A0A077ZMD0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.4Low52.5Low239 Ų239178.8 Ų178.8100%1.17787%0.873SS**  0172.20-73.4176.175.900109.6
2L48Very low51.8Low159 Ų159172 Ų17283%0.83287%0.867SS**  trans-66145.6-169.1-62.370.1000113.2
3S49.2Very low51.6Low122 Ų122164.8 Ų164.885%0.85386%0.862SS**  -177.4150.7101.2-80.50000113.8
4R49.4Very low50.9Low247 Ų247164.9 Ų164.993%0.93286%0.864SS**  trans-114.7148.6-174.7-62.9165160.9178.8-7.2110.7
5S57Low50.7Low110 Ų110160.1 Ų160.177%0.76985%0.85SS**  trans-163124.8143.6-131.30000109.2
6R57.7Low50.5Low220 Ų220159.8 Ų159.883%0.8386%0.855SS**  49.6131.166.8-75.7-174.2174.1-174.1-0.1111.4
7R53.8Low50.4Low224 Ų224155.8 Ų155.885%0.84584%0.838SS**  cis-133.1179.6-2.6-84.8161.6164.6158.5-7.4105.9
8R58.1Low50.4Low226 Ų226151 Ų15185%0.85382%0.815SS**  cis-153.7171.110.5-149.5174.4-176.8161-1.5107.7
9K51.9Low50.3Low210 Ų210155.5 Ų155.591%0.91382%0.821SS**  trans-128.6129.9151.2-109.8-176.2177.1-177.90107.7
10G49.4Very low50.3Low74 Ų74157.6 Ų157.676%0.76382%0.817SS**  trans-110.5113-174.900000111.6
11T52.3Low50.2Low136 Ų136155.2 Ų155.283%0.83480%0.802SS**  trans-17.8129.3162.4-53.20000119.4
12A43.9Very low50.1Low97 Ų97152 Ų15280%0.80278%0.782SS**  trans32.6136.8138.100000122.6
13G48.8Very low50.1Low78 Ų78151.5 Ų151.580%0.80478%0.775SS**  trans-16292.7160.100000110
14N41.9Very low50.3Low167 Ų167152 Ų15289%0.89377%0.766SS**  trans-66.7137.5170.2-70.6-5.7000109.5
15S47.8Very low50.4Low92 Ų92143.1 Ų143.164%0.64375%0.745SS**  trans-161.5118.9135.6-154.50000111.8V17S15-V17 VanDerWaalsContact C-N 3.29Å; S15-V17 PolarHBondContact O-N 3.24Å; S15-V17 WeakPolarHBondContact OG-CB 3.45Å; S15-V17 WeakPolarHBondContact OG-CG2 3.34Å
16V47Very low50.1Low155 Ų155144.4 Ų144.494%0.93974%0.739SS**  trans-91.671.2168.6174.30000107.4
17V48.9Very low49.8Very low93 Ų93137.4 Ų137.456%0.56473%0.728SS**  trans-155.9122.9-176.61740000105S15S15-V17 VanDerWaalsContact C-N 3.29Å; S15-V17 PolarHBondContact O-N 3.24Å; S15-V17 WeakPolarHBondContact OG-CB 3.45Å; S15-V17 WeakPolarHBondContact OG-CG2 3.34Å
18T51.9Low49.7Very low69 Ų69133.2 Ų133.242%0.42372%0.722SS.*  cis-163.6106.63.118.70000107.8R20 E21T18-R20 PolarHBondContact O-N 3.13Å; T18-R20 VanDerWaalsContact O-N 3.13Å; T18-E21 VanDerWaalsContact CB-OE2 3.29Å; T18-E21 WeakPolarHBondContact CB-OE2 3.29Å; T18-E21 HydrophobicContact CG2-CG 3.95Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.48Å; T18-E21 PolarHBondContact OG1-OE2 3.3Å
19Y47.1Very low49.5Very low236 Ų236131.4 Ų131.493%0.92572%0.716SS**THydrogen-bonded Turntrans-67.8-8.9171.4-81.2-81.4000113.2
20R50.3Low49.5Very low198 Ų198130.2 Ų130.275%0.74771%0.71SS**THydrogen-bonded Turntrans-101.6-16.2-177.8-146.4172.7-169.5156.43.3115T18 M24T18-R20 PolarHBondContact O-N 3.13Å; T18-R20 VanDerWaalsContact O-N 3.13Å; R20-M24 WeakPolarHBondContact O-CE 3.5Å
21E48.7Very low49.5Very low108 Ų108133.2 Ų133.251%0.50571%0.709SS.*Hα-helixtrans-83.5-28.3172.5-75.3-178.3117.800111.9T18 E23 M24 A25T18-E21 VanDerWaalsContact CB-OE2 3.29Å; T18-E21 WeakPolarHBondContact CB-OE2 3.29Å; T18-E21 HydrophobicContact CG2-CG 3.95Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.48Å; T18-E21 PolarHBondContact OG1-OE2 3.3Å; E21-E23 PolarHBondContact O-N 2.54Å; E21-M24 HydrophobicContact CG-CE 4.42Å; E21-M24 PolarHBondContact O-N 3.18Å; E21-A25 PolarHBondContact O-N 3.23Å
22K49.6Very low49.4Very low171 Ų171130.5 Ų130.574%0.74371%0.708SS**Hα-helixtrans-67.2-19.1177.4-139.8178-175.7-174.20113.4
23E48.5Very low49.8Very low149 Ų149129.2 Ų129.270%0.69670%0.697SS**Hα-helixtrans-89.7-27.1176.2-155177.2172.500112.4E21E21-E23 PolarHBondContact O-N 2.54Å
24M52Low50Low132 Ų132133 Ų13365%0.6569%0.694SS**Hα-helixtrans-80.7-22.4175-69.1-172.7-72.300113.2R20 E21 E26R20-M24 WeakPolarHBondContact O-CE 3.5Å; E21-M24 HydrophobicContact CG-CE 4.42Å; E21-M24 PolarHBondContact O-N 3.18Å; M24-E26 VanDerWaalsContact C-N 3.35Å
25A53.1Low50.5Low60 Ų60127.5 Ų127.550%0.49668%0.677SS.*SBendtrans-81.2-7.7176.500000114.8E21E21-A25 PolarHBondContact O-N 3.23Å
26E48.7Very low51.1Low137 Ų137128.1 Ų128.164%0.6467%0.673SS**SBendtrans-95.9-20.3179-152.176.8-123.500112.1M24 R29M24-E26 VanDerWaalsContact C-N 3.35Å; E26-R29 IonicContact OE1-NH1 3.5Å; E26-R29 PolarHBondContact OE1-NH1 3.5Å
27A51.9Low51.9Low73 Ų73125.1 Ų125.160%0.60365%0.652SS**SBendtrans-78.7-26.5-174.400000114.5
28D51.4Low53Low136 Ų136125.8 Ų125.873%0.72765%0.652SS**G310 helixtrans-85.7-12.2-169.7-158.944.2000114.3K30D28-K30 VanDerWaalsContact C-N 3.3Å; D28-K30 PolarHBondContact O-N 3.37Å
29R54Low54.1Low189 Ų189129.2 Ų129.271%0.71366%0.663SS**G310 helixtrans-79.9-3.6-179.8-65-160.6-166.196.37.6114.9E26E26-R29 IonicContact OE1-NH1 3.5Å; E26-R29 PolarHBondContact OE1-NH1 3.5Å
30K51.6Low55.5Low184 Ų184121.7 Ų121.780%0.864%0.642SS**G310 helixtrans-87.8-8.1-167.9-144.2178.7180-175.20115.5D28D28-K30 VanDerWaalsContact C-N 3.3Å; D28-K30 PolarHBondContact O-N 3.37Å
31N51.1Low56.9Low138 Ų138116.7 Ų116.774%0.73863%0.629SS**G310 helixtrans-103.76.4-172.1-59.5-29.6000114.4
32G50Low58.4Low78 Ų78118.3 Ų118.380%0.80464%0.636SS**SBendtrans-97.2-1-174.100000116.6
33A52.6Low59.9Low70 Ų70113 Ų11358%0.57963%0.625SS**SBendtrans-107.2-12.9-166.800000115.6N37A33-N37 PolarHBondContact O-ND2 3.49Å
34E51.8Low61.6Low157 Ų157109.8 Ų109.873%0.73462%0.615SS**SBendtrans-87.7-25.6-172.8-69.9-175.3141.100114.2N36 N37E34-N36 PolarHBondContact O-N 3.26Å; E34-N37 PolarHBondContact O-N 3.31Å
35G53.4Low63.3Low53 Ų53108 Ų10855%0.54661%0.608SS.*Hα-helixtrans-64.5-38.6-17600000114.8N37G35-N37 PolarHBondContact O-N 3.43Å
36N60.1Low64.8Low105 Ų105110.9 Ų110.956%0.56161%0.611SS**Hα-helixtrans-67.1-33.7-177-173.314.1000112.7E34 N38 E39 V40E34-N36 PolarHBondContact O-N 3.26Å; N36-N38 VanDerWaalsContact C-N 3.28Å; N36-N38 PolarHBondContact O-N 3.44Å; N36-E39 PolarHBondContact O-N 3.25Å; N36-V40 WeakPolarHBondContact O-CG2 3.35Å; N36-V40 PolarHBondContact O-N 2.97Å; N36-V40 VanDerWaalsContact O-N 3.09Å
37N63.8Low66.7Low91 Ų91109.2 Ų109.249%0.48761%0.606SS.*Hα-helixtrans-65.1-34.6-175.1-60-41.4000111.9A33 E34 G35 I41A33-N37 PolarHBondContact O-ND2 3.49Å; E34-N37 PolarHBondContact O-N 3.31Å; G35-N37 PolarHBondContact O-N 3.43Å; N37-I41 WeakPolarHBondContact O-CB 3.17Å; N37-I41 WeakPolarHBondContact O-CD1 3.41Å; N37-I41 WeakPolarHBondContact O-CG1 3.42Å; N37-I41 PolarHBondContact O-N 3.45Å
38N72.2Confident68.1Low108 Ų108109.3 Ų109.358%0.57860%0.599SS**Hα-helixtrans-68.4-44.1178.4-68-17.2000111.7N36 V40 I41 E42N36-N38 VanDerWaalsContact C-N 3.28Å; N36-N38 PolarHBondContact O-N 3.44Å; N38-V40 VanDerWaalsContact C-N 3.34Å; N38-V40 PolarHBondContact O-N 3.23Å; N38-I41 PolarHBondContact O-N 3.45Å; N38-E42 PolarHBondContact O-N 3.09Å
39E75Confident69.7Low141 Ų141107.1 Ų107.166%0.65959%0.591SS**Hα-helixtrans-61.7-40.9175.8-66.9-175.5173.600111.8N36 E42 A43N36-E39 PolarHBondContact O-N 3.25Å; E39-E42 PolarHBondContact O-N 3.32Å; E39-A43 VanDerWaalsContact O-CB 3.31Å; E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 3.04Å
40V75.1Confident71.2Confident77 Ų77103 Ų10347%0.46758%0.579SS.*Hα-helixtrans-64.8-42.2175.6173.90000111.4N36 N38 A43 V44N36-V40 WeakPolarHBondContact O-CG2 3.35Å; N36-V40 PolarHBondContact O-N 2.97Å; N36-V40 VanDerWaalsContact O-N 3.09Å; N38-V40 VanDerWaalsContact C-N 3.34Å; N38-V40 PolarHBondContact O-N 3.23Å; V40-A43 PolarHBondContact O-N 2.88Å; V40-V44 VanDerWaalsContact O-CG2 3.31Å; V40-V44 WeakPolarHBondContact O-CG2 3.2Å; V40-V44 PolarHBondContact O-N 2.94Å
41I79.9Confident72.5Confident93 Ų9398.3 Ų98.348%0.47756%0.563SS.*Hα-helixtrans-64.6-43.9176.8-70.9163.5000110.9N37 N38 V44 N45N37-I41 WeakPolarHBondContact O-CB 3.17Å; N37-I41 WeakPolarHBondContact O-CD1 3.41Å; N37-I41 WeakPolarHBondContact O-CG1 3.42Å; N37-I41 PolarHBondContact O-N 3.45Å; N38-I41 PolarHBondContact O-N 3.45Å; I41-V44 PolarHBondContact O-N 3.19Å; I41-N45 WeakPolarHBondContact O-CB 3.43Å; I41-N45 VanDerWaalsContact O-CG 3.23Å; I41-N45 PolarHBondContact O-N 3.13Å; I41-N45 PolarHBondContact O-ND2 2.88Å
42E81.2Confident74Confident142 Ų14295.6 Ų95.666%0.66455%0.551SS**Hα-helixtrans-62.8-43.4175.2-74.9-169170.900112.1N38 E39 V44 N45 H46N38-E42 PolarHBondContact O-N 3.09Å; E39-E42 PolarHBondContact O-N 3.32Å; E42-V44 PolarHBondContact O-N 3.3Å; E42-N45 PolarHBondContact O-N 3.31Å; E42-H46 WeakPolarHBondContact O-CB 3.36Å; E42-H46 PolarHBondContact O-N 2.83Å
43A81.6Confident75.6Confident61 Ų6194.5 Ų94.550%0.50454%0.535SS..Hα-helixtrans-61.6-41.8176.900000112.4E39 V40 H46 L47E39-A43 VanDerWaalsContact O-CB 3.31Å; E39-A43 WeakPolarHBondContact O-CB 3.44Å; E39-A43 PolarHBondContact O-N 3.04Å; V40-A43 PolarHBondContact O-N 2.88Å; A43-H46 PolarHBondContact O-N 3.24Å; A43-L47 WeakPolarHBondContact O-CB 3.17Å; A43-L47 PolarHBondContact O-N 3.45Å
44V83.9Confident76.9Confident81 Ų8195.7 Ų95.749%0.49154%0.535SS..Hα-helixtrans-65.5-44.3175.4169.20000111.4V40 I41 E42 H46 L47 T48V40-V44 VanDerWaalsContact O-CG2 3.31Å; V40-V44 WeakPolarHBondContact O-CG2 3.2Å; V40-V44 PolarHBondContact O-N 2.94Å; I41-V44 PolarHBondContact O-N 3.19Å; E42-V44 PolarHBondContact O-N 3.3Å; V44-H46 PolarHBondContact O-N 3.15Å; V44-L47 PolarHBondContact O-N 2.93Å; V44-T48 WeakPolarHBondContact O-CB 3.31Å; V44-T48 PolarHBondContact O-N 2.86Å; V44-T48 PolarHBondContact O-OG1 2.95Å
45N86Confident78.4Confident94 Ų9494.2 Ų94.250%0.50353%0.526SS..Hα-helixtrans-63.2-41.4177.1-73.3-26.1000111.8I41 E42 T48 T49I41-N45 WeakPolarHBondContact O-CB 3.43Å; I41-N45 VanDerWaalsContact O-CG 3.23Å; I41-N45 PolarHBondContact O-N 3.13Å; I41-N45 PolarHBondContact O-ND2 2.88Å; E42-N45 PolarHBondContact O-N 3.31Å; N45-T48 PolarHBondContact O-N 3.37Å; N45-T49 WeakPolarHBondContact O-CB 3.27Å; N45-T49 PolarHBondContact O-N 3.49Å; N45-T49 PolarHBondContact O-OG1 3.42Å
46H86.2Confident79.7Confident121 Ų12195.3 Ų95.356%0.5652%0.523SS*.Hα-helixtrans-66.5-41.3176.9-176.4-120000112.2E42 A43 V44 T49 Q50E42-H46 WeakPolarHBondContact O-CB 3.36Å; E42-H46 PolarHBondContact O-N 2.83Å; A43-H46 PolarHBondContact O-N 3.24Å; V44-H46 PolarHBondContact O-N 3.15Å; H46-T49 PolarHBondContact O-N 2.99Å; H46-Q50 PolarHBondContact CE1-NE2 2.95Å; H46-Q50 PolarHBondContact ND1-NE2 3.3Å; H46-Q50 PolarHBondContact O-N 2.76Å
47L87Confident80.7Confident102 Ų10294.3 Ų94.353%0.53452%0.524SS..Hα-helixtrans-64.6-43.6175.118060.2000111.8A43 V44 T49 Q50 L51A43-L47 WeakPolarHBondContact O-CB 3.17Å; A43-L47 PolarHBondContact O-N 3.45Å; V44-L47 PolarHBondContact O-N 2.93Å; L47-T49 VanDerWaalsContact C-N 3.33Å; L47-T49 PolarHBondContact O-N 3.46Å; L47-Q50 PolarHBondContact O-N 2.85Å; L47-L51 HydrophobicContact CD1-CD1 4.32Å; L47-L51 HydrophobicContact CG-CD1 4.16Å; L47-L51 PolarHBondContact O-N 2.9Å
48T81.8Confident81.7Confident75 Ų7595.1 Ų95.146%0.4653%0.528SS..Hα-helixtrans-59.8-45.2175.6-58.50000110.5V44 N45 Q50 L51 T52V44-T48 WeakPolarHBondContact O-CB 3.31Å; V44-T48 PolarHBondContact O-N 2.86Å; V44-T48 PolarHBondContact O-OG1 2.95Å; N45-T48 PolarHBondContact O-N 3.37Å; T48-Q50 PolarHBondContact O-N 2.9Å; T48-L51 PolarHBondContact O-N 3.49Å; T48-T52 PolarHBondContact O-N 2.97Å; T48-T52 PolarHBondContact O-OG1 3.26Å
49T86.3Confident82.2Confident90 Ų9093.7 Ų93.755%0.55252%0.519SS*.Hα-helixtrans-61-45.4177.2-56.70000112.1N45 H46 L47 T52 A53N45-T49 WeakPolarHBondContact O-CB 3.27Å; N45-T49 PolarHBondContact O-N 3.49Å; N45-T49 PolarHBondContact O-OG1 3.42Å; H46-T49 PolarHBondContact O-N 2.99Å; L47-T49 VanDerWaalsContact C-N 3.33Å; L47-T49 PolarHBondContact O-N 3.46Å; T49-T52 PolarHBondContact O-N 3.06Å; T49-A53 WeakPolarHBondContact O-CB 3.45Å; T49-A53 PolarHBondContact O-N 3.41Å
50Q84Confident82.4Confident101 Ų10190.9 Ų90.947%0.47251%0.509SS..Hα-helixtrans-63.3-43.1176.6-79.8-175.479.300112.7H46 L47 T48 A53 T54H46-Q50 PolarHBondContact CE1-NE2 2.95Å; H46-Q50 PolarHBondContact ND1-NE2 3.3Å; H46-Q50 PolarHBondContact O-N 2.76Å; L47-Q50 PolarHBondContact O-N 2.85Å; T48-Q50 PolarHBondContact O-N 2.9Å; Q50-A53 PolarHBondContact O-N 3.21Å; Q50-T54 WeakPolarHBondContact O-CB 3.34Å; Q50-T54 PolarHBondContact O-N 3.05Å; Q50-T54 PolarHBondContact O-OG1 3.08Å
51L79.4Confident82.7Confident86 Ų8688.7 Ų88.745%0.4550%0.502SS..Hα-helixtrans-61-49.2175.6-79.7165.6000110.8L47 T48 A53 T54 F55L47-L51 HydrophobicContact CD1-CD1 4.32Å; L47-L51 HydrophobicContact CG-CD1 4.16Å; L47-L51 PolarHBondContact O-N 2.9Å; T48-L51 PolarHBondContact O-N 3.49Å; L51-A53 PolarHBondContact O-N 3.34Å; L51-T54 PolarHBondContact O-N 3.27Å; L51-F55 HydrophobicContact CD2-CE2 4.21Å; L51-F55 WeakPolarHBondContact O-CD2 3.32Å; L51-F55 PolarHBondContact O-N 3.27Å
52T83.5Confident82.7Confident81 Ų8189.6 Ų89.650%0.49751%0.507SS..Hα-helixtrans-57.7-47.6178.1-56.80000111.8T48 T49 T54 F55 T56T48-T52 PolarHBondContact O-N 2.97Å; T48-T52 PolarHBondContact O-OG1 3.26Å; T49-T52 PolarHBondContact O-N 3.06Å; T52-T54 VanDerWaalsContact C-N 3.31Å; T52-T54 PolarHBondContact O-N 3.4Å; T52-F55 PolarHBondContact O-N 3.32Å; T52-T56 HydrophobicContact CG2-CG2 4.48Å; T52-T56 WeakPolarHBondContact O-CG2 3.39Å; T52-T56 PolarHBondContact O-N 2.89Å; T52-T56 PolarHBondContact O-OG1 3.29Å; T52-T56 VanDerWaalsContact O-OG1 3.13Å
53A82.4Confident82.6Confident55 Ų5590.2 Ų90.246%0.45550%0.503SS..Hα-helixtrans-63.5-34.8178.500000113.1T49 Q50 L51 T56 S57T49-A53 WeakPolarHBondContact O-CB 3.45Å; T49-A53 PolarHBondContact O-N 3.41Å; Q50-A53 PolarHBondContact O-N 3.21Å; L51-A53 PolarHBondContact O-N 3.34Å; A53-T56 PolarHBondContact O-OG1 3.33Å; A53-S57 VanDerWaalsContact O-CB 3.31Å; A53-S57 WeakPolarHBondContact O-CB 3.2Å; A53-S57 PolarHBondContact O-N 3.02Å
54T81.1Confident82.6Confident96 Ų9694.4 Ų94.459%0.58951%0.51SS*.Hα-helixtrans-69.7-44.7176.6-55.60000111Q50 L51 T52 L58Q50-T54 WeakPolarHBondContact O-CB 3.34Å; Q50-T54 PolarHBondContact O-N 3.05Å; Q50-T54 PolarHBondContact O-OG1 3.08Å; L51-T54 PolarHBondContact O-N 3.27Å; T52-T54 VanDerWaalsContact C-N 3.31Å; T52-T54 PolarHBondContact O-N 3.4Å; T54-L58 WeakPolarHBondContact O-CB 3.37Å; T54-L58 PolarHBondContact O-N 2.91Å
55F81.8Confident82.3Confident125 Ų12597 Ų9755%0.54852%0.517SS..Hα-helixtrans-66-42.1177.5-80-63.1000113L51 T52 L58 I59L51-F55 HydrophobicContact CD2-CE2 4.21Å; L51-F55 WeakPolarHBondContact O-CD2 3.32Å; L51-F55 PolarHBondContact O-N 3.27Å; T52-F55 PolarHBondContact O-N 3.32Å; F55-L58 PolarHBondContact O-N 3.44Å; F55-I59 VanDerWaalsContact O-CG1 3.28Å; F55-I59 WeakPolarHBondContact O-CG1 3.4Å; F55-I59 PolarHBondContact O-N 2.91Å
56T80.6Confident81.7Confident76 Ų7698.6 Ų98.647%0.46653%0.525SS..Hα-helixtrans-65.2-42.2177.852.50000111.8T52 A53 L58 I59 D60T52-T56 HydrophobicContact CG2-CG2 4.48Å; T52-T56 WeakPolarHBondContact O-CG2 3.39Å; T52-T56 PolarHBondContact O-N 2.89Å; T52-T56 PolarHBondContact O-OG1 3.29Å; T52-T56 VanDerWaalsContact O-OG1 3.13Å; A53-T56 PolarHBondContact O-OG1 3.33Å; T56-L58 PolarHBondContact O-N 2.94Å; T56-I59 PolarHBondContact O-N 2.77Å; T56-D60 PolarHBondContact O-N 3.29Å
57S83Confident81.3Confident85 Ų8597.5 Ų97.559%0.59453%0.526SS*.Hα-helixtrans-59.5-43.4174.2-172.80000112.3A53 D60 G61A53-S57 VanDerWaalsContact O-CB 3.31Å; A53-S57 WeakPolarHBondContact O-CB 3.2Å; A53-S57 PolarHBondContact O-N 3.02Å; S57-D60 PolarHBondContact O-N 3.06Å; S57-G61 PolarHBondContact O-N 3Å
58L83.5Confident80.6Confident107 Ų10795 Ų9556%0.5652%0.52SS*.Hα-helixtrans-61.7-46.8175.9-16989.4000111.9T54 F55 T56 G61 L62T54-L58 WeakPolarHBondContact O-CB 3.37Å; T54-L58 PolarHBondContact O-N 2.91Å; F55-L58 PolarHBondContact O-N 3.44Å; T56-L58 PolarHBondContact O-N 2.94Å; L58-G61 PolarHBondContact O-N 3.15Å; L58-L62 HydrophobicContact CD2-CD1 4.49Å; L58-L62 HydrophobicContact CG-CD1 4.42Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 3.43Å
59I82.1Confident80Confident79 Ų7994.3 Ų94.341%0.40552%0.522SS..Hα-helixtrans-63.4-42.3-179.9-70.1165.2000111F55 T56 G61 L62 R63F55-I59 VanDerWaalsContact O-CG1 3.28Å; F55-I59 WeakPolarHBondContact O-CG1 3.4Å; F55-I59 PolarHBondContact O-N 2.91Å; T56-I59 PolarHBondContact O-N 2.77Å; I59-G61 VanDerWaalsContact C-N 3.34Å; I59-L62 PolarHBondContact O-N 3.19Å; I59-R63 WeakPolarHBondContact O-CB 3.31Å; I59-R63 VanDerWaalsContact O-CG 3.28Å; I59-R63 WeakPolarHBondContact O-CG 3.27Å; I59-R63 PolarHBondContact O-N 2.95Å
60D80.7Confident78.6Confident81 Ų81100.2 Ų100.243%0.43354%0.535SS..Hα-helixtrans-69-32.2176.6-86.2-0.8000112.6T56 S57 R63 K64T56-D60 PolarHBondContact O-N 3.29Å; S57-D60 PolarHBondContact O-N 3.06Å; D60-R63 IonicContact OD1-NH1 3.76Å; D60-K64 VanDerWaalsContact O-CG 3.3Å; D60-K64 WeakPolarHBondContact O-CG 3.32Å; D60-K64 PolarHBondContact O-N 3.28Å; D60-K64 VanDerWaalsContact O-N 3.08Å
61G81.6Confident77.4Confident32 Ų3299.2 Ų99.233%0.3354%0.539SS..Hα-helixtrans-60.2-54.4168.900000111.7S57 L58 I59 R63 K64 E65S57-G61 PolarHBondContact O-N 3Å; L58-G61 PolarHBondContact O-N 3.15Å; I59-G61 VanDerWaalsContact C-N 3.34Å; G61-R63 VanDerWaalsContact C-N 3.29Å; G61-R63 PolarHBondContact O-N 2.93Å; G61-K64 PolarHBondContact O-N 3.09Å; G61-K64 VanDerWaalsContact O-N 3.11Å; G61-E65 PolarHBondContact O-N 3.48Å
62L78.4Confident76.2Confident111 Ų111103.2 Ų103.258%0.58156%0.555SS**Hα-helixtrans-60.5-36178.6-68.4172.3000112.7L58 I59 L66L58-L62 HydrophobicContact CD2-CD1 4.49Å; L58-L62 HydrophobicContact CG-CD1 4.42Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 3.43Å; I59-L62 PolarHBondContact O-N 3.19Å; L62-L66 WeakPolarHBondContact O-CB 3.23Å; L62-L66 PolarHBondContact O-N 3.37Å
63R80.8Confident74.7Confident155 Ų155104.5 Ų104.559%0.58557%0.567SS**Hα-helixtrans-65.6-40.3174.3-77.3171.2170.8179.5-4112.6I59 D60 G61 L66 V67I59-R63 WeakPolarHBondContact O-CB 3.31Å; I59-R63 VanDerWaalsContact O-CG 3.28Å; I59-R63 WeakPolarHBondContact O-CG 3.27Å; I59-R63 PolarHBondContact O-N 2.95Å; D60-R63 IonicContact OD1-NH1 3.76Å; G61-R63 VanDerWaalsContact C-N 3.29Å; G61-R63 PolarHBondContact O-N 2.93Å; R63-L66 PolarHBondContact O-N 2.92Å; R63-V67 WeakPolarHBondContact O-CG2 3.4Å; R63-V67 PolarHBondContact O-N 2.87Å; R63-V67 VanDerWaalsContact O-N 3.11Å
64K81.6Confident73Confident150 Ų150112.9 Ų112.965%0.65259%0.587SS**Hα-helixtrans-65-46.3176-74168-176.6173.70111.1D60 G61 L66 V67 A68D60-K64 VanDerWaalsContact O-CG 3.3Å; D60-K64 WeakPolarHBondContact O-CG 3.32Å; D60-K64 PolarHBondContact O-N 3.28Å; D60-K64 VanDerWaalsContact O-N 3.08Å; G61-K64 PolarHBondContact O-N 3.09Å; G61-K64 VanDerWaalsContact O-N 3.11Å; K64-L66 PolarHBondContact O-N 3.27Å; K64-V67 PolarHBondContact O-N 3.23Å; K64-A68 WeakPolarHBondContact O-CB 3.36Å; K64-A68 PolarHBondContact O-N 2.88Å
65E75.8Confident71.3Confident135 Ų135117 Ų11763%0.63160%0.6SS**Hα-helixtrans-59.3-44.4175.6-69.4-62.310800112G61 V67 A68 A69G61-E65 PolarHBondContact O-N 3.48Å; E65-V67 VanDerWaalsContact C-N 3.32Å; E65-V67 PolarHBondContact O-N 3.3Å; E65-A68 PolarHBondContact O-N 3.32Å; E65-A69 WeakPolarHBondContact O-CB 3.34Å; E65-A69 PolarHBondContact O-N 3.04Å
66L74.2Confident69.7Low128 Ų128118.6 Ų118.667%0.6761%0.613SS**Hα-helixtrans-62.9-36.5177.9-174.664.6000112.7L62 R63 K64 R70L62-L66 WeakPolarHBondContact O-CB 3.23Å; L62-L66 PolarHBondContact O-N 3.37Å; R63-L66 PolarHBondContact O-N 2.92Å; K64-L66 PolarHBondContact O-N 3.27Å; L66-R70 VanDerWaalsContact O-CB 3.28Å; L66-R70 WeakPolarHBondContact O-CB 3.35Å; L66-R70 PolarHBondContact O-N 3.43Å
67V77.5Confident68.6Low97 Ų97120.2 Ų120.259%0.58863%0.625SS**Hα-helixtrans-73.1-37.7175.11720000111.6R63 K64 E65 S71R63-V67 WeakPolarHBondContact O-CG2 3.4Å; R63-V67 PolarHBondContact O-N 2.87Å; R63-V67 VanDerWaalsContact O-N 3.11Å; K64-V67 PolarHBondContact O-N 3.23Å; E65-V67 VanDerWaalsContact C-N 3.32Å; E65-V67 PolarHBondContact O-N 3.3Å; V67-S71 PolarHBondContact O-N 3.49Å; V67-S71 VanDerWaalsContact O-N 3.13Å; V67-S71 PolarHBondContact O-OG 3.32Å
68A72.7Confident66.7Low49 Ų49122.1 Ų122.141%0.40564%0.636SS.*Hα-helixtrans-64.3-52.9175.500000111.3K64 E65 R70 S71 E72K64-A68 WeakPolarHBondContact O-CB 3.36Å; K64-A68 PolarHBondContact O-N 2.88Å; E65-A68 PolarHBondContact O-N 3.32Å; A68-R70 VanDerWaalsContact C-N 3.28Å; A68-R70 PolarHBondContact O-N 2.92Å; A68-S71 WeakPolarHBondContact O-CA 3.44Å; A68-S71 WeakPolarHBondContact O-CB 3.11Å; A68-S71 PolarHBondContact O-N 2.98Å; A68-E72 PolarHBondContact O-N 2.94Å
69A69.2Low65Low61 Ų61126.2 Ų126.250%0.50465%0.649SS.*Hα-helixtrans-58.8-37.517800000112.7E65 S71 S73E65-A69 WeakPolarHBondContact O-CB 3.34Å; E65-A69 PolarHBondContact O-N 3.04Å; A69-S71 VanDerWaalsContact C-N 3.28Å; A69-S71 PolarHBondContact O-N 2.97Å; A69-S73 PolarHBondContact O-N 2.98Å
70R56.9Low63.3Low215 Ų215130.3 Ų130.381%0.81167%0.666SS**Hα-helixtrans-69.5-24.2174.7-170.1172.2-173.6172.23.8113.3L66 A68L66-R70 VanDerWaalsContact O-CB 3.28Å; L66-R70 WeakPolarHBondContact O-CB 3.35Å; L66-R70 PolarHBondContact O-N 3.43Å; A68-R70 VanDerWaalsContact C-N 3.28Å; A68-R70 PolarHBondContact O-N 2.92Å
71S58.1Low62Low80 Ų80133.3 Ų133.356%0.55968%0.682SS**Hα-helixtrans-81.9-41.3176-56.30000111.4V67 A68 A69 S73 R74V67-S71 PolarHBondContact O-N 3.49Å; V67-S71 VanDerWaalsContact O-N 3.13Å; V67-S71 PolarHBondContact O-OG 3.32Å; A68-S71 WeakPolarHBondContact O-CA 3.44Å; A68-S71 WeakPolarHBondContact O-CB 3.11Å; A68-S71 PolarHBondContact O-N 2.98Å; A69-S71 VanDerWaalsContact C-N 3.28Å; A69-S71 PolarHBondContact O-N 2.97Å; S71-S73 VanDerWaalsContact C-N 3.31Å; S71-S73 PolarHBondContact O-N 2.93Å; S71-R74 PolarHBondContact O-N 3.38Å
72E55.6Low60.2Low169 Ų169137.9 Ų137.979%0.7970%0.699SS**Hα-helixtrans-64.2-33.5179.8-162.8168.3106.300112.6A68 R74A68-E72 PolarHBondContact O-N 2.94Å; E72-R74 PolarHBondContact O-N 3.47Å
73S50.4Low58.9Low108 Ų108138.8 Ų138.876%0.75571%0.709SS**THydrogen-bonded Turntrans-70.73.3179-168.20000115.6A69 S71A69-S73 PolarHBondContact O-N 2.98Å; S71-S73 VanDerWaalsContact C-N 3.31Å; S71-S73 PolarHBondContact O-N 2.93Å
74R48.3Very low57Low231 Ų231136 Ų13687%0.87271%0.714SS**THydrogen-bonded Turntrans-105.6-2.7-176.3-166.7167171.9177-3.2114.6S71 E72S71-R74 PolarHBondContact O-N 3.38Å; E72-R74 PolarHBondContact O-N 3.47Å
75E43.7Very low55.4Low182 Ų182135 Ų13585%0.8572%0.72SS**  trans-100.882.6-179.1-160.5170121.400112.6
76L50.2Low53.9Low160 Ų160133.1 Ų133.184%0.83872%0.722SS**  trans-125.6125.2165.5-80.9171.8000110
77P56.2Low52.5Low110 Ų110133.5 Ų133.571%0.71472%0.724SS**  trans-78147.1-172.530.7-35.3000112.6K79P77-K79 PolarHBondContact O-N 3.46Å
78P42.6Very low50.9Low125 Ų125134.8 Ų134.881%0.81273%0.733SS**  trans-75.4107.4179.230.7-33.2000110.6Q80P78-Q80 PolarHBondContact O-N 3.34Å
79K49.2Very low49.9Very low193 Ų193139.6 Ų139.684%0.83975%0.75SS**  trans-79.2106.2166.5-99.4-169.4171.4-174.70110.3P77 N81P77-K79 PolarHBondContact O-N 3.46Å; K79-N81 PolarHBondContact O-N 2.94Å
80Q45.9Very low48.9Very low164 Ų164143.8 Ų143.877%0.76676%0.764SS**  trans-57.8121.3162-76.2169.6-11700110.1P78P78-Q80 PolarHBondContact O-N 3.34Å
81N52.4Low48.2Very low145 Ų145137.8 Ų137.878%0.77576%0.76SS**  trans-122.587.3164.2-65-2.5000107.2K79K79-N81 PolarHBondContact O-N 2.94Å
82D43.8Very low47.6Very low128 Ų128141.4 Ų141.468%0.68477%0.768SS**  trans-64.4146.3170.9-66.8-69.5000110.9
83T50.9Low47.6Very low129 Ų129138.5 Ų138.579%0.79176%0.764SS**  trans138.7125.7139.4-58.80000115.1
84S41.1Very low47.8Very low97 Ų97139.4 Ų139.468%0.67877%0.768SS**  trans75.5102.5156.9-73.60000122.5
85V48Very low47.6Very low130 Ų130132.5 Ų132.579%0.78876%0.755SS**  20.9134.1121.4-63.30000118
86S45.1Very low47.7Very low95 Ų95129.8 Ų129.866%0.66475%0.751SS**  -177.2159.853.4-147.70000113
87N45.5Very low47.6Very low135 Ų135128.6 Ų128.672%0.72275%0.75SS**  trans75.6116.6163.8-46.4-13.2000115.4
88T43Very low47Very low125 Ų125128.6 Ų128.677%0.76775%0.747SS**  60.1111.660-45.40000109.2
89I51.8Low47.2Very low150 Ų150127.3 Ų127.377%0.76975%0.747SS**  cis-149.215225.6-1.9-172.9000105.9
90D47.3Very low47.3Very low148 Ų148124.2 Ų124.279%0.79174%0.744SS**  174.4-175.376.1-152.2-79000108.4
91A42.5Very low48.1Very low89 Ų89118.8 Ų118.874%0.73673%0.733SS**  trans-83.3131.9-161.800000116.9
92Q46.7Very low49.5Very low157 Ų157115.4 Ų115.473%0.73472%0.715SS**  trans-154.2132146-160174.9-42.900111.3
93P55.2Low51.4Low107 Ų107111.9 Ų111.970%0.69570%0.698SS**PPolyproline II helixtrans-67.8144.1168.429.2-33.9000110S95P93-S95 PolarHBondContact O-N 3.07Å; P93-S95 VanDerWaalsContact O-N 3.1Å
94P54.1Low53.2Low128 Ų128106 Ų10683%0.83166%0.662SS**PPolyproline II helixtrans-62.6117.7-179.825.4-33.3000109.9T96P94-T96 PolarHBondContact O-N 3.26Å
95S44.4Very low55.5Low86 Ų86105.7 Ų105.760%0.60165%0.652SS**PPolyproline II helixtrans-53124.3179.5-640000110.8P93 V97P93-S95 PolarHBondContact O-N 3.07Å; P93-S95 VanDerWaalsContact O-N 3.1Å; S95-V97 PolarHBondContact O-N 3.37Å
96T45.3Very low57.4Low125 Ų125101.4 Ų101.477%0.76762%0.622SS**  trans-53110158.2-58.20000107.3P94 V98P94-T96 PolarHBondContact O-N 3.26Å; T96-V98 HydrophobicContact CG2-CG2 4.39Å; T96-V98 PolarHBondContact O-N 3.27Å
97V48.3Very low59.5Low135 Ų13597.1 Ų97.182%0.81859%0.591SS**  trans-69.580.1171.9-79.30000108.6S95 A99S95-V97 PolarHBondContact O-N 3.37Å; V97-A99 PolarHBondContact O-N 3.38Å
98V44.9Very low61.3Low110 Ų11095.5 Ų95.567%0.66759%0.591SS**  trans-60.6110.1159.4-154.30000104.7T96 T100T96-V98 HydrophobicContact CG2-CG2 4.39Å; T96-V98 PolarHBondContact O-N 3.27Å; V98-T100 PolarHBondContact O-N 2.78Å; V98-T100 PolarHBondContact O-OG1 3.11Å
99A45.2Very low63Low97 Ų9791.4 Ų91.480%0.80257%0.573SS**  trans-72.177175.700000108.2V97 G101V97-A99 PolarHBondContact O-N 3.38Å; A99-G101 PolarHBondContact O-N 3.2Å
100T51.1Low64.3Low128 Ų12884.3 Ų84.379%0.78554%0.537SS*.  trans-7648.7174.9-34.80000109.8V98V98-T100 PolarHBondContact O-N 2.78Å; V98-T100 PolarHBondContact O-OG1 3.11Å
101G64.3Low65.1Low51 Ų5181.8 Ų81.853%0.52652%0.523SS..  trans-71.5130.6170.900000108.4A99 D105A99-G101 PolarHBondContact O-N 3.2Å; G101-D105 WeakPolarHBondContact CA-OD2 3.29Å
102N80.1Confident65.8Low73 Ų7385.9 Ų85.939%0.3953%0.529SS..  trans-66.3141.7170.5-164.8-38.1000108.2D104 D105N102-D104 PolarHBondContact O-N 2.9Å; N102-D104 PolarHBondContact OD1-N 3.24Å; N102-D104 PolarHBondContact OD1-OD1 2.93Å; N102-D105 WeakPolarHBondContact CB-OD1 3.35Å; N102-D105 PolarHBondContact N-OD2 3.13Å; N102-D105 WeakPolarHBondContact O-CB 3.42Å; N102-D105 PolarHBondContact O-N 2.88Å
103V85.3Confident66.2Low55 Ų5580.8 Ų80.833%0.33351%0.511SS..THydrogen-bonded Turntrans-58.4-17176.763.50000112.5W106 D145 I148V103-W106 PolarHBondContact O-NE1 2.8Å; V103-D145 HydrophobicContact CG1-CB 3.7Å; V103-I148 HydrophobicContact CG1-CG2 3.76Å; V103-I148 HydrophobicContact CG2-CG2 4.21Å
104D88.6Confident66.1Low6 Ų681.7 Ų81.73%0.03252%0.515CS..THydrogen-bonded Turntrans-1053.9177.17518.7000116.4N102 W106 I107 W144 I148 K199N102-D104 PolarHBondContact O-N 2.9Å; N102-D104 PolarHBondContact OD1-N 3.24Å; N102-D104 PolarHBondContact OD1-OD1 2.93Å; D104-W106 PolarHBondContact O-N 3.41Å; D104-I107 HydrophobicContact CB-CD1 3.76Å; D104-I107 HydrophobicContact CB-CG1 4.35Å; D104-I107 WeakPolarHBondContact O-CB 3.34Å; D104-I107 VanDerWaalsContact O-CG1 3.31Å; D104-I107 WeakPolarHBondContact O-CG1 3.22Å; D104-I107 PolarHBondContact O-N 3.26Å; D104-W144 HydrophobicContact CB-CZ2 4.37Å; D104-W144 PolarHBondContact OD2-NE1 3.21Å; D104-I148 HydrophobicContact CB-CG1 4.21Å; D104-I148 HydrophobicContact CB-CG2 4.11Å; D104-K199 IonicContact OD1-NZ 2.74Å; D104-K199 PolarHBondContact OD1-NZ 3.41Å; D104-K199 WeakPolarHBondContact OD2-CD 3.28Å; D104-K199 WeakPolarHBondContact OD2-CE 3.38Å; D104-K199 IonicContact OD2-NZ 2.82Å; D104-K199 PolarHBondContact OD2-NZ 3.18Å
105D88.2Confident66.1Low89 Ų8978.8 Ų78.848%0.47649%0.493SS..G310 helixtrans-54-33.3-179.7-80.3-22.1000112.6G101 N102 I107 S108G101-D105 WeakPolarHBondContact CA-OD2 3.29Å; N102-D105 WeakPolarHBondContact CB-OD1 3.35Å; N102-D105 PolarHBondContact N-OD2 3.13Å; N102-D105 WeakPolarHBondContact O-CB 3.42Å; N102-D105 PolarHBondContact O-N 2.88Å; D105-I107 PolarHBondContact O-N 3.15Å; D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 3.36Å; D105-S108 PolarHBondContact O-OG 2.89Å
106W89.3Confident66.5Low40 Ų4079.8 Ų79.815%0.15249%0.49CS..G310 helixtrans-61.8-25.1179.667.2-86.4000114V103 D104 S108 G109 V110 I148 F151 K152 H156 Y191 L195V103-W106 PolarHBondContact O-NE1 2.8Å; D104-W106 PolarHBondContact O-N 3.41Å; W106-S108 PolarHBondContact O-N 3.01Å; W106-G109 PolarHBondContact O-N 2.9Å; W106-V110 HydrophobicContact CE3-CG2 3.6Å; W106-V110 HydrophobicContact CZ3-CG2 3.56Å; W106-I148 HydrophobicContact CH2-CD1 4.27Å; W106-I148 HydrophobicContact CZ2-CD1 3.57Å; W106-I148 HydrophobicContact CZ2-CG1 3.79Å; W106-F151 HydrophobicContact CH2-CD1 4.46Å; W106-K152 HydrophobicContact CD2-CD 4.06Å; W106-K152 HydrophobicContact CD2-CG 3.88Å; W106-K152 HydrophobicContact CE3-CG 4.42Å; W106-K152 HydrophobicContact CG-CD 3.86Å; W106-K152 HydrophobicContact CG-CG 4.23Å; W106-K152 HydrophobicContact CH2-CB 4.42Å; W106-K152 HydrophobicContact CH2-CG 4.42Å; W106-K152 HydrophobicContact CZ2-CB 3.66Å; W106-K152 HydrophobicContact CZ2-CG 3.87Å; W106-H156 AromaticContact CE3-CD2 3.48Å; W106-H156 VanDerWaalsContact CE3-CD2 3.48Å; W106-H156 AromaticContact CE3-CG 3.93Å; W106-H156 AromaticContact CE3-NE2 3.56Å; W106-H156 HydrophobicContact CH2-CB 3.9Å; W106-H156 AromaticContact CH2-CG 3.86Å; W106-H156 HydrophobicContact CZ3-CB 3.94Å; W106-H156 AromaticContact CZ3-CD2 3.42Å; W106-H156 VanDerWaalsContact CZ3-CD2 3.42Å; W106-H156 WeakPolarHBondContact CZ3-CD2 2.97Å; W106-H156 AromaticContact CZ3-CE1 3.74Å; W106-H156 AromaticContact CZ3-CG 3.36Å; W106-H156 AromaticContact CZ3-ND1 3.58Å; W106-H156 AromaticContact CZ3-NE2 3.66Å; W106-Y191 WeakPolarHBondContact CH2-OH 3.36Å; W106-L195 HydrophobicContact CH2-CD1 3.47Å; W106-L195 VanDerWaalsContact CH2-CD1 3.47Å; W106-L195 HydrophobicContact CZ2-CD1 4.35Å; W106-L195 HydrophobicContact CZ3-CD1 3.77Å
107I87.9Confident66.7Low5 Ų578.7 Ų78.73%0.02649%0.488CS..G310 helixtrans-58.2-35179.4-61.8176.1000110.5D104 D105 G109 V110 W144 I148 L195 R196D104-I107 HydrophobicContact CB-CD1 3.76Å; D104-I107 HydrophobicContact CB-CG1 4.35Å; D104-I107 WeakPolarHBondContact O-CB 3.34Å; D104-I107 VanDerWaalsContact O-CG1 3.31Å; D104-I107 WeakPolarHBondContact O-CG1 3.22Å; D104-I107 PolarHBondContact O-N 3.26Å; D105-I107 PolarHBondContact O-N 3.15Å; I107-G109 PolarHBondContact O-N 2.83Å; I107-V110 WeakPolarHBondContact O-CB 3.43Å; I107-V110 WeakPolarHBondContact O-CG2 3.37Å; I107-V110 PolarHBondContact O-N 2.8Å; I107-W144 HydrophobicContact CD1-CH2 4.2Å; I107-W144 HydrophobicContact CD1-CZ2 3.67Å; I107-I148 HydrophobicContact CD1-CD1 3.95Å; I107-I148 HydrophobicContact CD1-CG1 4.04Å; I107-I148 HydrophobicContact CG1-CD1 4.48Å; I107-L195 HydrophobicContact CD1-CB 4.11Å; I107-L195 HydrophobicContact CG1-CB 4.33Å; I107-L195 HydrophobicContact CG1-CD1 4.25Å; I107-L195 HydrophobicContact CG2-CB 3.8Å; I107-R196 HydrophobicContact CG2-CG 3.72Å
108S82.9Confident67Low101 Ų10175.4 Ų75.471%0.70647%0.47SS*.G310 helixtrans-63.2-24.5178.9-52.90000113.3D105 W106D105-S108 WeakPolarHBondContact O-CB 3.46Å; D105-S108 PolarHBondContact O-N 3.36Å; D105-S108 PolarHBondContact O-OG 2.89Å; W106-S108 PolarHBondContact O-N 3.01Å
109G79.4Confident67.4Low39 Ų3975.8 Ų75.840%0.40248%0.475SS..G310 helixtrans-95.6-5.7179.700000115W106 I107 D111 M112W106-G109 PolarHBondContact O-N 2.9Å; I107-G109 PolarHBondContact O-N 2.83Å; G109-D111 VanDerWaalsContact C-N 3.27Å; G109-D111 PolarHBondContact O-N 3.46Å; G109-M112 WeakPolarHBondContact O-CB 3.38Å; G109-M112 PolarHBondContact O-N 2.86Å; G109-M112 VanDerWaalsContact O-N 3.17Å
110V78.6Confident67.9Low1 Ų173.5 Ų73.51%0.00645%0.451CS..G310 helixtrans-59.3-36.7-171.1167.40000113W106 I107 M112 S113 Y191W106-V110 HydrophobicContact CE3-CG2 3.6Å; W106-V110 HydrophobicContact CZ3-CG2 3.56Å; I107-V110 WeakPolarHBondContact O-CB 3.43Å; I107-V110 WeakPolarHBondContact O-CG2 3.37Å; I107-V110 PolarHBondContact O-N 2.8Å; V110-M112 PolarHBondContact O-N 2.92Å; V110-M112 VanDerWaalsContact O-N 3.08Å; V110-S113 WeakPolarHBondContact O-CB 3.44Å; V110-S113 PolarHBondContact O-N 3.11Å; V110-S113 VanDerWaalsContact O-N 3.09Å; V110-Y191 HydrophobicContact CG1-CD1 3.26Å; V110-Y191 HydrophobicContact CG1-CE1 3.48Å; V110-Y191 VanDerWaalsContact CG1-CE1 3.48Å; V110-Y191 HydrophobicContact CG1-CG 4.32Å; V110-Y191 HydrophobicContact CG2-CE1 4.24Å
111D65.7Low68.1Low95 Ų9571.2 Ų71.251%0.50844%0.438SS..G310 helixtrans-70.1-5.5-175.6-59-35.3000113.3G109 R196G109-D111 VanDerWaalsContact C-N 3.27Å; G109-D111 PolarHBondContact O-N 3.46Å; D111-R196 IonicContact OD1-NH2 2.66Å; D111-R196 IonicContact OD2-CZ 2.68Å; D111-R196 VanDerWaalsContact OD2-CZ 3.27Å; D111-R196 IonicContact OD2-NH1 2.73Å; D111-R196 PolarHBondContact OD2-NH1 3.18Å; D111-R196 IonicContact OD2-NH2 3.27Å; D111-R196 PolarHBondContact OD2-NH2 2.85Å
112M56.4Low67.6Low175 Ų17572.9 Ų72.986%0.86245%0.448SS*.G310 helixtrans-93.7-8.1173.6-63.4-74.4176.900113.9G109 V110G109-M112 WeakPolarHBondContact O-CB 3.38Å; G109-M112 PolarHBondContact O-N 2.86Å; G109-M112 VanDerWaalsContact O-N 3.17Å; V110-M112 PolarHBondContact O-N 2.92Å; V110-M112 VanDerWaalsContact O-N 3.08Å
113S54.6Low66.5Low50 Ų5072.5 Ų72.535%0.3545%0.45SS..SBendtrans-83119.7-172.8-65.30000112.6V110 N115V110-S113 WeakPolarHBondContact O-CB 3.44Å; V110-S113 PolarHBondContact O-N 3.11Å; V110-S113 VanDerWaalsContact O-N 3.09Å; S113-N115 PolarHBondContact O-N 3.25Å
114T53.5Low65.4Low127 Ų12772.9 Ų72.978%0.77945%0.446SS*.  trans-62.5120179.129.40000112.5I116T114-I116 PolarHBondContact O-N 3.15Å; T114-I116 VanDerWaalsContact O-N 3.1Å
115N54.3Low64Low67 Ų6774.8 Ų74.836%0.35846%0.456SS..  trans-75.294.5-177.5-170.75.7000110.9S113 S117 S161 N162S113-N115 PolarHBondContact O-N 3.25Å; N115-S117 PolarHBondContact O-N 3.36Å; N115-S161 WeakPolarHBondContact OD1-CA 3.44Å; N115-S161 WeakPolarHBondContact OD1-CB 3.4Å; N115-S161 PolarHBondContact OD1-OG 2.77Å; N115-N162 PolarHBondContact OD1-N 3.07Å
116I53.2Low62.6Low107 Ų10773.5 Ų73.555%0.54946%0.458SS..  trans-84.3103.5173.8-53176.7000108.4T114 S118 P160T114-I116 PolarHBondContact O-N 3.15Å; T114-I116 VanDerWaalsContact O-N 3.1Å; I116-S118 VanDerWaalsContact C-N 3.32Å; I116-S118 PolarHBondContact O-N 2.97Å; I116-P160 HydrophobicContact CB-CB 4.37Å
117S49.2Very low61.1Low102 Ų10277.1 Ų77.171%0.71348%0.48SS*.  trans-76.972.9-177.1177.50000113N115N115-S117 PolarHBondContact O-N 3.36Å
118S53.4Low59.6Low65 Ų6580.4 Ų80.446%0.45549%0.494SS..  trans-98.9123.4164.5-690000109.8I116 V120 Q164I116-S118 VanDerWaalsContact C-N 3.32Å; I116-S118 PolarHBondContact O-N 2.97Å; S118-V120 PolarHBondContact O-N 3.37Å; S118-Q164 PolarHBondContact O-NE2 2.92Å; S118-Q164 PolarHBondContact O-OE1 3.31Å
119P55.1Low57.8Low119 Ų11978.6 Ų78.677%0.77349%0.485SS*.  trans-68112.3-17926.8-33.5000112
120V54.8Low56.2Low48 Ų4882 Ų8229%0.29150%0.5SS..  trans-80120.9168.9173.80000108.4S118 W124 Q164S118-V120 PolarHBondContact O-N 3.37Å; V120-W124 HydrophobicContact CG1-CB 3.5Å; V120-W124 VanDerWaalsContact CG1-CB 3.5Å; V120-W124 HydrophobicContact CG1-CD2 3.98Å; V120-W124 HydrophobicContact CG1-CE3 4.31Å; V120-W124 HydrophobicContact CG1-CG 3.65Å; V120-Q164 HydrophobicContact CB-CG 4.45Å; V120-Q164 VanDerWaalsContact CG2-OE1 3.23Å
121P55.4Low54.7Low80 Ų8086.1 Ų86.152%0.51953%0.534SS..  trans-69.1148.1177.928.9-34.3000110.9S123 W124P121-S123 PolarHBondContact O-N 3.34Å; P121-W124 VanDerWaalsContact O-CB 3.27Å; P121-W124 WeakPolarHBondContact O-CB 3.24Å; P121-W124 PolarHBondContact O-N 2.98Å
122A53Low54.2Low87 Ų8783.9 Ų83.972%0.71952%0.524SS*.THydrogen-bonded Turntrans-59.4-20.3-179.900000113.9W124 L125A122-W124 PolarHBondContact O-N 3.17Å; A122-L125 PolarHBondContact O-N 3.13Å
123S58.5Low54.4Low64 Ų6485 Ų8545%0.44852%0.524SS..Hα-helixtrans-58.4-30.9171.258.20000112.9P121 L125 A126 D127P121-S123 PolarHBondContact O-N 3.34Å; S123-L125 PolarHBondContact O-N 2.95Å; S123-A126 CarbonylContact O-C 3.45Å; S123-A126 WeakPolarHBondContact O-CA 3.41Å; S123-A126 WeakPolarHBondContact O-CB 3.34Å; S123-A126 PolarHBondContact O-N 3.18Å; S123-D127 PolarHBondContact O-N 2.98Å
124W62.3Low54.9Low63 Ų6384.3 Ų84.324%0.23952%0.516CS..Hα-helixtrans-58-38.1179.3-167.185.7000111.7V120 P121 A122 D127 F128 A158 V159V120-W124 HydrophobicContact CG1-CB 3.5Å; V120-W124 VanDerWaalsContact CG1-CB 3.5Å; V120-W124 HydrophobicContact CG1-CD2 3.98Å; V120-W124 HydrophobicContact CG1-CE3 4.31Å; V120-W124 HydrophobicContact CG1-CG 3.65Å; P121-W124 VanDerWaalsContact O-CB 3.27Å; P121-W124 WeakPolarHBondContact O-CB 3.24Å; P121-W124 PolarHBondContact O-N 2.98Å; A122-W124 PolarHBondContact O-N 3.17Å; W124-D127 PolarHBondContact O-N 3.17Å; W124-F128 HydrophobicContact CD2-CD2 4.11Å; W124-F128 AromaticContact CD2-CE2 3.98Å; W124-F128 HydrophobicContact CD2-CE2 3.98Å; W124-F128 AromaticContact CE2-CE2 3.48Å; W124-F128 VanDerWaalsContact CE2-CE2 3.48Å; W124-F128 HydrophobicContact CE3-CD2 4.13Å; W124-F128 HydrophobicContact CE3-CE2 4.28Å; W124-F128 HydrophobicContact CH2-CD2 4.16Å; W124-F128 AromaticContact CH2-CE2 3.69Å; W124-F128 HydrophobicContact CH2-CE2 3.69Å; W124-F128 HydrophobicContact CH2-CZ 4.05Å; W124-F128 HydrophobicContact CZ2-CD2 4.15Å; W124-F128 AromaticContact CZ2-CE2 3.35Å; W124-F128 HydrophobicContact CZ2-CE2 3.35Å; W124-F128 AromaticContact CZ2-CZ 3.82Å; W124-F128 HydrophobicContact CZ2-CZ 3.82Å; W124-F128 HydrophobicContact CZ3-CD2 4.15Å; W124-F128 HydrophobicContact CZ3-CE2 4.14Å; W124-F128 AromaticContact NE1-CE2 3.95Å; W124-F128 WeakPolarHBondContact O-CD2 3.41Å; W124-F128 PolarHBondContact O-N 3.43Å; W124-A158 HydrophobicContact CH2-CB 3.95Å; W124-A158 HydrophobicContact CZ2-CB 3.99Å; W124-V159 HydrophobicContact CE3-CG2 4.38Å; W124-V159 HydrophobicContact CH2-CG2 3.62Å; W124-V159 HydrophobicContact CZ2-CG2 4.36Å; W124-V159 HydrophobicContact CZ3-CG2 3.63Å
125L57.9Low55.8Low46 Ų4685.1 Ų85.124%0.24151%0.511CS..Hα-helixtrans-69.1-34.5172.8-71.1174.8000112.8A122 S123 D127 F128 A129 V168A122-L125 PolarHBondContact O-N 3.13Å; S123-L125 PolarHBondContact O-N 2.95Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 3.33Å; L125-F128 PolarHBondContact O-N 2.93Å; L125-A129 VanDerWaalsContact O-CB 3.31Å; L125-A129 WeakPolarHBondContact O-CB 3.43Å; L125-A129 PolarHBondContact O-N 3.4Å; L125-V168 HydrophobicContact CD1-CG2 4.18Å; L125-V168 HydrophobicContact CD2-CB 4.29Å; L125-V168 HydrophobicContact CD2-CG1 3.69Å; L125-V168 HydrophobicContact CD2-CG2 3.75Å; L125-V168 HydrophobicContact CG-CG2 4.34Å
126A59.8Low57.3Low63 Ų6387.5 Ų87.552%0.52152%0.52SS..Hα-helixtrans-70.8-21.817500000113S123 P130S123-A126 CarbonylContact O-C 3.45Å; S123-A126 WeakPolarHBondContact O-CA 3.41Å; S123-A126 WeakPolarHBondContact O-CB 3.34Å; S123-A126 PolarHBondContact O-N 3.18Å; A126-P130 WeakPolarHBondContact O-CD 3.25Å
127D58.2Low59Low116 Ų11682.7 Ų82.762%0.6250%0.495SS*.Hα-helixtrans-79.6-30.5173.2-62.9-40.4000112.1S123 W124 L125 P130S123-D127 PolarHBondContact O-N 2.98Å; W124-D127 PolarHBondContact O-N 3.17Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 3.33Å; D127-P130 WeakPolarHBondContact O-CD 3.44Å
128F55.1Low60.8Low74 Ų7481.7 Ų81.733%0.32548%0.482SS..Hα-helixtrans-81.7-33.5172.4-84-95.7000113.3W124 L125 A131 V132 L154W124-F128 HydrophobicContact CD2-CD2 4.11Å; W124-F128 AromaticContact CD2-CE2 3.98Å; W124-F128 HydrophobicContact CD2-CE2 3.98Å; W124-F128 AromaticContact CE2-CE2 3.48Å; W124-F128 VanDerWaalsContact CE2-CE2 3.48Å; W124-F128 HydrophobicContact CE3-CD2 4.13Å; W124-F128 HydrophobicContact CE3-CE2 4.28Å; W124-F128 HydrophobicContact CH2-CD2 4.16Å; W124-F128 AromaticContact CH2-CE2 3.69Å; W124-F128 HydrophobicContact CH2-CE2 3.69Å; W124-F128 HydrophobicContact CH2-CZ 4.05Å; W124-F128 HydrophobicContact CZ2-CD2 4.15Å; W124-F128 AromaticContact CZ2-CE2 3.35Å; W124-F128 HydrophobicContact CZ2-CE2 3.35Å; W124-F128 AromaticContact CZ2-CZ 3.82Å; W124-F128 HydrophobicContact CZ2-CZ 3.82Å; W124-F128 HydrophobicContact CZ3-CD2 4.15Å; W124-F128 HydrophobicContact CZ3-CE2 4.14Å; W124-F128 AromaticContact NE1-CE2 3.95Å; W124-F128 WeakPolarHBondContact O-CD2 3.41Å; W124-F128 PolarHBondContact O-N 3.43Å; L125-F128 PolarHBondContact O-N 2.93Å; F128-A131 PolarHBondContact O-N 3.47Å; F128-A131 VanDerWaalsContact O-N 3.13Å; F128-V132 HydrophobicContact CD1-CG2 4.29Å; F128-V132 PolarHBondContact O-N 2.76Å; F128-L154 HydrophobicContact CE1-CD2 4.34Å
129A44.8Very low62.4Low62 Ų6279.2 Ų79.251%0.51247%0.466SS..THydrogen-bonded Turntrans-52.8-32.5-176.300000117L125L125-A129 VanDerWaalsContact O-CB 3.31Å; L125-A129 WeakPolarHBondContact O-CB 3.43Å; L125-A129 PolarHBondContact O-N 3.4Å
130P47Very low64Low111 Ų11175.8 Ų75.872%0.72144%0.442SS*.THydrogen-bonded Turntrans-78.4-29.6178.9-14.731.1000112.9A126 D127A126-P130 WeakPolarHBondContact O-CD 3.25Å; D127-P130 WeakPolarHBondContact O-CD 3.44Å
131A47.3Very low65.6Low87 Ų8777.9 Ų77.972%0.71946%0.456SS*.THydrogen-bonded Turntrans-99.7-29-173.400000112.9F128F128-A131 PolarHBondContact O-N 3.47Å; F128-A131 VanDerWaalsContact O-N 3.13Å
132V54.1Low67.1Low48 Ų4881.1 Ų81.129%0.29147%0.468SS..  trans-128.298-179.8-162.10000110.7F128 I134 L154F128-V132 HydrophobicContact CD1-CG2 4.29Å; F128-V132 PolarHBondContact O-N 2.76Å; V132-I134 HydrophobicContact CG1-CG1 3.79Å; V132-I134 PolarHBondContact O-N 3.36Å; V132-L154 HydrophobicContact CG1-CD1 3.6Å; V132-L154 HydrophobicContact CG2-CD2 4.31Å
133K60.7Low68.9Low199 Ų19980.8 Ų80.887%0.86545%0.452SS*.  trans-70.982.6160.6-67.2-178.3-179.3179.60108.5E135K133-E135 PolarHBondContact O-N 2.54Å; K133-E135 VanDerWaalsContact O-N 3.15Å
134I65.8Low70.4Confident36 Ų3678.4 Ų78.419%0.18543%0.433CS..  trans-66.6112.2160.8-51.1176.9000105.5V132 F147 L154 V155 L172V132-I134 HydrophobicContact CG1-CG1 3.79Å; V132-I134 PolarHBondContact O-N 3.36Å; I134-F147 HydrophobicContact CG2-CD2 4.46Å; I134-F147 HydrophobicContact CG2-CE2 4.42Å; I134-L154 HydrophobicContact CD1-CB 4.36Å; I134-L154 HydrophobicContact CD1-CD1 3.72Å; I134-L154 HydrophobicContact CG1-CD1 3.82Å; I134-V155 HydrophobicContact CD1-CG2 4.45Å; I134-L172 HydrophobicContact CB-CD1 4.45Å; I134-L172 HydrophobicContact CB-CD2 3.75Å; I134-L172 HydrophobicContact CD1-CD1 3.96Å; I134-L172 HydrophobicContact CD1-CD2 4.4Å; I134-L172 HydrophobicContact CG2-CD1 3.98Å; I134-L172 HydrophobicContact CG2-CD2 3.87Å; I134-L172 HydrophobicContact CG2-CG 4.43Å
135E72.8Confident71.7Confident143 Ų14379.7 Ų79.767%0.66845%0.445SS*.  trans-61.2145.4177.1-172.3164.8-169.400110.1K133 F137K133-E135 PolarHBondContact O-N 2.54Å; K133-E135 VanDerWaalsContact O-N 3.15Å; E135-F137 PolarHBondContact O-N 3.27Å
136Q85.2Confident73.2Confident117 Ų11783.8 Ų83.855%0.54746%0.464SS..  trans-68.3124175.5-75-174.5-17.300109.1D138 L172Q136-D138 PolarHBondContact O-N 2.68Å; Q136-L172 CarbonylContact C-O 3.47Å; Q136-L172 VanDerWaalsContact CA-O 3.27Å; Q136-L172 WeakPolarHBondContact CA-O 3.31Å
137F87.9Confident74.6Confident6 Ų681.3 Ų81.33%0.02644%0.441CS..BIsolated β-bridgetrans-68.9114.9173.1-170-122.4000109.2E135 G139 N140 H143 W144 F147 L172 L173 S174 L177 L198E135-F137 PolarHBondContact O-N 3.27Å; F137-G139 VanDerWaalsContact C-N 3.35Å; F137-N140 WeakPolarHBondContact CE2-O 3.26Å; F137-H143 HydrophobicContact CD2-CB 4.34Å; F137-H143 HydrophobicContact CE2-CB 4.17Å; F137-W144 AromaticContact CE1-CE3 3.89Å; F137-W144 HydrophobicContact CE1-CE3 3.89Å; F137-W144 HydrophobicContact CE1-CZ3 4.23Å; F137-W144 HydrophobicContact CE2-CB 4.4Å; F137-W144 HydrophobicContact CE2-CE3 4.36Å; F137-W144 HydrophobicContact CZ-CB 4.35Å; F137-W144 AromaticContact CZ-CE3 3.74Å; F137-W144 HydrophobicContact CZ-CE3 3.74Å; F137-F147 HydrophobicContact CB-CD1 3.98Å; F137-F147 HydrophobicContact CB-CD2 3.69Å; F137-F147 HydrophobicContact CB-CE1 4.09Å; F137-F147 HydrophobicContact CB-CE2 3.81Å; F137-F147 HydrophobicContact CB-CG 3.77Å; F137-F147 HydrophobicContact CB-CZ 4.01Å; F137-F147 HydrophobicContact CD1-CD1 4.12Å; F137-F147 HydrophobicContact CD1-CE1 4.28Å; F137-F147 HydrophobicContact CD2-CB 3.84Å; F137-F147 HydrophobicContact CD2-CD1 4.1Å; F137-F147 AromaticContact CD2-CG 3.89Å; F137-F147 HydrophobicContact CD2-CG 3.89Å; F137-F147 HydrophobicContact CE2-CB 4.43Å; F137-F147 HydrophobicContact CG-CB 4.32Å; F137-F147 AromaticContact CG-CD1 3.8Å; F137-F147 HydrophobicContact CG-CD1 3.8Å; F137-F147 HydrophobicContact CG-CD2 4.3Å; F137-F147 HydrophobicContact CG-CE1 4.19Å; F137-F147 AromaticContact CG-CG 3.85Å; F137-F147 HydrophobicContact CG-CG 3.85Å; F137-L172 PolarHBondContact N-O 2.82Å; F137-L173 HydrophobicContact CB-CD2 4.12Å; F137-L173 HydrophobicContact CD1-CD2 4.22Å; F137-S174 PolarHBondContact O-N 3.27Å; F137-L177 HydrophobicContact CD1-CD2 3.54Å; F137-L177 HydrophobicContact CE1-CD2 3.99Å; F137-L177 HydrophobicContact CG-CD2 4.39Å; F137-L177 WeakPolarHBondContact O-CD2 3.3Å; F137-L198 HydrophobicContact CD1-CD1 3.99Å; F137-L198 HydrophobicContact CD1-CD2 4.1Å; F137-L198 HydrophobicContact CD1-CG 4.03Å; F137-L198 HydrophobicContact CE1-CD1 4.02Å; F137-L198 HydrophobicContact CE1-CD2 4.38Å; F137-L198 HydrophobicContact CE1-CG 3.89Å
138D87.4Confident76.2Confident82 Ų8275.8 Ų75.844%0.43941%0.412SS..  trans-78.8-20.6178.757.4-11.7000112.7Q136 N140 H143Q136-D138 PolarHBondContact O-N 2.68Å; D138-N140 WeakPolarHBondContact OD1-CB 3.26Å; D138-N140 PolarHBondContact OD1-N 3.4Å; D138-N140 WeakPolarHBondContact OD2-CB 3.43Å; D138-H143 IonicContact OD1-ND1 3.53Å; D138-H143 IonicContact OD2-ND1 3.73Å
139G88.4Confident77.8Confident12 Ų1273.2 Ų73.212%0.12441%0.407CS..SBendtrans105.12.3-172.400000112.5F137 P141F137-G139 VanDerWaalsContact C-N 3.35Å; G139-P141 VanDerWaalsContact O-CD 3.27Å; G139-P141 WeakPolarHBondContact O-CD 3.36Å
140N87.7Confident79.9Confident48 Ų4873.5 Ų73.526%0.25740%0.399SS..  trans-71.6119.2179.5-178.6-4.7000110.7F137 D138 L142 H143 W144F137-N140 WeakPolarHBondContact CE2-O 3.26Å; D138-N140 WeakPolarHBondContact OD1-CB 3.26Å; D138-N140 PolarHBondContact OD1-N 3.4Å; D138-N140 WeakPolarHBondContact OD2-CB 3.43Å; N140-L142 PolarHBondContact O-N 3.18Å; N140-L142 VanDerWaalsContact O-N 3.08Å; N140-L142 WeakPolarHBondContact OD1-CB 3.21Å; N140-L142 PolarHBondContact OD1-N 3.22Å; N140-H143 PolarHBondContact ND2-CE1 3.05Å; N140-H143 PolarHBondContact O-N 2.86Å; N140-W144 PolarHBondContact O-N 3.25Å
141P87.9Confident81.9Confident91 Ų9168.2 Ų68.259%0.59137%0.365SS*.Hα-helixtrans-59.1-25.1179.7-26.436.6000113.9G139 H143 W144G139-P141 VanDerWaalsContact O-CD 3.27Å; G139-P141 WeakPolarHBondContact O-CD 3.36Å; P141-H143 PolarHBondContact O-N 3.49Å; P141-W144 WeakPolarHBondContact O-CB 3.42Å; P141-W144 PolarHBondContact O-N 3.35Å
142L88.2Confident83.9Confident149 Ų14966.9 Ų66.978%0.7834%0.343SS*.Hα-helixtrans-66.4-23175-61.6175.7000113.2N140N140-L142 PolarHBondContact O-N 3.18Å; N140-L142 VanDerWaalsContact O-N 3.08Å; N140-L142 WeakPolarHBondContact OD1-CB 3.21Å; N140-L142 PolarHBondContact OD1-N 3.22Å
143H89.3Confident85.4Confident79 Ų7967.8 Ų67.837%0.36635%0.352SS..Hα-helixtrans-97.3-9.2178.8-59.2162.7000112.5F137 D138 N140 P141 D145 M146 F147F137-H143 HydrophobicContact CD2-CB 4.34Å; F137-H143 HydrophobicContact CE2-CB 4.17Å; D138-H143 IonicContact OD1-ND1 3.53Å; D138-H143 IonicContact OD2-ND1 3.73Å; N140-H143 PolarHBondContact ND2-CE1 3.05Å; N140-H143 PolarHBondContact O-N 2.86Å; P141-H143 PolarHBondContact O-N 3.49Å; H143-D145 PolarHBondContact O-N 3.15Å; H143-M146 PolarHBondContact O-N 3.38Å; H143-F147 WeakPolarHBondContact O-CB 3.25Å; H143-F147 PolarHBondContact O-N 3.45Å
144W91.5Very high86.5Confident14 Ų1460 Ų605%0.05332%0.319CS..Hα-helixtrans-55.1-52.7-175.7175.2-110.8000112.4D104 I107 F137 N140 P141 M146 F147 I148 L198 K199D104-W144 HydrophobicContact CB-CZ2 4.37Å; D104-W144 PolarHBondContact OD2-NE1 3.21Å; I107-W144 HydrophobicContact CD1-CH2 4.2Å; I107-W144 HydrophobicContact CD1-CZ2 3.67Å; F137-W144 AromaticContact CE1-CE3 3.89Å; F137-W144 HydrophobicContact CE1-CE3 3.89Å; F137-W144 HydrophobicContact CE1-CZ3 4.23Å; F137-W144 HydrophobicContact CE2-CB 4.4Å; F137-W144 HydrophobicContact CE2-CE3 4.36Å; F137-W144 HydrophobicContact CZ-CB 4.35Å; F137-W144 AromaticContact CZ-CE3 3.74Å; F137-W144 HydrophobicContact CZ-CE3 3.74Å; N140-W144 PolarHBondContact O-N 3.25Å; P141-W144 WeakPolarHBondContact O-CB 3.42Å; P141-W144 PolarHBondContact O-N 3.35Å; W144-M146 VanDerWaalsContact C-N 3.29Å; W144-M146 PolarHBondContact O-N 2.87Å; W144-F147 HydrophobicContact CE3-CD1 4.25Å; W144-F147 HydrophobicContact CZ3-CD1 4.17Å; W144-F147 HydrophobicContact CZ3-CE1 4.47Å; W144-F147 PolarHBondContact O-N 3.48Å; W144-F147 VanDerWaalsContact O-N 3.15Å; W144-I148 HydrophobicContact CD2-CB 4.38Å; W144-I148 HydrophobicContact CH2-CB 4.45Å; W144-I148 HydrophobicContact CH2-CD1 3.79Å; W144-I148 HydrophobicContact CH2-CG1 4.2Å; W144-I148 HydrophobicContact CZ2-CB 4.19Å; W144-I148 HydrophobicContact CZ2-CD1 4Å; W144-I148 HydrophobicContact CZ2-CG1 3.92Å; W144-I148 HydrophobicContact CZ3-CD1 4.39Å; W144-I148 WeakPolarHBondContact O-CB 3.42Å; W144-I148 VanDerWaalsContact O-CG2 3.25Å; W144-I148 WeakPolarHBondContact O-CG2 3.46Å; W144-I148 PolarHBondContact O-N 3.19Å; W144-L198 HydrophobicContact CH2-CB 4.29Å; W144-L198 HydrophobicContact CH2-CD2 4.46Å; W144-L198 HydrophobicContact CH2-CG 4.42Å; W144-L198 HydrophobicContact CZ3-CB 4.1Å; W144-L198 HydrophobicContact CZ3-CD2 3.83Å; W144-L198 HydrophobicContact CZ3-CG 3.76Å; W144-K199 HydrophobicContact CH2-CB 4.03Å; W144-K199 HydrophobicContact CZ2-CB 3.62Å; W144-K199 HydrophobicContact CZ2-CD 4.34Å; W144-K199 HydrophobicContact CZ2-CG 4.02Å
145D89.9Confident87.5Confident91 Ų9158.4 Ų58.449%0.48731%0.311SS..Hα-helixtrans-59.5-39.9-176-71.9-4.7000112.6V103 H143 G149V103-D145 HydrophobicContact CG1-CB 3.7Å; H143-D145 PolarHBondContact O-N 3.15Å; D145-G149 PolarHBondContact O-N 3.49Å; D145-G149 VanDerWaalsContact O-N 3.13Å
146M88.4Confident88.3Confident131 Ų13152.5 Ų52.565%0.64528%0.284SS*.Hα-helixtrans-71-45176.8-172.2-178.5-60.100111.3H143 W144 N150H143-M146 PolarHBondContact O-N 3.38Å; W144-M146 VanDerWaalsContact C-N 3.29Å; W144-M146 PolarHBondContact O-N 2.87Å; M146-N150 WeakPolarHBondContact O-CB 3.25Å; M146-N150 VanDerWaalsContact O-CG 3.25Å; M146-N150 PolarHBondContact O-N 3.4Å; M146-N150 VanDerWaalsContact O-N 3.09Å; M146-N150 PolarHBondContact O-ND2 3.03Å
147F90.3Very high88.3Confident11 Ų1151.5 Ų51.55%0.04828%0.282CS..Hα-helixtrans-60.7-51.3178.3173.5-108.1000111.5I134 F137 H143 W144 N150 F151 L169 L172 L173 L198I134-F147 HydrophobicContact CG2-CD2 4.46Å; I134-F147 HydrophobicContact CG2-CE2 4.42Å; F137-F147 HydrophobicContact CB-CD1 3.98Å; F137-F147 HydrophobicContact CB-CD2 3.69Å; F137-F147 HydrophobicContact CB-CE1 4.09Å; F137-F147 HydrophobicContact CB-CE2 3.81Å; F137-F147 HydrophobicContact CB-CG 3.77Å; F137-F147 HydrophobicContact CB-CZ 4.01Å; F137-F147 HydrophobicContact CD1-CD1 4.12Å; F137-F147 HydrophobicContact CD1-CE1 4.28Å; F137-F147 HydrophobicContact CD2-CB 3.84Å; F137-F147 HydrophobicContact CD2-CD1 4.1Å; F137-F147 AromaticContact CD2-CG 3.89Å; F137-F147 HydrophobicContact CD2-CG 3.89Å; F137-F147 HydrophobicContact CE2-CB 4.43Å; F137-F147 HydrophobicContact CG-CB 4.32Å; F137-F147 AromaticContact CG-CD1 3.8Å; F137-F147 HydrophobicContact CG-CD1 3.8Å; F137-F147 HydrophobicContact CG-CD2 4.3Å; F137-F147 HydrophobicContact CG-CE1 4.19Å; F137-F147 AromaticContact CG-CG 3.85Å; F137-F147 HydrophobicContact CG-CG 3.85Å; H143-F147 WeakPolarHBondContact O-CB 3.25Å; H143-F147 PolarHBondContact O-N 3.45Å; W144-F147 HydrophobicContact CE3-CD1 4.25Å; W144-F147 HydrophobicContact CZ3-CD1 4.17Å; W144-F147 HydrophobicContact CZ3-CE1 4.47Å; W144-F147 PolarHBondContact O-N 3.48Å; W144-F147 VanDerWaalsContact O-N 3.15Å; F147-N150 PolarHBondContact O-N 2.87Å; F147-F151 HydrophobicContact CZ-CB 4.46Å; F147-F151 HydrophobicContact CZ-CD2 4.36Å; F147-F151 HydrophobicContact CZ-CG 4.5Å; F147-F151 WeakPolarHBondContact O-CB 3.42Å; F147-F151 PolarHBondContact O-N 2.63Å; F147-L169 HydrophobicContact CE1-CD1 4.12Å; F147-L169 HydrophobicContact CZ-CD1 3.79Å; F147-L172 HydrophobicContact CE2-CB 3.97Å; F147-L172 HydrophobicContact CE2-CD1 4.45Å; F147-L172 HydrophobicContact CZ-CB 4.34Å; F147-L173 HydrophobicContact CE1-CD2 4.49Å; F147-L173 HydrophobicContact CZ-CD2 4.17Å; F147-L198 HydrophobicContact CE1-CD2 3.85Å
148I91.4Very high88Confident0 Ų053.7 Ų53.70%030%0.301CS..Hα-helixtrans-71.4-34-174.8-161.463000112.2V103 D104 W106 I107 W144 K152 L195V103-I148 HydrophobicContact CG1-CG2 3.76Å; V103-I148 HydrophobicContact CG2-CG2 4.21Å; D104-I148 HydrophobicContact CB-CG1 4.21Å; D104-I148 HydrophobicContact CB-CG2 4.11Å; W106-I148 HydrophobicContact CH2-CD1 4.27Å; W106-I148 HydrophobicContact CZ2-CD1 3.57Å; W106-I148 HydrophobicContact CZ2-CG1 3.79Å; I107-I148 HydrophobicContact CD1-CD1 3.95Å; I107-I148 HydrophobicContact CD1-CG1 4.04Å; I107-I148 HydrophobicContact CG1-CD1 4.48Å; W144-I148 HydrophobicContact CD2-CB 4.38Å; W144-I148 HydrophobicContact CH2-CB 4.45Å; W144-I148 HydrophobicContact CH2-CD1 3.79Å; W144-I148 HydrophobicContact CH2-CG1 4.2Å; W144-I148 HydrophobicContact CZ2-CB 4.19Å; W144-I148 HydrophobicContact CZ2-CD1 4Å; W144-I148 HydrophobicContact CZ2-CG1 3.92Å; W144-I148 HydrophobicContact CZ3-CD1 4.39Å; W144-I148 WeakPolarHBondContact O-CB 3.42Å; W144-I148 VanDerWaalsContact O-CG2 3.25Å; W144-I148 WeakPolarHBondContact O-CG2 3.46Å; W144-I148 PolarHBondContact O-N 3.19Å; I148-K152 VanDerWaalsContact O-CB 3.26Å; I148-K152 WeakPolarHBondContact O-CB 3.35Å; I148-K152 PolarHBondContact O-N 3.11Å; I148-L195 HydrophobicContact CD1-CD2 4.03Å
149G89Confident87.7Confident21 Ų2149.9 Ų49.922%0.21628%0.281CS..Hα-helixtrans-66.1-43.9173.200000113D145 S153D145-G149 PolarHBondContact O-N 3.49Å; D145-G149 VanDerWaalsContact O-N 3.13Å; G149-S153 PolarHBondContact O-N 3.24Å; G149-S153 VanDerWaalsContact O-N 3.15Å; G149-S153 PolarHBondContact O-OG 2.8Å
150N87.5Confident87.1Confident67 Ų6751.5 Ų51.536%0.35829%0.289SS..Hα-helixtrans-64.9-48.4173.4-73.5-19.9000110.9M146 F147 K152 S153 L154M146-N150 WeakPolarHBondContact O-CB 3.25Å; M146-N150 VanDerWaalsContact O-CG 3.25Å; M146-N150 PolarHBondContact O-N 3.4Å; M146-N150 VanDerWaalsContact O-N 3.09Å; M146-N150 PolarHBondContact O-ND2 3.03Å; F147-N150 PolarHBondContact O-N 2.87Å; N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.98Å; N150-S153 PolarHBondContact O-N 3.04Å; N150-S153 PolarHBondContact O-OG 3.06Å; N150-L154 HydrophobicContact CB-CD1 4.21Å; N150-L154 VanDerWaalsContact O-CB 3.25Å; N150-L154 WeakPolarHBondContact O-CB 3.45Å; N150-L154 WeakPolarHBondContact O-CD1 3.19Å; N150-L154 WeakPolarHBondContact O-CG 3.4Å; N150-L154 PolarHBondContact O-N 3.17Å
151F89.2Confident86.8Confident0 Ų049.3 Ų49.30%028%0.278CS..Hα-helixtrans-61.6-38.1179.1-173.6-97000112.1W106 F147 V155 H156 V168 L169 L172 Y191 L195W106-F151 HydrophobicContact CH2-CD1 4.46Å; F147-F151 HydrophobicContact CZ-CB 4.46Å; F147-F151 HydrophobicContact CZ-CD2 4.36Å; F147-F151 HydrophobicContact CZ-CG 4.5Å; F147-F151 WeakPolarHBondContact O-CB 3.42Å; F147-F151 PolarHBondContact O-N 2.63Å; F151-V155 HydrophobicContact CD2-CB 3.92Å; F151-V155 HydrophobicContact CD2-CG1 4.4Å; F151-V155 HydrophobicContact CD2-CG2 3.72Å; F151-V155 HydrophobicContact CE1-CB 4.41Å; F151-V155 HydrophobicContact CE1-CG1 4.48Å; F151-V155 HydrophobicContact CE2-CB 3.74Å; F151-V155 HydrophobicContact CE2-CG1 3.71Å; F151-V155 HydrophobicContact CE2-CG2 3.79Å; F151-V155 HydrophobicContact CG-CB 4.33Å; F151-V155 HydrophobicContact CG-CG2 4.43Å; F151-V155 HydrophobicContact CZ-CB 3.99Å; F151-V155 HydrophobicContact CZ-CG1 3.75Å; F151-V155 WeakPolarHBondContact O-CA 3.27Å; F151-V155 VanDerWaalsContact O-CB 3.25Å; F151-V155 WeakPolarHBondContact O-CB 3.28Å; F151-V155 PolarHBondContact O-N 3.22Å; F151-H156 PolarHBondContact O-N 3Å; F151-V168 HydrophobicContact CE2-CB 4.49Å; F151-V168 HydrophobicContact CE2-CG1 4.29Å; F151-L169 HydrophobicContact CD2-CD1 4.48Å; F151-L169 HydrophobicContact CE2-CB 4.04Å; F151-L169 HydrophobicContact CE2-CD1 4.07Å; F151-L169 HydrophobicContact CZ-CB 3.88Å; F151-L169 HydrophobicContact CZ-CD1 4.09Å; F151-L169 HydrophobicContact CZ-CG 4.47Å; F151-L172 HydrophobicContact CD2-CD1 3.69Å; F151-L172 HydrophobicContact CE2-CD1 3.97Å; F151-Y191 AromaticContact CE1-CE2 3.88Å; F151-Y191 HydrophobicContact CE1-CE2 3.88Å; F151-Y191 WeakPolarHBondContact CE1-OH 3.2Å; F151-Y191 HydrophobicContact CZ-CE2 4.24Å; F151-L195 HydrophobicContact CD1-CD2 4.44Å; F151-L195 HydrophobicContact CE1-CD2 4.19Å
152K90.2Very high86.7Confident59 Ų5945.6 Ų45.626%0.25725%0.253SS..Iπ-helixtrans-61.5-57175.1-169-158.7-176.9-600111.2W106 I148 N150 L154 H156 D157W106-K152 HydrophobicContact CD2-CD 4.06Å; W106-K152 HydrophobicContact CD2-CG 3.88Å; W106-K152 HydrophobicContact CE3-CG 4.42Å; W106-K152 HydrophobicContact CG-CD 3.86Å; W106-K152 HydrophobicContact CG-CG 4.23Å; W106-K152 HydrophobicContact CH2-CB 4.42Å; W106-K152 HydrophobicContact CH2-CG 4.42Å; W106-K152 HydrophobicContact CZ2-CB 3.66Å; W106-K152 HydrophobicContact CZ2-CG 3.87Å; I148-K152 VanDerWaalsContact O-CB 3.26Å; I148-K152 WeakPolarHBondContact O-CB 3.35Å; I148-K152 PolarHBondContact O-N 3.11Å; N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.98Å; K152-L154 VanDerWaalsContact C-N 3.31Å; K152-L154 PolarHBondContact O-N 2.95Å; K152-H156 HydrophobicContact CG-CB 4.2Å; K152-H156 WeakPolarHBondContact O-CB 3.15Å; K152-H156 PolarHBondContact O-N 3.02Å; K152-D157 IonicContact NZ-OD1 2.86Å; K152-D157 PolarHBondContact NZ-OD1 3.42Å; K152-D157 IonicContact NZ-OD2 3.94Å; K152-D157 PolarHBondContact NZ-OD2 2.75Å; K152-D157 PolarHBondContact O-N 2.92Å
153S84.8Confident86.4Confident68 Ų6840 Ų4048%0.47623%0.227SC..Iπ-helixtrans-67.2-29.2-173.453.50000113.8G149 N150G149-S153 PolarHBondContact O-N 3.24Å; G149-S153 VanDerWaalsContact O-N 3.15Å; G149-S153 PolarHBondContact O-OG 2.8Å; N150-S153 PolarHBondContact O-N 3.04Å; N150-S153 PolarHBondContact O-OG 3.06Å
154L84.7Confident86Confident35 Ų3537.7 Ų37.718%0.18322%0.216CC..Iπ-helixtrans-100.3-29.8-175.6-60165.7000113.9F128 V132 I134 N150 K152 A158F128-L154 HydrophobicContact CE1-CD2 4.34Å; V132-L154 HydrophobicContact CG1-CD1 3.6Å; V132-L154 HydrophobicContact CG2-CD2 4.31Å; I134-L154 HydrophobicContact CD1-CB 4.36Å; I134-L154 HydrophobicContact CD1-CD1 3.72Å; I134-L154 HydrophobicContact CG1-CD1 3.82Å; N150-L154 HydrophobicContact CB-CD1 4.21Å; N150-L154 VanDerWaalsContact O-CB 3.25Å; N150-L154 WeakPolarHBondContact O-CB 3.45Å; N150-L154 WeakPolarHBondContact O-CD1 3.19Å; N150-L154 WeakPolarHBondContact O-CG 3.4Å; N150-L154 PolarHBondContact O-N 3.17Å; K152-L154 VanDerWaalsContact C-N 3.31Å; K152-L154 PolarHBondContact O-N 2.95Å; L154-A158 WeakPolarHBondContact O-CB 3.31Å
155V86.8Confident85.8Confident3 Ų338 Ų382%0.01822%0.217CC..Iπ-helixtrans-119.5-53.2-172.2-170.90000111.4I134 F151 A158 V159 R165 V168I134-V155 HydrophobicContact CD1-CG2 4.45Å; F151-V155 HydrophobicContact CD2-CB 3.92Å; F151-V155 HydrophobicContact CD2-CG1 4.4Å; F151-V155 HydrophobicContact CD2-CG2 3.72Å; F151-V155 HydrophobicContact CE1-CB 4.41Å; F151-V155 HydrophobicContact CE1-CG1 4.48Å; F151-V155 HydrophobicContact CE2-CB 3.74Å; F151-V155 HydrophobicContact CE2-CG1 3.71Å; F151-V155 HydrophobicContact CE2-CG2 3.79Å; F151-V155 HydrophobicContact CG-CB 4.33Å; F151-V155 HydrophobicContact CG-CG2 4.43Å; F151-V155 HydrophobicContact CZ-CB 3.99Å; F151-V155 HydrophobicContact CZ-CG1 3.75Å; F151-V155 WeakPolarHBondContact O-CA 3.27Å; F151-V155 VanDerWaalsContact O-CB 3.25Å; F151-V155 WeakPolarHBondContact O-CB 3.28Å; F151-V155 PolarHBondContact O-N 3.22Å; V155-A158 PolarHBondContact O-N 3.31Å; V155-V159 HydrophobicContact CG1-CG2 4.04Å; V155-V159 WeakPolarHBondContact O-CB 3.19Å; V155-V159 WeakPolarHBondContact O-CG2 3.36Å; V155-V159 PolarHBondContact O-N 3.27Å; V155-R165 HydrophobicContact CG1-CG 4.42Å; V155-V168 HydrophobicContact CG1-CB 3.8Å; V155-V168 HydrophobicContact CG1-CG1 3.89Å; V155-V168 HydrophobicContact CG1-CG2 3.93Å; V155-V168 HydrophobicContact CG2-CG1 3.76Å
156H88.2Confident85.7Confident18 Ų1833.7 Ų33.78%0.08319%0.194CC..Iπ-helixtrans-62.8-49.6-177.7-176.957.8000111.8W106 F151 K152 A158 R165 Y191W106-H156 AromaticContact CE3-CD2 3.48Å; W106-H156 VanDerWaalsContact CE3-CD2 3.48Å; W106-H156 AromaticContact CE3-CG 3.93Å; W106-H156 AromaticContact CE3-NE2 3.56Å; W106-H156 HydrophobicContact CH2-CB 3.9Å; W106-H156 AromaticContact CH2-CG 3.86Å; W106-H156 HydrophobicContact CZ3-CB 3.94Å; W106-H156 AromaticContact CZ3-CD2 3.42Å; W106-H156 VanDerWaalsContact CZ3-CD2 3.42Å; W106-H156 WeakPolarHBondContact CZ3-CD2 2.97Å; W106-H156 AromaticContact CZ3-CE1 3.74Å; W106-H156 AromaticContact CZ3-CG 3.36Å; W106-H156 AromaticContact CZ3-ND1 3.58Å; W106-H156 AromaticContact CZ3-NE2 3.66Å; F151-H156 PolarHBondContact O-N 3Å; K152-H156 HydrophobicContact CG-CB 4.2Å; K152-H156 WeakPolarHBondContact O-CB 3.15Å; K152-H156 PolarHBondContact O-N 3.02Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.34Å; H156-R165 VanDerWaalsContact ND1-CZ 3.32Å; H156-R165 PolarHBondContact ND1-NE 2.66Å; H156-R165 PolarHBondContact O-NE 3.13Å; H156-R165 PolarHBondContact O-NH2 2.73Å; H156-Y191 AromaticContact CE1-CE1 3.99Å; H156-Y191 AromaticContact ND1-CE1 3.53Å; H156-Y191 AromaticContact ND1-CZ 3.8Å; H156-Y191 PolarHBondContact ND1-OH 3.23Å
157D85.3Confident85.5Confident96 Ų9629.6 Ų29.651%0.51318%0.181SC..THydrogen-bonded Turntrans-75.9-19.2-174.6-64.3-13.9000112.6K152K152-D157 IonicContact NZ-OD1 2.86Å; K152-D157 PolarHBondContact NZ-OD1 3.42Å; K152-D157 IonicContact NZ-OD2 3.94Å; K152-D157 PolarHBondContact NZ-OD2 2.75Å; K152-D157 PolarHBondContact O-N 2.92Å
158A82.1Confident85.3Confident52 Ų5229.5 Ų29.543%0.4318%0.181SC..THydrogen-bonded Turntrans-102.6-32.4-176.400000114.6W124 L154 V155 H156W124-A158 HydrophobicContact CH2-CB 3.95Å; W124-A158 HydrophobicContact CZ2-CB 3.99Å; L154-A158 WeakPolarHBondContact O-CB 3.31Å; V155-A158 PolarHBondContact O-N 3.31Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.34Å
159V81.4Confident85.2Confident2 Ų229.5 Ų29.51%0.01218%0.181CC..  trans-97.6121.3-176.7-179.80000109.6W124 V155 Q164 R165W124-V159 HydrophobicContact CE3-CG2 4.38Å; W124-V159 HydrophobicContact CH2-CG2 3.62Å; W124-V159 HydrophobicContact CZ2-CG2 4.36Å; W124-V159 HydrophobicContact CZ3-CG2 3.63Å; V155-V159 HydrophobicContact CG1-CG2 4.04Å; V155-V159 WeakPolarHBondContact O-CB 3.19Å; V155-V159 WeakPolarHBondContact O-CG2 3.36Å; V155-V159 PolarHBondContact O-N 3.27Å; V159-Q164 HydrophobicContact CG1-CB 3.44Å; V159-Q164 VanDerWaalsContact CG1-CB 3.44Å; V159-Q164 HydrophobicContact CG1-CG 4.49Å; V159-R165 HydrophobicContact CB-CG 4Å; V159-R165 HydrophobicContact CG1-CG 4.02Å; V159-R165 PolarHBondContact O-NE 3.47Å; V159-R165 PolarHBondContact O-NH2 3.2Å; V159-R165 VanDerWaalsContact O-NH2 3.07Å
160P76.4Confident85Confident47 Ų4733.7 Ų33.731%0.30519%0.19SC..  trans-80.9-21.4-172.430.9-35.8000114.8I116I116-P160 HydrophobicContact CB-CB 4.37Å
161S81Confident85Confident1 Ų135.7 Ų35.71%0.00720%0.197CC..  trans-104.2131.8-177.8-173.10000113.3N115 S163 Q164 R165N115-S161 WeakPolarHBondContact OD1-CA 3.44Å; N115-S161 WeakPolarHBondContact OD1-CB 3.4Å; N115-S161 PolarHBondContact OD1-OG 2.77Å; S161-S163 PolarHBondContact O-N 3.49Å; S161-S163 PolarHBondContact OG-N 3.46Å; S161-S163 PolarHBondContact OG-OG 2.74Å; S161-Q164 PolarHBondContact O-N 2.84Å; S161-Q164 VanDerWaalsContact O-N 3.13Å; S161-R165 WeakPolarHBondContact O-CG 3.38Å; S161-R165 PolarHBondContact O-N 2.96Å
162N85.4Confident84.9Confident13 Ų1336.7 Ų36.77%0.0720%0.203CC..Hα-helixtrans-58.5-35.7175-74.8-9.1000112.8N115 Q164 R165 I166 Y191N115-N162 PolarHBondContact OD1-N 3.07Å; N162-Q164 VanDerWaalsContact C-N 3.28Å; N162-Q164 PolarHBondContact O-N 3.19Å; N162-R165 PolarHBondContact O-N 3.25Å; N162-R165 PolarHBondContact OD1-NH1 2.9Å; N162-I166 PolarHBondContact O-N 2.96Å; N162-Y191 HydrophobicContact CB-CD1 4.35Å; N162-Y191 HydrophobicContact CB-CG 4.27Å; N162-Y191 VanDerWaalsContact OD1-CD1 3.29Å; N162-Y191 WeakPolarHBondContact OD1-CD1 3.34Å
163S81.2Confident84.9Confident33 Ų3334 Ų3423%0.23119%0.191CC..Hα-helixtrans-57.8-40.6175.966.50000112.8S161 A167S161-S163 PolarHBondContact O-N 3.49Å; S161-S163 PolarHBondContact OG-N 3.46Å; S161-S163 PolarHBondContact OG-OG 2.74Å; S163-A167 PolarHBondContact O-N 2.75Å; S163-A167 VanDerWaalsContact O-N 3.11Å
164Q82.1Confident85Confident29 Ų2931.7 Ų31.714%0.13618%0.175CC..Hα-helixtrans-77.6-42.8178.8-69.81554.400111.1S118 V120 V159 S161 N162 I166 A167 V168S118-Q164 PolarHBondContact O-NE2 2.92Å; S118-Q164 PolarHBondContact O-OE1 3.31Å; V120-Q164 HydrophobicContact CB-CG 4.45Å; V120-Q164 VanDerWaalsContact CG2-OE1 3.23Å; V159-Q164 HydrophobicContact CG1-CB 3.44Å; V159-Q164 VanDerWaalsContact CG1-CB 3.44Å; V159-Q164 HydrophobicContact CG1-CG 4.49Å; S161-Q164 PolarHBondContact O-N 2.84Å; S161-Q164 VanDerWaalsContact O-N 3.13Å; N162-Q164 VanDerWaalsContact C-N 3.28Å; N162-Q164 PolarHBondContact O-N 3.19Å; Q164-I166 PolarHBondContact O-N 3.4Å; Q164-A167 CarbonylContact O-C 3.56Å; Q164-A167 WeakPolarHBondContact O-CA 3.46Å; Q164-A167 WeakPolarHBondContact O-CB 3.42Å; Q164-A167 PolarHBondContact O-N 2.74Å; Q164-V168 WeakPolarHBondContact O-CG2 3.31Å; Q164-V168 PolarHBondContact O-N 3.45Å
165R87.5Confident85.1Confident21 Ų2134 Ų348%0.07919%0.192CC..Hα-helixtrans-53.1-42173.3-65.4171.2177.9162.2-7.2111V155 H156 V159 S161 N162 V168 L169 Y191V155-R165 HydrophobicContact CG1-CG 4.42Å; H156-R165 VanDerWaalsContact ND1-CZ 3.32Å; H156-R165 PolarHBondContact ND1-NE 2.66Å; H156-R165 PolarHBondContact O-NE 3.13Å; H156-R165 PolarHBondContact O-NH2 2.73Å; V159-R165 HydrophobicContact CB-CG 4Å; V159-R165 HydrophobicContact CG1-CG 4.02Å; V159-R165 PolarHBondContact O-NE 3.47Å; V159-R165 PolarHBondContact O-NH2 3.2Å; V159-R165 VanDerWaalsContact O-NH2 3.07Å; S161-R165 WeakPolarHBondContact O-CG 3.38Å; S161-R165 PolarHBondContact O-N 2.96Å; N162-R165 PolarHBondContact O-N 3.25Å; N162-R165 PolarHBondContact OD1-NH1 2.9Å; R165-V168 PolarHBondContact O-N 2.96Å; R165-L169 VanDerWaalsContact O-CB 3.31Å; R165-L169 WeakPolarHBondContact O-CB 3.43Å; R165-L169 PolarHBondContact O-N 3.05Å; R165-Y191 HydrophobicContact CB-CD2 3.8Å; R165-Y191 HydrophobicContact CB-CE1 4.38Å; R165-Y191 HydrophobicContact CB-CE2 3.54Å; R165-Y191 HydrophobicContact CB-CG 4.3Å; R165-Y191 VanDerWaalsContact CD-CE1 3.5Å; R165-Y191 HydrophobicContact CG-CE2 4.42Å
166I86.9Confident85.1Confident0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-65-42.9171.9-72.5166.9000112.3N162 Q164 V168 L169 R170 L185 N187 L188 Y191N162-I166 PolarHBondContact O-N 2.96Å; Q164-I166 PolarHBondContact O-N 3.4Å; I166-V168 VanDerWaalsContact C-N 3.3Å; I166-V168 PolarHBondContact O-N 3.47Å; I166-L169 PolarHBondContact O-N 3.03Å; I166-R170 HydrophobicContact CG2-CG 4.24Å; I166-R170 WeakPolarHBondContact O-CB 3.4Å; I166-R170 VanDerWaalsContact O-CG 3.26Å; I166-R170 WeakPolarHBondContact O-CG 3.2Å; I166-R170 PolarHBondContact O-N 2.79Å; I166-L185 HydrophobicContact CG2-CD2 4.38Å; I166-N187 WeakPolarHBondContact CD1-O 3.38Å; I166-L188 HydrophobicContact CB-CD2 4.35Å; I166-L188 WeakPolarHBondContact CD1-O 3.44Å; I166-L188 HydrophobicContact CG2-CD2 4.03Å; I166-Y191 HydrophobicContact CG1-CD2 3.95Å; I166-Y191 HydrophobicContact CG1-CG 4.4Å
167A84.9Confident85.1Confident45 Ų4541.4 Ų41.437%0.37223%0.227SC..Hα-helixtrans-62.5-35.4177.700000112.8S163 Q164 Q171S163-A167 PolarHBondContact O-N 2.75Å; S163-A167 VanDerWaalsContact O-N 3.11Å; Q164-A167 CarbonylContact O-C 3.56Å; Q164-A167 WeakPolarHBondContact O-CA 3.46Å; Q164-A167 WeakPolarHBondContact O-CB 3.42Å; Q164-A167 PolarHBondContact O-N 2.74Å; A167-Q171 PolarHBondContact O-NE2 3.25Å
168V85.5Confident85.1Confident9 Ų941.8 Ų41.86%0.05522%0.221CC..Hα-helixtrans-69.4-50.2170.8-174.80000110.5L125 F151 V155 Q164 R165 I166 R170 Q171 L172L125-V168 HydrophobicContact CD1-CG2 4.18Å; L125-V168 HydrophobicContact CD2-CB 4.29Å; L125-V168 HydrophobicContact CD2-CG1 3.69Å; L125-V168 HydrophobicContact CD2-CG2 3.75Å; L125-V168 HydrophobicContact CG-CG2 4.34Å; F151-V168 HydrophobicContact CE2-CB 4.49Å; F151-V168 HydrophobicContact CE2-CG1 4.29Å; V155-V168 HydrophobicContact CG1-CB 3.8Å; V155-V168 HydrophobicContact CG1-CG1 3.89Å; V155-V168 HydrophobicContact CG1-CG2 3.93Å; V155-V168 HydrophobicContact CG2-CG1 3.76Å; Q164-V168 WeakPolarHBondContact O-CG2 3.31Å; Q164-V168 PolarHBondContact O-N 3.45Å; R165-V168 PolarHBondContact O-N 2.96Å; I166-V168 VanDerWaalsContact C-N 3.3Å; I166-V168 PolarHBondContact O-N 3.47Å; V168-R170 VanDerWaalsContact C-N 3.27Å; V168-R170 PolarHBondContact O-N 3.43Å; V168-Q171 WeakPolarHBondContact O-CB 3.44Å; V168-Q171 PolarHBondContact O-N 3.21Å; V168-L172 HydrophobicContact CG1-CD1 3.79Å; V168-L172 HydrophobicContact CG1-CG 4.33Å; V168-L172 PolarHBondContact O-N 3.25Å
169L88.7Confident85.3Confident0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-50.7-47.8178.6-174.959000111.2F147 F151 R165 I166 Q171 L172 L173 L185 A194 L195 L198F147-L169 HydrophobicContact CE1-CD1 4.12Å; F147-L169 HydrophobicContact CZ-CD1 3.79Å; F151-L169 HydrophobicContact CD2-CD1 4.48Å; F151-L169 HydrophobicContact CE2-CB 4.04Å; F151-L169 HydrophobicContact CE2-CD1 4.07Å; F151-L169 HydrophobicContact CZ-CB 3.88Å; F151-L169 HydrophobicContact CZ-CD1 4.09Å; F151-L169 HydrophobicContact CZ-CG 4.47Å; R165-L169 VanDerWaalsContact O-CB 3.31Å; R165-L169 WeakPolarHBondContact O-CB 3.43Å; R165-L169 PolarHBondContact O-N 3.05Å; I166-L169 PolarHBondContact O-N 3.03Å; L169-Q171 PolarHBondContact O-N 3.28Å; L169-L172 PolarHBondContact O-N 3.24Å; L169-L173 HydrophobicContact CD1-CD2 3.98Å; L169-L173 HydrophobicContact CD1-CG 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.35Å; L169-L185 HydrophobicContact CD2-CD2 3.85Å; L169-L185 HydrophobicContact CG-CD2 4.25Å; L169-A194 HydrophobicContact CD2-CB 4.48Å; L169-L195 HydrophobicContact CD1-CD2 4.36Å; L169-L195 HydrophobicContact CD2-CD2 3.93Å; L169-L198 HydrophobicContact CD1-CD2 3.99Å
170R86.5Confident85.4Confident110 Ų11046.4 Ų46.442%0.41526%0.255SS..Hα-helixtrans-60-15.7177.4-7417368.5145.5-1.4115.9I166 V168 R178 L185I166-R170 HydrophobicContact CG2-CG 4.24Å; I166-R170 WeakPolarHBondContact O-CB 3.4Å; I166-R170 VanDerWaalsContact O-CG 3.26Å; I166-R170 WeakPolarHBondContact O-CG 3.2Å; I166-R170 PolarHBondContact O-N 2.79Å; V168-R170 VanDerWaalsContact C-N 3.27Å; V168-R170 PolarHBondContact O-N 3.43Å; R170-R178 WeakPolarHBondContact O-CD 3.5Å; R170-R178 PolarHBondContact O-NH1 2.84Å; R170-L185 HydrophobicContact CG-CB 4.09Å; R170-L185 HydrophobicContact CG-CD1 4.04Å; R170-L185 HydrophobicContact CG-CD2 4.09Å; R170-L185 HydrophobicContact CG-CG 4.31Å; R170-L185 PolarHBondContact NH1-O 3.29Å
171Q85.8Confident85.7Confident108 Ų10844.6 Ų44.651%0.50524%0.243SC..Hα-helixtrans-96.1-21.5174.8-69.5170.378.600112.3A167 V168 L169A167-Q171 PolarHBondContact O-NE2 3.25Å; V168-Q171 WeakPolarHBondContact O-CB 3.44Å; V168-Q171 PolarHBondContact O-N 3.21Å; L169-Q171 PolarHBondContact O-N 3.28Å
172L88.4Confident85.8Confident22 Ų2246.7 Ų46.712%0.11526%0.26CS..Hα-helixtrans-95.3-3.2-179.6-60.4175.3000113.6I134 Q136 F137 F147 F151 V168 L169I134-L172 HydrophobicContact CB-CD1 4.45Å; I134-L172 HydrophobicContact CB-CD2 3.75Å; I134-L172 HydrophobicContact CD1-CD1 3.96Å; I134-L172 HydrophobicContact CD1-CD2 4.4Å; I134-L172 HydrophobicContact CG2-CD1 3.98Å; I134-L172 HydrophobicContact CG2-CD2 3.87Å; I134-L172 HydrophobicContact CG2-CG 4.43Å; Q136-L172 CarbonylContact C-O 3.47Å; Q136-L172 VanDerWaalsContact CA-O 3.27Å; Q136-L172 WeakPolarHBondContact CA-O 3.31Å; F137-L172 PolarHBondContact N-O 2.82Å; F147-L172 HydrophobicContact CE2-CB 3.97Å; F147-L172 HydrophobicContact CE2-CD1 4.45Å; F147-L172 HydrophobicContact CZ-CB 4.34Å; F151-L172 HydrophobicContact CD2-CD1 3.69Å; F151-L172 HydrophobicContact CE2-CD1 3.97Å; V168-L172 HydrophobicContact CG1-CD1 3.79Å; V168-L172 HydrophobicContact CG1-CG 4.33Å; V168-L172 PolarHBondContact O-N 3.25Å; L169-L172 PolarHBondContact O-N 3.24Å
173L89Confident85.6Confident2 Ų250.5 Ų50.51%0.0129%0.285CS..BIsolated β-bridgetrans-93.6148171.3-54.8-170.5000111.2F137 F147 L169 L177 R178 V181 L185 L198F137-L173 HydrophobicContact CB-CD2 4.12Å; F137-L173 HydrophobicContact CD1-CD2 4.22Å; F147-L173 HydrophobicContact CE1-CD2 4.49Å; F147-L173 HydrophobicContact CZ-CD2 4.17Å; L169-L173 HydrophobicContact CD1-CD2 3.98Å; L169-L173 HydrophobicContact CD1-CG 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.28Å; L169-L173 PolarHBondContact O-N 3.35Å; L173-L177 HydrophobicContact CB-CD2 4.45Å; L173-L177 HydrophobicContact CD1-CG 4.4Å; L173-L177 HydrophobicContact CD2-CD2 4.2Å; L173-R178 HydrophobicContact CB-CB 4.18Å; L173-V181 HydrophobicContact CD1-CG2 3.83Å; L173-L185 HydrophobicContact CD1-CD1 3.76Å; L173-L198 HydrophobicContact CD1-CD1 3.98Å; L173-L198 HydrophobicContact CD2-CD1 3.95Å; L173-L198 HydrophobicContact CD2-CD2 3.65Å; L173-L198 HydrophobicContact CD2-CG 4.46Å
174S87Confident85.4Confident20 Ų2049.9 Ų49.914%0.1428%0.281CS..  trans-57.3152167.878.90000111.2F137 E176 L177 R178F137-S174 PolarHBondContact O-N 3.27Å; S174-E176 PolarHBondContact O-N 3.07Å; S174-L177 PolarHBondContact O-N 3.13Å; S174-L177 WeakPolarHBondContact OG-CB 3.44Å; S174-L177 PolarHBondContact OG-N 3.22Å; S174-R178 VanDerWaalsContact O-CB 3.29Å; S174-R178 WeakPolarHBondContact O-CB 3.41Å; S174-R178 PolarHBondContact O-N 3.5Å
175P86.2Confident85.4Confident84 Ų8448.6 Ų48.655%0.54528%0.275SS..Hα-helixtrans-57.8-35.2-179.4-26.735.8000113.9A179P175-A179 PolarHBondContact O-N 3.49Å
176E87.5Confident84.8Confident169 Ų16951.6 Ų51.679%0.7930%0.299SS*.Hα-helixtrans-71.5-49.3179.4-60.9-176.8174.400111.3S174 R178 A179 S180S174-E176 PolarHBondContact O-N 3.07Å; E176-R178 VanDerWaalsContact C-N 3.32Å; E176-R178 PolarHBondContact O-N 3.19Å; E176-A179 WeakPolarHBondContact O-CB 3.4Å; E176-A179 PolarHBondContact O-N 3.3Å; E176-S180 PolarHBondContact O-N 3.49Å
177L87.4Confident84.3Confident6 Ų654.8 Ų54.83%0.03132%0.316CS..Hα-helixtrans-60.7-43.4177.7-176.258.5000111.4F137 L173 S174 A179 S180 V181 L198 V201F137-L177 HydrophobicContact CD1-CD2 3.54Å; F137-L177 HydrophobicContact CE1-CD2 3.99Å; F137-L177 HydrophobicContact CG-CD2 4.39Å; F137-L177 WeakPolarHBondContact O-CD2 3.3Å; L173-L177 HydrophobicContact CB-CD2 4.45Å; L173-L177 HydrophobicContact CD1-CG 4.4Å; L173-L177 HydrophobicContact CD2-CD2 4.2Å; S174-L177 PolarHBondContact O-N 3.13Å; S174-L177 WeakPolarHBondContact OG-CB 3.44Å; S174-L177 PolarHBondContact OG-N 3.22Å; L177-A179 PolarHBondContact O-N 2.78Å; L177-S180 WeakPolarHBondContact O-CB 3.42Å; L177-S180 PolarHBondContact O-N 3.06Å; L177-V181 VanDerWaalsContact O-CG2 3.23Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 2.96Å; L177-L198 HydrophobicContact CD1-CD1 4.01Å; L177-L198 HydrophobicContact CD2-CD1 3.63Å; L177-L198 HydrophobicContact CG-CD1 3.85Å; L177-V201 HydrophobicContact CD1-CB 3.97Å; L177-V201 HydrophobicContact CD1-CG1 3.65Å; L177-V201 HydrophobicContact CD1-CG2 3.91Å
178R86.6Confident83.6Confident105 Ų10556.6 Ų56.640%0.39632%0.319SS..Hα-helixtrans-60.6-29.7175.4-173.3174.168.4-168.5-2.6113.4R170 L173 S174 E176 A182 L185R170-R178 WeakPolarHBondContact O-CD 3.5Å; R170-R178 PolarHBondContact O-NH1 2.84Å; L173-R178 HydrophobicContact CB-CB 4.18Å; S174-R178 VanDerWaalsContact O-CB 3.29Å; S174-R178 WeakPolarHBondContact O-CB 3.41Å; S174-R178 PolarHBondContact O-N 3.5Å; E176-R178 VanDerWaalsContact C-N 3.32Å; E176-R178 PolarHBondContact O-N 3.19Å; R178-A182 WeakPolarHBondContact O-CA 3.46Å; R178-A182 WeakPolarHBondContact O-CB 3.45Å; R178-A182 PolarHBondContact O-N 3.38Å; R178-L185 HydrophobicContact CG-CD1 4.16Å
179A85.1Confident82.9Confident69 Ų6961.3 Ų61.357%0.5734%0.344SS*.Hα-helixtrans-75.7-39.6173.100000111.4P175 E176 L177 A182P175-A179 PolarHBondContact O-N 3.49Å; E176-A179 WeakPolarHBondContact O-CB 3.4Å; E176-A179 PolarHBondContact O-N 3.3Å; L177-A179 PolarHBondContact O-N 2.78Å; A179-A182 VanDerWaalsContact O-CB 3.24Å; A179-A182 WeakPolarHBondContact O-CB 3.15Å; A179-A182 PolarHBondContact O-N 3.23Å
180S84.3Confident82.5Confident82 Ų8265 Ų6557%0.57336%0.362SS*.Hα-helixtrans-59.8-53176.1-170.30000112.2E176 L177 A182E176-S180 PolarHBondContact O-N 3.49Å; L177-S180 WeakPolarHBondContact O-CB 3.42Å; L177-S180 PolarHBondContact O-N 3.06Å; S180-A182 VanDerWaalsContact C-N 3.29Å; S180-A182 PolarHBondContact O-N 3.11Å
181V82.7Confident82.5Confident9 Ų959.8 Ų59.86%0.05534%0.342CS..THydrogen-bonded Turntrans-89.417179.1-63.80000113.8L173 L177 S184 L185 L198 V201L173-V181 HydrophobicContact CD1-CG2 3.83Å; L177-V181 VanDerWaalsContact O-CG2 3.23Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 2.96Å; V181-S184 PolarHBondContact O-N 2.73Å; V181-L185 HydrophobicContact CB-CD1 4.46Å; V181-L185 HydrophobicContact CG2-CD1 3.53Å; V181-L185 HydrophobicContact CG2-CG 4.11Å; V181-L185 WeakPolarHBondContact O-CG 3.29Å; V181-L185 PolarHBondContact O-N 2.94Å; V181-L185 VanDerWaalsContact O-N 3.11Å; V181-L198 HydrophobicContact CG2-CD1 4.39Å; V181-V201 HydrophobicContact CG1-CG2 4.02Å
182A82.7Confident82.6Confident44 Ų4454.6 Ų54.636%0.36432%0.318SS..THydrogen-bonded Turntrans-54.7-38.2-178.700000115R178 A179 S180 S184 L185 S186R178-A182 WeakPolarHBondContact O-CA 3.46Å; R178-A182 WeakPolarHBondContact O-CB 3.45Å; R178-A182 PolarHBondContact O-N 3.38Å; A179-A182 VanDerWaalsContact O-CB 3.24Å; A179-A182 WeakPolarHBondContact O-CB 3.15Å; A179-A182 PolarHBondContact O-N 3.23Å; S180-A182 VanDerWaalsContact C-N 3.29Å; S180-A182 PolarHBondContact O-N 3.11Å; A182-S184 PolarHBondContact O-N 2.96Å; A182-L185 PolarHBondContact O-N 2.88Å; A182-S186 PolarHBondContact O-N 3.08Å; A182-S186 VanDerWaalsContact O-N 3.11Å
183P80.8Confident82.5Confident94 Ų9456.4 Ų56.461%0.6133%0.326SS*.THydrogen-bonded Turntrans-59.5-45.8176.9-24.835.8000112.3S186P183-S186 WeakPolarHBondContact O-CB 3.5Å; P183-S186 PolarHBondContact O-N 3.46Å; P183-S186 PolarHBondContact O-OG 3.5Å
184S77.6Confident82.5Confident19 Ų1956.4 Ų56.413%0.13333%0.326CS..THydrogen-bonded Turntrans-71.2-32.1-178.5-43.50000112.5V181 A182 S186 D197V181-S184 PolarHBondContact O-N 2.73Å; A182-S184 PolarHBondContact O-N 2.96Å; S184-S186 VanDerWaalsContact C-N 3.27Å; S184-S186 PolarHBondContact O-N 3.02Å; S184-D197 WeakPolarHBondContact CB-OD2 3.48Å; S184-D197 PolarHBondContact OG-OD2 3.04Å
185L81.6Confident82.7Confident3 Ų355.5 Ų55.52%0.01632%0.32CS..THydrogen-bonded Turntrans-80.2-2.1173.9-63.3172.5000114.2I166 L169 R170 L173 R178 V181 A182 A194I166-L185 HydrophobicContact CG2-CD2 4.38Å; L169-L185 HydrophobicContact CD2-CD2 3.85Å; L169-L185 HydrophobicContact CG-CD2 4.25Å; R170-L185 HydrophobicContact CG-CB 4.09Å; R170-L185 HydrophobicContact CG-CD1 4.04Å; R170-L185 HydrophobicContact CG-CD2 4.09Å; R170-L185 HydrophobicContact CG-CG 4.31Å; R170-L185 PolarHBondContact NH1-O 3.29Å; L173-L185 HydrophobicContact CD1-CD1 3.76Å; R178-L185 HydrophobicContact CG-CD1 4.16Å; V181-L185 HydrophobicContact CB-CD1 4.46Å; V181-L185 HydrophobicContact CG2-CD1 3.53Å; V181-L185 HydrophobicContact CG2-CG 4.11Å; V181-L185 WeakPolarHBondContact O-CG 3.29Å; V181-L185 PolarHBondContact O-N 2.94Å; V181-L185 VanDerWaalsContact O-N 3.11Å; A182-L185 PolarHBondContact O-N 2.88Å; L185-A194 HydrophobicContact CD2-CB 3.99Å
186S75.5Confident82.8Confident83 Ų8355.2 Ų55.258%0.5831%0.308SS*.THydrogen-bonded Turntrans-85.5-31.617977.40000113A182 P183 S184A182-S186 PolarHBondContact O-N 3.08Å; A182-S186 VanDerWaalsContact O-N 3.11Å; P183-S186 WeakPolarHBondContact O-CB 3.5Å; P183-S186 PolarHBondContact O-N 3.46Å; P183-S186 PolarHBondContact O-OG 3.5Å; S184-S186 VanDerWaalsContact C-N 3.27Å; S184-S186 PolarHBondContact O-N 3.02Å
187N75.6Confident82.7Confident68 Ų6848.8 Ų48.836%0.36428%0.279SS..  trans-96.1112178.8-173.1-9.7000110.7I166 D189 M190I166-N187 WeakPolarHBondContact CD1-O 3.38Å; N187-D189 PolarHBondContact O-N 3.11Å; N187-D189 PolarHBondContact OD1-N 3.32Å; N187-D189 VanDerWaalsContact OD1-N 3.13Å; N187-M190 HydrophobicContact CB-CB 4.06Å; N187-M190 HydrophobicContact CB-CG 3.89Å; N187-M190 HydrophobicContact CB-SD 3.76Å; N187-M190 WeakPolarHBondContact ND2-CG 3.41Å; N187-M190 PolarHBondContact ND2-SD 3.1Å; N187-M190 PolarHBondContact O-N 2.86Å
188L70.6Confident82.7Confident82 Ų8248.5 Ų48.543%0.42928%0.278SS..THydrogen-bonded Turntrans-67.1-15.8-175.1-64176.6000114.2I166I166-L188 HydrophobicContact CB-CD2 4.35Å; I166-L188 WeakPolarHBondContact CD1-O 3.44Å; I166-L188 HydrophobicContact CG2-CD2 4.03Å
189D71.2Confident82.6Confident109 Ų10948.2 Ų48.258%0.58328%0.279SS*.THydrogen-bonded Turntrans-91.1-13.9175.4-63.1-54.8000112.8N187 Y191N187-D189 PolarHBondContact O-N 3.11Å; N187-D189 PolarHBondContact OD1-N 3.32Å; N187-D189 VanDerWaalsContact OD1-N 3.13Å; D189-Y191 VanDerWaalsContact C-N 3.29Å; D189-Y191 PolarHBondContact O-N 3.01Å
190M79.9Confident82.3Confident77 Ų7751.4 Ų51.438%0.37929%0.285SS..  trans-90.831.9-177.2-70.4-178.96700113.8N187 G192 Q193 A194N187-M190 HydrophobicContact CB-CB 4.06Å; N187-M190 HydrophobicContact CB-CG 3.89Å; N187-M190 HydrophobicContact CB-SD 3.76Å; N187-M190 WeakPolarHBondContact ND2-CG 3.41Å; N187-M190 PolarHBondContact ND2-SD 3.1Å; N187-M190 PolarHBondContact O-N 2.86Å; M190-G192 PolarHBondContact O-N 3.09Å; M190-Q193 HydrophobicContact CB-CB 4.22Å; M190-Q193 HydrophobicContact CE-CB 3.96Å; M190-Q193 HydrophobicContact CE-CG 3.85Å; M190-Q193 WeakPolarHBondContact O-CB 3.34Å; M190-Q193 PolarHBondContact O-N 3.08Å; M190-A194 PolarHBondContact O-N 3.3Å
191Y87.5Confident81.5Confident0 Ų051.6 Ų51.60%028%0.283CS..Hα-helixtrans-58.1-42.4-176.8166.4-113.9000113.4W106 V110 F151 H156 N162 R165 I166 D189 Q193 A194 L195W106-Y191 WeakPolarHBondContact CH2-OH 3.36Å; V110-Y191 HydrophobicContact CG1-CD1 3.26Å; V110-Y191 HydrophobicContact CG1-CE1 3.48Å; V110-Y191 VanDerWaalsContact CG1-CE1 3.48Å; V110-Y191 HydrophobicContact CG1-CG 4.32Å; V110-Y191 HydrophobicContact CG2-CE1 4.24Å; F151-Y191 AromaticContact CE1-CE2 3.88Å; F151-Y191 HydrophobicContact CE1-CE2 3.88Å; F151-Y191 WeakPolarHBondContact CE1-OH 3.2Å; F151-Y191 HydrophobicContact CZ-CE2 4.24Å; H156-Y191 AromaticContact CE1-CE1 3.99Å; H156-Y191 AromaticContact ND1-CE1 3.53Å; H156-Y191 AromaticContact ND1-CZ 3.8Å; H156-Y191 PolarHBondContact ND1-OH 3.23Å; N162-Y191 HydrophobicContact CB-CD1 4.35Å; N162-Y191 HydrophobicContact CB-CG 4.27Å; N162-Y191 VanDerWaalsContact OD1-CD1 3.29Å; N162-Y191 WeakPolarHBondContact OD1-CD1 3.34Å; R165-Y191 HydrophobicContact CB-CD2 3.8Å; R165-Y191 HydrophobicContact CB-CE1 4.38Å; R165-Y191 HydrophobicContact CB-CE2 3.54Å; R165-Y191 HydrophobicContact CB-CG 4.3Å; R165-Y191 VanDerWaalsContact CD-CE1 3.5Å; R165-Y191 HydrophobicContact CG-CE2 4.42Å; I166-Y191 HydrophobicContact CG1-CD2 3.95Å; I166-Y191 HydrophobicContact CG1-CG 4.4Å; D189-Y191 VanDerWaalsContact C-N 3.29Å; D189-Y191 PolarHBondContact O-N 3.01Å; Y191-Q193 VanDerWaalsContact C-N 3.32Å; Y191-Q193 PolarHBondContact O-N 3.17Å; Y191-A194 PolarHBondContact O-N 3.1Å; Y191-L195 HydrophobicContact CD2-CD1 4.39Å; Y191-L195 HydrophobicContact CD2-CG 4.43Å; Y191-L195 HydrophobicContact CE1-CD1 4.09Å; Y191-L195 HydrophobicContact CE2-CD1 3.69Å; Y191-L195 HydrophobicContact CE2-CD2 4.38Å; Y191-L195 HydrophobicContact CE2-CG 3.99Å; Y191-L195 PolarHBondContact O-N 3.34Å
192G87.8Confident81.4Confident0 Ų053.7 Ų53.70%029%0.294CS..Hα-helixtrans-62.2-39.1174.400000112.5M190 L195 R196M190-G192 PolarHBondContact O-N 3.09Å; G192-L195 PolarHBondContact O-N 2.77Å; G192-R196 WeakPolarHBondContact O-CG 3.44Å; G192-R196 PolarHBondContact O-N 3.13Å; G192-R196 VanDerWaalsContact O-N 3.15Å
193Q85.9Confident81.4Confident60 Ų6054.2 Ų54.228%0.2829%0.29SS..Hα-helixtrans-68.9-43176.5-16859.137.900112.3M190 Y191 L195 R196 D197M190-Q193 HydrophobicContact CB-CB 4.22Å; M190-Q193 HydrophobicContact CE-CB 3.96Å; M190-Q193 HydrophobicContact CE-CG 3.85Å; M190-Q193 WeakPolarHBondContact O-CB 3.34Å; M190-Q193 PolarHBondContact O-N 3.08Å; Y191-Q193 VanDerWaalsContact C-N 3.32Å; Y191-Q193 PolarHBondContact O-N 3.17Å; Q193-L195 PolarHBondContact O-N 2.91Å; Q193-R196 PolarHBondContact O-N 3.27Å; Q193-D197 PolarHBondContact NE2-OD1 3.22Å; Q193-D197 VanDerWaalsContact O-CG 3.24Å; Q193-D197 PolarHBondContact O-N 2.94Å
194A88.1Confident81.4Confident2 Ų252 Ų522%0.01727%0.273CS..Hα-helixtrans-58.6-34.8177.700000112.6L169 L185 M190 Y191 L198L169-A194 HydrophobicContact CD2-CB 4.48Å; L185-A194 HydrophobicContact CD2-CB 3.99Å; M190-A194 PolarHBondContact O-N 3.3Å; Y191-A194 PolarHBondContact O-N 3.1Å; A194-L198 WeakPolarHBondContact O-CB 3.5Å; A194-L198 PolarHBondContact O-N 3.34Å
195L91.2Very high81.6Confident0 Ų053.9 Ų53.90%028%0.281CS..Hα-helixtrans-72.8-38.4173.2-69.6178.4000113W106 I107 I148 F151 L169 Y191 G192 Q193 L198 K199W106-L195 HydrophobicContact CH2-CD1 3.47Å; W106-L195 VanDerWaalsContact CH2-CD1 3.47Å; W106-L195 HydrophobicContact CZ2-CD1 4.35Å; W106-L195 HydrophobicContact CZ3-CD1 3.77Å; I107-L195 HydrophobicContact CD1-CB 4.11Å; I107-L195 HydrophobicContact CG1-CB 4.33Å; I107-L195 HydrophobicContact CG1-CD1 4.25Å; I107-L195 HydrophobicContact CG2-CB 3.8Å; I148-L195 HydrophobicContact CD1-CD2 4.03Å; F151-L195 HydrophobicContact CD1-CD2 4.44Å; F151-L195 HydrophobicContact CE1-CD2 4.19Å; L169-L195 HydrophobicContact CD1-CD2 4.36Å; L169-L195 HydrophobicContact CD2-CD2 3.93Å; Y191-L195 HydrophobicContact CD2-CD1 4.39Å; Y191-L195 HydrophobicContact CD2-CG 4.43Å; Y191-L195 HydrophobicContact CE1-CD1 4.09Å; Y191-L195 HydrophobicContact CE2-CD1 3.69Å; Y191-L195 HydrophobicContact CE2-CD2 4.38Å; Y191-L195 HydrophobicContact CE2-CG 3.99Å; Y191-L195 PolarHBondContact O-N 3.34Å; G192-L195 PolarHBondContact O-N 2.77Å; Q193-L195 PolarHBondContact O-N 2.91Å; L195-L198 PolarHBondContact O-N 3.28Å; L195-K199 PolarHBondContact O-N 3.43Å
196R88.5Confident81.6Confident78 Ų7857.1 Ų57.129%0.29430%0.297SS..Hα-helixtrans-64.2-41.2174.8-72-176.2-69.1-101.910112.1I107 D111 G192 Q193 L198 K199I107-R196 HydrophobicContact CG2-CG 3.72Å; D111-R196 IonicContact OD1-NH2 2.66Å; D111-R196 IonicContact OD2-CZ 2.68Å; D111-R196 VanDerWaalsContact OD2-CZ 3.27Å; D111-R196 IonicContact OD2-NH1 2.73Å; D111-R196 PolarHBondContact OD2-NH1 3.18Å; D111-R196 IonicContact OD2-NH2 3.27Å; D111-R196 PolarHBondContact OD2-NH2 2.85Å; G192-R196 WeakPolarHBondContact O-CG 3.44Å; G192-R196 PolarHBondContact O-N 3.13Å; G192-R196 VanDerWaalsContact O-N 3.15Å; Q193-R196 PolarHBondContact O-N 3.27Å; R196-L198 VanDerWaalsContact C-N 3.3Å; R196-L198 PolarHBondContact O-N 3.39Å; R196-K199 PolarHBondContact O-N 3.35Å
197D85.9Confident82Confident34 Ų3455.4 Ų55.418%0.18228%0.279CS..Hα-helixtrans-69.2-30.2177.9-62.5-21.2000111.7S184 Q193 I200 V201S184-D197 WeakPolarHBondContact CB-OD2 3.48Å; S184-D197 PolarHBondContact OG-OD2 3.04Å; Q193-D197 PolarHBondContact NE2-OD1 3.22Å; Q193-D197 VanDerWaalsContact O-CG 3.24Å; Q193-D197 PolarHBondContact O-N 2.94Å; D197-I200 WeakPolarHBondContact O-CG1 3.35Å; D197-V201 WeakPolarHBondContact O-CG2 3.42Å
198L87.8Confident82.5Confident1 Ų154.5 Ų54.51%0.00527%0.272CS..Hα-helixtrans-73.2-29.7177.2-167.764.1000113.3F137 W144 F147 L169 L173 L177 V181 A194 L195 R196 I200F137-L198 HydrophobicContact CD1-CD1 3.99Å; F137-L198 HydrophobicContact CD1-CD2 4.1Å; F137-L198 HydrophobicContact CD1-CG 4.03Å; F137-L198 HydrophobicContact CE1-CD1 4.02Å; F137-L198 HydrophobicContact CE1-CD2 4.38Å; F137-L198 HydrophobicContact CE1-CG 3.89Å; W144-L198 HydrophobicContact CH2-CB 4.29Å; W144-L198 HydrophobicContact CH2-CD2 4.46Å; W144-L198 HydrophobicContact CH2-CG 4.42Å; W144-L198 HydrophobicContact CZ3-CB 4.1Å; W144-L198 HydrophobicContact CZ3-CD2 3.83Å; W144-L198 HydrophobicContact CZ3-CG 3.76Å; F147-L198 HydrophobicContact CE1-CD2 3.85Å; L169-L198 HydrophobicContact CD1-CD2 3.99Å; L173-L198 HydrophobicContact CD1-CD1 3.98Å; L173-L198 HydrophobicContact CD2-CD1 3.95Å; L173-L198 HydrophobicContact CD2-CD2 3.65Å; L173-L198 HydrophobicContact CD2-CG 4.46Å; L177-L198 HydrophobicContact CD1-CD1 4.01Å; L177-L198 HydrophobicContact CD2-CD1 3.63Å; L177-L198 HydrophobicContact CG-CD1 3.85Å; V181-L198 HydrophobicContact CG2-CD1 4.39Å; A194-L198 WeakPolarHBondContact O-CB 3.5Å; A194-L198 PolarHBondContact O-N 3.34Å; L195-L198 PolarHBondContact O-N 3.28Å; R196-L198 VanDerWaalsContact C-N 3.3Å; R196-L198 PolarHBondContact O-N 3.39Å; L198-I200 PolarHBondContact O-N 3.3Å
199K85Confident83.4Confident98 Ų9852.4 Ų52.443%0.42626%0.26SS..THydrogen-bonded Turntrans-67.1-20.8177.3-178.7173.3176.2164.20113.5D104 W144 L195 R196D104-K199 IonicContact OD1-NZ 2.74Å; D104-K199 PolarHBondContact OD1-NZ 3.41Å; D104-K199 WeakPolarHBondContact OD2-CD 3.28Å; D104-K199 WeakPolarHBondContact OD2-CE 3.38Å; D104-K199 IonicContact OD2-NZ 2.82Å; D104-K199 PolarHBondContact OD2-NZ 3.18Å; W144-K199 HydrophobicContact CH2-CB 4.03Å; W144-K199 HydrophobicContact CZ2-CB 3.62Å; W144-K199 HydrophobicContact CZ2-CD 4.34Å; W144-K199 HydrophobicContact CZ2-CG 4.02Å; L195-K199 PolarHBondContact O-N 3.43Å; R196-K199 PolarHBondContact O-N 3.35Å
200I77.1Confident84.4Confident136 Ų13647.7 Ų47.770%0.69723%0.234SC*.THydrogen-bonded Turntrans-109.48.6-170.563.1166.6000114.3D197 L198D197-I200 WeakPolarHBondContact O-CG1 3.35Å; L198-I200 PolarHBondContact O-N 3.3Å
201V68.4Low84.8Confident86 Ų8645 Ų4552%0.52122%0.22SC..  trans-83.10173.6-171.40000110.5L177 V181 D197L177-V201 HydrophobicContact CD1-CB 3.97Å; L177-V201 HydrophobicContact CD1-CG1 3.65Å; L177-V201 HydrophobicContact CD1-CG2 3.91Å; V181-V201 HydrophobicContact CG1-CG2 4.02Å; D197-V201 WeakPolarHBondContact O-CG2 3.42Å

Retrieved 201 of 201 residues in 216.6 ms (Link to these results)