225 HydrophobicContact CB-CD1 4.49Å; P193-Y225 HydrophobicContact CB-CE1 3.84Å; P194-Y225 HydrophobicContact CG-CD2 4.18Å; P194-Y225 HydrophobicContact CG-CE2 4.3Å; P194-Y225 HydrophobicContact CG-CG 4.34Å; E221-Y225 WeakPolarHBondContact O-CB 3.48Å; E221-Y225 PolarHBondContact O-N 3.48Å; C222-Y225 PolarHBondContact O-N 2.83Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 3.04Å; Y225-E228 PolarHBondContact O-N 3.29Å; Y225-L229 HydrophobicContact CD1-CD1 3.66Å; Y225-L229 HydrophobicContact CD2-CD1 3.9Å; Y225-L229 HydrophobicContact CE1-CD1 3.15Å; Y225-L229 HydrophobicContact CE2-CD1 3.42Å; Y225-L229 VanDerWaalsContact CE2-CD1 3.42Å; Y225-L229 HydrophobicContact CG-CD1 4.01Å; Y225-L229 PolarHBondContact O-N 3.1Å; Y225-L229 WeakPolarHBondContact OH-CD1 3.3Å
226Y71.2Confident65.6Low93 Ų9392.4 Ų92.437%0.36547%0.472SS..Hα-helixtrans-67.6-35.6178.9-77.9-68.4000112.2C197 C222 A223 L229 L230C197-Y226 HydrophobicContact CB-CE2 4.18Å; C197-Y226 PolarHBondContact O-OH 3.47Å; C222-Y226 VanDerWaalsContact O-CD2 3.27Å; C222-Y226 WeakPolarHBondContact O-CD2 3.47Å; C222-Y226 PolarHBondContact O-N 3.37Å; A223-Y226 PolarHBondContact O-N 2.94Å; Y226-L229 PolarHBondContact O-N 3.15Å; Y226-L230 WeakPolarHBondContact O-CB 2.89Å; Y226-L230 VanDerWaalsContact O-CG 3.32Å; Y226-L230 WeakPolarHBondContact O-CG 3.26Å; Y226-L230 PolarHBondContact O-N 3.18Å
227E71.8Confident65.8Low137 Ų13784.1 Ų84.164%0.6444%0.442SS*.Hα-helixtrans-62.9-44.1173.7-174174-171.400111.4A223 L229 S231A223-E227 VanDerWaalsContact O-CB 3.23Å; A223-E227 WeakPolarHBondContact O-CB 3.33Å; A223-E227 PolarHBondContact O-N 3.31Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.1Å; E227-S231 WeakPolarHBondContact O-CB 3.2Å; E227-S231 PolarHBondContact O-N 2.96Å; E227-S231 PolarHBondContact O-OG 3.16Å
228E67.6Low66.3Low72 Ų7282.4 Ų82.434%0.33643%0.432SS..Hα-helixtrans-68.1-32.8177.8-169.463.5-146.300112.1K183 H224 Y225 S231K183-E228 PolarHBondContact NZ-O 3.48Å; H224-E228 WeakPolarHBondContact O-CB 3.48Å; H224-E228 PolarHBondContact O-N 3.37Å; Y225-E228 PolarHBondContact O-N 3.29Å; E228-S231 PolarHBondContact O-OG 3.12Å
229L69Low66.8Low70 Ų7086.1 Ų86.137%0.36645%0.447SS..Hα-helixtrans-76.4-44.1176.5-98.4132.9000113.8L187 Y225 Y226 E227L187-L229 HydrophobicContact CD1-CD2 4.33Å; Y225-L229 HydrophobicContact CD1-CD1 3.66Å; Y225-L229 HydrophobicContact CD2-CD1 3.9Å; Y225-L229 HydrophobicContact CE1-CD1 3.15Å; Y225-L229 HydrophobicContact CE2-CD1 3.42Å; Y225-L229 VanDerWaalsContact CE2-CD1 3.42Å; Y225-L229 HydrophobicContact CG-CD1 4.01Å; Y225-L229 PolarHBondContact O-N 3.1Å; Y225-L229 WeakPolarHBondContact OH-CD1 3.3Å; Y226-L229 PolarHBondContact O-N 3.15Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.1Å
230L68.1Low67.4Low139 Ų13987.7 Ų87.773%0.72844%0.443SS*.Hα-helixtrans-85.4-23.2-175.1-67.7167.1000112.9Y226 E232Y226-L230 WeakPolarHBondContact O-CB 2.89Å; Y226-L230 VanDerWaalsContact O-CG 3.32Å; Y226-L230 WeakPolarHBondContact O-CG 3.26Å; Y226-L230 PolarHBondContact O-N 3.18Å; L230-E232 PolarHBondContact O-N 2.94Å
231S67.1Low67.9Low35 Ų3585.7 Ų85.725%0.24543%0.43CS..SBendtrans-59.9130.817654.10000110.4K183 E227 E228K183-S231 PolarHBondContact NZ-O 2.98Å; K183-S231 PolarHBondContact NZ-OG 3.45Å; K183-S231 VanDerWaalsContact NZ-OG 3.13Å; E227-S231 WeakPolarHBondContact O-CB 3.2Å; E227-S231 PolarHBondContact O-N 2.96Å; E227-S231 PolarHBondContact O-OG 3.16Å; E228-S231 PolarHBondContact O-OG 3.12Å
232E63.7Low68.1Low126 Ų12679.6 Ų79.659%0.58940%0.402SS*.  trans-66.9131.5171.6-69.8-175.1174.700109L230 F234 L235 S236L230-E232 PolarHBondContact O-N 2.94Å; E232-F234 PolarHBondContact O-N 2.75Å; E232-L235 PolarHBondContact O-N 2.9Å; E232-S236 PolarHBondContact O-N 3.37Å
233P61.6Low68.3Low23 Ų2381.3 Ų81.315%0.14941%0.414CS..Hα-helixtrans-54-32.9-179.819.9-32000112.1Y176 S236 T237Y176-P233 HydrophobicContact CD2-CB 4.1Å; Y176-P233 HydrophobicContact CD2-CG 4.21Å; Y176-P233 HydrophobicContact CE2-CB 3.91Å; Y176-P233 HydrophobicContact CE2-CG 3.5Å; P233-S236 PolarHBondContact O-N 2.69Å; P233-S236 PolarHBondContact O-OG 2.96Å; P233-T237 PolarHBondContact O-N 3.33Å; P233-T237 PolarHBondContact O-OG1 2.82Å
234F60Low68.7Low126 Ų12682.6 Ų82.655%0.55341%0.412SS*.Hα-helixtrans-61.2-44.5175.5-72.4-72.4000113.4Y176 E232 S236 T237Y176-F234 HydrophobicContact CD2-CD1 4.25Å; Y176-F234 HydrophobicContact CD2-CD2 4.45Å; Y176-F234 AromaticContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE2 4.1Å; Y176-F234 AromaticContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CE2-CD1 4.49Å; Y176-F234 AromaticContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CE1 4.08Å; Y176-F234 AromaticContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CE2 3.45Å; Y176-F234 VanDerWaalsContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CG 4.42Å; Y176-F234 AromaticContact CE2-CZ 3.53Å; Y176-F234 HydrophobicContact CE2-CZ 3.53Å; E232-F234 PolarHBondContact O-N 2.75Å; F234-S236 VanDerWaalsContact C-N 3.34Å; F234-S236 PolarHBondContact O-N 2.81Å; F234-T237 WeakPolarHBondContact CA-OG1 3.37Å; F234-T237 PolarHBondContact O-N 3.42Å; F234-T237 PolarHBondContact O-OG1 3.29Å
235L58Low69.1Low150 Ų15079.7 Ų79.779%0.78540%0.399SS*.Hα-helixtrans-69-35.1-177.7-123.679.4000112E232 T237E232-L235 PolarHBondContact O-N 2.9Å; L235-T237 PolarHBondContact O-N 3.39Å
236S59.5Low69.4Low46 Ų4680.7 Ų80.732%0.32241%0.406SS..Hα-helixtrans-67.6-24.3176.575.30000112.5R179 E232 P233 F234 S238R179-S236 PolarHBondContact NH1-O 2.82Å; R179-S236 PolarHBondContact NH1-OG 3.35Å; E232-S236 PolarHBondContact O-N 3.37Å; P233-S236 PolarHBondContact O-N 2.69Å; P233-S236 PolarHBondContact O-OG 2.96Å; F234-S236 VanDerWaalsContact C-N 3.34Å; F234-S236 PolarHBondContact O-N 2.81Å; S236-S238 PolarHBondContact O-N 2.96Å
237T64.1Low69.8Low14 Ų1481.7 Ų81.79%0.08642%0.416CS..SBendtrans-70.594-179.20.80000109.8K175 P233 F234 L235 L239 I242K175-T237 HydrophobicContact CB-CG2 4.26Å; P233-T237 PolarHBondContact O-N 3.33Å; P233-T237 PolarHBondContact O-OG1 2.82Å; F234-T237 WeakPolarHBondContact CA-OG1 3.37Å; F234-T237 PolarHBondContact O-N 3.42Å; F234-T237 PolarHBondContact O-OG1 3.29Å; L235-T237 PolarHBondContact O-N 3.39Å; T237-L239 PolarHBondContact O-N 3.06Å; T237-I242 HydrophobicContact CG2-CD1 3.72Å
238S69.2Low70.3Confident52 Ų5277.4 Ų77.436%0.36440%0.401SS..  trans-60.1109.5169.580.50000108.2S236 Y240 E241 I242S236-S238 PolarHBondContact O-N 2.96Å; S238-Y240 PolarHBondContact O-N 3.12Å; S238-Y240 VanDerWaalsContact O-N 3.13Å; S238-E241 PolarHBondContact O-N 3.14Å; S238-E241 VanDerWaalsContact O-N 3.08Å; S238-E241 WeakPolarHBondContact OG-CB 3.38Å; S238-E241 PolarHBondContact OG-N 2.85Å; S238-I242 PolarHBondContact O-N 3.41Å
239L70.4Confident70.9Confident114 Ų11479.3 Ų79.360%0.59741%0.41SS*.Hα-helixtrans-54.9-30174.7-70.3167.1000110.6F168 T237 I242 C243F168-L239 HydrophobicContact CZ-CD2 4.19Å; T237-L239 PolarHBondContact O-N 3.06Å; L239-I242 PolarHBondContact O-N 2.67Å; L239-C243 WeakPolarHBondContact O-CB 3.24Å; L239-C243 PolarHBondContact O-N 3.33Å; L239-C243 PolarHBondContact O-SG 2.82Å
240Y75.5Confident71.4Confident169 Ų16979.1 Ų79.166%0.66341%0.413SS*.Hα-helixtrans-59.9-47.8174.5-177.1-104.3000113.4S238 I242 C243 L244S238-Y240 PolarHBondContact O-N 3.12Å; S238-Y240 VanDerWaalsContact O-N 3.13Å; Y240-I242 VanDerWaalsContact C-N 3.32Å; Y240-I242 PolarHBondContact O-N 3.28Å; Y240-C243 PolarHBondContact O-N 3.28Å; Y240-L244 HydrophobicContact CD1-CD1 3.89Å; Y240-L244 HydrophobicContact CD1-CG 4.44Å; Y240-L244 HydrophobicContact CE1-CD1 3.26Å; Y240-L244 HydrophobicContact CE1-CG 4.03Å; Y240-L244 HydrophobicContact CE2-CD1 4.37Å; Y240-L244 HydrophobicContact CE2-CG 4.34Å; Y240-L244 WeakPolarHBondContact O-CB 3.34Å; Y240-L244 WeakPolarHBondContact O-CG 3.31Å; Y240-L244 PolarHBondContact O-N 3.11Å
241E76.5Confident72.1Confident75 Ų7576.2 Ų76.235%0.3540%0.401SS..Hα-helixtrans-63-40.7177.2-174.8-164.2154.800110.8K175 R179 S238 L244 E245K175-E241 IonicContact NZ-OE1 2.71Å; K175-E241 PolarHBondContact NZ-OE1 2.75Å; R179-E241 IonicContact NH2-OE2 3.7Å; R179-E241 PolarHBondContact NH2-OE2 3.28Å; R179-E241 VanDerWaalsContact NH2-OE2 3.11Å; S238-E241 PolarHBondContact O-N 3.14Å; S238-E241 VanDerWaalsContact O-N 3.08Å; S238-E241 WeakPolarHBondContact OG-CB 3.38Å; S238-E241 PolarHBondContact OG-N 2.85Å; E241-L244 PolarHBondContact O-N 3.28Å; E241-E245 WeakPolarHBondContact O-CB 3.28Å; E241-E245 PolarHBondContact O-N 2.89Å
242I73.7Confident72.9Confident3 Ų379.8 Ų79.82%0.01542%0.416CS..Hα-helixtrans-63.2-45.8176.6-64.9158.7000110.7F168 S171 V172 K175 T237 S238 L239 Y240 E245 L246F168-I242 HydrophobicContact CD2-CG2 4.27Å; F168-I242 HydrophobicContact CE2-CG2 3.95Å; S171-I242 WeakPolarHBondContact OG-CG2 3.35Å; V172-I242 HydrophobicContact CG2-CD1 4.06Å; V172-I242 HydrophobicContact CG2-CG2 4.27Å; K175-I242 HydrophobicContact CG-CG1 4.43Å; T237-I242 HydrophobicContact CG2-CD1 3.72Å; S238-I242 PolarHBondContact O-N 3.41Å; L239-I242 PolarHBondContact O-N 2.67Å; Y240-I242 VanDerWaalsContact C-N 3.32Å; Y240-I242 PolarHBondContact O-N 3.28Å; I242-E245 PolarHBondContact O-N 3.39Å; I242-L246 WeakPolarHBondContact O-CB 3.47Å; I242-L246 PolarHBondContact O-N 2.9Å
243C76.3Confident73.8Confident56 Ų5677.4 Ų77.438%0.37841%0.413SS..Hα-helixtrans-62-43.9177.1-73.80000111.9L239 Y240 E245 L246 I247L239-C243 WeakPolarHBondContact O-CB 3.24Å; L239-C243 PolarHBondContact O-N 3.33Å; L239-C243 PolarHBondContact O-SG 2.82Å; Y240-C243 PolarHBondContact O-N 3.28Å; C243-E245 VanDerWaalsContact C-N 3.34Å; C243-L246 PolarHBondContact O-N 2.76Å; C243-I247 VanDerWaalsContact O-CG1 3.29Å; C243-I247 WeakPolarHBondContact O-CG1 3.29Å; C243-I247 PolarHBondContact O-N 3.02Å
244L78.9Confident74.8Confident84 Ų8481.2 Ų81.244%0.4443%0.432SS..Hα-helixtrans-61.8-42.4175.3-79.9-178.3000111.7Y240 E241 I247 S248Y240-L244 HydrophobicContact CD1-CD1 3.89Å; Y240-L244 HydrophobicContact CD1-CG 4.44Å; Y240-L244 HydrophobicContact CE1-CD1 3.26Å; Y240-L244 HydrophobicContact CE1-CG 4.03Å; Y240-L244 HydrophobicContact CE2-CD1 4.37Å; Y240-L244 HydrophobicContact CE2-CG 4.34Å; Y240-L244 WeakPolarHBondContact O-CB 3.34Å; Y240-L244 WeakPolarHBondContact O-CG 3.31Å; Y240-L244 PolarHBondContact O-N 3.11Å; E241-L244 PolarHBondContact O-N 3.28Å; L244-I247 PolarHBondContact O-N 3.3Å; L244-S248 WeakPolarHBondContact O-CB 3.47Å; L244-S248 PolarHBondContact O-N 3.29Å; L244-S248 PolarHBondContact O-OG 3.42Å
245E78.2Confident76Confident62 Ų6279 Ų7929%0.2943%0.431SS..Hα-helixtrans-66.2-40.1176.7-169.3166.1179.500111.7K175 E241 I242 C243 I247 S248 Q249K175-E245 WeakPolarHBondContact CE-OE2 3.32Å; K175-E245 IonicContact NZ-OE2 2.72Å; K175-E245 PolarHBondContact NZ-OE2 3.12Å; E241-E245 WeakPolarHBondContact O-CB 3.28Å; E241-E245 PolarHBondContact O-N 2.89Å; I242-E245 PolarHBondContact O-N 3.39Å; C243-E245 VanDerWaalsContact C-N 3.34Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 2.9Å; E245-S248 WeakPolarHBondContact CA-OG 3.48Å; E245-S248 PolarHBondContact O-N 3.08Å; E245-S248 PolarHBondContact O-OG 3.34Å; E245-Q249 HydrophobicContact CG-CG 3.86Å; E245-Q249 VanDerWaalsContact O-CB 3.28Å; E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 WeakPolarHBondContact O-CG 3.46Å; E245-Q249 PolarHBondContact O-N 3.01Å; E245-Q249 PolarHBondContact OE1-NE2 3.5Å
246L77.8Confident77.2Confident49 Ų4978.9 Ų78.926%0.25742%0.424SS..Hα-helixtrans-64.3-32.1176.9-139.377.2000113I167 F168 S171 I242 C243 P250I167-L246 HydrophobicContact CG2-CD1 3.89Å; I167-L246 HydrophobicContact CG2-CG 4.34Å; F168-L246 HydrophobicContact CB-CD2 4.21Å; F168-L246 HydrophobicContact CD2-CD2 4.13Å; S171-L246 WeakPolarHBondContact OG-CD1 3.29Å; I242-L246 WeakPolarHBondContact O-CB 3.47Å; I242-L246 PolarHBondContact O-N 2.9Å; C243-L246 PolarHBondContact O-N 2.76Å; L246-P250 WeakPolarHBondContact O-CD 3.42Å; L246-P250 WeakPolarHBondContact O-CG 3.22Å
247I79.6Confident78.5Confident114 Ų11479.7 Ų79.759%0.58543%0.43SS*.Hα-helixtrans-83.9-44.7177.1-66.2166.1000110.1C243 L244 E245 P250 V251C243-I247 VanDerWaalsContact O-CG1 3.29Å; C243-I247 WeakPolarHBondContact O-CG1 3.29Å; C243-I247 PolarHBondContact O-N 3.02Å; L244-I247 PolarHBondContact O-N 3.3Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 2.9Å; I247-P250 WeakPolarHBondContact O-CD 3.48Å; I247-V251 WeakPolarHBondContact O-CB 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 2.93Å
248S80.8Confident79.5Confident47 Ų4783.9 Ų83.933%0.32945%0.451SS..Hα-helixtrans-73-38.9-174.561.40000112.7L244 E245 V251 I252L244-S248 WeakPolarHBondContact O-CB 3.47Å; L244-S248 PolarHBondContact O-N 3.29Å; L244-S248 PolarHBondContact O-OG 3.42Å; E245-S248 WeakPolarHBondContact CA-OG 3.48Å; E245-S248 PolarHBondContact O-N 3.08Å; E245-S248 PolarHBondContact O-OG 3.34Å; S248-V251 PolarHBondContact O-N 3.09Å; S248-I252 WeakPolarHBondContact O-CB 3.32Å; S248-I252 WeakPolarHBondContact O-CD1 3.31Å; S248-I252 WeakPolarHBondContact O-CG1 3.32Å; S248-I252 PolarHBondContact O-N 3.31Å
249Q81.6Confident80.4Confident112 Ų11283.3 Ų83.352%0.52345%0.454SS..Hα-helixtrans-61-48.9-179.4-79.5-167.84.200112.8E245 V251 I252 S253E245-Q249 HydrophobicContact CG-CG 3.86Å; E245-Q249 VanDerWaalsContact O-CB 3.28Å; E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 WeakPolarHBondContact O-CG 3.46Å; E245-Q249 PolarHBondContact O-N 3.01Å; E245-Q249 PolarHBondContact OE1-NE2 3.5Å; Q249-V251 PolarHBondContact O-N 2.84Å; Q249-I252 PolarHBondContact O-N 3.46Å; Q249-S253 WeakPolarHBondContact O-CB 3.44Å; Q249-S253 PolarHBondContact O-N 3.43Å
250P79.5Confident81.3Confident66 Ų6682.2 Ų82.243%0.42945%0.447SS..Hα-helixtrans-61.9-42.6174.2-23.434.3000112L246 I247 I252 S253 L254L246-P250 WeakPolarHBondContact O-CD 3.42Å; L246-P250 WeakPolarHBondContact O-CG 3.22Å; I247-P250 WeakPolarHBondContact O-CD 3.48Å; P250-I252 PolarHBondContact O-N 3.11Å; P250-S253 PolarHBondContact O-N 2.86Å; P250-L254 VanDerWaalsContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CB 3.31Å; P250-L254 WeakPolarHBondContact O-CG 3.32Å; P250-L254 PolarHBondContact O-N 3.09Å
251V81.5Confident81.9Confident78 Ų7875.8 Ų75.847%0.47343%0.433SS..Hα-helixtrans-62-45.9179171.20000111I247 S248 Q249 L254 C255I247-V251 WeakPolarHBondContact O-CB 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 2.93Å; S248-V251 PolarHBondContact O-N 3.09Å; Q249-V251 PolarHBondContact O-N 2.84Å; V251-L254 PolarHBondContact O-N 3.39Å; V251-C255 VanDerWaalsContact O-CB 3.32Å; V251-C255 WeakPolarHBondContact O-CB 3.41Å; V251-C255 PolarHBondContact O-N 3.48Å; V251-C255 PolarHBondContact O-SG 2.9Å
252I84Confident82.4Confident110 Ų11075.4 Ų75.456%0.56443%0.433SS*.Hα-helixtrans-65.4-42.5177.9-67.3163.9000110.5S248 Q249 P250 C255 K256S248-I252 WeakPolarHBondContact O-CB 3.32Å; S248-I252 WeakPolarHBondContact O-CD1 3.31Å; S248-I252 WeakPolarHBondContact O-CG1 3.32Å; S248-I252 PolarHBondContact O-N 3.31Å; Q249-I252 PolarHBondContact O-N 3.46Å; P250-I252 PolarHBondContact O-N 3.11Å; I252-C255 PolarHBondContact O-N 2.91Å; I252-K256 VanDerWaalsContact O-CB 3.28Å; I252-K256 WeakPolarHBondContact O-CB 3.03Å; I252-K256 PolarHBondContact O-N 3.07Å
253S82.9Confident83Confident75 Ų7577.1 Ų77.152%0.52445%0.451SS..Hα-helixtrans-64.3-42.1177.4-174.60000112.1Q249 P250 K256 S257Q249-S253 WeakPolarHBondContact O-CB 3.44Å; Q249-S253 PolarHBondContact O-N 3.43Å; P250-S253 PolarHBondContact O-N 2.86Å; S253-K256 PolarHBondContact O-N 3.5Å; S253-S257 WeakPolarHBondContact O-CB 3.47Å; S253-S257 PolarHBondContact O-N 2.89Å; S253-S257 PolarHBondContact O-OG 3.21Å
254L83.1Confident83.6Confident104 Ų10480.3 Ų80.355%0.54546%0.461SS..Hα-helixtrans-64.5-45.9173.7-72.4171.8000110.8P250 V251 K256 S257 L258P250-L254 VanDerWaalsContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CB 3.31Å; P250-L254 WeakPolarHBondContact O-CG 3.32Å; P250-L254 PolarHBondContact O-N 3.09Å; V251-L254 PolarHBondContact O-N 3.39Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 3.08Å; L254-S257 WeakPolarHBondContact CA-OG 3.43Å; L254-S257 PolarHBondContact O-N 3.46Å; L254-S257 PolarHBondContact O-OG 2.99Å; L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 WeakPolarHBondContact O-CD1 3.2Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.26Å
255C84.7Confident83.9Confident80 Ų8079.3 Ų79.354%0.54146%0.456SS..Hα-helixtrans-61.1-39.1174.7-75.80000112.3V251 I252 G259V251-C255 VanDerWaalsContact O-CB 3.32Å; V251-C255 WeakPolarHBondContact O-CB 3.41Å; V251-C255 PolarHBondContact O-N 3.48Å; V251-C255 PolarHBondContact O-SG 2.9Å; I252-C255 PolarHBondContact O-N 2.91Å; C255-G259 PolarHBondContact O-N 3.37Å
256K83.7Confident84.3Confident147 Ų14781.1 Ų81.164%0.63946%0.46SS*.Hα-helixtrans-67-47177.4-175.1178.2179.5-179.90111.4I252 S253 L254 G259 I260I252-K256 VanDerWaalsContact O-CB 3.28Å; I252-K256 WeakPolarHBondContact O-CB 3.03Å; I252-K256 PolarHBondContact O-N 3.07Å; S253-K256 PolarHBondContact O-N 3.5Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 3.08Å; K256-G259 PolarHBondContact O-N 3.01Å; K256-I260 HydrophobicContact CG-CD1 4.08Å; K256-I260 WeakPolarHBondContact O-CD1 3.03Å; K256-I260 VanDerWaalsContact O-CG1 3.23Å; K256-I260 WeakPolarHBondContact O-CG1 3.39Å; K256-I260 PolarHBondContact O-N 3.39Å
257S86.7Confident84.7Confident63 Ų6385 Ų8544%0.44148%0.477SS..Hα-helixtrans-66.5-41.617853.40000112.2S253 L254 I260 G261S253-S257 WeakPolarHBondContact O-CB 3.47Å; S253-S257 PolarHBondContact O-N 2.89Å; S253-S257 PolarHBondContact O-OG 3.21Å; L254-S257 WeakPolarHBondContact CA-OG 3.43Å; L254-S257 PolarHBondContact O-N 3.46Å; L254-S257 PolarHBondContact O-OG 2.99Å; S257-I260 PolarHBondContact O-N 2.99Å; S257-G261 PolarHBondContact O-N 3.02Å
258L85.6Confident85.1Confident101 Ų10184 Ų8453%0.52947%0.473SS..Hα-helixtrans-60.3-46.3171.1-75.1165.4000111.3L254 I260 G261 I262L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 WeakPolarHBondContact O-CD1 3.2Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.26Å; L258-I260 PolarHBondContact O-N 3.13Å; L258-G261 PolarHBondContact O-N 3.36Å; L258-I262 WeakPolarHBondContact O-CB 3.46Å; L258-I262 WeakPolarHBondContact O-CD1 3.38Å; L258-I262 WeakPolarHBondContact O-CG1 3.43Å; L258-I262 PolarHBondContact O-N 3.04Å
259G87.6Confident85.3Confident41 Ų4183.6 Ų83.642%0.42347%0.467SS..Hα-helixtrans-60.6-41.6177.600000112.8C255 K256 I262 G263C255-G259 PolarHBondContact O-N 3.37Å; K256-G259 PolarHBondContact O-N 3.01Å; G259-I262 PolarHBondContact O-N 3.35Å; G259-G263 PolarHBondContact O-N 3.28Å
260I90.1Very high85.4Confident90 Ų9080.4 Ų80.446%0.46246%0.457SS..Hα-helixtrans-63-46.2173.8-68.3162.7000110.6K256 S257 L258 I262 G263 Q264K256-I260 HydrophobicContact CG-CD1 4.08Å; K256-I260 WeakPolarHBondContact O-CD1 3.03Å; K256-I260 VanDerWaalsContact O-CG1 3.23Å; K256-I260 WeakPolarHBondContact O-CG1 3.39Å; K256-I260 PolarHBondContact O-N 3.39Å; S257-I260 PolarHBondContact O-N 2.99Å; L258-I260 PolarHBondContact O-N 3.13Å; I260-I262 PolarHBondContact O-N 3.44Å; I260-G263 PolarHBondContact O-N 2.92Å; I260-Q264 WeakPolarHBondContact O-CG 3.4Å; I260-Q264 PolarHBondContact O-N 3.46Å
261G87.7Confident85.7Confident35 Ų3584.2 Ų84.236%0.36147%0.469SS..Hα-helixtrans-62.8-41.3178.500000113S257 L258 Q264 L265S257-G261 PolarHBondContact O-N 3.02Å; L258-G261 PolarHBondContact O-N 3.36Å; G261-Q264 PolarHBondContact O-N 3.23Å; G261-L265 WeakPolarHBondContact O-CB 3.19Å; G261-L265 PolarHBondContact O-N 2.98Å
262I85.8Confident85.9Confident66 Ų6689.3 Ų89.334%0.33848%0.481SS..Hα-helixtrans-65.8-43174.9-66.3162.1000110.5L258 G259 I260 Q264 L265 Y266 M286L258-I262 WeakPolarHBondContact O-CB 3.46Å; L258-I262 WeakPolarHBondContact O-CD1 3.38Å; L258-I262 WeakPolarHBondContact O-CG1 3.43Å; L258-I262 PolarHBondContact O-N 3.04Å; G259-I262 PolarHBondContact O-N 3.35Å; I260-I262 PolarHBondContact O-N 3.44Å; I262-Q264 VanDerWaalsContact C-N 3.35Å; I262-Q264 PolarHBondContact O-N 2.96Å; I262-L265 PolarHBondContact O-N 3Å; I262-Y266 WeakPolarHBondContact O-CB 3.36Å; I262-Y266 PolarHBondContact O-N 3.46Å; I262-M286 HydrophobicContact CD1-CE 3.64Å; I262-M286 HydrophobicContact CD1-SD 4.17Å; I262-M286 HydrophobicContact CG1-CE 3.89Å; I262-M286 HydrophobicContact CG1-SD 3.75Å
263G87.3Confident85.9Confident40 Ų4085.6 Ų85.641%0.41246%0.463SS..Hα-helixtrans-60.9-42.8176.700000112.3G259 I260 Y266 H267G259-G263 PolarHBondContact O-N 3.28Å; I260-G263 PolarHBondContact O-N 2.92Å; G263-Y266 PolarHBondContact O-N 3.01Å; G263-H267 WeakPolarHBondContact O-CB 3.42Å; G263-H267 PolarHBondContact O-N 3.45Å
264Q88.3Confident86Confident122 Ų12285.7 Ų85.757%0.5746%0.462SS*.Hα-helixtrans-64.9-43.4174.3-74.4176.6-15.900112.2I260 G261 I262 Y266 H267 N268I260-Q264 WeakPolarHBondContact O-CG 3.4Å; I260-Q264 PolarHBondContact O-N 3.46Å; G261-Q264 PolarHBondContact O-N 3.23Å; I262-Q264 VanDerWaalsContact C-N 3.35Å; I262-Q264 PolarHBondContact O-N 2.96Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3.33Å; Q264-H267 PolarHBondContact O-N 3.42Å; Q264-N268 WeakPolarHBondContact O-CB 3.4Å; Q264-N268 VanDerWaalsContact O-CG 3.24Å; Q264-N268 PolarHBondContact O-N 3.18Å
265L85.4Confident86Confident64 Ų6486.9 Ų86.934%0.33546%0.463SS..Hα-helixtrans-59.6-45.7175.5-178.570.1000111G261 I262 L269 C285G261-L265 WeakPolarHBondContact O-CB 3.19Å; G261-L265 PolarHBondContact O-N 2.98Å; I262-L265 PolarHBondContact O-N 3Å; L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 4.43Å; L265-L269 HydrophobicContact CD2-CD1 4.48Å; L265-L269 HydrophobicContact CG-CD1 3.85Å; L265-L269 WeakPolarHBondContact O-CB 3.22Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.38Å; L265-L269 PolarHBondContact O-N 3.44Å; L265-C285 HydrophobicContact CD2-CB 4.28Å
266Y86.3Confident86Confident100 Ų10092 Ų9239%0.39247%0.471SS..Hα-helixtrans-62.9-46.5177.3179-95.5000111.8I262 G263 Q264 N268 L269 S270 A278I262-Y266 WeakPolarHBondContact O-CB 3.36Å; I262-Y266 PolarHBondContact O-N 3.46Å; G263-Y266 PolarHBondContact O-N 3.01Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3.33Å; Y266-N268 PolarHBondContact O-N 2.95Å; Y266-L269 PolarHBondContact O-N 3Å; Y266-S270 VanDerWaalsContact O-CB 3.29Å; Y266-S270 WeakPolarHBondContact O-CB 3.13Å; Y266-S270 PolarHBondContact O-N 2.99Å; Y266-S270 PolarHBondContact O-OG 3.43Å; Y266-A278 HydrophobicContact CE2-CB 4.05Å
267H87.2Confident86.1Confident130 Ų13089.3 Ų89.360%0.60246%0.463SS*.Hα-helixtrans-58.5-49.6178.5-173.759.7000111.5G263 Q264 L269 S270 E271G263-H267 WeakPolarHBondContact O-CB 3.42Å; G263-H267 PolarHBondContact O-N 3.45Å; Q264-H267 PolarHBondContact O-N 3.42Å; H267-L269 PolarHBondContact O-N 3.46Å; H267-S270 PolarHBondContact O-N 3.06Å; H267-S270 PolarHBondContact O-OG 3.49Å; H267-E271 PolarHBondContact O-N 3.49Å
268N87Confident85.8Confident93 Ų9386.3 Ų86.350%0.49744%0.442SS..Hα-helixtrans-64-38.1178-67.1-9.4000112.3Q264 Y266 Y272Q264-N268 WeakPolarHBondContact O-CB 3.4Å; Q264-N268 VanDerWaalsContact O-CG 3.24Å; Q264-N268 PolarHBondContact O-N 3.18Å; Y266-N268 PolarHBondContact O-N 2.95Å; N268-Y272 VanDerWaalsContact O-CD2 3.28Å; N268-Y272 WeakPolarHBondContact O-CD2 3.36Å
269L85Confident85.8Confident39 Ų3984.1 Ų84.120%0.20443%0.434CS..Hα-helixtrans-71.3-35.1177.1-76.2170.4000112.4L265 Y266 H267 E271 Y272 V273 I281 C282L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 4.43Å; L265-L269 HydrophobicContact CD2-CD1 4.48Å; L265-L269 HydrophobicContact CG-CD1 3.85Å; L265-L269 WeakPolarHBondContact O-CB 3.22Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.38Å; L265-L269 PolarHBondContact O-N 3.44Å; Y266-L269 PolarHBondContact O-N 3Å; H267-L269 PolarHBondContact O-N 3.46Å; L269-E271 PolarHBondContact O-N 2.96Å; L269-Y272 PolarHBondContact O-N 3.01Å; L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 PolarHBondContact O-N 2.93Å; L269-I281 HydrophobicContact CD1-CG2 4.2Å; L269-C282 VanDerWaalsContact CD1-SG 3.58Å
270S84.7Confident85.7Confident45 Ų4589.6 Ų89.632%0.31545%0.446SS..Hα-helixtrans-67.1-21.3-179.670.90000113.5Y266 H267Y266-S270 VanDerWaalsContact O-CB 3.29Å; Y266-S270 WeakPolarHBondContact O-CB 3.13Å; Y266-S270 PolarHBondContact O-N 2.99Å; Y266-S270 PolarHBondContact O-OG 3.43Å; H267-S270 PolarHBondContact O-N 3.06Å; H267-S270 PolarHBondContact O-OG 3.49Å
271E85.6Confident85.4Confident145 Ų14588 Ų8868%0.67844%0.438SS*.Hα-helixtrans-68.5-34.5173.6-170.7174.7-166.500112.2H267 L269H267-E271 PolarHBondContact O-N 3.49Å; L269-E271 PolarHBondContact O-N 2.96Å
272Y86.2Confident85.2Confident186 Ų18686.9 Ų86.973%0.72942%0.424SS*.Hα-helixtrans-102.4-24.6-176.6-61.8-84.8000113.5N268 L269N268-Y272 VanDerWaalsContact O-CD2 3.28Å; N268-Y272 WeakPolarHBondContact O-CD2 3.36Å; L269-Y272 PolarHBondContact O-N 3.01Å
273V83.4Confident85Confident31 Ų3188.6 Ų88.619%0.18844%0.438CS..SBendtrans-116.8134.6-172.3-176.40000110.2L269 F275 I277 A278 I281L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 PolarHBondContact O-N 2.93Å; V273-F275 PolarHBondContact O-N 3.45Å; V273-I277 HydrophobicContact CG1-CB 3.91Å; V273-I277 HydrophobicContact CG1-CG2 4.06Å; V273-A278 HydrophobicContact CG1-CB 4.49Å; V273-I281 HydrophobicContact CG1-CD1 3.9Å; V273-I281 HydrophobicContact CG2-CD1 4.17Å
274P84Confident84.9Confident78 Ų7892.8 Ų92.851%0.50645%0.445SS..  trans-56.2141.1174.922.3-33.6000112.1W276 I277 A278P274-W276 PolarHBondContact O-N 2.99Å; P274-I277 HydrophobicContact CG-CD1 4.09Å; P274-I277 PolarHBondContact O-N 3.37Å; P274-A278 PolarHBondContact O-N 3.32Å
275F84.4Confident84.7Confident129 Ų12989.5 Ų89.557%0.56644%0.435SS*.THydrogen-bonded Turntrans-56.7-25.9-168.374-96.5000115V273 P279V273-F275 PolarHBondContact O-N 3.45Å; F275-P279 WeakPolarHBondContact O-CD 3.45Å
276W84.8Confident84.6Confident186 Ų18689.8 Ų89.871%0.70544%0.435SS*.THydrogen-bonded Turntrans-71.3-30.1178.6-50.581.8000113.2P274 F280P274-W276 PolarHBondContact O-N 2.99Å; W276-F280 WeakPolarHBondContact O-CD2 3.47Å; W276-F280 WeakPolarHBondContact O-CE2 3.38Å
277I86Confident84.6Confident91 Ų9191.8 Ų91.847%0.46745%0.446SS..THydrogen-bonded Turntrans-97-30.6-176.1-59.6174.2000111.1V273 P274 P279 F280 I281V273-I277 HydrophobicContact CG1-CB 3.91Å; V273-I277 HydrophobicContact CG1-CG2 4.06Å; P274-I277 HydrophobicContact CG-CD1 4.09Å; P274-I277 PolarHBondContact O-N 3.37Å; I277-P279 VanDerWaalsContact C-CD 3.45Å; I277-F280 PolarHBondContact O-N 3.22Å; I277-F280 VanDerWaalsContact O-N 3.09Å; I277-I281 HydrophobicContact CG2-CD1 3.87Å; I277-I281 HydrophobicContact CG2-CG1 4.06Å; I277-I281 PolarHBondContact O-N 2.93Å
278A80.5Confident84.4Confident0 Ų090 Ų900%044%0.439CS..Hα-helixtrans-47.2-45.6178.900000115.5Y266 V273 P274 F280 I281 C282Y266-A278 HydrophobicContact CE2-CB 4.05Å; V273-A278 HydrophobicContact CG1-CB 4.49Å; P274-A278 PolarHBondContact O-N 3.32Å; A278-F280 PolarHBondContact O-N 2.89Å; A278-I281 PolarHBondContact O-N 3.35Å; A278-C282 PolarHBondContact O-N 3.31Å; A278-C282 PolarHBondContact O-SG 2.84Å
279P83.9Confident84.2Confident55 Ų5587.5 Ų87.536%0.35744%0.436SS..Hα-helixtrans-65.4-36.9179.424.7-34.3000112.9F275 I277 C282 V283F275-P279 WeakPolarHBondContact O-CD 3.45Å; I277-P279 VanDerWaalsContact C-CD 3.45Å; P279-C282 PolarHBondContact O-N 3.16Å; P279-V283 WeakPolarHBondContact O-CG2 3.06Å; P279-V283 PolarHBondContact O-N 3.48Å
280F86.9Confident84.2Confident156 Ų15689.6 Ų89.668%0.68445%0.45SS*.Hα-helixtrans-65.7-41.1178.2-65.5-76.3000111.7W276 I277 A278 V283 F284W276-F280 WeakPolarHBondContact O-CD2 3.47Å; W276-F280 WeakPolarHBondContact O-CE2 3.38Å; I277-F280 PolarHBondContact O-N 3.22Å; I277-F280 VanDerWaalsContact O-N 3.09Å; A278-F280 PolarHBondContact O-N 2.89Å; F280-V283 PolarHBondContact O-N 3.25Å; F280-F284 WeakPolarHBondContact O-CB 3.49Å; F280-F284 PolarHBondContact O-N 2.98Å
281I82.7Confident84Confident57 Ų5792.3 Ų92.329%0.29246%0.456SS..Hα-helixtrans-64.7-43.8175.2-61.7179.1000110.3L269 V273 I277 A278 V283 F284 C285L269-I281 HydrophobicContact CD1-CG2 4.2Å; V273-I281 HydrophobicContact CG1-CD1 3.9Å; V273-I281 HydrophobicContact CG2-CD1 4.17Å; I277-I281 HydrophobicContact CG2-CD1 3.87Å; I277-I281 HydrophobicContact CG2-CG1 4.06Å; I277-I281 PolarHBondContact O-N 2.93Å; A278-I281 PolarHBondContact O-N 3.35Å; I281-V283 PolarHBondContact O-N 3.19Å; I281-F284 PolarHBondContact O-N 2.86Å; I281-C285 WeakPolarHBondContact O-CB 3.27Å; I281-C285 PolarHBondContact O-N 3.39Å; I281-C285 PolarHBondContact O-SG 3.33Å; I281-C285 VanDerWaalsContact O-SG 3.34Å
282C83.2Confident83.9Confident11 Ų1188.1 Ų88.17%0.07445%0.446CS..Hα-helixtrans-59.1-46.6177.3-70.60000111.9L269 A278 P279 F284 C285 M286L269-C282 VanDerWaalsContact CD1-SG 3.58Å; A278-C282 PolarHBondContact O-N 3.31Å; A278-C282 PolarHBondContact O-SG 2.84Å; P279-C282 PolarHBondContact O-N 3.16Å; C282-F284 VanDerWaalsContact C-N 3.33Å; C282-F284 PolarHBondContact O-N 2.86Å; C282-C285 PolarHBondContact O-N 3.44Å; C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.45Å; C282-M286 PolarHBondContact O-N 3.37Å
283V83.5Confident83.7Confident103 Ų10385.7 Ų85.762%0.62444%0.44SS*.Hα-helixtrans-61.3-42.7176.6172.10000111P279 F280 I281 M286 F287P279-V283 WeakPolarHBondContact O-CG2 3.06Å; P279-V283 PolarHBondContact O-N 3.48Å; F280-V283 PolarHBondContact O-N 3.25Å; I281-V283 PolarHBondContact O-N 3.19Å; V283-M286 PolarHBondContact O-N 3.36Å; V283-F287 WeakPolarHBondContact O-CB 3.22Å; V283-F287 PolarHBondContact O-N 3.18Å
284F84.9Confident83.6Confident128 Ų12888.4 Ų88.456%0.56146%0.456SS*.Hα-helixtrans-62.7-46.1176.4-179.2-98.9000112.3F280 I281 C282 M286 F287 M288F280-F284 WeakPolarHBondContact O-CB 3.49Å; F280-F284 PolarHBondContact O-N 2.98Å; I281-F284 PolarHBondContact O-N 2.86Å; C282-F284 VanDerWaalsContact C-N 3.33Å; C282-F284 PolarHBondContact O-N 2.86Å; F284-M286 VanDerWaalsContact C-N 3.31Å; F284-M286 PolarHBondContact O-N 3.47Å; F284-F287 PolarHBondContact O-N 2.9Å; F284-M288 HydrophobicContact CD1-CG 4.19Å; F284-M288 HydrophobicContact CE1-CG 3.75Å; F284-M288 HydrophobicContact CE2-CG 4.2Å; F284-M288 HydrophobicContact CE2-SD 4.46Å; F284-M288 HydrophobicContact CZ-CG 3.75Å; F284-M288 HydrophobicContact CZ-SD 4.1Å; F284-M288 WeakPolarHBondContact O-CG 3.32Å; F284-M288 PolarHBondContact O-N 3.49Å
285C83.6Confident83.4Confident53 Ų5390.6 Ų90.636%0.35846%0.458SS..Hα-helixtrans-59.4-42.1175.3-72.70000111.8L265 I281 C282 M288 G289L265-C285 HydrophobicContact CD2-CB 4.28Å; I281-C285 WeakPolarHBondContact O-CB 3.27Å; I281-C285 PolarHBondContact O-N 3.39Å; I281-C285 PolarHBondContact O-SG 3.33Å; I281-C285 VanDerWaalsContact O-SG 3.34Å; C282-C285 PolarHBondContact O-N 3.44Å; C285-M288 PolarHBondContact O-N 3.13Å; C285-G289 PolarHBondContact O-N 3.07Å
286M83.7Confident83.1Confident70 Ų7087.2 Ų87.235%0.34545%0.45SS..Hα-helixtrans-63.1-44.8175.4-72.2-59.8-66.400111.7I262 C282 V283 F284 M288 G289 V290I262-M286 HydrophobicContact CD1-CE 3.64Å; I262-M286 HydrophobicContact CD1-SD 4.17Å; I262-M286 HydrophobicContact CG1-CE 3.89Å; I262-M286 HydrophobicContact CG1-SD 3.75Å; C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.45Å; C282-M286 PolarHBondContact O-N 3.37Å; V283-M286 PolarHBondContact O-N 3.36Å; F284-M286 VanDerWaalsContact C-N 3.31Å; F284-M286 PolarHBondContact O-N 3.47Å; M286-M288 PolarHBondContact O-N 3.48Å; M286-G289 PolarHBondContact O-N 2.85Å; M286-V290 WeakPolarHBondContact O-CG2 3.38Å; M286-V290 PolarHBondContact O-N 2.83Å
287F85.5Confident82.7Confident141 Ų14182 Ų8262%0.61844%0.436SS*.Hα-helixtrans-62.4-43.8177.7-169.1-95.4000112V283 F284 V290 F291V283-F287 WeakPolarHBondContact O-CB 3.22Å; V283-F287 PolarHBondContact O-N 3.18Å; F284-F287 PolarHBondContact O-N 2.9Å; F287-V290 PolarHBondContact O-N 3.33Å; F287-F291 WeakPolarHBondContact O-CB 3.11Å; F287-F291 PolarHBondContact O-N 3.02Å
288M84.1Confident82Confident92 Ų9284.3 Ų84.345%0.45344%0.444SS..Hα-helixtrans-63.7-40.3175.3-71.7-61.1-69.700112.1F284 C285 M286 F291 A292F284-M288 HydrophobicContact CD1-CG 4.19Å; F284-M288 HydrophobicContact CE1-CG 3.75Å; F284-M288 HydrophobicContact CE2-CG 4.2Å; F284-M288 HydrophobicContact CE2-SD 4.46Å; F284-M288 HydrophobicContact CZ-CG 3.75Å; F284-M288 HydrophobicContact CZ-SD 4.1Å; F284-M288 WeakPolarHBondContact O-CG 3.32Å; F284-M288 PolarHBondContact O-N 3.49Å; C285-M288 PolarHBondContact O-N 3.13Å; M286-M288 PolarHBondContact O-N 3.48Å; M288-F291 PolarHBondContact O-N 3.2Å; M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.24Å; M288-A292 PolarHBondContact O-N 3.32Å
289G82.7Confident81.7Confident41 Ų4194.6 Ų94.642%0.42348%0.483SS..Hα-helixtrans-61.7-46.817500000112.4C285 M286 A292 F293C285-G289 PolarHBondContact O-N 3.07Å; M286-G289 PolarHBondContact O-N 2.85Å; G289-A292 PolarHBondContact O-N 3.16Å; G289-F293 VanDerWaalsContact O-CB 3.31Å; G289-F293 WeakPolarHBondContact O-CB 3.27Å; G289-F293 PolarHBondContact O-N 2.95Å
290V83.6Confident81.1Confident83 Ų83100.5 Ų100.550%0.50350%0.503SS..Hα-helixtrans-62.8-45.5175.6173.20000110.9M286 F287 A292 F293 V294M286-V290 WeakPolarHBondContact O-CG2 3.38Å; M286-V290 PolarHBondContact O-N 2.83Å; F287-V290 PolarHBondContact O-N 3.33Å; V290-A292 PolarHBondContact O-N 3.36Å; V290-F293 PolarHBondContact O-N 3.34Å; V290-V294 HydrophobicContact CG1-CG2 4.35Å; V290-V294 VanDerWaalsContact O-CG2 3.31Å; V290-V294 WeakPolarHBondContact O-CG2 3.5Å; V290-V294 PolarHBondContact O-N 2.85Å
291F81.1Confident80.2Confident102 Ų10298.1 Ų98.145%0.44750%0.502SS..Hα-helixtrans-61.6-43.5178.2-179.2-101.7000112.4F287 M288 V294 K295F287-F291 WeakPolarHBondContact O-CB 3.11Å; F287-F291 PolarHBondContact O-N 3.02Å; M288-F291 PolarHBondContact O-N 3.2Å; F291-V294 PolarHBondContact O-N 2.88Å; F291-K295 HydrophobicContact CE1-CD 3.79Å; F291-K295 HydrophobicContact CZ-CD 3.95Å; F291-K295 HydrophobicContact CZ-CG 4.48Å; F291-K295 PolarHBondContact O-N 3.41Å
292A82.6Confident79Confident57 Ų5796.7 Ų96.747%0.47150%0.501SS..Hα-helixtrans-63.7-41.3175.700000111.8M288 G289 V290 K295 S296M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.24Å; M288-A292 PolarHBondContact O-N 3.32Å; G289-A292 PolarHBondContact O-N 3.16Å; V290-A292 PolarHBondContact O-N 3.36Å; A292-K295 PolarHBondContact O-N 3.49Å; A292-S296 WeakPolarHBondContact O-CB 3.38Å; A292-S296 PolarHBondContact O-N 2.9Å
293F82.3Confident78Confident136 Ų136102 Ų10260%0.59654%0.535SS*.Hα-helixtrans-62.9-47.1176.6-176.3-105.3000112G289 V290 K295 S296 I297G289-F293 VanDerWaalsContact O-CB 3.31Å; G289-F293 WeakPolarHBondContact O-CB 3.27Å; G289-F293 PolarHBondContact O-N 2.95Å; V290-F293 PolarHBondContact O-N 3.34Å; F293-K295 PolarHBondContact O-N 3.25Å; F293-S296 WeakPolarHBondContact O-CB 3.29Å; F293-S296 PolarHBondContact O-N 3.35Å; F293-S296 VanDerWaalsContact O-N 3.16Å; F293-I297 HydrophobicContact CD1-CD1 3.75Å; F293-I297 HydrophobicContact CE1-CD1 3.24Å; F293-I297 HydrophobicContact CE1-CG1 4.31Å; F293-I297 HydrophobicContact CE2-CD1 4.26Å; F293-I297 HydrophobicContact CG-CD1 4.46Å; F293-I297 HydrophobicContact CZ-CD1 3.54Å; F293-I297 HydrophobicContact CZ-CG1 4.33Å; F293-I297 PolarHBondContact O-N 3.4Å
294V81.2Confident76.7Confident87 Ų87102.1 Ų102.153%0.52754%0.538SS..Hα-helixtrans-60.7-44.3176.4172.10000111.2V290 F291 S296 I297 H298V290-V294 HydrophobicContact CG1-CG2 4.35Å; V290-V294 VanDerWaalsContact O-CG2 3.31Å; V290-V294 WeakPolarHBondContact O-CG2 3.5Å; V290-V294 PolarHBondContact O-N 2.85Å; F291-V294 PolarHBondContact O-N 2.88Å; V294-S296 VanDerWaalsContact C-N 3.32Å; V294-S296 PolarHBondContact O-N 3.47Å; V294-I297 PolarHBondContact O-N 3.25Å; V294-H298 WeakPolarHBondContact O-CB 3.41Å; V294-H298 PolarHBondContact O-N 3.49Å
295K79.9Confident75.4Confident125 Ų125100.6 Ų100.654%0.54354%0.543SS..Hα-helixtrans-62.5-37.8175-96.7-171167.3174.80112.9F291 A292 F293 R299F291-K295 HydrophobicContact CE1-CD 3.79Å; F291-K295 HydrophobicContact CZ-CD 3.95Å; F291-K295 HydrophobicContact CZ-CG 4.48Å; F291-K295 PolarHBondContact O-N 3.41Å; A292-K295 PolarHBondContact O-N 3.49Å; F293-K295 PolarHBondContact O-N 3.25Å; K295-R299 PolarHBondContact O-N 2.97Å
296S77.9Confident73.8Confident58 Ų58106.5 Ų106.541%0.40657%0.565SS.*Hα-helixtrans-63.8-49.4176.9-1740000110.9A292 F293 V294 H298 R299 F300A292-S296 WeakPolarHBondContact O-CB 3.38Å; A292-S296 PolarHBondContact O-N 2.9Å; F293-S296 WeakPolarHBondContact O-CB 3.29Å; F293-S296 PolarHBondContact O-N 3.35Å; F293-S296 VanDerWaalsContact O-N 3.16Å; V294-S296 VanDerWaalsContact C-N 3.32Å; V294-S296 PolarHBondContact O-N 3.47Å; S296-H298 PolarHBondContact O-N 3.34Å; S296-R299 WeakPolarHBondContact O-CB 3.38Å; S296-R299 PolarHBondContact O-N 3.36Å; S296-R299 VanDerWaalsContact O-N 3.13Å; S296-F300 WeakPolarHBondContact O-CD2 3.38Å; S296-F300 PolarHBondContact O-N 3.14Å; S296-F300 VanDerWaalsContact O-N 3.07Å
297I76.9Confident72.5Confident77 Ų77110.1 Ų110.140%0.39559%0.586SS.*Hα-helixtrans-58.2-48.6176.5-68.6174.2000110.5F293 V294 R299 F300 T301F293-I297 HydrophobicContact CD1-CD1 3.75Å; F293-I297 HydrophobicContact CE1-CD1 3.24Å; F293-I297 HydrophobicContact CE1-CG1 4.31Å; F293-I297 HydrophobicContact CE2-CD1 4.26Å; F293-I297 HydrophobicContact CG-CD1 4.46Å; F293-I297 HydrophobicContact CZ-CD1 3.54Å; F293-I297 HydrophobicContact CZ-CG1 4.33Å; F293-I297 PolarHBondContact O-N 3.4Å; V294-I297 PolarHBondContact O-N 3.25Å; I297-R299 PolarHBondContact O-N 3.47Å; I297-F300 PolarHBondContact O-N 3.15Å; I297-T301 HydrophobicContact CG2-CG2 4.15Å; I297-T301 PolarHBondContact O-N 3.09Å; I297-T301 PolarHBondContact O-OG1 2.67Å; I297-T301 VanDerWaalsContact O-OG1 3.1Å
298H72.1Confident70.9Confident138 Ų138114.1 Ų114.164%0.63960%0.597SS**Hα-helixtrans-61.1-31.2-179.8-168.6-62.3000112.7V294 S296 G302V294-H298 WeakPolarHBondContact O-CB 3.41Å; V294-H298 PolarHBondContact O-N 3.49Å; S296-H298 PolarHBondContact O-N 3.34Å; H298-G302 PolarHBondContact O-N 3.48Å; H298-G302 VanDerWaalsContact O-N 3.07Å
299R74Confident69.3Low217 Ų217121.2 Ų121.282%0.81962%0.619SS**Hα-helixtrans-71-36172.8-81.3-174.8177.6-170.30.2112.5K295 S296 I297K295-R299 PolarHBondContact O-N 2.97Å; S296-R299 WeakPolarHBondContact O-CB 3.38Å; S296-R299 PolarHBondContact O-N 3.36Å; S296-R299 VanDerWaalsContact O-N 3.13Å; I297-R299 PolarHBondContact O-N 3.47Å
300F69.9Low68Low178 Ų178124.8 Ų124.878%0.78163%0.632SS**Hα-helixtrans-74.9-34.8177.7-90.1-79.5000113.2S296 I297S296-F300 WeakPolarHBondContact O-CD2 3.38Å; S296-F300 PolarHBondContact O-N 3.14Å; S296-F300 VanDerWaalsContact O-N 3.07Å; I297-F300 PolarHBondContact O-N 3.15Å
301T69.7Low66.6Low107 Ų107132.3 Ų132.366%0.65665%0.651SS**Hα-helixtrans-89.4-7.8178.7590000113.7I297I297-T301 HydrophobicContact CG2-CG2 4.15Å; I297-T301 PolarHBondContact O-N 3.09Å; I297-T301 PolarHBondContact O-OG1 2.67Å; I297-T301 VanDerWaalsContact O-OG1 3.1Å
302G55.9Low65.3Low27 Ų27135.3 Ų135.328%0.27867%0.666SS.*SBendtrans-60.7147.1176.100000111.4H298H298-G302 PolarHBondContact O-N 3.48Å; H298-G302 VanDerWaalsContact O-N 3.07Å
303P62.9Low63.8Low121 Ų121142.2 Ų142.279%0.78669%0.686SS**PPolyproline II helixtrans-55.6140.5178.523.2-32.5000109.8S305P303-S305 PolarHBondContact O-N 2.91Å
304P57.1Low62.5Low106 Ų106143.3 Ų143.369%0.68870%0.696SS**PPolyproline II helixtrans-56.2117.3179.722.6-31.9000108.4H306P304-H306 PolarHBondContact O-N 2.96Å
305S56.4Low61.2Low97 Ų97148.7 Ų148.768%0.67871%0.712SS**  trans-50.9110.6172.3170.30000107.7P303 N307P303-S305 PolarHBondContact O-N 2.91Å; S305-N307 PolarHBondContact O-N 3.22Å
306H51.1Low60Low177 Ų177148 Ų14882%0.81972%0.724SS**  trans-71.278.8178.3-155.8-59.1000106.9P304 R308P304-H306 PolarHBondContact O-N 2.96Å; H306-R308 PolarHBondContact O-N 3.39Å
307N55.4Low59.1Low145 Ų145150.7 Ų150.778%0.77574%0.742SS**  trans-62.294.7171.7-95.2-11000107.4S305 R309S305-N307 PolarHBondContact O-N 3.22Å; N307-R309 PolarHBondContact O-N 2.89Å
308R51.3Low58Low225 Ų225152.5 Ų152.585%0.84976%0.762SS**  trans-38.8108.9171.4-126173.3-175.4171.21.6108.1H306 V310H306-R308 PolarHBondContact O-N 3.39Å; R308-V310 PolarHBondContact O-N 3.19Å
309R52Low57.3Low241 Ų241152.1 Ų152.191%0.90977%0.769SS**  trans-55113.8160.6-84.7-175.8-171.5174.43.1106.6N307 R311N307-R309 PolarHBondContact O-N 2.89Å; R309-R311 PolarHBondContact O-N 3.11Å
310V55.1Low56.4Low116 Ų116147.6 Ų147.670%0.70377%0.768SS**  trans-60.4104.2169.3177.50000106.3R308 H312R308-V310 PolarHBondContact O-N 3.19Å; V310-H312 PolarHBondContact O-N 3.04Å
311R53.7Low55.7Low242 Ų242144.1 Ų144.191%0.91377%0.766SS**  trans-63.1102.5166.9-108.3-176.5177.8-177.4-0.4106R309 K313R309-R311 PolarHBondContact O-N 3.11Å; R311-K313 PolarHBondContact O-N 2.81Å
312H53Low55.1Low164 Ų164147 Ų14776%0.75978%0.776SS**  trans-59.6104.7165.4-79.4-81.9000107.7V310 I314V310-H312 PolarHBondContact O-N 3.04Å; H312-I314 VanDerWaalsContact C-N 3.35Å; H312-I314 PolarHBondContact O-N 2.75Å
313K52Low55.1Low202 Ų202151.6 Ų151.688%0.87880%0.799SS**  trans-70.995.9171.6-145.6-179.8-172.6-173.70105.7R311 K315R311-K313 PolarHBondContact O-N 2.81Å; K313-K315 PolarHBondContact O-N 2.88Å
314I54.5Low54.6Low159 Ų159154.9 Ų154.982%0.81582%0.824SS**  trans-59.1108.3170.9-63.5171.4000105.9H312 S316H312-I314 VanDerWaalsContact C-N 3.35Å; H312-I314 PolarHBondContact O-N 2.75Å; I314-S316 PolarHBondContact O-N 3.01Å; I314-S316 VanDerWaalsContact O-N 3.12Å
315K53.9Low54.5Low200 Ų200157.3 Ų157.387%0.8783%0.831SS**  trans-73.899.1178.2-142.8177.8-175.2-174.60105.7K313 S317K313-K315 PolarHBondContact O-N 2.88Å; K315-S317 PolarHBondContact O-N 3.39Å; K315-S317 VanDerWaalsContact O-N 3.08Å
316S56Low54.4Low111 Ų111160.5 Ų160.578%0.77684%0.839SS**  trans-57.4110.3169.752.60000108.4I314 S318I314-S316 PolarHBondContact O-N 3.01Å; I314-S316 VanDerWaalsContact O-N 3.12Å; S316-S318 PolarHBondContact O-N 2.97Å
317S57.8Low54.6Low114 Ų114159.6 Ų159.680%0.79784%0.84SS**  trans-66.3113.2171.949.10000109.2K315 T319K315-S317 PolarHBondContact O-N 3.39Å; K315-S317 VanDerWaalsContact O-N 3.08Å; S317-T319 PolarHBondContact O-N 3.47Å
318S54.2Low54.5Low115 Ų115160.4 Ų160.480%0.80484%0.844SS**PPolyproline II helixtrans-67.4122.5167.7490000109.8S316S316-S318 PolarHBondContact O-N 2.97Å
319T56.6Low54.7Low130 Ų130156.4 Ų156.480%0.79884%0.843SS**PPolyproline II helixtrans-56.8137170.2370000111.9S317S317-T319 PolarHBondContact O-N 3.47Å
320P56.4Low54.9Low123 Ų123150.7 Ų150.780%0.79984%0.839SS**PPolyproline II helixtrans-76.6138.9179.429.9-31.7000111.7
321S54.4Low54.9Low105 Ų105153.2 Ų153.273%0.73485%0.849SS**PPolyproline II helixtrans-71.3126.8176.649.60000111.4T323S321-T323 PolarHBondContact O-N 2.9Å
322I57Low55Low167 Ų167146.4 Ų146.486%0.85684%0.844SS**  trans-74.8114.4170.2-63.8169.7000108
323T55.3Low55.1Low124 Ų124144.9 Ų144.976%0.76185%0.851SS**  trans-120.9107.4164.845.30000108.7S321S321-T323 PolarHBondContact O-N 2.9Å
324S53.4Low55.4Low189 Ų189139.7 Ų139.7100%1.32285%0.848SS**  trans1790133.660.70000108.9

Retrieved 324 of 324 residues in 87.4 ms (Link to these results)