A0A077Z776_TRITR Loading...

RabGAP-TBC domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z776, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42.1Very low36.9Very low250 Ų250126.8 Ų126.8100%1.23285%0.854SS**  091.90-72.9166.8170.100108.4
2N42.5Very low36.6Very low167 Ų167132.3 Ų132.389%0.89386%0.858SS**  trans-171.1122147.1-137.95000109.1
3T39.4Very low36.2Very low138 Ų138130.9 Ų130.985%0.84785%0.853SS**  trans-139.2138.2179.244.80000109.5
4G36.6Very low35.6Very low78 Ų78129.8 Ų129.880%0.80485%0.85SS**  trans89.4119167.700000113
5G37.9Very low35.4Very low82 Ų82129.9 Ų129.985%0.84585%0.847SS**  cis89.9136.643.500000108.6
6S40.4Very low35.2Very low108 Ų108128.9 Ų128.976%0.75584%0.844SS**  cis-169.7155.1-0.6-1510000107.9
7S36.9Very low34.9Very low106 Ų106127.1 Ų127.174%0.74183%0.834SS**  trans57.3117.7143.2-39.60000121.7
8A32.2Very low34.7Very low106 Ų106127.9 Ų127.988%0.87683%0.83SS**  trans-73.5139.6158.500000111.8
9S34.6Very low34.5Very low110 Ų110124.2 Ų124.277%0.76981%0.811SS**  trans-150.3115.6157.753.60000110.3
10T28.7Very low34.2Very low136 Ų136125.7 Ų125.783%0.83481%0.812SS**  trans-57.6137.6171.2-56.80000111.6
11S35.1Very low34.2Very low114 Ų114128.2 Ų128.280%0.79781%0.813SS**  trans-144.3116.2163.4-59.10000108.7
12Q32.5Very low33.4Very low192 Ų192124.7 Ų124.790%0.89779%0.787SS**  trans-71137.1166.1-71.1172.4-1000109
13S32Very low32.7Very low115 Ų115125.5 Ų125.580%0.80478%0.783SS**  trans-150.3130.6145.466.80000109.9
14S28Very low32.1Very low115 Ų115125.5 Ų125.580%0.80478%0.783SS**  trans-69.5131.9176.847.10000112.3
15T32Very low32.1Very low132 Ų132126.4 Ų126.481%0.8178%0.776SS**  trans-135.7113.7150.350.60000109.1
16S32.1Very low31.8Very low114 Ų114128.1 Ų128.180%0.79778%0.782SS**  trans-40.1149155.253.40000112.3
17S30.9Very low31.6Very low97 Ų97127.7 Ų127.768%0.67877%0.771SS**  trans111.444.9163.7-162.90000117.2
18D30.9Very low32Very low142 Ų142131.2 Ų131.276%0.75978%0.781SS**  trans-113.364.7151-66.4-31.4000107.6Y22D18-Y22 PolarHBondContact O-OH 3.44Å
19A30.6Very low32.6Very low57 Ų57130 Ų13047%0.47177%0.767SS.*  31.311164.900000111.9
20N29.1Very low33.7Very low154 Ų154129.8 Ų129.882%0.82476%0.761SS**SBendtrans89.749.8160.7-49.5-22.8000119.7
21H33.6Very low35.2Very low179 Ų179127.3 Ų127.383%0.82974%0.742SS**SBendtrans-158.3-18.7144.4-136.756000119.2
22Y25.3Very low36.5Very low176 Ų176126.3 Ų126.369%0.6973%0.731SS**SBendtrans-136.318-165.241.1-97.3000115.5D18D18-Y22 PolarHBondContact O-OH 3.44Å
23K28.8Very low38Very low185 Ų185125.1 Ų125.180%0.80472%0.723SS**  trans-149.592174.1-74-176.5178.31700110.8
24T27Very low39.9Very low138 Ų138124.1 Ų124.185%0.84771%0.706SS**SBendtrans-171.1117.3140.1-50.70000108.2
25C36.5Very low42Very low97 Ų97121.6 Ų121.666%0.65569%0.686SS**  trans50.5112.3171.5-65.50000117.9D27C25-D27 HydrophobicContact CB-CB 3.86Å
26A31.1Very low43.8Very low118 Ų118122.7 Ų122.798%0.97568%0.675SS**  cis46.828.614.600000116.1
27D35.9Very low46.1Very low99 Ų99120.6 Ų120.653%0.52966%0.66SS.*  trans-146.358.6169.9-150.65.6000110.9C25 S29C25-D27 HydrophobicContact CB-CB 3.86Å; D27-S29 PolarHBondContact O-N 3.38Å; D27-S29 PolarHBondContact OD1-OG 3.12Å
28D45.1Very low48.6Very low179 Ų179122.3 Ų122.396%0.95765%0.653SS**  trans-85.625.4162.8-85-26.4000111
29S45.8Very low51.3Low81 Ų81118.6 Ų118.657%0.56663%0.633SS**  trans-10279.9160.744.20000108.2D27 D31D27-S29 PolarHBondContact O-N 3.38Å; D27-S29 PolarHBondContact OD1-OG 3.12Å; S29-D31 VanDerWaalsContact C-N 3.3Å; S29-D31 PolarHBondContact O-N 3.3Å
30V57.5Low54.1Low106 Ų106121.7 Ų121.764%0.64264%0.637SS**  trans-53.7109.2151.6-177.60000105V32 V35V30-V32 PolarHBondContact O-N 3.41Å; V30-V35 HydrophobicContact CG1-CG2 3.56Å
31D60.4Low56.9Low83 Ų83119 Ų11944%0.44462%0.622SS.*  trans-57.2121.1-171.3178.71.5000108S29 F33 E34 V35S29-D31 VanDerWaalsContact C-N 3.3Å; S29-D31 PolarHBondContact O-N 3.3Å; D31-F33 PolarHBondContact O-N 3.15Å; D31-F33 VanDerWaalsContact O-N 3.11Å; D31-F33 WeakPolarHBondContact OD1-CB 3.4Å; D31-F33 PolarHBondContact OD1-N 3.01Å; D31-E34 HydrophobicContact CB-CB 4.13Å; D31-E34 WeakPolarHBondContact O-CA 3.31Å; D31-E34 WeakPolarHBondContact O-CB 3.43Å; D31-E34 PolarHBondContact O-N 3.45Å; D31-V35 PolarHBondContact O-N 3.46Å; D31-V35 VanDerWaalsContact O-N 3.08Å
32V62.1Low59.7Low94 Ų94112.6 Ų112.657%0.5760%0.596SS**Hα-helixtrans-51.6-37.2178.3171.50000109.3V30 E34 V35 W36V30-V32 PolarHBondContact O-N 3.41Å; V32-E34 PolarHBondContact O-N 3.06Å; V32-V35 PolarHBondContact O-N 3.15Å; V32-W36 VanDerWaalsContact CG1-CD1 3.41Å; V32-W36 VanDerWaalsContact CG1-NE1 3.31Å; V32-W36 PolarHBondContact O-N 3.34Å
33F62.7Low62.8Low167 Ų167112.7 Ų112.773%0.73260%0.595SS**Hα-helixtrans-62.5-39.7174.4-82.8-86.2000113.4D31 W36 S37D31-F33 PolarHBondContact O-N 3.15Å; D31-F33 VanDerWaalsContact O-N 3.11Å; D31-F33 WeakPolarHBondContact OD1-CB 3.4Å; D31-F33 PolarHBondContact OD1-N 3.01Å; F33-W36 PolarHBondContact O-N 3.1Å; F33-S37 WeakPolarHBondContact O-CB 3.25Å; F33-S37 PolarHBondContact O-N 3.01Å
34E72Confident65.9Low93 Ų93111 Ų11144%0.43559%0.59SS.*Hα-helixtrans-64.3-45.7177.3-147.1-168.6153.100110.2D31 V32 W36 S37 Y38D31-E34 HydrophobicContact CB-CB 4.13Å; D31-E34 WeakPolarHBondContact O-CA 3.31Å; D31-E34 WeakPolarHBondContact O-CB 3.43Å; D31-E34 PolarHBondContact O-N 3.45Å; V32-E34 PolarHBondContact O-N 3.06Å; E34-W36 PolarHBondContact O-N 3.4Å; E34-S37 WeakPolarHBondContact O-CB 3.4Å; E34-S37 PolarHBondContact O-N 2.94Å; E34-Y38 HydrophobicContact CB-CE2 4.36Å; E34-Y38 HydrophobicContact CG-CD2 4.19Å; E34-Y38 HydrophobicContact CG-CE2 3.54Å; E34-Y38 WeakPolarHBondContact O-CD2 3.39Å; E34-Y38 PolarHBondContact O-N 3.31Å; E34-Y38 VanDerWaalsContact OE1-CE2 3.25Å; E34-Y38 WeakPolarHBondContact OE1-CE2 3.39Å; E34-Y38 PolarHBondContact OE1-OH 3.42Å
35V71.8Confident69.1Low63 Ų63106.7 Ų106.738%0.38257%0.573SS.*Hα-helixtrans-59-46175.1-1780000111.5V30 D31 V32 S37 Y38 L39V30-V35 HydrophobicContact CG1-CG2 3.56Å; D31-V35 PolarHBondContact O-N 3.46Å; D31-V35 VanDerWaalsContact O-N 3.08Å; V32-V35 PolarHBondContact O-N 3.15Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.83Å; V35-Y38 PolarHBondContact O-N 3.43Å; V35-L39 HydrophobicContact CG1-CD1 4.27Å; V35-L39 WeakPolarHBondContact O-CG 3.34Å; V35-L39 PolarHBondContact O-N 2.92Å
36W70.8Confident71.7Confident154 Ų154103.2 Ų103.258%0.58355%0.547SS*.Hα-helixtrans-61-40.9176.9-79.8112000112.2V32 F33 E34 L39 Q40V32-W36 VanDerWaalsContact CG1-CD1 3.41Å; V32-W36 VanDerWaalsContact CG1-NE1 3.31Å; V32-W36 PolarHBondContact O-N 3.34Å; F33-W36 PolarHBondContact O-N 3.1Å; E34-W36 PolarHBondContact O-N 3.4Å; W36-L39 PolarHBondContact O-N 3.16Å; W36-Q40 PolarHBondContact O-N 3.35Å
37S80.3Confident74.7Confident70 Ų70101.6 Ų101.649%0.4953%0.527SS..Hα-helixtrans-61.9-46.8176.8-172.50000111.2F33 E34 V35 L39 Q40 L41F33-S37 WeakPolarHBondContact O-CB 3.25Å; F33-S37 PolarHBondContact O-N 3.01Å; E34-S37 WeakPolarHBondContact O-CB 3.4Å; E34-S37 PolarHBondContact O-N 2.94Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.83Å; S37-L39 PolarHBondContact O-N 2.94Å; S37-Q40 PolarHBondContact O-N 3.08Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; S37-L41 PolarHBondContact O-N 3.36Å; S37-L41 VanDerWaalsContact O-N 3.1Å
38Y82.8Confident77.4Confident133 Ų13398.6 Ų98.652%0.52252%0.52SS..Hα-helixtrans-59.9-44.4175.2-73.8-64.1000112.2E34 V35 Q40 L41 V42E34-Y38 HydrophobicContact CB-CE2 4.36Å; E34-Y38 HydrophobicContact CG-CD2 4.19Å; E34-Y38 HydrophobicContact CG-CE2 3.54Å; E34-Y38 WeakPolarHBondContact O-CD2 3.39Å; E34-Y38 PolarHBondContact O-N 3.31Å; E34-Y38 VanDerWaalsContact OE1-CE2 3.25Å; E34-Y38 WeakPolarHBondContact OE1-CE2 3.39Å; E34-Y38 PolarHBondContact OE1-OH 3.42Å; V35-Y38 PolarHBondContact O-N 3.43Å; Y38-Q40 VanDerWaalsContact C-N 3.27Å; Y38-Q40 PolarHBondContact O-N 3.17Å; Y38-L41 PolarHBondContact O-N 3.42Å; Y38-L41 VanDerWaalsContact O-N 3.15Å; Y38-V42 WeakPolarHBondContact O-CG2 3.01Å; Y38-V42 PolarHBondContact O-N 2.94Å
39L87.5Confident79.6Confident65 Ų6596.2 Ų96.234%0.3451%0.514SS..Hα-helixtrans-63.9-31.8178.2-69.6177.6000112.4V35 W36 S37 R43V35-L39 HydrophobicContact CG1-CD1 4.27Å; V35-L39 WeakPolarHBondContact O-CG 3.34Å; V35-L39 PolarHBondContact O-N 2.92Å; W36-L39 PolarHBondContact O-N 3.16Å; S37-L39 PolarHBondContact O-N 2.94Å; L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 2.91Å
40Q89Confident81.9Confident121 Ų12195.4 Ų95.457%0.56551%0.505SS*.Hα-helixtrans-66.8-43.1172-75.8-147.2-9.800112.4W36 S37 Y38 V42 R43 Q44W36-Q40 PolarHBondContact O-N 3.35Å; S37-Q40 PolarHBondContact O-N 3.08Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; Y38-Q40 VanDerWaalsContact C-N 3.27Å; Y38-Q40 PolarHBondContact O-N 3.17Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 3.49Å; Q40-R43 WeakPolarHBondContact O-CB 3.42Å; Q40-R43 PolarHBondContact O-N 2.89Å; Q40-Q44 WeakPolarHBondContact O-CG 3.34Å; Q40-Q44 PolarHBondContact O-N 3.06Å
41L89.3Confident83.7Confident97 Ų9795.4 Ų95.451%0.50849%0.494SS..Hα-helixtrans-62.1-41.4176-67173.5000111.3S37 Y38 R43 Q44 G45S37-L41 PolarHBondContact O-N 3.36Å; S37-L41 VanDerWaalsContact O-N 3.1Å; Y38-L41 PolarHBondContact O-N 3.42Å; Y38-L41 VanDerWaalsContact O-N 3.15Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.83Å; L41-Q44 PolarHBondContact O-N 3.11Å; L41-Q44 VanDerWaalsContact O-N 3.15Å; L41-G45 PolarHBondContact O-N 3.39Å
42V91.5Very high85.3Confident45 Ų4592.6 Ų92.627%0.27348%0.482SS..Hα-helixtrans-60-42174.6171.10000111.3Y38 Q40 Q44 G45 I46 V54 L58Y38-V42 WeakPolarHBondContact O-CG2 3.01Å; Y38-V42 PolarHBondContact O-N 2.94Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 3.49Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 2.9Å; V42-G45 WeakPolarHBondContact O-CA 3.47Å; V42-G45 PolarHBondContact O-N 3.43Å; V42-I46 HydrophobicContact CG1-CD1 4.11Å; V42-I46 HydrophobicContact CG1-CG1 4.37Å; V42-I46 HydrophobicContact CG2-CD1 4.38Å; V42-I46 HydrophobicContact CG2-CG1 4.35Å; V42-V54 HydrophobicContact CG2-CG1 4.46Å; V42-L58 HydrophobicContact CG1-CD1 4.16Å; V42-L58 HydrophobicContact CG2-CD1 4.16Å
43R91.7Very high86.8Confident179 Ų17993.3 Ų93.368%0.67548%0.482SS*.Hα-helixtrans-65.1-29.1176.7-76.3179178.4118.1-2.2113.5L39 Q40 L41 G45L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 2.91Å; Q40-R43 WeakPolarHBondContact O-CB 3.42Å; Q40-R43 PolarHBondContact O-N 2.89Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.83Å; R43-G45 PolarHBondContact O-N 3.26Å
44Q93.7Very high88.2Confident149 Ų14987 Ų8770%0.69646%0.457SS*.Hα-helixtrans-75.5-11.4173.4-67175.122.600112.7Q40 L41 V42Q40-Q44 WeakPolarHBondContact O-CG 3.34Å; Q40-Q44 PolarHBondContact O-N 3.06Å; L41-Q44 PolarHBondContact O-N 3.11Å; L41-Q44 VanDerWaalsContact O-N 3.15Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 2.9Å
45G92.9Very high89.3Confident47 Ų4786.4 Ų86.449%0.48545%0.451SS..  trans107.4136.7176.700000112.1L41 V42 R43L41-G45 PolarHBondContact O-N 3.39Å; V42-G45 WeakPolarHBondContact O-CA 3.47Å; V42-G45 PolarHBondContact O-N 3.43Å; R43-G45 PolarHBondContact O-N 3.26Å
46I92.8Very high90.4Very high24 Ų2484.7 Ų84.712%0.12344%0.439CS..  trans-87.8124179.3-57.3162.4000109.1V42 V50 R51 V54 L58V42-I46 HydrophobicContact CG1-CD1 4.11Å; V42-I46 HydrophobicContact CG1-CG1 4.37Å; V42-I46 HydrophobicContact CG2-CD1 4.38Å; V42-I46 HydrophobicContact CG2-CG1 4.35Å; I46-V50 HydrophobicContact CG2-CG2 3.82Å; I46-R51 HydrophobicContact CB-CG 4.01Å; I46-R51 HydrophobicContact CG2-CB 4.39Å; I46-R51 HydrophobicContact CG2-CG 3.69Å; I46-R51 PolarHBondContact O-NE 2.84Å; I46-R51 PolarHBondContact O-NH2 2.98Å; I46-V54 HydrophobicContact CD1-CB 4.21Å; I46-V54 HydrophobicContact CD1-CG1 3.51Å; I46-V54 HydrophobicContact CG1-CG1 4.13Å; I46-V54 HydrophobicContact CG2-CB 4.11Å; I46-V54 HydrophobicContact CG2-CG1 4.37Å; I46-V54 HydrophobicContact CG2-CG2 4.13Å; I46-L58 HydrophobicContact CD1-CD1 4.33Å
47P93.4Very high91.4Very high85 Ų8583 Ų8355%0.55244%0.44SS*.  trans-57.5139.1175-23.933.4000111.9P49 V50 R51P47-P49 VanDerWaalsContact C-CD 3.49Å; P47-V50 HydrophobicContact CB-CG2 4.17Å; P47-V50 HydrophobicContact CG-CG2 4.38Å; P47-V50 VanDerWaalsContact O-CG2 3.31Å; P47-V50 WeakPolarHBondContact O-CG2 3.48Å; P47-V50 PolarHBondContact O-N 3.16Å; P47-V50 VanDerWaalsContact O-N 3.12Å; P47-R51 PolarHBondContact O-N 3.33Å
48G92Very high92Very high36 Ų3682.9 Ų82.937%0.37143%0.434SS..G310 helixtrans-45.3-50.8-174.800000115.3V50 R51G48-V50 PolarHBondContact O-N 2.9Å; G48-V50 VanDerWaalsContact O-N 3.16Å; G48-R51 PolarHBondContact O-N 3.4Å
49P92.5Very high92.5Very high128 Ų12876.8 Ų76.883%0.83141%0.411SS*.G310 helixtrans-62.6-23.3-175.4-26.235.9000115.5P47P47-P49 VanDerWaalsContact C-CD 3.49Å
50V93.2Very high92.8Very high64 Ų6478 Ų7839%0.38843%0.425SS..G310 helixtrans-106.3-1.3-176.7-610000113I46 P47 G48 A52 L53 V54I46-V50 HydrophobicContact CG2-CG2 3.82Å; P47-V50 HydrophobicContact CB-CG2 4.17Å; P47-V50 HydrophobicContact CG-CG2 4.38Å; P47-V50 VanDerWaalsContact O-CG2 3.31Å; P47-V50 WeakPolarHBondContact O-CG2 3.48Å; P47-V50 PolarHBondContact O-N 3.16Å; P47-V50 VanDerWaalsContact O-N 3.12Å; G48-V50 PolarHBondContact O-N 2.9Å; G48-V50 VanDerWaalsContact O-N 3.16Å; V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.06Å; V50-L53 PolarHBondContact O-N 3.18Å; V50-V54 HydrophobicContact CB-CG2 4.43Å; V50-V54 HydrophobicContact CG2-CG2 4.39Å; V50-V54 WeakPolarHBondContact O-CG2 3.37Å; V50-V54 PolarHBondContact O-N 3.31Å
51R95.1Very high92.9Very high106 Ų10672.9 Ų72.940%0.440%0.403SS..Hα-helixtrans-57.1-44.4-178.5-75.6-179.4-172.7160.1-0.3112.8I46 P47 G48 L53 V54 W55 L138I46-R51 HydrophobicContact CB-CG 4.01Å; I46-R51 HydrophobicContact CG2-CB 4.39Å; I46-R51 HydrophobicContact CG2-CG 3.69Å; I46-R51 PolarHBondContact O-NE 2.84Å; I46-R51 PolarHBondContact O-NH2 2.98Å; P47-R51 PolarHBondContact O-N 3.33Å; G48-R51 PolarHBondContact O-N 3.4Å; R51-L53 VanDerWaalsContact C-N 3.33Å; R51-L53 PolarHBondContact O-N 3.02Å; R51-V54 PolarHBondContact O-N 3.34Å; R51-W55 VanDerWaalsContact O-CB 3.29Å; R51-W55 WeakPolarHBondContact O-CB 3.27Å; R51-W55 VanDerWaalsContact O-CG 3.23Å; R51-W55 PolarHBondContact O-N 3.33Å; R51-L138 HydrophobicContact CB-CD1 4.19Å; R51-L138 HydrophobicContact CB-CD2 4.36Å
52A93.8Very high93Very high24 Ų2472.4 Ų72.420%0.19840%0.401CS..Hα-helixtrans-56.6-49.1-178.600000111.6V50 Q56 L138V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.06Å; A52-Q56 VanDerWaalsContact O-CG 3.3Å; A52-Q56 WeakPolarHBondContact O-CG 3.18Å; A52-Q56 PolarHBondContact O-N 3.49Å; A52-Q56 PolarHBondContact O-NE2 3.34Å; A52-L138 HydrophobicContact CB-CB 4.26Å; A52-L138 WeakPolarHBondContact CB-O 3.42Å
53L93.3Very high93.1Very high109 Ų10972.5 Ų72.557%0.57140%0.398SS*.Hα-helixtrans-65.1-49.8178.3178.762.9000111.6V50 R51 W55 Q56 L57V50-L53 PolarHBondContact O-N 3.18Å; R51-L53 VanDerWaalsContact C-N 3.33Å; R51-L53 PolarHBondContact O-N 3.02Å; L53-W55 VanDerWaalsContact C-N 3.33Å; L53-W55 PolarHBondContact O-N 3.34Å; L53-Q56 PolarHBondContact O-N 3.41Å; L53-L57 HydrophobicContact CD1-CD1 4.17Å; L53-L57 HydrophobicContact CD1-CG 4.4Å; L53-L57 HydrophobicContact CG-CD1 4.02Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 2.84Å
54V93.8Very high93.2Very high34 Ų3469.4 Ų69.421%0.20640%0.395CS..Hα-helixtrans-65-37.9-176.2175.80000111.4V42 I46 V50 R51 L57 L58V42-V54 HydrophobicContact CG2-CG1 4.46Å; I46-V54 HydrophobicContact CD1-CB 4.21Å; I46-V54 HydrophobicContact CD1-CG1 3.51Å; I46-V54 HydrophobicContact CG1-CG1 4.13Å; I46-V54 HydrophobicContact CG2-CB 4.11Å; I46-V54 HydrophobicContact CG2-CG1 4.37Å; I46-V54 HydrophobicContact CG2-CG2 4.13Å; V50-V54 HydrophobicContact CB-CG2 4.43Å; V50-V54 HydrophobicContact CG2-CG2 4.39Å; V50-V54 WeakPolarHBondContact O-CG2 3.37Å; V50-V54 PolarHBondContact O-N 3.31Å; R51-V54 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.4Å; V54-L58 HydrophobicContact CG1-CD1 3.78Å; V54-L58 HydrophobicContact CG1-CG 4.07Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.97Å
55W95Very high93.3Very high82 Ų8266.1 Ų66.131%0.31138%0.382SS..Hα-helixtrans-67.9-40.2178.4-71.88000112.3R51 L53 L58 S59 L135 L138 M139R51-W55 VanDerWaalsContact O-CB 3.29Å; R51-W55 WeakPolarHBondContact O-CB 3.27Å; R51-W55 VanDerWaalsContact O-CG 3.23Å; R51-W55 PolarHBondContact O-N 3.33Å; L53-W55 VanDerWaalsContact C-N 3.33Å; L53-W55 PolarHBondContact O-N 3.34Å; W55-L58 PolarHBondContact O-N 2.94Å; W55-S59 WeakPolarHBondContact O-CB 3.19Å; W55-S59 PolarHBondContact O-N 2.88Å; W55-S59 PolarHBondContact O-OG 3.41Å; W55-L135 HydrophobicContact CE3-CD2 3.94Å; W55-L135 HydrophobicContact CZ3-CD2 4.11Å; W55-L138 HydrophobicContact CD2-CD1 4.23Å; W55-L138 HydrophobicContact CE3-CD1 3.6Å; W55-L138 HydrophobicContact CH2-CD1 3.63Å; W55-L138 HydrophobicContact CZ2-CD1 4.24Å; W55-L138 HydrophobicContact CZ3-CD1 3.27Å; W55-M139 HydrophobicContact CE3-CE 4.47Å
56Q94.6Very high93.4Very high27 Ų2764 Ų6413%0.12636%0.36CS..Hα-helixtrans-60-47.2173.3-71.5177.659.400110.9A52 L53 S59 S60 A61 H63 M139 E143 V147A52-Q56 VanDerWaalsContact O-CG 3.3Å; A52-Q56 WeakPolarHBondContact O-CG 3.18Å; A52-Q56 PolarHBondContact O-N 3.49Å; A52-Q56 PolarHBondContact O-NE2 3.34Å; L53-Q56 PolarHBondContact O-N 3.41Å; Q56-S59 PolarHBondContact O-N 2.8Å; Q56-S59 PolarHBondContact O-OG 3.14Å; Q56-S60 PolarHBondContact O-N 2.95Å; Q56-A61 PolarHBondContact O-N 3.32Å; Q56-H63 PolarHBondContact OE1-CE1 2.98Å; Q56-H63 PolarHBondContact OE1-NE2 3.24Å; Q56-M139 HydrophobicContact CG-CE 4.49Å; Q56-M139 HydrophobicContact CG-SD 4.18Å; Q56-E143 PolarHBondContact NE2-OE2 3Å; Q56-E143 PolarHBondContact OE1-OE2 3.18Å; Q56-V147 HydrophobicContact CB-CG2 4.4Å; Q56-V147 HydrophobicContact CG-CG2 3.68Å
57L92.5Very high93.5Very high118 Ų11867.5 Ų67.562%0.61837%0.372SS*.Hα-helixtrans-61.7-49.3177-71171.4000112.7L53 V54 S59 S60L53-L57 HydrophobicContact CD1-CD1 4.17Å; L53-L57 HydrophobicContact CD1-CG 4.4Å; L53-L57 HydrophobicContact CG-CD1 4.02Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 2.84Å; V54-L57 PolarHBondContact O-N 3.4Å; L57-S59 VanDerWaalsContact C-N 3.26Å; L57-S59 PolarHBondContact O-N 3.49Å; L57-S60 PolarHBondContact O-N 3.39Å; L57-S60 VanDerWaalsContact O-N 3.09Å
58L92.1Very high93.7Very high68 Ų6867.8 Ų67.836%0.35638%0.375SS..Hα-helixtrans-60.8-37.7-179.9-75.3174.8000111.9V42 I46 V54 W55 S60 Y155V42-L58 HydrophobicContact CG1-CD1 4.16Å; V42-L58 HydrophobicContact CG2-CD1 4.16Å; I46-L58 HydrophobicContact CD1-CD1 4.33Å; V54-L58 HydrophobicContact CG1-CD1 3.78Å; V54-L58 HydrophobicContact CG1-CG 4.07Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.97Å; W55-L58 PolarHBondContact O-N 2.94Å; L58-S60 PolarHBondContact O-N 3.27Å; L58-Y155 PolarHBondContact O-OH 3.02Å
59S93.3Very high94Very high5 Ų567.7 Ų67.74%0.03537%0.366CS..Hα-helixtrans-74.3-12178.971.70000114.2W55 Q56 L57 A61 K150W55-S59 WeakPolarHBondContact O-CB 3.19Å; W55-S59 PolarHBondContact O-N 2.88Å; W55-S59 PolarHBondContact O-OG 3.41Å; Q56-S59 PolarHBondContact O-N 2.8Å; Q56-S59 PolarHBondContact O-OG 3.14Å; L57-S59 VanDerWaalsContact C-N 3.26Å; L57-S59 PolarHBondContact O-N 3.49Å; S59-A61 VanDerWaalsContact C-N 3.26Å; S59-A61 PolarHBondContact O-N 3.4Å; S59-A61 WeakPolarHBondContact OG-CB 3.48Å; S59-A61 PolarHBondContact OG-N 3.31Å; S59-K150 WeakPolarHBondContact O-CD 3.44Å; S59-K150 VanDerWaalsContact O-CG 3.29Å; S59-K150 WeakPolarHBondContact O-CG 3.21Å
60S92.9Very high94.2Very high90 Ų9061.8 Ų61.863%0.62933%0.327SS*.THydrogen-bonded Turntrans51.843.3-169.9-54.10000112.6Q56 L57 L58 D62 K150Q56-S60 PolarHBondContact O-N 2.95Å; L57-S60 PolarHBondContact O-N 3.39Å; L57-S60 VanDerWaalsContact O-N 3.09Å; L58-S60 PolarHBondContact O-N 3.27Å; S60-D62 PolarHBondContact O-N 3.4Å; S60-K150 WeakPolarHBondContact O-CE 3.08Å
61A92.3Very high94.4Very high14 Ų1460.8 Ų60.812%0.11633%0.325CS..  trans-61.5125.4-174.700000112.5Q56 S59 H63 A146 V147 K150Q56-A61 PolarHBondContact O-N 3.32Å; S59-A61 VanDerWaalsContact C-N 3.26Å; S59-A61 PolarHBondContact O-N 3.4Å; S59-A61 WeakPolarHBondContact OG-CB 3.48Å; S59-A61 PolarHBondContact OG-N 3.31Å; A61-H63 PolarHBondContact O-CD2 2.54Å; A61-H63 VanDerWaalsContact O-CD2 3.31Å; A61-H63 PolarHBondContact O-N 2.88Å; A61-A146 HydrophobicContact CB-CB 4.07Å; A61-V147 HydrophobicContact CB-CG2 4.23Å; A61-K150 HydrophobicContact CB-CG 4.45Å
62D91.8Very high94.5Very high86 Ų8661.7 Ų61.746%0.4633%0.334SS..  trans-84.491.1170.9-178.1-10.6000109.1S60 D64 N65 A66S60-D62 PolarHBondContact O-N 3.4Å; D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 3.27Å; D62-D64 PolarHBondContact OD1-N 3.35Å; D62-N65 HydrophobicContact CB-CB 4.41Å; D62-N65 PolarHBondContact OD1-N 3.33Å; D62-N65 VanDerWaalsContact OD1-N 3.09Å; D62-N65 VanDerWaalsContact OD2-CB 3.29Å; D62-N65 WeakPolarHBondContact OD2-CB 3.3Å; D62-A66 WeakPolarHBondContact O-CB 3.3Å; D62-A66 PolarHBondContact O-N 3.09Å; D62-A66 VanDerWaalsContact O-N 3.1Å
63H92.6Very high94.7Very high47 Ų4761.8 Ų61.822%0.21833%0.33CS..Hα-helixtrans-67.4-32-175.9-64.8-70.4000113.1Q56 A61 R67Q56-H63 PolarHBondContact OE1-CE1 2.98Å; Q56-H63 PolarHBondContact OE1-NE2 3.24Å; A61-H63 PolarHBondContact O-CD2 2.54Å; A61-H63 VanDerWaalsContact O-CD2 3.31Å; A61-H63 PolarHBondContact O-N 2.88Å; H63-R67 VanDerWaalsContact O-CB 3.3Å; H63-R67 WeakPolarHBondContact O-CB 3.27Å; H63-R67 WeakPolarHBondContact O-CG 3.1Å; H63-R67 PolarHBondContact O-N 3.13Å
64D93.6Very high94.9Very high115 Ų11558.8 Ų58.862%0.61531%0.314SS*.Hα-helixtrans-74.2-46.3-175-70.2-24.6000110.7D62 R67 C68D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 3.27Å; D62-D64 PolarHBondContact OD1-N 3.35Å; D64-R67 PolarHBondContact O-N 3.18Å; D64-R67 IonicContact OD1-NH1 3.77Å; D64-C68 PolarHBondContact O-N 3.21Å; D64-C68 PolarHBondContact O-SG 2.83Å
65N95.4Very high95Very high79 Ų7967.5 Ų67.542%0.42234%0.343SS..Hα-helixtrans-63.4-45.7173.9-177.550.4000111.5D62 R67 C68 L69D62-N65 HydrophobicContact CB-CB 4.41Å; D62-N65 PolarHBondContact OD1-N 3.33Å; D62-N65 VanDerWaalsContact OD1-N 3.09Å; D62-N65 VanDerWaalsContact OD2-CB 3.29Å; D62-N65 WeakPolarHBondContact OD2-CB 3.3Å; N65-R67 VanDerWaalsContact C-N 3.34Å; N65-R67 PolarHBondContact O-N 3Å; N65-C68 PolarHBondContact O-N 3.13Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.38Å
66A95.8Very high95.2Very high2 Ų265.6 Ų65.62%0.01735%0.345CS..Hα-helixtrans-60.8-41.1-18000000112.4D62 L69 Y70 F145 A146 L149D62-A66 WeakPolarHBondContact O-CB 3.3Å; D62-A66 PolarHBondContact O-N 3.09Å; D62-A66 VanDerWaalsContact O-N 3.1Å; A66-L69 PolarHBondContact O-N 2.98Å; A66-Y70 WeakPolarHBondContact O-CB 3.38Å; A66-Y70 PolarHBondContact O-N 3.3Å; A66-F145 HydrophobicContact CB-CD1 4.2Å; A66-A146 HydrophobicContact CB-CB 3.43Å; A66-A146 VanDerWaalsContact CB-CB 3.43Å; A66-L149 HydrophobicContact CB-CD1 4.4Å
67R95.5Very high95.3Very high98 Ų9869 Ų6937%0.3737%0.372SS..Hα-helixtrans-60.9-44.1175.4-81.2179.7-177.81314.2112.6H63 D64 N65 Y70 A71 E142H63-R67 VanDerWaalsContact O-CB 3.3Å; H63-R67 WeakPolarHBondContact O-CB 3.27Å; H63-R67 WeakPolarHBondContact O-CG 3.1Å; H63-R67 PolarHBondContact O-N 3.13Å; D64-R67 PolarHBondContact O-N 3.18Å; D64-R67 IonicContact OD1-NH1 3.77Å; N65-R67 VanDerWaalsContact C-N 3.34Å; N65-R67 PolarHBondContact O-N 3Å; R67-Y70 PolarHBondContact O-N 2.9Å; R67-A71 WeakPolarHBondContact O-CB 3.45Å; R67-A71 PolarHBondContact O-N 3.16Å; R67-E142 WeakPolarHBondContact CD-OE2 3.36Å; R67-E142 HydrophobicContact CG-CB 4.15Å; R67-E142 HydrophobicContact CG-CG 4.41Å; R67-E142 WeakPolarHBondContact CG-OE2 3.48Å; R67-E142 IonicContact NE-OE2 2.85Å; R67-E142 PolarHBondContact NE-OE2 3.42Å; R67-E142 VanDerWaalsContact NE-OE2 3.1Å
68C96.7Very high95.6Very high91 Ų9163.9 Ų63.962%0.61535%0.346SS*.Hα-helixtrans-60.9-50.1178.6-670000111.2D64 N65 Y70 A71 E72D64-C68 PolarHBondContact O-N 3.21Å; D64-C68 PolarHBondContact O-SG 2.83Å; N65-C68 PolarHBondContact O-N 3.13Å; C68-Y70 PolarHBondContact O-N 3.44Å; C68-A71 PolarHBondContact O-N 3.18Å; C68-E72 PolarHBondContact O-N 3.24Å
69L97.7Very high95.9Very high34 Ų3466.1 Ų66.118%0.17837%0.365CS..Hα-helixtrans-61.5-43.5177.4-70.6170.8000111.9N65 A66 A71 E72 F73 Y118 F145 L149N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.38Å; A66-L69 PolarHBondContact O-N 2.98Å; L69-A71 PolarHBondContact O-N 3.39Å; L69-E72 WeakPolarHBondContact O-CB 3.28Å; L69-E72 PolarHBondContact O-N 3.03Å; L69-F73 HydrophobicContact CB-CD2 4.24Å; L69-F73 HydrophobicContact CB-CE2 3.89Å; L69-F73 HydrophobicContact CD2-CE2 4.11Å; L69-F73 HydrophobicContact CD2-CZ 4.24Å; L69-F73 WeakPolarHBondContact O-CD2 3.46Å; L69-F73 WeakPolarHBondContact O-CG 3.5Å; L69-F73 PolarHBondContact O-N 3.35Å; L69-Y118 HydrophobicContact CD1-CD2 4.01Å; L69-Y118 HydrophobicContact CD1-CE2 3.71Å; L69-F145 HydrophobicContact CB-CE1 4.17Å; L69-L149 HydrophobicContact CD1-CD1 4.41Å
70Y98.2Very high96.1Very high4 Ų468.6 Ų68.62%0.01638%0.375CS..Hα-helixtrans-60.8-46.3179.9-169.7-101.8000112.1A66 R67 C68 E72 F73 I74 N110 V111 A114 E141 E142 F145A66-Y70 WeakPolarHBondContact O-CB 3.38Å; A66-Y70 PolarHBondContact O-N 3.3Å; R67-Y70 PolarHBondContact O-N 2.9Å; C68-Y70 PolarHBondContact O-N 3.44Å; Y70-E72 PolarHBondContact O-N 3.33Å; Y70-F73 PolarHBondContact O-N 2.87Å; Y70-I74 HydrophobicContact CE1-CD1 4.15Å; Y70-I74 WeakPolarHBondContact O-CB 3.36Å; Y70-I74 PolarHBondContact O-N 3.24Å; Y70-N110 VanDerWaalsContact OH-CB 3.27Å; Y70-N110 WeakPolarHBondContact OH-CB 3.39Å; Y70-V111 HydrophobicContact CE2-CG2 4.05Å; Y70-A114 HydrophobicContact CD2-CB 3.66Å; Y70-A114 HydrophobicContact CE2-CB 3.77Å; Y70-E141 HydrophobicContact CE1-CG 3.8Å; Y70-E141 WeakPolarHBondContact OH-CB 3.37Å; Y70-E141 VanDerWaalsContact OH-CG 3.29Å; Y70-E141 WeakPolarHBondContact OH-CG 3.35Å; Y70-E141 PolarHBondContact OH-OE1 2.97Å; Y70-E141 PolarHBondContact OH-OE2 3.47Å; Y70-E141 VanDerWaalsContact OH-OE2 3.06Å; Y70-E142 HydrophobicContact CD1-CG 3.95Å; Y70-E142 HydrophobicContact CE1-CG 4.29Å; Y70-F145 HydrophobicContact CD2-CB 3.79Å; Y70-F145 AromaticContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD2 4.07Å; Y70-F145 HydrophobicContact CD2-CE1 4.24Å; Y70-F145 AromaticContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CE2-CB 4.11Å; Y70-F145 HydrophobicContact CE2-CG 4.22Å; Y70-F145 HydrophobicContact CG-CD1 4.17Å; Y70-F145 HydrophobicContact CG-CG 4.45Å
71A97.5Very high96.4Very high43 Ų4366 Ų6636%0.35535%0.354SS..Hα-helixtrans-62-30.5178.200000112.9R67 C68 L69R67-A71 WeakPolarHBondContact O-CB 3.45Å; R67-A71 PolarHBondContact O-N 3.16Å; C68-A71 PolarHBondContact O-N 3.18Å; L69-A71 PolarHBondContact O-N 3.39Å
72E97.3Very high96.6Very high126 Ų12674 Ų7459%0.58939%0.386SS*.Hα-helixtrans-72.1-55.4171.7-174.4-176.6159.600111.2C68 L69 Y70 I74 R75C68-E72 PolarHBondContact O-N 3.24Å; L69-E72 WeakPolarHBondContact O-CB 3.28Å; L69-E72 PolarHBondContact O-N 3.03Å; Y70-E72 PolarHBondContact O-N 3.33Å; E72-I74 VanDerWaalsContact C-N 3.32Å; E72-I74 PolarHBondContact O-N 3.1Å; E72-R75 PolarHBondContact O-N 2.94Å; E72-R75 VanDerWaalsContact O-N 3.13Å
73F98Very high96.9Very high25 Ų2571.1 Ų71.111%0.1137%0.373CS..Hα-helixtrans-68.3-28.4-172.5-64.1-45000114.1L69 Y70 R75 A76 A114 L117 Y118 F145L69-F73 HydrophobicContact CB-CD2 4.24Å; L69-F73 HydrophobicContact CB-CE2 3.89Å; L69-F73 HydrophobicContact CD2-CE2 4.11Å; L69-F73 HydrophobicContact CD2-CZ 4.24Å; L69-F73 WeakPolarHBondContact O-CD2 3.46Å; L69-F73 WeakPolarHBondContact O-CG 3.5Å; L69-F73 PolarHBondContact O-N 3.35Å; Y70-F73 PolarHBondContact O-N 2.87Å; F73-R75 PolarHBondContact O-N 2.97Å; F73-A76 PolarHBondContact O-N 3.46Å; F73-A76 VanDerWaalsContact O-N 3.13Å; F73-A114 HydrophobicContact CB-CB 3.89Å; F73-A114 HydrophobicContact CD2-CB 4.48Å; F73-L117 HydrophobicContact CB-CB 4.31Å; F73-L117 HydrophobicContact CB-CD1 3.98Å; F73-L117 HydrophobicContact CD1-CB 3.52Å; F73-L117 HydrophobicContact CD1-CD1 4.13Å; F73-L117 HydrophobicContact CD1-CG 4.47Å; F73-L117 HydrophobicContact CE1-CB 3.93Å; F73-L117 HydrophobicContact CG-CB 3.93Å; F73-L117 HydrophobicContact CG-CD1 4.39Å; F73-Y118 AromaticContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CG 4.3Å; F73-Y118 HydrophobicContact CZ-CD2 4.28Å; F73-F145 HydrophobicContact CD2-CZ 4.18Å; F73-F145 HydrophobicContact CE2-CZ 4.45Å
74I96.5Very high97.2Very high46 Ų4668.9 Ų68.924%0.23636%0.363CS..THydrogen-bonded Turntrans-62-25.7176.5-154.776000112Y70 E72 N110 K113Y70-I74 HydrophobicContact CE1-CD1 4.15Å; Y70-I74 WeakPolarHBondContact O-CB 3.36Å; Y70-I74 PolarHBondContact O-N 3.24Å; E72-I74 VanDerWaalsContact C-N 3.32Å; E72-I74 PolarHBondContact O-N 3.1Å; I74-N110 HydrophobicContact CD1-CB 3.36Å; I74-K113 PolarHBondContact O-NZ 3.17Å
75R96.7Very high97.3Very high218 Ų21869.4 Ų69.482%0.82336%0.356SS*.THydrogen-bonded Turntrans-89-18.6179-60.7175.5-176.8169.52.7113E72 F73E72-R75 PolarHBondContact O-N 2.94Å; E72-R75 VanDerWaalsContact O-N 3.13Å; F73-R75 PolarHBondContact O-N 2.97Å
76A97.6Very high97.4Very high41 Ų4172.4 Ų72.434%0.33936%0.362SS..SBendtrans-85.2157.9179.300000112.3F73 K113 L117F73-A76 PolarHBondContact O-N 3.46Å; F73-A76 VanDerWaalsContact O-N 3.13Å; A76-K113 WeakPolarHBondContact O-CE 3.46Å; A76-K113 PolarHBondContact O-NZ 3.36Å; A76-L117 HydrophobicContact CB-CD1 3.74Å
77S97.7Very high97.4Very high99 Ų9972.6 Ų72.669%0.69236%0.363SS*.  trans-92137.9172.760.40000111E81S77-E81 WeakPolarHBondContact CA-OE1 3.4Å
78S98.2Very high97.5Very high10 Ų1068.3 Ų68.37%0.0735%0.347CS..  trans-106.5140.9173.7173.40000112H80 E81 S116S78-H80 PolarHBondContact O-N 3.25Å; S78-H80 VanDerWaalsContact O-N 3.14Å; S78-H80 PolarHBondContact OG-N 2.93Å; S78-H80 VanDerWaalsContact OG-N 3.1Å; S78-E81 PolarHBondContact N-OE1 3.45Å; S78-E81 WeakPolarHBondContact O-CG 3.49Å; S78-E81 PolarHBondContact O-N 3.46Å; S78-S116 WeakPolarHBondContact CB-OG 3.42Å; S78-S116 PolarHBondContact OG-OG 3.04Å
79P98Very high97.4Very high116 Ų11667.9 Ų67.975%0.75334%0.342SS*.THydrogen-bonded Turntrans-63.6-16.1171.127.9-34.2000112.5
80H98.2Very high97.2Very high56 Ų5672 Ų7226%0.25936%0.355SS..THydrogen-bonded Turntrans-91.7-4.1-176.6-59-73.9000114.4S78 K82 A83 I84 Y124S78-H80 PolarHBondContact O-N 3.25Å; S78-H80 VanDerWaalsContact O-N 3.14Å; S78-H80 PolarHBondContact OG-N 2.93Å; S78-H80 VanDerWaalsContact OG-N 3.1Å; H80-K82 PolarHBondContact O-N 3.45Å; H80-K82 VanDerWaalsContact O-N 3.09Å; H80-A83 WeakPolarHBondContact O-CB 3.41Å; H80-A83 PolarHBondContact O-N 2.85Å; H80-I84 HydrophobicContact CB-CD1 3.99Å; H80-I84 HydrophobicContact CB-CG1 4.32Å; H80-I84 WeakPolarHBondContact O-CG1 3.47Å; H80-I84 PolarHBondContact O-N 3.25Å; H80-Y124 HydrophobicContact CB-CG 4.44Å
81E98.4Very high97.1Very high37 Ų3771.9 Ų71.917%0.17336%0.355CS..Hα-helixtrans-54.6-37-172.3-72.2-175.5-157.300114S77 S78 I84 R85 F109 K113S77-E81 WeakPolarHBondContact CA-OE1 3.4Å; S78-E81 PolarHBondContact N-OE1 3.45Å; S78-E81 WeakPolarHBondContact O-CG 3.49Å; S78-E81 PolarHBondContact O-N 3.46Å; E81-I84 PolarHBondContact O-N 3.47Å; E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 WeakPolarHBondContact O-CG 3.46Å; E81-R85 PolarHBondContact O-N 3.22Å; E81-R85 IonicContact OE2-CZ 2.92Å; E81-R85 IonicContact OE2-NH2 3.77Å; E81-R85 PolarHBondContact OE2-NH2 3.33Å; E81-F109 HydrophobicContact CB-CE2 4.01Å; E81-F109 HydrophobicContact CB-CZ 3.99Å; E81-F109 HydrophobicContact CG-CE2 4.11Å; E81-F109 HydrophobicContact CG-CZ 3.67Å; E81-K113 HydrophobicContact CG-CD 4.06Å; E81-K113 HydrophobicContact CG-CG 4.28Å; E81-K113 WeakPolarHBondContact OE1-CD 3.43Å
82K97.9Very high97Very high181 Ų18172.4 Ų72.479%0.78735%0.349SS*.Hα-helixtrans-65.3-41.9177.5-174.1177.8179.8179.50112H80 R86H80-K82 PolarHBondContact O-N 3.45Å; H80-K82 VanDerWaalsContact O-N 3.09Å; K82-R86 PolarHBondContact O-N 3.38Å
83A97.7Very high96.9Very high25 Ų2569.9 Ų69.921%0.20734%0.344CS..Hα-helixtrans-68.3-42.9177.200000110.9H80 R86 D87 Y124H80-A83 WeakPolarHBondContact O-CB 3.41Å; H80-A83 PolarHBondContact O-N 2.85Å; A83-R86 PolarHBondContact O-N 3.09Å; A83-D87 PolarHBondContact O-N 3.21Å; A83-Y124 HydrophobicContact CB-CD1 3.76Å; A83-Y124 HydrophobicContact CB-CE1 4.11Å
84I98.2Very high96.6Very high0 Ų076.4 Ų76.40%038%0.38CS..Hα-helixtrans-58.7-52.6176.7-62.5163.8000110.4H80 E81 R86 D87 V88 F109 M112 K113 Y124H80-I84 HydrophobicContact CB-CD1 3.99Å; H80-I84 HydrophobicContact CB-CG1 4.32Å; H80-I84 WeakPolarHBondContact O-CG1 3.47Å; H80-I84 PolarHBondContact O-N 3.25Å; E81-I84 PolarHBondContact O-N 3.47Å; I84-R86 VanDerWaalsContact C-N 3.25Å; I84-R86 PolarHBondContact O-N 3.12Å; I84-D87 PolarHBondContact O-N 2.96Å; I84-V88 HydrophobicContact CG2-CG2 3.96Å; I84-V88 VanDerWaalsContact O-CG2 3.27Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 3.1Å; I84-F109 HydrophobicContact CB-CD2 4.18Å; I84-F109 HydrophobicContact CB-CE2 4.28Å; I84-F109 HydrophobicContact CG2-CD2 3.58Å; I84-F109 HydrophobicContact CG2-CE2 4.13Å; I84-F109 HydrophobicContact CG2-CG 4.37Å; I84-M112 HydrophobicContact CD1-CB 4.23Å; I84-M112 HydrophobicContact CG1-CB 4.22Å; I84-M112 HydrophobicContact CG2-CB 3.66Å; I84-M112 HydrophobicContact CG2-CG 4.4Å; I84-K113 HydrophobicContact CD1-CB 4.35Å; I84-Y124 HydrophobicContact CB-CD2 4.45Å; I84-Y124 HydrophobicContact CB-CE2 4.39Å; I84-Y124 HydrophobicContact CD1-CD2 4.21Å; I84-Y124 HydrophobicContact CD1-CG 4.48Å; I84-Y124 HydrophobicContact CG1-CD1 4.22Å; I84-Y124 HydrophobicContact CG1-CD2 3.36Å; I84-Y124 HydrophobicContact CG1-CE2 3.74Å; I84-Y124 HydrophobicContact CG1-CG 3.63Å
85R96.7Very high96.6Very high126 Ų12678.3 Ų78.348%0.47539%0.388SS..Hα-helixtrans-55.3-40.7-179.5-78.7-171.9-118.7-80.5-0.4112.7E81 D87 T89 F109E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 WeakPolarHBondContact O-CG 3.46Å; E81-R85 PolarHBondContact O-N 3.22Å; E81-R85 IonicContact OE2-CZ 2.92Å; E81-R85 IonicContact OE2-NH2 3.77Å; E81-R85 PolarHBondContact OE2-NH2 3.33Å; R85-D87 VanDerWaalsContact C-N 3.34Å; R85-D87 PolarHBondContact O-N 3.1Å; R85-T89 PolarHBondContact O-N 3.28Å; R85-F109 HydrophobicContact CG-CD2 3.69Å; R85-F109 HydrophobicContact CG-CE2 3.61Å; R85-F109 VanDerWaalsContact NH1-CE2 3.32Å
86R96.5Very high96.5Very high142 Ų14276 Ų7654%0.53638%0.384SS..Hα-helixtrans-64-38.7178.9-179179.457.4-158.5-5.5112.3K82 A83 I84 T89 R90K82-R86 PolarHBondContact O-N 3.38Å; A83-R86 PolarHBondContact O-N 3.09Å; I84-R86 VanDerWaalsContact C-N 3.25Å; I84-R86 PolarHBondContact O-N 3.12Å; R86-T89 PolarHBondContact O-OG1 3.48Å; R86-R90 PolarHBondContact O-NE 3.48Å
87D96.6Very high96.3Very high7 Ų777.6 Ų77.64%0.03738%0.383CS..Hα-helixtrans-81.6-32.3-179-76.913.1000112.5A83 I84 R85 T89 R90 T91 Y124 Q126 A129A83-D87 PolarHBondContact O-N 3.21Å; I84-D87 PolarHBondContact O-N 2.96Å; R85-D87 VanDerWaalsContact C-N 3.34Å; R85-D87 PolarHBondContact O-N 3.1Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 2.78Å; D87-R90 CarbonylContact O-C 3.46Å; D87-R90 WeakPolarHBondContact O-CA 3.49Å; D87-R90 PolarHBondContact O-N 3.49Å; D87-R90 IonicContact OD1-CZ 2.81Å; D87-R90 IonicContact OD1-NE 3.1Å; D87-R90 IonicContact OD1-NH2 3.72Å; D87-R90 PolarHBondContact OD1-NH2 3Å; D87-T91 PolarHBondContact O-N 2.88Å; D87-T91 PolarHBondContact O-OG1 3.42Å; D87-Y124 HydrophobicContact CB-CE1 4.48Å; D87-Y124 WeakPolarHBondContact CB-OH 3.22Å; D87-Y124 WeakPolarHBondContact OD2-CE1 3.34Å; D87-Y124 PolarHBondContact OD2-OH 3.48Å; D87-Q126 WeakPolarHBondContact OD2-CA 3.49Å; D87-Q126 WeakPolarHBondContact OD2-CG 3.45Å; D87-A129 HydrophobicContact CB-CB 4.47Å
88V96.5Very high96.2Very high7 Ų773 Ų734%0.04235%0.351CS..Hα-helixtrans-52.2-46.9173.3166.50000110.7I84 R90 T91 Q105 L108 F109I84-V88 HydrophobicContact CG2-CG2 3.96Å; I84-V88 VanDerWaalsContact O-CG2 3.27Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 3.1Å; V88-R90 PolarHBondContact O-N 3.09Å; V88-R90 VanDerWaalsContact O-N 3.08Å; V88-T91 PolarHBondContact O-N 2.85Å; V88-T91 VanDerWaalsContact O-N 3.17Å; V88-Q105 HydrophobicContact CG1-CB 3.53Å; V88-Q105 HydrophobicContact CG1-CG 3.86Å; V88-Q105 WeakPolarHBondContact CG1-O 3.29Å; V88-L108 HydrophobicContact CB-CD2 4.44Å; V88-L108 HydrophobicContact CG1-CD2 4.4Å; V88-L108 HydrophobicContact CG2-CB 4.45Å; V88-L108 HydrophobicContact CG2-CD2 4.09Å; V88-L108 HydrophobicContact CG2-CG 3.99Å; V88-F109 HydrophobicContact CG2-CB 4.16Å
89T94.5Very high95.7Very high83 Ų8375.3 Ų75.351%0.50936%0.362SS..THydrogen-bonded Turntrans-64.1-14.8178.562.30000114.6R85 R86 D87R85-T89 PolarHBondContact O-N 3.28Å; R86-T89 PolarHBondContact O-OG1 3.48Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 2.78Å
90R95.2Very high94.7Very high120 Ų12079 Ų7945%0.45337%0.369SS..THydrogen-bonded Turntrans-111.71.6-178.4-57.7-174.4-67.2157.21112.7R86 D87 V88 F130R86-R90 PolarHBondContact O-NE 3.48Å; D87-R90 CarbonylContact O-C 3.46Å; D87-R90 WeakPolarHBondContact O-CA 3.49Å; D87-R90 PolarHBondContact O-N 3.49Å; D87-R90 IonicContact OD1-CZ 2.81Å; D87-R90 IonicContact OD1-NE 3.1Å; D87-R90 IonicContact OD1-NH2 3.72Å; D87-R90 PolarHBondContact OD1-NH2 3Å; V88-R90 PolarHBondContact O-N 3.09Å; V88-R90 VanDerWaalsContact O-N 3.08Å; R90-F130 WeakPolarHBondContact O-CZ 3.46Å
91T95.7Very high93.9Very high2 Ų280.7 Ų80.71%0.01239%0.387CS..SBendtrans-97.6110.8-176.5-58.70000109.3D87 V88 L108 A129 F130D87-T91 PolarHBondContact O-N 2.88Å; D87-T91 PolarHBondContact O-OG1 3.42Å; V88-T91 PolarHBondContact O-N 2.85Å; V88-T91 VanDerWaalsContact O-N 3.17Å; T91-L108 HydrophobicContact CG2-CD2 3.73Å; T91-A129 HydrophobicContact CG2-CB 4.4Å; T91-F130 HydrophobicContact CG2-CD1 3.94Å; T91-F130 HydrophobicContact CG2-CE1 4.16Å; T91-F130 HydrophobicContact CG2-CG 4.13Å
92F95.5Very high93.4Very high53 Ų5380.1 Ų80.123%0.23239%0.391CS..SBendtrans49.451.7-175.6-53.8-61000114D94 H95 F98 F130 M134F92-D94 PolarHBondContact O-N 3.14Å; F92-D94 VanDerWaalsContact O-N 3.13Å; F92-H95 HydrophobicContact CB-CB 3.93Å; F92-H95 WeakPolarHBondContact O-CB 3.42Å; F92-H95 PolarHBondContact O-N 3.13Å; F92-F98 HydrophobicContact CB-CD2 3.65Å; F92-F98 HydrophobicContact CB-CE2 4.09Å; F92-F98 HydrophobicContact CB-CG 4.48Å; F92-F98 HydrophobicContact CD2-CD2 4.12Å; F92-F98 AromaticContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CZ 4.4Å; F92-F98 HydrophobicContact CG-CD2 4.33Å; F92-F98 HydrophobicContact CG-CE2 4.29Å; F92-F130 HydrophobicContact CD1-CD1 4.32Å; F92-F130 HydrophobicContact CD1-CE1 4.39Å; F92-F130 HydrophobicContact CD2-CD1 4.47Å; F92-F130 AromaticContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CE1 4.31Å; F92-F130 HydrophobicContact CE2-CD1 4.02Å; F92-F130 HydrophobicContact CZ-CB 4.46Å; F92-F130 AromaticContact CZ-CD1 3.7Å; F92-F130 HydrophobicContact CZ-CD1 3.7Å; F92-M134 HydrophobicContact CE1-SD 4.34Å; F92-M134 HydrophobicContact CE2-CG 4.17Å; F92-M134 HydrophobicContact CE2-SD 4.29Å; F92-M134 HydrophobicContact CZ-CG 3.77Å; F92-M134 HydrophobicContact CZ-SD 3.69Å
93P93.5Very high93.2Very high74 Ų7480.9 Ų80.948%0.48139%0.389SS..THydrogen-bonded Turntrans-61-29-170.827.1-35.9000113.6
94D93.4Very high93.1Very high162 Ų16279.7 Ų79.787%0.86638%0.38SS*.THydrogen-bonded Turntrans-88.1-5.8-179.2-53-53000113.2F92F92-D94 PolarHBondContact O-N 3.14Å; F92-D94 VanDerWaalsContact O-N 3.13Å
95H95.4Very high93Very high86 Ų8682 Ų8240%0.39839%0.39SS..SBendtrans-85.3123.1-178.6-170.9-76.4000110.3F92 F97 F98 L137F92-H95 HydrophobicContact CB-CB 3.93Å; F92-H95 WeakPolarHBondContact O-CB 3.42Å; F92-H95 PolarHBondContact O-N 3.13Å; H95-F97 WeakPolarHBondContact ND1-CB 3.18Å; H95-F97 PolarHBondContact ND1-N 3.38Å; H95-F97 VanDerWaalsContact ND1-N 3.18Å; H95-F97 PolarHBondContact O-N 3.2Å; H95-F98 HydrophobicContact CB-CD2 4.21Å; H95-F98 PolarHBondContact O-N 3.06Å; H95-L137 WeakPolarHBondContact CE1-CD2 3.19Å; H95-L137 WeakPolarHBondContact ND1-CD2 3.3Å
96K93.9Very high93.1Very high170 Ų17081.3 Ų81.374%0.73939%0.392SS*.G310 helixtrans-48.5-36.5-175.5-173.1179.2179.5-178.10114.7F98 D99K96-F98 VanDerWaalsContact C-N 3.26Å; K96-F98 PolarHBondContact O-N 3.25Å; K96-D99 VanDerWaalsContact O-CB 3.27Å; K96-D99 WeakPolarHBondContact O-CB 3.45Å; K96-D99 PolarHBondContact O-N 3.45Å
97F95Very high93.1Very high74 Ų7475.5 Ų75.533%0.32537%0.373SS..G310 helixtrans-62.9-31.1177.9-178.1-104.5000113.8H95 G104 L136 L137H95-F97 WeakPolarHBondContact ND1-CB 3.18Å; H95-F97 PolarHBondContact ND1-N 3.38Å; H95-F97 VanDerWaalsContact ND1-N 3.18Å; H95-F97 PolarHBondContact O-N 3.2Å; F97-G104 VanDerWaalsContact O-CA 3.28Å; F97-G104 WeakPolarHBondContact O-CA 3.19Å; F97-G104 PolarHBondContact O-N 3.35Å; F97-L136 HydrophobicContact CE1-CB 4.04Å; F97-L137 HydrophobicContact CB-CD2 3.88Å; F97-L137 HydrophobicContact CD1-CD2 3.93Å; F97-L137 HydrophobicContact CG-CD2 4.13Å
98F94.9Very high93.2Very high2 Ų275.1 Ų75.11%0.00937%0.372CS..G310 helixtrans-101.120.8179.7-60-70.7000112.2F92 H95 K96 Q105 L108 G133 L136 L137F92-F98 HydrophobicContact CB-CD2 3.65Å; F92-F98 HydrophobicContact CB-CE2 4.09Å; F92-F98 HydrophobicContact CB-CG 4.48Å; F92-F98 HydrophobicContact CD2-CD2 4.12Å; F92-F98 AromaticContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CZ 4.4Å; F92-F98 HydrophobicContact CG-CD2 4.33Å; F92-F98 HydrophobicContact CG-CE2 4.29Å; H95-F98 HydrophobicContact CB-CD2 4.21Å; H95-F98 PolarHBondContact O-N 3.06Å; K96-F98 VanDerWaalsContact C-N 3.26Å; K96-F98 PolarHBondContact O-N 3.25Å; F98-Q105 HydrophobicContact CB-CG 4.43Å; F98-Q105 WeakPolarHBondContact O-CG 3.48Å; F98-Q105 PolarHBondContact O-NE2 2.94Å; F98-L108 HydrophobicContact CD1-CD2 4.48Å; F98-L108 HydrophobicContact CE1-CB 4.21Å; F98-L108 HydrophobicContact CE1-CD2 4.27Å; F98-G133 WeakPolarHBondContact CZ-O 3.29Å; F98-L136 HydrophobicContact CZ-CB 4.33Å; F98-L137 HydrophobicContact CD2-CD2 4.32Å; F98-L137 HydrophobicContact CE2-CD1 4.28Å; F98-L137 HydrophobicContact CE2-CD2 3.58Å; F98-L137 HydrophobicContact CE2-CG 3.82Å; F98-L137 HydrophobicContact CZ-CD2 4.21Å; F98-L137 HydrophobicContact CZ-CG 4.28Å
99D88.3Confident93.3Very high59 Ų5975.8 Ų75.832%0.31637%0.374SS..SBendtrans-66.617817874.18.9000112.9K96 S101 G102K96-D99 VanDerWaalsContact O-CB 3.27Å; K96-D99 WeakPolarHBondContact O-CB 3.45Å; K96-D99 PolarHBondContact O-N 3.45Å; D99-S101 PolarHBondContact O-N 3.43Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.06Å; D99-S101 PolarHBondContact OD1-N 2.86Å; D99-S101 PolarHBondContact OD1-OG 3.31Å; D99-G102 PolarHBondContact O-N 3.49Å; D99-G102 VanDerWaalsContact O-N 3.1Å
100E76.1Confident93.4Very high193 Ų19372.4 Ų72.490%0.90235%0.353SS*.THydrogen-bonded Turntrans-67.8-5.7-177.1-59.8-174.3165.900114.1G102E100-G102 PolarHBondContact O-N 3.29Å; E100-G102 VanDerWaalsContact O-N 3.12Å
101S81.8Confident93.6Very high91 Ų9166.7 Ų66.764%0.63633%0.331SS*.THydrogen-bonded Turntrans-60.7-19.1168.174.20000111.8D99 R103D99-S101 PolarHBondContact O-N 3.43Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.06Å; D99-S101 PolarHBondContact OD1-N 2.86Å; D99-S101 PolarHBondContact OD1-OG 3.31Å; S101-R103 PolarHBondContact O-N 2.97Å
102G87.1Confident93.7Very high25 Ų2566.7 Ų66.726%0.25833%0.331SS..  trans81.8-8.8168.100000114D99 E100 Q105 H106D99-G102 PolarHBondContact O-N 3.49Å; D99-G102 VanDerWaalsContact O-N 3.1Å; E100-G102 PolarHBondContact O-N 3.29Å; E100-G102 VanDerWaalsContact O-N 3.12Å; G102-Q105 PolarHBondContact O-N 3.43Å; G102-H106 WeakPolarHBondContact O-CB 3.12Å; G102-H106 PolarHBondContact O-N 3.29Å
103R93.8Very high93.9Very high197 Ų19765 Ų6574%0.74332%0.324SS*.Hα-helixtrans-63.4-54.2-177.2-174.1178.5177.9176.5-0.3112.2S101 Q105 H106 S107S101-R103 PolarHBondContact O-N 2.97Å; R103-Q105 VanDerWaalsContact C-N 3.34Å; R103-Q105 PolarHBondContact O-N 3.03Å; R103-H106 PolarHBondContact O-N 2.97Å; R103-S107 PolarHBondContact O-N 2.8Å
104G96.3Very high94.1Very high0 Ų061.5 Ų61.50%030%0.301CS..Hα-helixtrans-66-37.517900000112.4F97 H106 S107 L108F97-G104 VanDerWaalsContact O-CA 3.28Å; F97-G104 WeakPolarHBondContact O-CA 3.19Å; F97-G104 PolarHBondContact O-N 3.35Å; G104-H106 VanDerWaalsContact C-N 3.33Å; G104-H106 PolarHBondContact O-N 3.17Å; G104-S107 PolarHBondContact O-N 3.44Å; G104-L108 WeakPolarHBondContact O-CB 3.39Å; G104-L108 PolarHBondContact O-N 3.42Å
105Q97.1Very high94.4Very high48 Ų4854 Ų5422%0.22426%0.26CS..Hα-helixtrans-63.4-38.5174.5-68.9-167.813.500112.3V88 F98 G102 R103 L108 F109V88-Q105 HydrophobicContact CG1-CB 3.53Å; V88-Q105 HydrophobicContact CG1-CG 3.86Å; V88-Q105 WeakPolarHBondContact CG1-O 3.29Å; F98-Q105 HydrophobicContact CB-CG 4.43Å; F98-Q105 WeakPolarHBondContact O-CG 3.48Å; F98-Q105 PolarHBondContact O-NE2 2.94Å; G102-Q105 PolarHBondContact O-N 3.43Å; R103-Q105 VanDerWaalsContact C-N 3.34Å; R103-Q105 PolarHBondContact O-N 3.03Å; Q105-L108 PolarHBondContact O-N 3.47Å; Q105-F109 WeakPolarHBondContact O-CB 3.44Å; Q105-F109 PolarHBondContact O-N 3.25Å
106H97.3Very high94.5Very high112 Ų11250 Ų5052%0.51924%0.242SC..Hα-helixtrans-67.9-45.8176.7-171.7-83.6000111.4G102 R103 G104 L108 F109 N110G102-H106 WeakPolarHBondContact O-CB 3.12Å; G102-H106 PolarHBondContact O-N 3.29Å; R103-H106 PolarHBondContact O-N 2.97Å; G104-H106 VanDerWaalsContact C-N 3.33Å; G104-H106 PolarHBondContact O-N 3.17Å; H106-L108 VanDerWaalsContact C-N 3.31Å; H106-L108 PolarHBondContact O-N 3.18Å; H106-F109 PolarHBondContact O-N 3.45Å; H106-N110 PolarHBondContact CE1-ND2 2.92Å; H106-N110 VanDerWaalsContact CE1-ND2 3.25Å; H106-N110 PolarHBondContact CE1-OD1 3.32Å; H106-N110 PolarHBondContact ND1-ND2 3.09Å; H106-N110 VanDerWaalsContact ND1-ND2 3.2Å; H106-N110 VanDerWaalsContact O-CB 3.31Å; H106-N110 WeakPolarHBondContact O-CB 3.33Å; H106-N110 PolarHBondContact O-N 3.48Å; H106-N110 PolarHBondContact O-OD1 3.34Å
107S97.6Very high94.7Very high20 Ų2042.7 Ų42.714%0.1421%0.211CC..Hα-helixtrans-61.3-40.1173.8-70.80000111.9R103 G104 N110 V111 E141R103-S107 PolarHBondContact O-N 2.8Å; G104-S107 PolarHBondContact O-N 3.44Å; S107-N110 WeakPolarHBondContact O-CB 3.31Å; S107-N110 PolarHBondContact O-N 3.03Å; S107-V111 WeakPolarHBondContact O-CG2 3.31Å; S107-V111 PolarHBondContact O-N 3.19Å; S107-E141 PolarHBondContact OG-OE2 2.74Å
108L98Very high94.9Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-62.6-46.7175.2-179.159000111.9V88 T91 F98 G104 Q105 H106 N110 M112 A129 V132 L136V88-L108 HydrophobicContact CB-CD2 4.44Å; V88-L108 HydrophobicContact CG1-CD2 4.4Å; V88-L108 HydrophobicContact CG2-CB 4.45Å; V88-L108 HydrophobicContact CG2-CD2 4.09Å; V88-L108 HydrophobicContact CG2-CG 3.99Å; T91-L108 HydrophobicContact CG2-CD2 3.73Å; F98-L108 HydrophobicContact CD1-CD2 4.48Å; F98-L108 HydrophobicContact CE1-CB 4.21Å; F98-L108 HydrophobicContact CE1-CD2 4.27Å; G104-L108 WeakPolarHBondContact O-CB 3.39Å; G104-L108 PolarHBondContact O-N 3.42Å; Q105-L108 PolarHBondContact O-N 3.47Å; H106-L108 VanDerWaalsContact C-N 3.31Å; H106-L108 PolarHBondContact O-N 3.18Å; L108-N110 VanDerWaalsContact C-N 3.31Å; L108-N110 PolarHBondContact O-N 2.88Å; L108-M112 HydrophobicContact CD1-CG 4.19Å; L108-M112 WeakPolarHBondContact O-CB 3.4Å; L108-M112 WeakPolarHBondContact O-CG 3.47Å; L108-M112 PolarHBondContact O-N 3.34Å; L108-A129 HydrophobicContact CD1-CB 4.44Å; L108-A129 WeakPolarHBondContact CD1-O 3.42Å; L108-A129 HydrophobicContact CD2-CB 4.5Å; L108-V132 HydrophobicContact CD1-CB 3.7Å; L108-V132 HydrophobicContact CD1-CG1 3.55Å; L108-L136 VanDerWaalsContact CA-CD1 3.42Å; L108-L136 HydrophobicContact CB-CD1 3.86Å; L108-L136 HydrophobicContact CD1-CD1 4.11Å
109F97.9Very high95Very high20 Ų2043 Ų439%0.08821%0.212CC..Hα-helixtrans-57.4-46.1174.7173.6-94.6000111.4E81 I84 R85 V88 Q105 H106 K113E81-F109 HydrophobicContact CB-CE2 4.01Å; E81-F109 HydrophobicContact CB-CZ 3.99Å; E81-F109 HydrophobicContact CG-CE2 4.11Å; E81-F109 HydrophobicContact CG-CZ 3.67Å; I84-F109 HydrophobicContact CB-CD2 4.18Å; I84-F109 HydrophobicContact CB-CE2 4.28Å; I84-F109 HydrophobicContact CG2-CD2 3.58Å; I84-F109 HydrophobicContact CG2-CE2 4.13Å; I84-F109 HydrophobicContact CG2-CG 4.37Å; R85-F109 HydrophobicContact CG-CD2 3.69Å; R85-F109 HydrophobicContact CG-CE2 3.61Å; R85-F109 VanDerWaalsContact NH1-CE2 3.32Å; V88-F109 HydrophobicContact CG2-CB 4.16Å; Q105-F109 WeakPolarHBondContact O-CB 3.44Å; Q105-F109 PolarHBondContact O-N 3.25Å; H106-F109 PolarHBondContact O-N 3.45Å; F109-K113 HydrophobicContact CE1-CD 4.12Å; F109-K113 HydrophobicContact CZ-CD 4.22Å; F109-K113 VanDerWaalsContact O-CB 3.24Å; F109-K113 WeakPolarHBondContact O-CB 3.43Å; F109-K113 PolarHBondContact O-N 3.49Å
110N98.4Very high95.4Very high13 Ų1349.8 Ų49.87%0.0723%0.233CC..Hα-helixtrans-61.2-50.4-178.7-80.8-3.5000112.7Y70 I74 H106 S107 L108 K113 A114 E141Y70-N110 VanDerWaalsContact OH-CB 3.27Å; Y70-N110 WeakPolarHBondContact OH-CB 3.39Å; I74-N110 HydrophobicContact CD1-CB 3.36Å; H106-N110 PolarHBondContact CE1-ND2 2.92Å; H106-N110 VanDerWaalsContact CE1-ND2 3.25Å; H106-N110 PolarHBondContact CE1-OD1 3.32Å; H106-N110 PolarHBondContact ND1-ND2 3.09Å; H106-N110 VanDerWaalsContact ND1-ND2 3.2Å; H106-N110 VanDerWaalsContact O-CB 3.31Å; H106-N110 WeakPolarHBondContact O-CB 3.33Å; H106-N110 PolarHBondContact O-N 3.48Å; H106-N110 PolarHBondContact O-OD1 3.34Å; S107-N110 WeakPolarHBondContact O-CB 3.31Å; S107-N110 PolarHBondContact O-N 3.03Å; L108-N110 VanDerWaalsContact C-N 3.31Å; L108-N110 PolarHBondContact O-N 2.88Å; N110-K113 PolarHBondContact O-N 3.41Å; N110-A114 WeakPolarHBondContact O-CB 3.44Å; N110-A114 PolarHBondContact O-N 3.45Å; N110-E141 PolarHBondContact ND2-OE2 2.88Å
111V98.6Very high96.4Very high0 Ų045.7 Ų45.70%021%0.214CC..Hα-helixtrans-64.9-43.8179.61780000111.2Y70 S107 K113 A114 Y115 V132 L136 E141 F145 L148Y70-V111 HydrophobicContact CE2-CG2 4.05Å; S107-V111 WeakPolarHBondContact O-CG2 3.31Å; S107-V111 PolarHBondContact O-N 3.19Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 3.38Å; V111-A114 PolarHBondContact O-N 2.99Å; V111-Y115 WeakPolarHBondContact O-CB 3.33Å; V111-Y115 PolarHBondContact O-N 3.19Å; V111-V132 HydrophobicContact CB-CG1 3.67Å; V111-V132 HydrophobicContact CG1-CG1 3.45Å; V111-V132 VanDerWaalsContact CG1-CG1 3.45Å; V111-V132 HydrophobicContact CG1-CG2 4.27Å; V111-V132 HydrophobicContact CG2-CG1 4.48Å; V111-L136 HydrophobicContact CG2-CD2 4.28Å; V111-E141 HydrophobicContact CG2-CB 3.74Å; V111-E141 WeakPolarHBondContact CG2-O 3.16Å; V111-F145 HydrophobicContact CG1-CB 4.15Å; V111-F145 HydrophobicContact CG1-CD2 4.27Å; V111-L148 HydrophobicContact CG1-CD2 4.05Å
112M98.6Very high97.2Very high2 Ų241.8 Ų41.81%0.0119%0.186CC..Hα-helixtrans-63.7-38.7175.6-72.1-49.2-47.400112.4I84 L108 S116 Y124 S128 A129 V132I84-M112 HydrophobicContact CD1-CB 4.23Å; I84-M112 HydrophobicContact CG1-CB 4.22Å; I84-M112 HydrophobicContact CG2-CB 3.66Å; I84-M112 HydrophobicContact CG2-CG 4.4Å; L108-M112 HydrophobicContact CD1-CG 4.19Å; L108-M112 WeakPolarHBondContact O-CB 3.4Å; L108-M112 WeakPolarHBondContact O-CG 3.47Å; L108-M112 PolarHBondContact O-N 3.34Å; M112-S116 WeakPolarHBondContact O-CB 3.21Å; M112-S116 PolarHBondContact O-N 2.95Å; M112-Y124 HydrophobicContact CB-CD2 4.49Å; M112-Y124 HydrophobicContact CB-CE2 4.4Å; M112-Y124 HydrophobicContact CE-CD2 3.52Å; M112-Y124 HydrophobicContact CE-CE2 3.58Å; M112-Y124 HydrophobicContact CG-CE2 4.27Å; M112-S128 WeakPolarHBondContact CE-OG 3.47Å; M112-A129 HydrophobicContact CG-CB 4.36Å; M112-V132 HydrophobicContact CG-CG2 4.49Å; M112-V132 HydrophobicContact SD-CB 3.77Å; M112-V132 HydrophobicContact SD-CG1 4.36Å; M112-V132 HydrophobicContact SD-CG2 3.27Å; M112-V132 WeakPolarHBondContact SD-CG2 3.29Å
113K98.6Very high97.7Very high18 Ų1840.6 Ų40.68%0.07817%0.174CC..Hα-helixtrans-62.5-50.1175.6-174.2-176.573.9161.60110.4I74 A76 E81 I84 F109 N110 V111 Y115 S116 L117I74-K113 PolarHBondContact O-NZ 3.17Å; A76-K113 WeakPolarHBondContact O-CE 3.46Å; A76-K113 PolarHBondContact O-NZ 3.36Å; E81-K113 HydrophobicContact CG-CD 4.06Å; E81-K113 HydrophobicContact CG-CG 4.28Å; E81-K113 WeakPolarHBondContact OE1-CD 3.43Å; I84-K113 HydrophobicContact CD1-CB 4.35Å; F109-K113 HydrophobicContact CE1-CD 4.12Å; F109-K113 HydrophobicContact CZ-CD 4.22Å; F109-K113 VanDerWaalsContact O-CB 3.24Å; F109-K113 WeakPolarHBondContact O-CB 3.43Å; F109-K113 PolarHBondContact O-N 3.49Å; N110-K113 PolarHBondContact O-N 3.41Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 3.38Å; K113-Y115 VanDerWaalsContact C-N 3.32Å; K113-Y115 PolarHBondContact O-N 3.38Å; K113-S116 PolarHBondContact O-N 3.1Å; K113-S116 PolarHBondContact O-OG 3.21Å; K113-L117 HydrophobicContact CG-CD1 4.41Å; K113-L117 PolarHBondContact O-N 3.38Å
114A98.6Very high97.9Very high0 Ų032.4 Ų32.40%014%0.143CC..Hα-helixtrans-57.9-46.5179.800000111.3Y70 F73 N110 V111 S116 L117 Y118 F145Y70-A114 HydrophobicContact CD2-CB 3.66Å; Y70-A114 HydrophobicContact CE2-CB 3.77Å; F73-A114 HydrophobicContact CB-CB 3.89Å; F73-A114 HydrophobicContact CD2-CB 4.48Å; N110-A114 WeakPolarHBondContact O-CB 3.44Å; N110-A114 PolarHBondContact O-N 3.45Å; V111-A114 PolarHBondContact O-N 2.99Å; A114-S116 PolarHBondContact O-N 3.18Å; A114-L117 PolarHBondContact O-N 2.93Å; A114-L117 VanDerWaalsContact O-N 3.16Å; A114-Y118 PolarHBondContact O-N 3.28Å; A114-F145 HydrophobicContact CB-CD2 4.02Å; A114-F145 HydrophobicContact CB-CE2 3.72Å; A114-F145 HydrophobicContact CB-CZ 4.19Å
115Y98.6Very high97.8Very high4 Ų433.2 Ų33.22%0.01615%0.148CC..Hα-helixtrans-61.4-42.4177.3-175.2-97.8000112.8V111 K113 L117 Y118 D119 V122 L148 L149 M152V111-Y115 WeakPolarHBondContact O-CB 3.33Å; V111-Y115 PolarHBondContact O-N 3.19Å; K113-Y115 VanDerWaalsContact C-N 3.32Å; K113-Y115 PolarHBondContact O-N 3.38Å; Y115-L117 PolarHBondContact O-N 3.23Å; Y115-L117 VanDerWaalsContact O-N 3.12Å; Y115-Y118 HydrophobicContact CE2-CD1 4.32Å; Y115-Y118 WeakPolarHBondContact O-CB 3.44Å; Y115-Y118 PolarHBondContact O-N 3.38Å; Y115-Y118 VanDerWaalsContact O-N 3.1Å; Y115-D119 HydrophobicContact CE1-CB 4.27Å; Y115-D119 HydrophobicContact CE2-CB 4.29Å; Y115-D119 PolarHBondContact O-N 3.49Å; Y115-D119 PolarHBondContact OH-OD2 3.26Å; Y115-V122 HydrophobicContact CE1-CB 4.37Å; Y115-V122 HydrophobicContact CE1-CG1 4.03Å; Y115-L148 HydrophobicContact CD2-CD2 3.75Å; Y115-L148 HydrophobicContact CD2-CG 4.02Å; Y115-L148 HydrophobicContact CE2-CG 4.5Å; Y115-L148 HydrophobicContact CG-CD2 3.71Å; Y115-L148 HydrophobicContact CG-CG 4.4Å; Y115-L149 HydrophobicContact CD2-CD2 3.85Å; Y115-L149 HydrophobicContact CE2-CD2 4.1Å; Y115-M152 HydrophobicContact CD1-CE 4.48Å; Y115-M152 HydrophobicContact CE1-CE 3.42Å; Y115-M152 VanDerWaalsContact CE1-CE 3.42Å; Y115-M152 HydrophobicContact CE1-CG 4.34Å; Y115-M152 HydrophobicContact CE2-CB 3.79Å; Y115-M152 HydrophobicContact CE2-CE 4.4Å; Y115-M152 HydrophobicContact CE2-CG 3.64Å; Y115-M152 VanDerWaalsContact OH-CB 3.29Å; Y115-M152 WeakPolarHBondContact OH-CB 3.43Å; Y115-M152 WeakPolarHBondContact OH-CE 3.42Å; Y115-M152 WeakPolarHBondContact OH-CG 3.47Å
116S98.4Very high97.7Very high2 Ų236.9 Ų36.91%0.01417%0.165CC..Hα-helixtrans-63-20.6178.775.70000114.5S78 M112 K113 A114 G123S78-S116 WeakPolarHBondContact CB-OG 3.42Å; S78-S116 PolarHBondContact OG-OG 3.04Å; M112-S116 WeakPolarHBondContact O-CB 3.21Å; M112-S116 PolarHBondContact O-N 2.95Å; K113-S116 PolarHBondContact O-N 3.1Å; K113-S116 PolarHBondContact O-OG 3.21Å; A114-S116 PolarHBondContact O-N 3.18Å; S116-G123 VanDerWaalsContact CA-O 3.24Å; S116-G123 WeakPolarHBondContact CA-O 3.34Å; S116-G123 VanDerWaalsContact CB-O 3.3Å; S116-G123 WeakPolarHBondContact CB-O 3.2Å
117L98.5Very high97.5Very high16 Ų1632.8 Ų32.88%0.08415%0.154CC..Hα-helixtrans-91.1-31176.3-69.2171.5000112.3F73 A76 K113 A114 Y115F73-L117 HydrophobicContact CB-CB 4.31Å; F73-L117 HydrophobicContact CB-CD1 3.98Å; F73-L117 HydrophobicContact CD1-CB 3.52Å; F73-L117 HydrophobicContact CD1-CD1 4.13Å; F73-L117 HydrophobicContact CD1-CG 4.47Å; F73-L117 HydrophobicContact CE1-CB 3.93Å; F73-L117 HydrophobicContact CG-CB 3.93Å; F73-L117 HydrophobicContact CG-CD1 4.39Å; A76-L117 HydrophobicContact CB-CD1 3.74Å; K113-L117 HydrophobicContact CG-CD1 4.41Å; K113-L117 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 2.93Å; A114-L117 VanDerWaalsContact O-N 3.16Å; Y115-L117 PolarHBondContact O-N 3.23Å; Y115-L117 VanDerWaalsContact O-N 3.12Å
118Y98.2Very high97.5Very high69 Ų6932.3 Ų32.327%0.27115%0.15SC..Hα-helixtrans-66.8-58.8174.5179.5-98.1000111.3L69 F73 A114 Y115 L149 E153L69-Y118 HydrophobicContact CD1-CD2 4.01Å; L69-Y118 HydrophobicContact CD1-CE2 3.71Å; F73-Y118 AromaticContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CG 4.3Å; F73-Y118 HydrophobicContact CZ-CD2 4.28Å; A114-Y118 PolarHBondContact O-N 3.28Å; Y115-Y118 HydrophobicContact CE2-CD1 4.32Å; Y115-Y118 WeakPolarHBondContact O-CB 3.44Å; Y115-Y118 PolarHBondContact O-N 3.38Å; Y115-Y118 VanDerWaalsContact O-N 3.1Å; Y118-L149 HydrophobicContact CD1-CD2 3.5Å; Y118-L149 HydrophobicContact CD2-CD2 4.37Å; Y118-L149 HydrophobicContact CE1-CD2 3.69Å; Y118-L149 HydrophobicContact CE2-CD1 4.22Å; Y118-L149 HydrophobicContact CG-CD2 3.87Å; Y118-E153 WeakPolarHBondContact CE1-OE1 3.46Å; Y118-E153 PolarHBondContact OH-OE1 3.17Å
119D97.8Very high97.4Very high15 Ų1532.3 Ų32.38%0.0815%0.15CC..  trans-105.591.7178.2-172.1-20.7000109.6Y115 E121 V122 G123 R158Y115-D119 HydrophobicContact CE1-CB 4.27Å; Y115-D119 HydrophobicContact CE2-CB 4.29Å; Y115-D119 PolarHBondContact O-N 3.49Å; Y115-D119 PolarHBondContact OH-OD2 3.26Å; D119-E121 VanDerWaalsContact C-N 3.28Å; D119-E121 PolarHBondContact O-N 3.46Å; D119-E121 WeakPolarHBondContact OD1-CB 3.42Å; D119-E121 PolarHBondContact OD1-N 3.07Å; D119-E121 VanDerWaalsContact OD1-N 3.13Å; D119-V122 HydrophobicContact CB-CB 4.42Å; D119-V122 PolarHBondContact OD1-N 3.25Å; D119-V122 VanDerWaalsContact OD1-N 3.09Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.2Å; D119-G123 WeakPolarHBondContact O-CA 3.4Å; D119-G123 PolarHBondContact O-N 3.27Å; D119-R158 VanDerWaalsContact CG-NH2 3.34Å; D119-R158 IonicContact OD1-NH2 3.28Å; D119-R158 PolarHBondContact OD1-NH2 2.81Å; D119-R158 IonicContact OD2-CZ 2.72Å; D119-R158 IonicContact OD2-NE 2.91Å; D119-R158 PolarHBondContact OD2-NE 2.88Å; D119-R158 IonicContact OD2-NH2 3.29Å; D119-R158 PolarHBondContact OD2-NH2 3.47Å
120R97Very high97.4Very high200 Ų20035.8 Ų35.876%0.75517%0.166SC*.THydrogen-bonded Turntrans-73.2-18.7-178.8-63-172.3-179.4-166.21.4113.9
121E96.9Very high97.4Very high108 Ų10837 Ų3751%0.50517%0.173SC..THydrogen-bonded Turntrans-71.5-43.1176.7-173-169.2177.800109.8D119 R158 K162 P163D119-E121 VanDerWaalsContact C-N 3.28Å; D119-E121 PolarHBondContact O-N 3.46Å; D119-E121 WeakPolarHBondContact OD1-CB 3.42Å; D119-E121 PolarHBondContact OD1-N 3.07Å; D119-E121 VanDerWaalsContact OD1-N 3.13Å; E121-R158 IonicContact OE2-CZ 3.9Å; E121-R158 IonicContact OE2-NH1 2.66Å; E121-R158 PolarHBondContact OE2-NH1 3.4Å; E121-R158 IonicContact OE2-NH2 3.66Å; E121-R158 PolarHBondContact OE2-NH2 2.66Å; E121-K162 VanDerWaalsContact CD-CE 3.48Å; E121-K162 WeakPolarHBondContact OE1-CE 3.42Å; E121-K162 IonicContact OE1-NZ 2.68Å; E121-K162 PolarHBondContact OE1-NZ 2.94Å; E121-K162 WeakPolarHBondContact OE2-CE 3.42Å; E121-K162 IonicContact OE2-NZ 3.21Å; E121-P163 WeakPolarHBondContact O-CD 3.38Å
122V97.4Very high97.4Very high9 Ų937 Ų376%0.05517%0.173CC..THydrogen-bonded Turntrans-76.2-48.4172176.30000110.9Y115 D119 Y124 M152 R158 K162Y115-V122 HydrophobicContact CE1-CB 4.37Å; Y115-V122 HydrophobicContact CE1-CG1 4.03Å; D119-V122 HydrophobicContact CB-CB 4.42Å; D119-V122 PolarHBondContact OD1-N 3.25Å; D119-V122 VanDerWaalsContact OD1-N 3.09Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.2Å; V122-Y124 PolarHBondContact O-N 2.89Å; V122-Y124 VanDerWaalsContact O-N 3.09Å; V122-M152 HydrophobicContact CG1-CE 4.1Å; V122-R158 HydrophobicContact CG2-CB 3.95Å; V122-K162 HydrophobicContact CG2-CG 4.12Å
123G97.4Very high97.4Very high0 Ų036.9 Ų36.90%017%0.173CC..  trans59.1-109.2-172.700000111.2S116 D119S116-G123 VanDerWaalsContact CA-O 3.24Å; S116-G123 WeakPolarHBondContact CA-O 3.34Å; S116-G123 VanDerWaalsContact CB-O 3.3Å; S116-G123 WeakPolarHBondContact CB-O 3.2Å; D119-G123 WeakPolarHBondContact O-CA 3.4Å; D119-G123 PolarHBondContact O-N 3.27Å
124Y97.8Very high97.3Very high24 Ų2440.1 Ų40.19%0.09419%0.189CC..  trans-128.1117.6173.6-179.1-97.9000111H80 A83 I84 D87 M112 V122H80-Y124 HydrophobicContact CB-CG 4.44Å; A83-Y124 HydrophobicContact CB-CD1 3.76Å; A83-Y124 HydrophobicContact CB-CE1 4.11Å; I84-Y124 HydrophobicContact CB-CD2 4.45Å; I84-Y124 HydrophobicContact CB-CE2 4.39Å; I84-Y124 HydrophobicContact CD1-CD2 4.21Å; I84-Y124 HydrophobicContact CD1-CG 4.48Å; I84-Y124 HydrophobicContact CG1-CD1 4.22Å; I84-Y124 HydrophobicContact CG1-CD2 3.36Å; I84-Y124 HydrophobicContact CG1-CE2 3.74Å; I84-Y124 HydrophobicContact CG1-CG 3.63Å; D87-Y124 HydrophobicContact CB-CE1 4.48Å; D87-Y124 WeakPolarHBondContact CB-OH 3.22Å; D87-Y124 WeakPolarHBondContact OD2-CE1 3.34Å; D87-Y124 PolarHBondContact OD2-OH 3.48Å; M112-Y124 HydrophobicContact CB-CD2 4.49Å; M112-Y124 HydrophobicContact CB-CE2 4.4Å; M112-Y124 HydrophobicContact CE-CD2 3.52Å; M112-Y124 HydrophobicContact CE-CE2 3.58Å; M112-Y124 HydrophobicContact CG-CE2 4.27Å; V122-Y124 PolarHBondContact O-N 2.89Å; V122-Y124 VanDerWaalsContact O-N 3.09Å
125C95.7Very high97.3Very high17 Ų1740.3 Ų40.312%0.11519%0.19CC..  trans-101.5134.2169.4-175.90000110.8G127 S128 Y161 M165C125-G127 PolarHBondContact O-N 2.86Å; C125-S128 WeakPolarHBondContact O-CB 3.09Å; C125-S128 PolarHBondContact O-N 3.46Å; C125-S128 VanDerWaalsContact O-N 3.16Å; C125-S128 PolarHBondContact O-OG 3.31Å; C125-Y161 HydrophobicContact CB-CD1 3.71Å; C125-Y161 HydrophobicContact CB-CG 4.2Å; C125-Y161 WeakPolarHBondContact CB-O 3.4Å; C125-M165 VanDerWaalsContact SG-CE 3.55Å
126Q94.3Very high97.3Very high125 Ų12540.5 Ų40.558%0.58419%0.191SC*.THydrogen-bonded Turntrans-55.2136.4175176.1171.5-20.100110.5D87 S128D87-Q126 WeakPolarHBondContact OD2-CA 3.49Å; D87-Q126 WeakPolarHBondContact OD2-CG 3.45Å; Q126-S128 VanDerWaalsContact C-N 3.35Å
127G93.6Very high97.2Very high27 Ų2743.1 Ų43.128%0.27821%0.205SC..THydrogen-bonded Turntrans91.5-20.9-17800000114.8C125 A129 F130C125-G127 PolarHBondContact O-N 2.86Å; G127-A129 PolarHBondContact O-N 3.17Å; G127-F130 PolarHBondContact O-N 3.08Å; G127-F130 VanDerWaalsContact O-N 3.13Å
128S96.4Very high97.1Very high9 Ų944.9 Ų44.96%0.06321%0.214CC..Hα-helixtrans-62.5-26.7176.860.20000113.2M112 C125 Q126 F130 V131 V132M112-S128 WeakPolarHBondContact CE-OG 3.47Å; C125-S128 WeakPolarHBondContact O-CB 3.09Å; C125-S128 PolarHBondContact O-N 3.46Å; C125-S128 VanDerWaalsContact O-N 3.16Å; C125-S128 PolarHBondContact O-OG 3.31Å; Q126-S128 VanDerWaalsContact C-N 3.35Å; S128-F130 PolarHBondContact O-N 3.05Å; S128-F130 VanDerWaalsContact O-N 3.14Å; S128-V131 WeakPolarHBondContact O-CB 3.48Å; S128-V131 PolarHBondContact O-N 2.92Å; S128-V132 PolarHBondContact O-N 2.88Å
129A97.7Very high97Very high0 Ų042 Ų420%020%0.203CC..Hα-helixtrans-56.6-28.5174.500000113.3D87 T91 L108 M112 G127 V132 G133D87-A129 HydrophobicContact CB-CB 4.47Å; T91-A129 HydrophobicContact CG2-CB 4.4Å; L108-A129 HydrophobicContact CD1-CB 4.44Å; L108-A129 WeakPolarHBondContact CD1-O 3.42Å; L108-A129 HydrophobicContact CD2-CB 4.5Å; M112-A129 HydrophobicContact CG-CB 4.36Å; G127-A129 PolarHBondContact O-N 3.17Å; A129-V132 PolarHBondContact O-N 3.44Å; A129-G133 PolarHBondContact O-N 2.73Å
130F97.9Very high96.9Very high94 Ų9445 Ų4541%0.41222%0.224SC..Hα-helixtrans-68.1-34.8176.4-75.3-86.8000112.7R90 T91 F92 G127 S128 G133 M134R90-F130 WeakPolarHBondContact O-CZ 3.46Å; T91-F130 HydrophobicContact CG2-CD1 3.94Å; T91-F130 HydrophobicContact CG2-CE1 4.16Å; T91-F130 HydrophobicContact CG2-CG 4.13Å; F92-F130 HydrophobicContact CD1-CD1 4.32Å; F92-F130 HydrophobicContact CD1-CE1 4.39Å; F92-F130 HydrophobicContact CD2-CD1 4.47Å; F92-F130 AromaticContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CE1 4.31Å; F92-F130 HydrophobicContact CE2-CD1 4.02Å; F92-F130 HydrophobicContact CZ-CB 4.46Å; F92-F130 AromaticContact CZ-CD1 3.7Å; F92-F130 HydrophobicContact CZ-CD1 3.7Å; G127-F130 PolarHBondContact O-N 3.08Å; G127-F130 VanDerWaalsContact O-N 3.13Å; S128-F130 PolarHBondContact O-N 3.05Å; S128-F130 VanDerWaalsContact O-N 3.14Å; F130-G133 PolarHBondContact O-N 2.9Å; F130-M134 WeakPolarHBondContact O-CG 3.46Å; F130-M134 PolarHBondContact O-N 3.45Å
131V97.8Very high96.9Very high38 Ų3838 Ų3823%0.2320%0.199CC..Hα-helixtrans-63.1-48.7175.2178.70000109.5S128 G133 M134 L135 L148 L151 L157 Y161S128-V131 WeakPolarHBondContact O-CB 3.48Å; S128-V131 PolarHBondContact O-N 2.92Å; V131-G133 PolarHBondContact O-N 3.41Å; V131-M134 WeakPolarHBondContact O-CB 3.42Å; V131-M134 PolarHBondContact O-N 3.43Å; V131-L135 PolarHBondContact O-N 3.04Å; V131-L148 HydrophobicContact CG1-CD1 4.4Å; V131-L151 HydrophobicContact CG1-CD1 4.45Å; V131-L157 HydrophobicContact CG1-CD2 4.28Å; V131-Y161 WeakPolarHBondContact CG2-OH 3.4Å
132V98.4Very high96.8Very high0 Ų036.5 Ų36.50%019%0.193CC..Hα-helixtrans-67.3-37.5179178.30000112L108 V111 M112 S128 A129 M134 L135 L136 L148L108-V132 HydrophobicContact CD1-CB 3.7Å; L108-V132 HydrophobicContact CD1-CG1 3.55Å; V111-V132 HydrophobicContact CB-CG1 3.67Å; V111-V132 HydrophobicContact CG1-CG1 3.45Å; V111-V132 VanDerWaalsContact CG1-CG1 3.45Å; V111-V132 HydrophobicContact CG1-CG2 4.27Å; V111-V132 HydrophobicContact CG2-CG1 4.48Å; M112-V132 HydrophobicContact CG-CG2 4.49Å; M112-V132 HydrophobicContact SD-CB 3.77Å; M112-V132 HydrophobicContact SD-CG1 4.36Å; M112-V132 HydrophobicContact SD-CG2 3.27Å; M112-V132 WeakPolarHBondContact SD-CG2 3.29Å; S128-V132 PolarHBondContact O-N 2.88Å; A129-V132 PolarHBondContact O-N 3.44Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 2.83Å; V132-L135 PolarHBondContact O-N 3.22Å; V132-L135 VanDerWaalsContact O-N 3.16Å; V132-L136 HydrophobicContact CG1-CD1 3.91Å; V132-L136 HydrophobicContact CG1-CG 4.22Å; V132-L136 WeakPolarHBondContact O-CG 3.46Å; V132-L136 PolarHBondContact O-N 3.16Å; V132-L148 HydrophobicContact CG2-CD1 3.89Å; V132-L148 HydrophobicContact CG2-CD2 3.56Å; V132-L148 HydrophobicContact CG2-CG 4.28Å
133G97.8Very high96.8Very high0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-57.4-43.8173.700000111.4F98 A129 F130 V131 L135 L136 L137F98-G133 WeakPolarHBondContact CZ-O 3.29Å; A129-G133 PolarHBondContact O-N 2.73Å; F130-G133 PolarHBondContact O-N 2.9Å; V131-G133 PolarHBondContact O-N 3.41Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 2.63Å; G133-L136 PolarHBondContact O-N 3.41Å; G133-L137 WeakPolarHBondContact O-CG 3.27Å; G133-L137 PolarHBondContact O-N 2.97Å; G133-L137 VanDerWaalsContact O-N 3.13Å
134M97.5Very high96.9Very high85 Ų8538.3 Ų38.342%0.41920%0.2SC..Hα-helixtrans-62.6-38.7175.9-75.1-61-59.700113.1F92 F130 V131 V132 L137F92-M134 HydrophobicContact CE1-SD 4.34Å; F92-M134 HydrophobicContact CE2-CG 4.17Å; F92-M134 HydrophobicContact CE2-SD 4.29Å; F92-M134 HydrophobicContact CZ-CG 3.77Å; F92-M134 HydrophobicContact CZ-SD 3.69Å; F130-M134 WeakPolarHBondContact O-CG 3.46Å; F130-M134 PolarHBondContact O-N 3.45Å; V131-M134 WeakPolarHBondContact O-CB 3.42Å; V131-M134 PolarHBondContact O-N 3.43Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 2.83Å; M134-L137 HydrophobicContact SD-CD1 4.32Å
135L98Very high96.9Very high4 Ų437.1 Ų37.12%0.02120%0.196CC..Hα-helixtrans-66.1-45.7175.5-63.8175.3000111.1W55 V131 V132 G133 L137 L138 M139 A144 V147 L148 L151W55-L135 HydrophobicContact CE3-CD2 3.94Å; W55-L135 HydrophobicContact CZ3-CD2 4.11Å; V131-L135 PolarHBondContact O-N 3.04Å; V132-L135 PolarHBondContact O-N 3.22Å; V132-L135 VanDerWaalsContact O-N 3.16Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 2.63Å; L135-L137 PolarHBondContact O-N 3.45Å; L135-L138 WeakPolarHBondContact O-CA 3.27Å; L135-L138 PolarHBondContact O-N 2.95Å; L135-M139 HydrophobicContact CD2-CE 4.07Å; L135-M139 WeakPolarHBondContact O-CG 3.38Å; L135-M139 PolarHBondContact O-N 3.36Å; L135-A144 HydrophobicContact CB-CB 3.83Å; L135-V147 HydrophobicContact CD1-CB 4.46Å; L135-V147 HydrophobicContact CD1-CG1 4.33Å; L135-V147 HydrophobicContact CD2-CB 4.5Å; L135-V147 HydrophobicContact CD2-CG1 3.88Å; L135-L148 HydrophobicContact CD1-CB 4.12Å; L135-L151 HydrophobicContact CD1-CD1 4.34Å
136L97.9Very high97Very high8 Ų836.4 Ų36.44%0.04219%0.191CC..Hα-helixtrans-65.8-20.3-179-73.2173.6000114.2F97 F98 L108 V111 V132 G133 L138 M139 E141 A144F97-L136 HydrophobicContact CE1-CB 4.04Å; F98-L136 HydrophobicContact CZ-CB 4.33Å; L108-L136 VanDerWaalsContact CA-CD1 3.42Å; L108-L136 HydrophobicContact CB-CD1 3.86Å; L108-L136 HydrophobicContact CD1-CD1 4.11Å; V111-L136 HydrophobicContact CG2-CD2 4.28Å; V132-L136 HydrophobicContact CG1-CD1 3.91Å; V132-L136 HydrophobicContact CG1-CG 4.22Å; V132-L136 WeakPolarHBondContact O-CG 3.46Å; V132-L136 PolarHBondContact O-N 3.16Å; G133-L136 PolarHBondContact O-N 3.41Å; L136-L138 PolarHBondContact O-N 3.19Å; L136-M139 WeakPolarHBondContact CA-O 3.24Å; L136-E141 HydrophobicContact CD2-CB 4.15Å; L136-A144 HydrophobicContact CD2-CB 3.81Å; L136-A144 HydrophobicContact CG-CB 4.19Å
137L96.6Very high97.2Very high57 Ų5730.6 Ų30.630%0.29816%0.164SC..THydrogen-bonded Turntrans-70.7-16170.1-70.1178.4000113.2H95 F97 F98 G133 M134 L135H95-L137 WeakPolarHBondContact CE1-CD2 3.19Å; H95-L137 WeakPolarHBondContact ND1-CD2 3.3Å; F97-L137 HydrophobicContact CB-CD2 3.88Å; F97-L137 HydrophobicContact CD1-CD2 3.93Å; F97-L137 HydrophobicContact CG-CD2 4.13Å; F98-L137 HydrophobicContact CD2-CD2 4.32Å; F98-L137 HydrophobicContact CE2-CD1 4.28Å; F98-L137 HydrophobicContact CE2-CD2 3.58Å; F98-L137 HydrophobicContact CE2-CG 3.82Å; F98-L137 HydrophobicContact CZ-CD2 4.21Å; F98-L137 HydrophobicContact CZ-CG 4.28Å; G133-L137 WeakPolarHBondContact O-CG 3.27Å; G133-L137 PolarHBondContact O-N 2.97Å; G133-L137 VanDerWaalsContact O-N 3.13Å; M134-L137 HydrophobicContact SD-CD1 4.32Å; L135-L137 PolarHBondContact O-N 3.45Å
138L96.2Very high97.4Very high53 Ų5329.6 Ų29.628%0.27715%0.152SC..THydrogen-bonded Turntrans-116.5-30.2-174.1-60.7174000112.9R51 A52 W55 L135 L136R51-L138 HydrophobicContact CB-CD1 4.19Å; R51-L138 HydrophobicContact CB-CD2 4.36Å; A52-L138 HydrophobicContact CB-CB 4.26Å; A52-L138 WeakPolarHBondContact CB-O 3.42Å; W55-L138 HydrophobicContact CD2-CD1 4.23Å; W55-L138 HydrophobicContact CE3-CD1 3.6Å; W55-L138 HydrophobicContact CH2-CD1 3.63Å; W55-L138 HydrophobicContact CZ2-CD1 4.24Å; W55-L138 HydrophobicContact CZ3-CD1 3.27Å; L135-L138 WeakPolarHBondContact O-CA 3.27Å; L135-L138 PolarHBondContact O-N 2.95Å; L136-L138 PolarHBondContact O-N 3.19Å
139M95.8Very high97.5Very high9 Ų929.6 Ų29.64%0.04415%0.152CC..SBendtrans-143.9157.7-173.568.6-163.672.800112.9W55 Q56 L135 L136 E143 A144 V147W55-M139 HydrophobicContact CE3-CE 4.47Å; Q56-M139 HydrophobicContact CG-CE 4.49Å; Q56-M139 HydrophobicContact CG-SD 4.18Å; L135-M139 HydrophobicContact CD2-CE 4.07Å; L135-M139 WeakPolarHBondContact O-CG 3.38Å; L135-M139 PolarHBondContact O-N 3.36Å; L136-M139 WeakPolarHBondContact CA-O 3.24Å; M139-E143 HydrophobicContact CB-CB 4.03Å; M139-E143 HydrophobicContact CG-CB 3.98Å; M139-E143 HydrophobicContact SD-CB 4.08Å; M139-A144 HydrophobicContact CG-CB 3.84Å; M139-A144 HydrophobicContact SD-CB 4.37Å; M139-V147 HydrophobicContact CE-CG2 4.39Å; M139-V147 HydrophobicContact SD-CB 4.27Å; M139-V147 HydrophobicContact SD-CG2 3.77Å
140P96Very high97.5Very high78 Ų7831.7 Ų31.751%0.50616%0.161SC..  trans-59.8165.9173.5-2234000113.9E142 E143 A144P140-E142 PolarHBondContact O-N 3.3Å; P140-E143 VanDerWaalsContact CD-OE2 3.3Å; P140-E143 WeakPolarHBondContact CD-OE2 3.38Å; P140-E143 PolarHBondContact O-N 3.43Å; P140-A144 WeakPolarHBondContact O-CB 3.42Å; P140-A144 PolarHBondContact O-N 3.28Å
141E96.8Very high97.5Very high52 Ų5229.4 Ų29.424%0.24315%0.152CC..Hα-helixtrans-61.7-40-171.469.3-177.3-17400114.6Y70 S107 N110 V111 L136 A144 F145Y70-E141 HydrophobicContact CE1-CG 3.8Å; Y70-E141 WeakPolarHBondContact OH-CB 3.37Å; Y70-E141 VanDerWaalsContact OH-CG 3.29Å; Y70-E141 WeakPolarHBondContact OH-CG 3.35Å; Y70-E141 PolarHBondContact OH-OE1 2.97Å; Y70-E141 PolarHBondContact OH-OE2 3.47Å; Y70-E141 VanDerWaalsContact OH-OE2 3.06Å; S107-E141 PolarHBondContact OG-OE2 2.74Å; N110-E141 PolarHBondContact ND2-OE2 2.88Å; V111-E141 HydrophobicContact CG2-CB 3.74Å; V111-E141 WeakPolarHBondContact CG2-O 3.16Å; L136-E141 HydrophobicContact CD2-CB 4.15Å; E141-A144 PolarHBondContact O-N 3.19Å; E141-F145 WeakPolarHBondContact O-CB 3.27Å; E141-F145 PolarHBondContact O-N 2.91Å
142E96.8Very high97.5Very high77 Ų7727.8 Ų27.836%0.3614%0.142SC..Hα-helixtrans-66.5-40.7178.9-64.4178.2175.600111.6R67 Y70 P140 F145 A146R67-E142 WeakPolarHBondContact CD-OE2 3.36Å; R67-E142 HydrophobicContact CG-CB 4.15Å; R67-E142 HydrophobicContact CG-CG 4.41Å; R67-E142 WeakPolarHBondContact CG-OE2 3.48Å; R67-E142 IonicContact NE-OE2 2.85Å; R67-E142 PolarHBondContact NE-OE2 3.42Å; R67-E142 VanDerWaalsContact NE-OE2 3.1Å; Y70-E142 HydrophobicContact CD1-CG 3.95Å; Y70-E142 HydrophobicContact CE1-CG 4.29Å; P140-E142 PolarHBondContact O-N 3.3Å; E142-F145 PolarHBondContact O-N 3.41Å; E142-A146 PolarHBondContact O-N 2.94Å
143E97.2Very high97.3Very high47 Ų4731.3 Ų31.322%0.2216%0.159CC..Hα-helixtrans-70.4-42.2177.5-69.2167.7-145.700110.8Q56 M139 P140 F145 A146 V147Q56-E143 PolarHBondContact NE2-OE2 3Å; Q56-E143 PolarHBondContact OE1-OE2 3.18Å; M139-E143 HydrophobicContact CB-CB 4.03Å; M139-E143 HydrophobicContact CG-CB 3.98Å; M139-E143 HydrophobicContact SD-CB 4.08Å; P140-E143 VanDerWaalsContact CD-OE2 3.3Å; P140-E143 WeakPolarHBondContact CD-OE2 3.38Å; P140-E143 PolarHBondContact O-N 3.43Å; E143-F145 VanDerWaalsContact C-N 3.28Å; E143-F145 PolarHBondContact O-N 3.32Å; E143-A146 WeakPolarHBondContact O-CB 3.45Å; E143-A146 PolarHBondContact O-N 3.34Å; E143-A146 VanDerWaalsContact O-N 3.17Å; E143-V147 WeakPolarHBondContact O-CG2 3.33Å; E143-V147 PolarHBondContact O-N 3.44Å
144A98.3Very high97.2Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-61.1-40.217500000111.1L135 L136 M139 P140 E141 L148L135-A144 HydrophobicContact CB-CB 3.83Å; L136-A144 HydrophobicContact CD2-CB 3.81Å; L136-A144 HydrophobicContact CG-CB 4.19Å; M139-A144 HydrophobicContact CG-CB 3.84Å; M139-A144 HydrophobicContact SD-CB 4.37Å; P140-A144 WeakPolarHBondContact O-CB 3.42Å; P140-A144 PolarHBondContact O-N 3.28Å; E141-A144 PolarHBondContact O-N 3.19Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.42Å
145F98.5Very high97Very high0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-62.8-46.6173.2-178.7-112.8000111.5A66 L69 Y70 F73 V111 A114 E141 E142 E143 V147 L148 L149A66-F145 HydrophobicContact CB-CD1 4.2Å; L69-F145 HydrophobicContact CB-CE1 4.17Å; Y70-F145 HydrophobicContact CD2-CB 3.79Å; Y70-F145 AromaticContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD2 4.07Å; Y70-F145 HydrophobicContact CD2-CE1 4.24Å; Y70-F145 AromaticContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CE2-CB 4.11Å; Y70-F145 HydrophobicContact CE2-CG 4.22Å; Y70-F145 HydrophobicContact CG-CD1 4.17Å; Y70-F145 HydrophobicContact CG-CG 4.45Å; F73-F145 HydrophobicContact CD2-CZ 4.18Å; F73-F145 HydrophobicContact CE2-CZ 4.45Å; V111-F145 HydrophobicContact CG1-CB 4.15Å; V111-F145 HydrophobicContact CG1-CD2 4.27Å; A114-F145 HydrophobicContact CB-CD2 4.02Å; A114-F145 HydrophobicContact CB-CE2 3.72Å; A114-F145 HydrophobicContact CB-CZ 4.19Å; E141-F145 WeakPolarHBondContact O-CB 3.27Å; E141-F145 PolarHBondContact O-N 2.91Å; E142-F145 PolarHBondContact O-N 3.41Å; E143-F145 VanDerWaalsContact C-N 3.28Å; E143-F145 PolarHBondContact O-N 3.32Å; F145-V147 PolarHBondContact O-N 2.85Å; F145-L148 WeakPolarHBondContact O-CB 3.07Å; F145-L148 PolarHBondContact O-N 3.26Å; F145-L149 HydrophobicContact CD1-CD1 4.44Å; F145-L149 HydrophobicContact CD2-CD2 4.44Å; F145-L149 HydrophobicContact CE1-CD1 3.89Å; F145-L149 HydrophobicContact CE1-CD2 4.4Å; F145-L149 HydrophobicContact CE1-CG 4.28Å; F145-L149 HydrophobicContact CE2-CD2 3.83Å; F145-L149 HydrophobicContact CE2-CG 4.4Å; F145-L149 HydrophobicContact CZ-CD1 4.07Å; F145-L149 HydrophobicContact CZ-CD2 3.81Å; F145-L149 HydrophobicContact CZ-CG 4.19Å; F145-L149 WeakPolarHBondContact O-CG 3.47Å; F145-L149 PolarHBondContact O-N 2.92Å
146A98.1Very high96.8Very high2 Ų244.5 Ų44.52%0.01721%0.212CC..Hα-helixtrans-59-47.1178.600000112.6A61 A66 E142 E143 L148 L149 K150A61-A146 HydrophobicContact CB-CB 4.07Å; A66-A146 HydrophobicContact CB-CB 3.43Å; A66-A146 VanDerWaalsContact CB-CB 3.43Å; E142-A146 PolarHBondContact O-N 2.94Å; E143-A146 WeakPolarHBondContact O-CB 3.45Å; E143-A146 PolarHBondContact O-N 3.34Å; E143-A146 VanDerWaalsContact O-N 3.17Å; A146-L148 VanDerWaalsContact C-N 3.34Å; A146-L149 PolarHBondContact O-N 3.31Å; A146-K150 PolarHBondContact O-N 2.92Å
147V98.1Very high96.7Very high3 Ų346.1 Ų46.12%0.01822%0.22CC..Hα-helixtrans-65.9-38.4176.8176.10000111.1Q56 A61 L135 M139 E143 F145 L149 K150 L151Q56-V147 HydrophobicContact CB-CG2 4.4Å; Q56-V147 HydrophobicContact CG-CG2 3.68Å; A61-V147 HydrophobicContact CB-CG2 4.23Å; L135-V147 HydrophobicContact CD1-CB 4.46Å; L135-V147 HydrophobicContact CD1-CG1 4.33Å; L135-V147 HydrophobicContact CD2-CB 4.5Å; L135-V147 HydrophobicContact CD2-CG1 3.88Å; M139-V147 HydrophobicContact CE-CG2 4.39Å; M139-V147 HydrophobicContact SD-CB 4.27Å; M139-V147 HydrophobicContact SD-CG2 3.77Å; E143-V147 WeakPolarHBondContact O-CG2 3.33Å; E143-V147 PolarHBondContact O-N 3.44Å; F145-V147 PolarHBondContact O-N 2.85Å; V147-L149 VanDerWaalsContact C-N 3.35Å; V147-L149 PolarHBondContact O-N 2.87Å; V147-K150 PolarHBondContact O-N 3.39Å; V147-L151 HydrophobicContact CG1-CD1 4.13Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CG 3.47Å; V147-L151 PolarHBondContact O-N 3.42Å
148L98.3Very high96.7Very high5 Ų545.2 Ų45.23%0.02621%0.213CC..Hα-helixtrans-60.1-43.2176.3178.667.9000111.9V111 Y115 V131 V132 L135 A144 F145 A146 K150 L151 M152V111-L148 HydrophobicContact CG1-CD2 4.05Å; Y115-L148 HydrophobicContact CD2-CD2 3.75Å; Y115-L148 HydrophobicContact CD2-CG 4.02Å; Y115-L148 HydrophobicContact CE2-CG 4.5Å; Y115-L148 HydrophobicContact CG-CD2 3.71Å; Y115-L148 HydrophobicContact CG-CG 4.4Å; V131-L148 HydrophobicContact CG1-CD1 4.4Å; V132-L148 HydrophobicContact CG2-CD1 3.89Å; V132-L148 HydrophobicContact CG2-CD2 3.56Å; V132-L148 HydrophobicContact CG2-CG 4.28Å; L135-L148 HydrophobicContact CD1-CB 4.12Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.42Å; F145-L148 WeakPolarHBondContact O-CB 3.07Å; F145-L148 PolarHBondContact O-N 3.26Å; A146-L148 VanDerWaalsContact C-N 3.34Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.47Å; L148-L151 PolarHBondContact O-N 3.3Å; L148-M152 HydrophobicContact CD1-CG 3.89Å; L148-M152 HydrophobicContact CG-CG 4.21Å; L148-M152 WeakPolarHBondContact O-CB 3.31Å; L148-M152 WeakPolarHBondContact O-CG 3.12Å; L148-M152 PolarHBondContact O-N 3.21Å
149L97.9Very high96.7Very high10 Ų1044.9 Ų44.95%0.05221%0.21CC..Hα-helixtrans-56.3-46.9177-63.5-169000110.6A66 L69 Y115 Y118 F145 A146 V147 M152 E153A66-L149 HydrophobicContact CB-CD1 4.4Å; L69-L149 HydrophobicContact CD1-CD1 4.41Å; Y115-L149 HydrophobicContact CD2-CD2 3.85Å; Y115-L149 HydrophobicContact CE2-CD2 4.1Å; Y118-L149 HydrophobicContact CD1-CD2 3.5Å; Y118-L149 HydrophobicContact CD2-CD2 4.37Å; Y118-L149 HydrophobicContact CE1-CD2 3.69Å; Y118-L149 HydrophobicContact CE2-CD1 4.22Å; Y118-L149 HydrophobicContact CG-CD2 3.87Å; F145-L149 HydrophobicContact CD1-CD1 4.44Å; F145-L149 HydrophobicContact CD2-CD2 4.44Å; F145-L149 HydrophobicContact CE1-CD1 3.89Å; F145-L149 HydrophobicContact CE1-CD2 4.4Å; F145-L149 HydrophobicContact CE1-CG 4.28Å; F145-L149 HydrophobicContact CE2-CD2 3.83Å; F145-L149 HydrophobicContact CE2-CG 4.4Å; F145-L149 HydrophobicContact CZ-CD1 4.07Å; F145-L149 HydrophobicContact CZ-CD2 3.81Å; F145-L149 HydrophobicContact CZ-CG 4.19Å; F145-L149 WeakPolarHBondContact O-CG 3.47Å; F145-L149 PolarHBondContact O-N 2.92Å; A146-L149 PolarHBondContact O-N 3.31Å; V147-L149 VanDerWaalsContact C-N 3.35Å; V147-L149 PolarHBondContact O-N 2.87Å; L149-M152 PolarHBondContact O-N 3.39Å; L149-E153 WeakPolarHBondContact O-CB 3.4Å; L149-E153 WeakPolarHBondContact O-CG 3.47Å; L149-E153 PolarHBondContact O-N 3.27Å
150K97.5Very high96.7Very high44 Ų4446.8 Ų46.819%0.19122%0.22CC..Hα-helixtrans-62.8-45.5177.8-68-64.1-175.5-176.40113.3S59 S60 A61 A146 V147 L148 M152 E153 D154 Y155S59-K150 WeakPolarHBondContact O-CD 3.44Å; S59-K150 VanDerWaalsContact O-CG 3.29Å; S59-K150 WeakPolarHBondContact O-CG 3.21Å; S60-K150 WeakPolarHBondContact O-CE 3.08Å; A61-K150 HydrophobicContact CB-CG 4.45Å; A146-K150 PolarHBondContact O-N 2.92Å; V147-K150 PolarHBondContact O-N 3.39Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.47Å; K150-M152 VanDerWaalsContact C-N 3.28Å; K150-M152 PolarHBondContact O-N 2.85Å; K150-E153 PolarHBondContact O-N 3.42Å; K150-D154 WeakPolarHBondContact CD-OD2 3.35Å; K150-D154 IonicContact NZ-OD2 2.74Å; K150-D154 PolarHBondContact NZ-OD2 3.27Å; K150-D154 WeakPolarHBondContact O-CB 3.39Å; K150-D154 PolarHBondContact O-N 3.48Å; K150-Y155 WeakPolarHBondContact O-CD2 3.41Å; K150-Y155 PolarHBondContact O-N 3.01Å
151L97.5Very high96.6Very high45 Ų4545 Ų4524%0.23620%0.203CC..Hα-helixtrans-59.1-42.7175.7-70.5175.4000111.7V131 L135 V147 L148 Y155 L157V131-L151 HydrophobicContact CG1-CD1 4.45Å; L135-L151 HydrophobicContact CD1-CD1 4.34Å; V147-L151 HydrophobicContact CG1-CD1 4.13Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CG 3.47Å; V147-L151 PolarHBondContact O-N 3.42Å; L148-L151 PolarHBondContact O-N 3.3Å; L151-Y155 HydrophobicContact CD2-CD2 4.13Å; L151-Y155 HydrophobicContact CD2-CG 4.36Å; L151-Y155 CarbonylContact O-C 3.52Å; L151-Y155 WeakPolarHBondContact O-CB 3.29Å; L151-L157 HydrophobicContact CB-CD2 4.27Å; L151-L157 WeakPolarHBondContact O-CB 3.14Å; L151-L157 PolarHBondContact O-N 3.48Å; L151-L157 VanDerWaalsContact O-N 3.1Å
152M97.3Very high96.5Very high4 Ų443.9 Ų43.92%0.0220%0.198CC..Hα-helixtrans-72.1-40-177-67.2-63.3-89.700112.2Y115 V122 L148 L149 K150 L157 R158 Y161Y115-M152 HydrophobicContact CD1-CE 4.48Å; Y115-M152 HydrophobicContact CE1-CE 3.42Å; Y115-M152 VanDerWaalsContact CE1-CE 3.42Å; Y115-M152 HydrophobicContact CE1-CG 4.34Å; Y115-M152 HydrophobicContact CE2-CB 3.79Å; Y115-M152 HydrophobicContact CE2-CE 4.4Å; Y115-M152 HydrophobicContact CE2-CG 3.64Å; Y115-M152 VanDerWaalsContact OH-CB 3.29Å; Y115-M152 WeakPolarHBondContact OH-CB 3.43Å; Y115-M152 WeakPolarHBondContact OH-CE 3.42Å; Y115-M152 WeakPolarHBondContact OH-CG 3.47Å; V122-M152 HydrophobicContact CG1-CE 4.1Å; L148-M152 HydrophobicContact CD1-CG 3.89Å; L148-M152 HydrophobicContact CG-CG 4.21Å; L148-M152 WeakPolarHBondContact O-CB 3.31Å; L148-M152 WeakPolarHBondContact O-CG 3.12Å; L148-M152 PolarHBondContact O-N 3.21Å; L149-M152 PolarHBondContact O-N 3.39Å; K150-M152 VanDerWaalsContact C-N 3.28Å; K150-M152 PolarHBondContact O-N 2.85Å; M152-L157 PolarHBondContact O-N 3.06Å; M152-L157 HydrophobicContact SD-CB 3.9Å; M152-L157 HydrophobicContact SD-CD2 3.94Å; M152-L157 HydrophobicContact SD-CG 3.91Å; M152-R158 HydrophobicContact CB-CB 4.15Å; M152-R158 HydrophobicContact CE-CB 4.1Å; M152-R158 WeakPolarHBondContact O-CB 3.35Å; M152-R158 WeakPolarHBondContact O-CD 2.93Å; M152-R158 WeakPolarHBondContact O-CG 3.5Å; M152-R158 PolarHBondContact O-N 3.16Å; M152-R158 VanDerWaalsContact O-N 3.17Å; M152-R158 HydrophobicContact SD-CB 4.44Å; M152-Y161 HydrophobicContact CE-CD2 3.71Å; M152-Y161 HydrophobicContact CE-CG 4.32Å; M152-Y161 HydrophobicContact SD-CD2 3.95Å; M152-Y161 HydrophobicContact SD-CE2 4.36Å
153E95.3Very high96.3Very high75 Ų7545 Ų4535%0.3521%0.211SC..Hα-helixtrans-87.5-68.2-178.1-64.4179.7152.600112.4Y118 L149 K150 Y155 R156Y118-E153 WeakPolarHBondContact CE1-OE1 3.46Å; Y118-E153 PolarHBondContact OH-OE1 3.17Å; L149-E153 WeakPolarHBondContact O-CB 3.4Å; L149-E153 WeakPolarHBondContact O-CG 3.47Å; L149-E153 PolarHBondContact O-N 3.27Å; K150-E153 PolarHBondContact O-N 3.42Å; E153-Y155 PolarHBondContact O-N 3.14Å; E153-R156 PolarHBondContact O-N 2.92Å
154D94.9Very high96Very high93 Ų9346.6 Ų46.650%0.49723%0.228SC..THydrogen-bonded Turntrans-73-34.1-167.7-64.1-8.2000111.5K150 R156K150-D154 WeakPolarHBondContact CD-OD2 3.35Å; K150-D154 IonicContact NZ-OD2 2.74Å; K150-D154 PolarHBondContact NZ-OD2 3.27Å; K150-D154 WeakPolarHBondContact O-CB 3.39Å; K150-D154 PolarHBondContact O-N 3.48Å; D154-R156 VanDerWaalsContact C-N 3.34Å
155Y93.9Very high95.5Very high129 Ų12950.3 Ų50.351%0.50625%0.246SC..THydrogen-bonded Turntrans-94.49175.9-61.4-93.5000113.2L58 K150 L151 E153 L157L58-Y155 PolarHBondContact O-OH 3.02Å; K150-Y155 WeakPolarHBondContact O-CD2 3.41Å; K150-Y155 PolarHBondContact O-N 3.01Å; L151-Y155 HydrophobicContact CD2-CD2 4.13Å; L151-Y155 HydrophobicContact CD2-CG 4.36Å; L151-Y155 CarbonylContact O-C 3.52Å; L151-Y155 WeakPolarHBondContact O-CB 3.29Å; E153-Y155 PolarHBondContact O-N 3.14Å; Y155-L157 PolarHBondContact O-N 3.16Å
156R94.2Very high95Very high144 Ų14454 Ų5454%0.54327%0.272SS..  trans56.519.5175.4-58.5-179.659.7-134.3-13.1114.9E153 D154 R158 E159 E167E153-R156 PolarHBondContact O-N 2.92Å; D154-R156 VanDerWaalsContact C-N 3.34Å; R156-R158 PolarHBondContact O-N 3.47Å; R156-R158 VanDerWaalsContact O-N 3.16Å; R156-E159 HydrophobicContact CB-CG 4.42Å; R156-E159 PolarHBondContact O-N 2.68Å; R156-E159 VanDerWaalsContact O-N 3.14Å; R156-E167 IonicContact CZ-OE1 3.06Å; R156-E167 IonicContact NH1-OE1 3.47Å; R156-E167 IonicContact NH2-OE1 2.73Å; R156-E167 PolarHBondContact NH2-OE1 2.81Å
157L95.8Very high94.7Very high41 Ų4156.1 Ų56.122%0.21528%0.282CS..THydrogen-bonded Turntrans-62.4-27.8-178.4-17267.4000111.6V131 L151 M152 Y155 E159 L160 Y161V131-L157 HydrophobicContact CG1-CD2 4.28Å; L151-L157 HydrophobicContact CB-CD2 4.27Å; L151-L157 WeakPolarHBondContact O-CB 3.14Å; L151-L157 PolarHBondContact O-N 3.48Å; L151-L157 VanDerWaalsContact O-N 3.1Å; M152-L157 PolarHBondContact O-N 3.06Å; M152-L157 HydrophobicContact SD-CB 3.9Å; M152-L157 HydrophobicContact SD-CD2 3.94Å; M152-L157 HydrophobicContact SD-CG 3.91Å; Y155-L157 PolarHBondContact O-N 3.16Å; L157-E159 PolarHBondContact O-N 2.52Å; L157-L160 HydrophobicContact CD1-CD1 3.93Å; L157-L160 PolarHBondContact O-N 3.36Å; L157-Y161 HydrophobicContact CD1-CE2 4.21Å; L157-Y161 HydrophobicContact CD2-CE2 4.07Å; L157-Y161 HydrophobicContact CG-CD2 4.18Å; L157-Y161 HydrophobicContact CG-CE2 3.79Å; L157-Y161 WeakPolarHBondContact O-CD2 3.41Å
158R96.9Very high94.4Very high39 Ų3959.3 Ų59.315%0.14730%0.298CS..Hα-helixtrans-56-33.2176.672.4-175.9-62-89.8-0.7113.7D119 E121 V122 M152 R156 L160 Y161 K162D119-R158 VanDerWaalsContact CG-NH2 3.34Å; D119-R158 IonicContact OD1-NH2 3.28Å; D119-R158 PolarHBondContact OD1-NH2 2.81Å; D119-R158 IonicContact OD2-CZ 2.72Å; D119-R158 IonicContact OD2-NE 2.91Å; D119-R158 PolarHBondContact OD2-NE 2.88Å; D119-R158 IonicContact OD2-NH2 3.29Å; D119-R158 PolarHBondContact OD2-NH2 3.47Å; E121-R158 IonicContact OE2-CZ 3.9Å; E121-R158 IonicContact OE2-NH1 2.66Å; E121-R158 PolarHBondContact OE2-NH1 3.4Å; E121-R158 IonicContact OE2-NH2 3.66Å; E121-R158 PolarHBondContact OE2-NH2 2.66Å; V122-R158 HydrophobicContact CG2-CB 3.95Å; M152-R158 HydrophobicContact CB-CB 4.15Å; M152-R158 HydrophobicContact CE-CB 4.1Å; M152-R158 WeakPolarHBondContact O-CB 3.35Å; M152-R158 WeakPolarHBondContact O-CD 2.93Å; M152-R158 WeakPolarHBondContact O-CG 3.5Å; M152-R158 PolarHBondContact O-N 3.16Å; M152-R158 VanDerWaalsContact O-N 3.17Å; M152-R158 HydrophobicContact SD-CB 4.44Å; R156-R158 PolarHBondContact O-N 3.47Å; R156-R158 VanDerWaalsContact O-N 3.16Å; R158-L160 PolarHBondContact O-N 3.34Å; R158-Y161 CarbonylContact O-C 3.54Å; R158-Y161 PolarHBondContact O-N 2.91Å; R158-K162 PolarHBondContact O-N 3.05Å
159E95.7Very high94.1Very high46 Ų4661 Ų6122%0.21532%0.316CS..Hα-helixtrans-65.7-28.8-175.9-59.3-57.2134.800111.5R156 L157 Y161 K162 E167R156-E159 HydrophobicContact CB-CG 4.42Å; R156-E159 PolarHBondContact O-N 2.68Å; R156-E159 VanDerWaalsContact O-N 3.14Å; L157-E159 PolarHBondContact O-N 2.52Å; E159-Y161 VanDerWaalsContact C-N 3.3Å; E159-K162 VanDerWaalsContact CD-CE 3.48Å; E159-K162 WeakPolarHBondContact OE1-CE 3.3Å; E159-K162 IonicContact OE1-NZ 3.72Å; E159-K162 PolarHBondContact OE1-NZ 2.58Å; E159-K162 WeakPolarHBondContact OE2-CD 3.34Å; E159-K162 WeakPolarHBondContact OE2-CE 3.24Å; E159-K162 IonicContact OE2-NZ 3.68Å; E159-K162 PolarHBondContact OE2-NZ 3.21Å; E159-E167 HydrophobicContact CB-CB 3.82Å; E159-E167 HydrophobicContact CB-CG 3.88Å; E159-E167 WeakPolarHBondContact O-CB 3.37Å
160L94.9Very high93.9Very high49 Ų4964.1 Ų64.126%0.25733%0.333SS..Hα-helixtrans-72.5-23.3173.1-60.5-178.5000113.1L157 R158 E167 L168 C171L157-L160 HydrophobicContact CD1-CD1 3.93Å; L157-L160 PolarHBondContact O-N 3.36Å; R158-L160 PolarHBondContact O-N 3.34Å; L160-E167 HydrophobicContact CD2-CB 4.04Å; L160-E167 HydrophobicContact CD2-CG 3.85Å; L160-L168 HydrophobicContact CD2-CB 4.47Å; L160-C171 HydrophobicContact CD2-CB 4.45Å
161Y95.1Very high93.7Very high41 Ų4164.3 Ų64.316%0.16134%0.339CS..Hα-helixtrans-104.6-2.7-175.1-69.7-61000113.8C125 V131 M152 L157 R158 E159C125-Y161 HydrophobicContact CB-CD1 3.71Å; C125-Y161 HydrophobicContact CB-CG 4.2Å; C125-Y161 WeakPolarHBondContact CB-O 3.4Å; V131-Y161 WeakPolarHBondContact CG2-OH 3.4Å; M152-Y161 HydrophobicContact CE-CD2 3.71Å; M152-Y161 HydrophobicContact CE-CG 4.32Å; M152-Y161 HydrophobicContact SD-CD2 3.95Å; M152-Y161 HydrophobicContact SD-CE2 4.36Å; L157-Y161 HydrophobicContact CD1-CE2 4.21Å; L157-Y161 HydrophobicContact CD2-CE2 4.07Å; L157-Y161 HydrophobicContact CG-CD2 4.18Å; L157-Y161 HydrophobicContact CG-CE2 3.79Å; L157-Y161 WeakPolarHBondContact O-CD2 3.41Å; R158-Y161 CarbonylContact O-C 3.54Å; R158-Y161 PolarHBondContact O-N 2.91Å; E159-Y161 VanDerWaalsContact C-N 3.3Å
162K94.8Very high93.6Very high28 Ų2867.1 Ų67.112%0.12235%0.354CS..SBendtrans-61.2145.1173.2-78-176.1-178.2176.20111E121 V122 R158 E159 S164 M165E121-K162 VanDerWaalsContact CD-CE 3.48Å; E121-K162 WeakPolarHBondContact OE1-CE 3.42Å; E121-K162 IonicContact OE1-NZ 2.68Å; E121-K162 PolarHBondContact OE1-NZ 2.94Å; E121-K162 WeakPolarHBondContact OE2-CE 3.42Å; E121-K162 IonicContact OE2-NZ 3.21Å; V122-K162 HydrophobicContact CG2-CG 4.12Å; R158-K162 PolarHBondContact O-N 3.05Å; E159-K162 VanDerWaalsContact CD-CE 3.48Å; E159-K162 WeakPolarHBondContact OE1-CE 3.3Å; E159-K162 IonicContact OE1-NZ 3.72Å; E159-K162 PolarHBondContact OE1-NZ 2.58Å; E159-K162 WeakPolarHBondContact OE2-CD 3.34Å; E159-K162 WeakPolarHBondContact OE2-CE 3.24Å; E159-K162 IonicContact OE2-NZ 3.68Å; E159-K162 PolarHBondContact OE2-NZ 3.21Å; K162-S164 PolarHBondContact O-N 3Å; K162-M165 PolarHBondContact O-N 3.45Å
163P92Very high93.4Very high99 Ų9972.8 Ų72.864%0.64338%0.379SS*.THydrogen-bonded Turntrans-56.5-26.9-179.3-27.334.7000115E121 M165E121-P163 WeakPolarHBondContact O-CD 3.38Å; P163-M165 PolarHBondContact O-N 3.25Å
164S90.9Very high93.4Very high81 Ų8174.3 Ų74.357%0.56639%0.386SS*.THydrogen-bonded Turntrans-69.9-16.1178.266.70000113.6K162 S166K162-S164 PolarHBondContact O-N 3Å; S164-S166 VanDerWaalsContact CB-OG 3.23Å; S164-S166 WeakPolarHBondContact CB-OG 3.49Å; S164-S166 PolarHBondContact O-N 3.13Å; S164-S166 PolarHBondContact O-OG 3.03Å; S164-S166 PolarHBondContact OG-OG 3.19Å
165M87.1Confident93.4Very high79 Ų7975 Ų7539%0.38939%0.389SS..  trans51.723.4-179.3-62.8-71.6178.100113.9C125 K162 P163 L168 G169C125-M165 VanDerWaalsContact SG-CE 3.55Å; K162-M165 PolarHBondContact O-N 3.45Å; P163-M165 PolarHBondContact O-N 3.25Å; M165-L168 PolarHBondContact O-N 3.13Å; M165-L168 HydrophobicContact SD-CD2 3.8Å; M165-G169 PolarHBondContact O-N 3.24Å
166S88.3Confident93.5Very high77 Ų7774.1 Ų74.154%0.53839%0.389SS..Hα-helixtrans-69.6-47.4-169.6-43.80000111.5S164 L168 G169 L170S164-S166 VanDerWaalsContact CB-OG 3.23Å; S164-S166 WeakPolarHBondContact CB-OG 3.49Å; S164-S166 PolarHBondContact O-N 3.13Å; S164-S166 PolarHBondContact O-OG 3.03Å; S164-S166 PolarHBondContact OG-OG 3.19Å; S166-L168 VanDerWaalsContact C-N 3.32Å; S166-L168 PolarHBondContact O-N 2.7Å; S166-G169 PolarHBondContact O-N 2.73Å; S166-L170 PolarHBondContact O-N 3.42Å
167E92.4Very high93.5Very high47 Ų4769.4 Ų69.422%0.2238%0.378CS..Hα-helixtrans-67.9-35.4178.3-162.376167.400111R156 E159 L160 G169 L170 C171R156-E167 IonicContact CZ-OE1 3.06Å; R156-E167 IonicContact NH1-OE1 3.47Å; R156-E167 IonicContact NH2-OE1 2.73Å; R156-E167 PolarHBondContact NH2-OE1 2.81Å; E159-E167 HydrophobicContact CB-CB 3.82Å; E159-E167 HydrophobicContact CB-CG 3.88Å; E159-E167 WeakPolarHBondContact O-CB 3.37Å; L160-E167 HydrophobicContact CD2-CB 4.04Å; L160-E167 HydrophobicContact CD2-CG 3.85Å; E167-G169 PolarHBondContact O-N 3.2Å; E167-L170 WeakPolarHBondContact O-CB 3.36Å; E167-L170 PolarHBondContact O-N 3.27Å; E167-C171 PolarHBondContact O-N 3.05Å; E167-C171 PolarHBondContact O-SG 3.01Å; E167-C171 VanDerWaalsContact O-SG 3.42Å
168L91.5Very high93.4Very high69 Ų6970 Ų7036%0.36139%0.388SS..Hα-helixtrans-60.5-46174.1179.562.1000111.2L160 M165 S166 L170 C171 L172L160-L168 HydrophobicContact CD2-CB 4.47Å; M165-L168 PolarHBondContact O-N 3.13Å; M165-L168 HydrophobicContact SD-CD2 3.8Å; S166-L168 VanDerWaalsContact C-N 3.32Å; S166-L168 PolarHBondContact O-N 2.7Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.09Å; L168-C171 PolarHBondContact O-N 2.95Å; L168-L172 HydrophobicContact CG-CD1 4.36Å; L168-L172 WeakPolarHBondContact O-CG 3.19Å; L168-L172 PolarHBondContact O-N 3.45Å
169G92Very high93.2Very high40 Ų4071.5 Ų71.541%0.41240%0.402SS..Hα-helixtrans-59.7-41.5174.700000112.6M165 S166 E167 L172 F173M165-G169 PolarHBondContact O-N 3.24Å; S166-G169 PolarHBondContact O-N 2.73Å; E167-G169 PolarHBondContact O-N 3.2Å; G169-L172 PolarHBondContact O-N 3.21Å; G169-F173 PolarHBondContact O-N 3.29Å
170L94.1Very high93Very high77 Ų7774 Ų7440%0.40341%0.414SS..Hα-helixtrans-63.3-45.8175.6179.261000112S166 E167 L168 L172 F173 Q174S166-L170 PolarHBondContact O-N 3.42Å; E167-L170 WeakPolarHBondContact O-CB 3.36Å; E167-L170 PolarHBondContact O-N 3.27Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.09Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-L172 PolarHBondContact O-N 3.02Å; L170-F173 PolarHBondContact O-N 3.1Å; L170-Q174 HydrophobicContact CD1-CG 4.36Å; L170-Q174 HydrophobicContact CG-CG 4.49Å; L170-Q174 VanDerWaalsContact O-CG 3.31Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 2.75Å
171C93.7Very high92.8Very high47 Ų4776.9 Ų76.932%0.31843%0.433SS..Hα-helixtrans-63.1-38.5177.7-72.90000112.2L160 E167 L168 Q174 L175L160-C171 HydrophobicContact CD2-CB 4.45Å; E167-C171 PolarHBondContact O-N 3.05Å; E167-C171 PolarHBondContact O-SG 3.01Å; E167-C171 VanDerWaalsContact O-SG 3.42Å; L168-C171 PolarHBondContact O-N 2.95Å; C171-Q174 PolarHBondContact O-N 3.44Å; C171-L175 WeakPolarHBondContact O-CB 3.21Å; C171-L175 PolarHBondContact O-N 3.49Å
172L94.5Very high92.3Very high104 Ų10480.1 Ų80.155%0.54546%0.46SS..Hα-helixtrans-63.5-42.5174.6-72172.8000111.6L168 G169 L170 L175 E176L168-L172 HydrophobicContact CG-CD1 4.36Å; L168-L172 WeakPolarHBondContact O-CG 3.19Å; L168-L172 PolarHBondContact O-N 3.45Å; G169-L172 PolarHBondContact O-N 3.21Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-L172 PolarHBondContact O-N 3.02Å; L172-L175 PolarHBondContact O-N 3.48Å; L172-E176 PolarHBondContact O-N 3.09Å
173F94.7Very high91.7Very high124 Ų12484.9 Ų84.954%0.54449%0.486SS..Hα-helixtrans-63.7-45175176.4-103.5000112.2G169 L170 L175 E176 C177G169-F173 PolarHBondContact O-N 3.29Å; L170-F173 PolarHBondContact O-N 3.1Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.43Å; F173-E176 WeakPolarHBondContact O-CB 3.19Å; F173-E176 PolarHBondContact O-N 3.06Å; F173-C177 VanDerWaalsContact CZ-SG 3.59Å; F173-C177 PolarHBondContact O-N 2.73Å; F173-C177 PolarHBondContact O-SG 3.12Å
174Q95Very high90.4Very high107 Ų10792.4 Ų92.450%0.550%0.503SS..Hα-helixtrans-59.3-41.7175.7-73170.7-12.100111.8L170 C171 C177 A178L170-Q174 HydrophobicContact CD1-CG 4.36Å; L170-Q174 HydrophobicContact CG-CG 4.49Å; L170-Q174 VanDerWaalsContact O-CG 3.31Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 2.75Å; C171-Q174 PolarHBondContact O-N 3.44Å; Q174-C177 PolarHBondContact O-N 2.72Å; Q174-A178 WeakPolarHBondContact O-CB 3.46Å; Q174-A178 PolarHBondContact O-N 2.91Å
175L94.4Very high90.4Very high106 Ų10693 Ų9356%0.55550%0.5SS*.Hα-helixtrans-62.5-44.8175.5178.963000111.3C171 L172 F173 C177 A178 V179C171-L175 WeakPolarHBondContact O-CB 3.21Å; C171-L175 PolarHBondContact O-N 3.49Å; L172-L175 PolarHBondContact O-N 3.48Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.43Å; L175-C177 PolarHBondContact O-N 2.98Å; L175-A178 PolarHBondContact O-N 2.85Å; L175-V179 HydrophobicContact CD1-CG2 4.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.38Å; L175-V179 PolarHBondContact O-N 2.74Å
176E94.7Very high90.5Very high112 Ų11293.7 Ų93.752%0.52351%0.506SS..Hα-helixtrans-58.9-46.6176.8-173.3179.6176.100111.5L172 F173 A178 V179 Q180L172-E176 PolarHBondContact O-N 3.09Å; F173-E176 WeakPolarHBondContact O-CB 3.19Å; F173-E176 PolarHBondContact O-N 3.06Å; E176-A178 PolarHBondContact O-N 3.13Å; E176-V179 PolarHBondContact O-N 3.09Å; E176-Q180 WeakPolarHBondContact O-CG 3.49Å; E176-Q180 PolarHBondContact O-N 3.33Å
177C94.3Very high90.7Very high45 Ų4594.6 Ų94.630%0.30450%0.504SS..Hα-helixtrans-61.4-43.2175.8-67.20000112.3F173 Q174 L175 V179 Q180 V181F173-C177 VanDerWaalsContact CZ-SG 3.59Å; F173-C177 PolarHBondContact O-N 2.73Å; F173-C177 PolarHBondContact O-SG 3.12Å; Q174-C177 PolarHBondContact O-N 2.72Å; L175-C177 PolarHBondContact O-N 2.98Å; C177-V179 VanDerWaalsContact C-N 3.34Å; C177-V179 PolarHBondContact O-N 3.37Å; C177-Q180 PolarHBondContact O-N 2.94Å; C177-V181 WeakPolarHBondContact O-CG2 3.44Å; C177-V181 PolarHBondContact O-N 3.29Å
178A93.8Very high90.6Very high52 Ų5297.4 Ų97.443%0.4352%0.521SS..Hα-helixtrans-62.4-42.8178.500000111.6Q174 L175 E176 V181 C182Q174-A178 WeakPolarHBondContact O-CB 3.46Å; Q174-A178 PolarHBondContact O-N 2.91Å; L175-A178 PolarHBondContact O-N 2.85Å; E176-A178 PolarHBondContact O-N 3.13Å; A178-V181 PolarHBondContact O-N 3.28Å; A178-C182 PolarHBondContact O-N 2.94Å; A178-C182 VanDerWaalsContact O-N 3.09Å; A178-C182 PolarHBondContact O-SG 3.38Å; A178-C182 VanDerWaalsContact O-SG 3.33Å
179V93.7Very high90.5Very high72 Ų7299.2 Ų99.244%0.43653%0.531SS..Hα-helixtrans-62.8-42.7176.2170.20000111L175 E176 C177 V181 C182 I183L175-V179 HydrophobicContact CD1-CG2 4.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.38Å; L175-V179 PolarHBondContact O-N 2.74Å; E176-V179 PolarHBondContact O-N 3.09Å; C177-V179 VanDerWaalsContact C-N 3.34Å; C177-V179 PolarHBondContact O-N 3.37Å; V179-V181 VanDerWaalsContact C-N 3.34Å; V179-V181 PolarHBondContact O-N 3.14Å; V179-C182 PolarHBondContact O-N 3.1Å; V179-I183 HydrophobicContact CG1-CD1 3.65Å; V179-I183 HydrophobicContact CG1-CG1 4.44Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.35Å; V179-I183 PolarHBondContact O-N 3.04Å; V179-I183 VanDerWaalsContact O-N 3.17Å
180Q91.3Very high90.4Very high98 Ų98103.1 Ų103.146%0.45854%0.538SS..Hα-helixtrans-59.7-45.2176.6-73.1173.33.100111.5E176 C177 C182 I183 Y184E176-Q180 WeakPolarHBondContact O-CG 3.49Å; E176-Q180 PolarHBondContact O-N 3.33Å; C177-Q180 PolarHBondContact O-N 2.94Å; Q180-C182 VanDerWaalsContact C-N 3.27Å; Q180-C182 PolarHBondContact O-N 2.97Å; Q180-I183 PolarHBondContact O-N 2.8Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.23Å
181V91.1Very high90.1Very high109 Ų109105 Ų10566%0.66155%0.548SS*.Hα-helixtrans-63.2-32.4177.5174.50000112.1C177 A178 V179 I183C177-V181 WeakPolarHBondContact O-CG2 3.44Å; C177-V181 PolarHBondContact O-N 3.29Å; A178-V181 PolarHBondContact O-N 3.28Å; V179-V181 VanDerWaalsContact C-N 3.34Å; V179-V181 PolarHBondContact O-N 3.14Å; V181-I183 VanDerWaalsContact C-N 3.35Å
182C84.7Confident89.9Confident109 Ų109109.5 Ų109.574%0.73657%0.566SS**Hα-helixtrans-78-16.7178-67.90000114.4A178 V179 Q180A178-C182 PolarHBondContact O-N 2.94Å; A178-C182 VanDerWaalsContact O-N 3.09Å; A178-C182 PolarHBondContact O-SG 3.38Å; A178-C182 VanDerWaalsContact O-SG 3.33Å; V179-C182 PolarHBondContact O-N 3.1Å; Q180-C182 VanDerWaalsContact C-N 3.27Å; Q180-C182 PolarHBondContact O-N 2.97Å
183I82.2Confident89.5Confident128 Ų128109.9 Ų109.966%0.65657%0.568SS**Hα-helixtrans-88.4-17.7-180-68.4168.5000111.7V179 Q180 V181V179-I183 HydrophobicContact CG1-CD1 3.65Å; V179-I183 HydrophobicContact CG1-CG1 4.44Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.35Å; V179-I183 PolarHBondContact O-N 3.04Å; V179-I183 VanDerWaalsContact O-N 3.17Å; Q180-I183 PolarHBondContact O-N 2.8Å; V181-I183 VanDerWaalsContact C-N 3.35Å
184Y63.9Low89Confident257 Ų257108.6 Ų108.6100%1.00857%0.57SS**  trans-100.90175.1-69.7-71.6000112.1Q180Q180-Y184 WeakPolarHBondContact O-CD2 3.23Å

Retrieved 184 of 184 residues in 209.7 ms (Link to these results)