A0A060WK48_ONCMY Loading...

Hemojuvelin BMP co-receptor

AlphaFold DB , UniProt , Accession A0A060WK48, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110513019, Length 424 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low40.8Very low246 Ų246145.6 Ų145.6100%1.21284%0.841SS**  0130.20-74.9158.275.700106.9
2G42.8Very low41.3Very low72 Ų72144.5 Ų144.574%0.74282%0.822SS**  trans-78.6-178-154.100000117.9
3T33.6Very low41.5Very low133 Ų133141.2 Ų141.282%0.81680%0.8SS**  trans-178.1100.2149.816.40000106.1
4L36.2Very low42.5Very low167 Ų167136.1 Ų136.187%0.87478%0.778SS**  93.611391.5-86.8177.7000112.5
5A45.2Very low43.3Very low90 Ų90138.1 Ų138.174%0.74477%0.768SS**  trans-57.8140.616800000111.6
6L44.4Very low44.3Very low174 Ų174137.1 Ų137.191%0.91175%0.753SS**  trans-162.588.5151.2-134.5100.6000110.8
7C39.5Very low45.6Very low136 Ų136138.5 Ų138.592%0.91974%0.744SS**  trans-171.982.8152.4-104.60000110.6
8S42.7Very low46.6Very low110 Ų110134.7 Ų134.777%0.76973%0.73SS**SBendtrans-157.340.7163.6-170.90000112.4
9H42.2Very low48.2Very low163 Ų163131.1 Ų131.176%0.75571%0.713SS**SBendtrans-132.1-2.5179.3-119.5-84.9000115
10Y40.8Very low49.5Very low217 Ų217129.6 Ų129.685%0.85170%0.703SS**SBendtrans-91.2-26.4-174-150.5-96.7000114.1
11S47.4Very low50.7Low94 Ų94127.2 Ų127.266%0.65769%0.693SS**Hα-helixtrans-80.2-33.8-176.550.20000114L13S11-L13 PolarHBondContact O-N 3.38Å
12Q46.9Very low52.6Low132 Ų132118.2 Ų118.262%0.61766%0.657SS**Hα-helixtrans-72.5-28-176.5-116.6-168.20.600113.9
13L43.8Very low54.2Low101 Ų101120.4 Ų120.453%0.52965%0.649SS.*Hα-helixtrans-79.9-26.9-178.8-159.971.2000112.3S11 R17S11-L13 PolarHBondContact O-N 3.38Å; L13-R17 VanDerWaalsContact O-CG 3.3Å; L13-R17 WeakPolarHBondContact O-CG 3.44Å; L13-R17 PolarHBondContact O-N 3.02Å
14S55.4Low56.1Low70 Ų70118.8 Ų118.849%0.4964%0.635SS.*Hα-helixtrans-70.7-48.2179.2177.90000111.9K16 R17 S18S14-K16 PolarHBondContact O-N 3.09Å; S14-R17 PolarHBondContact O-N 3.22Å; S14-S18 PolarHBondContact O-N 3Å; S14-S18 PolarHBondContact O-OG 3.04Å
15W54.2Low57.7Low167 Ų167115.8 Ų115.863%0.63362%0.62SS**Hα-helixtrans-60.9-47180178-96.5000112.8R17 S18 V19W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 3.44Å; W15-S18 PolarHBondContact O-N 3.45Å; W15-V19 HydrophobicContact CD2-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.38Å; W15-V19 WeakPolarHBondContact O-CG2 3.45Å; W15-V19 PolarHBondContact O-N 2.98Å
16K60Low58.9Low121 Ų121118 Ų11853%0.52661%0.613SS.*Hα-helixtrans-61.7-38.6179.2-67.8-178.1-179.9-177.70111.8S14 I20S14-K16 PolarHBondContact O-N 3.09Å; K16-I20 WeakPolarHBondContact O-CD1 3.48Å; K16-I20 WeakPolarHBondContact O-CG1 3.43Å; K16-I20 PolarHBondContact O-N 3.43Å; K16-I20 VanDerWaalsContact O-N 3.08Å
17R66.1Low59.9Low162 Ų162115.6 Ų115.661%0.61160%0.597SS**Hα-helixtrans-68.6-42175.9-74.5178.4179.2-162.60.4111.9L13 S14 W15 V19 I20 V21L13-R17 VanDerWaalsContact O-CG 3.3Å; L13-R17 WeakPolarHBondContact O-CG 3.44Å; L13-R17 PolarHBondContact O-N 3.02Å; S14-R17 PolarHBondContact O-N 3.22Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 3.44Å; R17-V19 PolarHBondContact O-N 3.45Å; R17-I20 PolarHBondContact O-N 3.48Å; R17-V21 WeakPolarHBondContact O-CB 3.34Å; R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.31Å; R17-V21 PolarHBondContact O-N 3.31Å
18S64.1Low61Low70 Ų70114.6 Ų114.649%0.4958%0.582SS.*Hα-helixtrans-63.8-39.3176.9-64.30000112.5S14 W15 V21 A22S14-S18 PolarHBondContact O-N 3Å; S14-S18 PolarHBondContact O-OG 3.04Å; W15-S18 PolarHBondContact O-N 3.45Å; S18-V21 PolarHBondContact O-N 3.02Å; S18-A22 WeakPolarHBondContact O-CB 3.43Å; S18-A22 PolarHBondContact O-N 2.79Å
19V75.8Confident61.7Low65 Ų65113.1 Ų113.139%0.39457%0.57SS.*Hα-helixtrans-65.6-43.4174.8173.40000111.2W15 R17 A22 M23W15-V19 HydrophobicContact CD2-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.38Å; W15-V19 WeakPolarHBondContact O-CG2 3.45Å; W15-V19 PolarHBondContact O-N 2.98Å; R17-V19 PolarHBondContact O-N 3.45Å; V19-A22 PolarHBondContact O-N 3.19Å; V19-M23 HydrophobicContact CG1-CG 4.43Å; V19-M23 WeakPolarHBondContact O-CB 3.44Å; V19-M23 VanDerWaalsContact O-CG 3.24Å; V19-M23 WeakPolarHBondContact O-CG 3.39Å; V19-M23 PolarHBondContact O-N 2.93Å
20I74.6Confident62.3Low101 Ų101107.8 Ų107.852%0.51855%0.551SS.*Hα-helixtrans-64.7-41.7177.6-68164.6000111.2K16 R17 M23 L24K16-I20 WeakPolarHBondContact O-CD1 3.48Å; K16-I20 WeakPolarHBondContact O-CG1 3.43Å; K16-I20 PolarHBondContact O-N 3.43Å; K16-I20 VanDerWaalsContact O-N 3.08Å; R17-I20 PolarHBondContact O-N 3.48Å; I20-M23 PolarHBondContact O-N 2.83Å; I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 3.05Å
21V75.2Confident62.9Low81 Ų81103.7 Ų103.749%0.49154%0.543SS..Hα-helixtrans-65.7-41176.9170.80000111.3R17 S18 L24 L25R17-V21 WeakPolarHBondContact O-CB 3.34Å; R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.31Å; R17-V21 PolarHBondContact O-N 3.31Å; S18-V21 PolarHBondContact O-N 3.02Å; V21-L24 PolarHBondContact O-N 2.86Å; V21-L25 HydrophobicContact CG1-CD1 3.84Å; V21-L25 HydrophobicContact CG1-CG 4.48Å; V21-L25 WeakPolarHBondContact O-CB 3.2Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3.16Å
22A73.1Confident63.1Low56 Ų56106.8 Ų106.846%0.46355%0.547SS..Hα-helixtrans-64.4-42.2175.500000112.1S18 V19 L25 F26S18-A22 WeakPolarHBondContact O-CB 3.43Å; S18-A22 PolarHBondContact O-N 2.79Å; V19-A22 PolarHBondContact O-N 3.19Å; A22-L25 PolarHBondContact O-N 3.12Å; A22-F26 VanDerWaalsContact O-CB 3.26Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 3.4Å
23M76Confident63.2Low118 Ų118106 Ų10658%0.58155%0.551SS**Hα-helixtrans-65.3-38.9175.7-70.7-68.1-78.400112.1V19 I20 F26 H27V19-M23 HydrophobicContact CG1-CG 4.43Å; V19-M23 WeakPolarHBondContact O-CB 3.44Å; V19-M23 VanDerWaalsContact O-CG 3.24Å; V19-M23 WeakPolarHBondContact O-CG 3.39Å; V19-M23 PolarHBondContact O-N 2.93Å; I20-M23 PolarHBondContact O-N 2.83Å; M23-F26 PolarHBondContact O-N 3.07Å; M23-H27 WeakPolarHBondContact O-CB 3.43Å; M23-H27 PolarHBondContact O-N 2.96Å
24L74.2Confident63.6Low99 Ų99112.4 Ų112.452%0.51857%0.568SS.*Hα-helixtrans-66.8-43174.9-81.2162.8000112.2I20 V21 H27 L28I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 3.05Å; V21-L24 PolarHBondContact O-N 2.86Å; L24-H27 PolarHBondContact O-N 3.43Å; L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 PolarHBondContact O-N 3.32Å
25L69.3Low63.7Low104 Ų104111.7 Ų111.755%0.54557%0.567SS.*Hα-helixtrans-65.8-38.5175.6-77.7166.1000111.9V21 A22 L28 C29V21-L25 HydrophobicContact CG1-CD1 3.84Å; V21-L25 HydrophobicContact CG1-CG 4.48Å; V21-L25 WeakPolarHBondContact O-CB 3.2Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3.16Å; A22-L25 PolarHBondContact O-N 3.12Å; L25-L28 PolarHBondContact O-N 3.33Å; L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 3.46Å; L25-C29 PolarHBondContact O-SG 2.94Å
26F71.8Confident64.7Low137 Ų137107.2 Ų107.260%0.60156%0.56SS**Hα-helixtrans-64.7-44.5173.8-175.6-101.7000111.2A22 M23 L28 C29 C30A22-F26 VanDerWaalsContact O-CB 3.26Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 3.4Å; M23-F26 PolarHBondContact O-N 3.07Å; F26-L28 PolarHBondContact O-N 3.41Å; F26-C29 PolarHBondContact O-N 2.88Å; F26-C30 VanDerWaalsContact CE1-SG 3.6Å; F26-C30 WeakPolarHBondContact O-CB 3.26Å; F26-C30 PolarHBondContact O-N 2.96Å; F26-C30 PolarHBondContact O-SG 3.29Å
27H65.3Low65.9Low124 Ų124103.4 Ų103.457%0.57455%0.549SS*.Hα-helixtrans-60.7-46.2173.6-115.5-54.3000111.9M23 L24 C29 C30 L31M23-H27 WeakPolarHBondContact O-CB 3.43Å; M23-H27 PolarHBondContact O-N 2.96Å; L24-H27 PolarHBondContact O-N 3.43Å; H27-C29 VanDerWaalsContact C-N 3.32Å; H27-C29 PolarHBondContact O-N 2.72Å; H27-C30 PolarHBondContact O-N 3.11Å; H27-L31 WeakPolarHBondContact O-CB 3.26Å; H27-L31 WeakPolarHBondContact O-CD1 3.4Å; H27-L31 PolarHBondContact O-N 3.48Å
28L62Low67.1Low115 Ų115103.7 Ų103.760%0.60255%0.55SS*.Hα-helixtrans-61.2-38.6176-105.4101.7000112.3L24 L25 F26 Q32L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 PolarHBondContact O-N 3.32Å; L25-L28 PolarHBondContact O-N 3.33Å; F26-L28 PolarHBondContact O-N 3.41Å; L28-Q32 VanDerWaalsContact O-CG 3.26Å; L28-Q32 WeakPolarHBondContact O-CG 3.32Å; L28-Q32 PolarHBondContact O-N 2.93Å
29C57Low68.4Low79 Ų79100.5 Ų100.553%0.53453%0.527SS..Hα-helixtrans-70.2-43176.3-72.90000111.9L25 F26 H27 L31 Q32 V33L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 3.46Å; L25-C29 PolarHBondContact O-SG 2.94Å; F26-C29 PolarHBondContact O-N 2.88Å; H27-C29 VanDerWaalsContact C-N 3.32Å; H27-C29 PolarHBondContact O-N 2.72Å; C29-L31 VanDerWaalsContact C-N 3.31Å; C29-L31 PolarHBondContact O-N 3.45Å; C29-Q32 PolarHBondContact O-N 3.18Å; C29-Q32 VanDerWaalsContact O-N 3.1Å; C29-V33 WeakPolarHBondContact O-CG2 3.47Å; C29-V33 PolarHBondContact O-N 3.48Å
30C55.7Low69Low50 Ų50103.3 Ų103.334%0.33854%0.54SS..Hα-helixtrans-64-34.8177-72.10000112.6F26 H27 Q32 V33F26-C30 VanDerWaalsContact CE1-SG 3.6Å; F26-C30 WeakPolarHBondContact O-CB 3.26Å; F26-C30 PolarHBondContact O-N 2.96Å; F26-C30 PolarHBondContact O-SG 3.29Å; H27-C30 PolarHBondContact O-N 3.11Å; C30-Q32 VanDerWaalsContact C-N 3.26Å; C30-Q32 PolarHBondContact O-N 3.46Å; C30-V33 PolarHBondContact O-N 3.48Å
31L53.2Low69.7Low131 Ų131106 Ų10669%0.68654%0.543SS*.Hα-helixtrans-66.4-25173.8-91141000113.3H27 C29H27-L31 WeakPolarHBondContact O-CB 3.26Å; H27-L31 WeakPolarHBondContact O-CD1 3.4Å; H27-L31 PolarHBondContact O-N 3.48Å; C29-L31 VanDerWaalsContact C-N 3.31Å; C29-L31 PolarHBondContact O-N 3.45Å
32Q51.7Low70.4Confident160 Ų160102.3 Ų102.375%0.74852%0.521SS*.Hα-helixtrans-84-22.7177.5-66.9-85.1-4000112.8L28 C29 C30 W34L28-Q32 VanDerWaalsContact O-CG 3.26Å; L28-Q32 WeakPolarHBondContact O-CG 3.32Å; L28-Q32 PolarHBondContact O-N 2.93Å; C29-Q32 PolarHBondContact O-N 3.18Å; C29-Q32 VanDerWaalsContact O-N 3.1Å; C30-Q32 VanDerWaalsContact C-N 3.26Å; C30-Q32 PolarHBondContact O-N 3.46Å; Q32-W34 VanDerWaalsContact C-N 3.3Å; Q32-W34 PolarHBondContact O-N 3.5Å
33V48.1Very low71.3Confident114 Ų114101.3 Ų101.369%0.69151%0.508SS*.THydrogen-bonded Turntrans-78.9-10.3-174173.60000113C29 C30C29-V33 WeakPolarHBondContact O-CG2 3.47Å; C29-V33 PolarHBondContact O-N 3.48Å; C30-V33 PolarHBondContact O-N 3.48Å
34W52.1Low71.8Confident236 Ų23698.3 Ų98.389%0.89450%0.498SS*.THydrogen-bonded Turntrans-103.511.9-172-76.334.5000115.1Q32Q32-W34 VanDerWaalsContact C-N 3.3Å; Q32-W34 PolarHBondContact O-N 3.5Å
35A57.3Low72.4Confident56 Ų5696.6 Ų96.646%0.46349%0.49SS..  trans-139.473.917600000111.6C37 A88A35-C37 PolarHBondContact O-N 3.02Å; A35-A88 HydrophobicContact CB-CB 3.92Å; A35-A88 WeakPolarHBondContact O-CB 3.47Å
36S75.8Confident73.4Confident72 Ų7292.9 Ų92.950%0.50347%0.469SS..  trans-63.9129.9169.363.40000109.9R38S36-R38 PolarHBondContact O-N 2.72Å; S36-R38 PolarHBondContact OG-NE 2.96Å
37C86.2Confident74.2Confident41 Ų4189.9 Ų89.928%0.27746%0.462SS..  trans-62120.9171.1178.40000110.2A35 C89A35-C37 PolarHBondContact O-N 3.02Å; C37-C89 WeakPolarHBondContact CA-SG 3.3Å; C37-C89 HydrophobicContact CB-CB 3.96Å; C37-C89 WeakPolarHBondContact CB-SG 3.24Å; C37-C89 VanDerWaalsContact SG-CA 3.55Å; C37-C89 WeakPolarHBondContact SG-CB 3.35Å; C37-C89 CovalentContact SG-SG 2.03Å; C37-C89 PolarHBondContact SG-SG 3.29Å
38R89.9Confident74.9Confident168 Ų16886.7 Ų86.763%0.63446%0.457SS*.  trans-117.541.5179.6-66.1-172.7-179.7-163.90.5112.4S36 L40 R41S36-R38 PolarHBondContact O-N 2.72Å; S36-R38 PolarHBondContact OG-NE 2.96Å; R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 2.9Å; R38-R41 HydrophobicContact CB-CB 4.46Å; R38-R41 WeakPolarHBondContact O-CB 3.25Å; R38-R41 PolarHBondContact O-N 2.93Å; R38-R41 VanDerWaalsContact O-N 3.1Å
39I91.9Very high75.9Confident3 Ų383.7 Ų83.72%0.01544%0.443CS..Hα-helixtrans-57.4-39.9-179.8179.161.1000112.8R41 C42 N43 T82 V94 Y95 A98I39-R41 PolarHBondContact O-N 3.1Å; I39-R41 VanDerWaalsContact O-N 3.08Å; I39-C42 HydrophobicContact CD1-CB 4.3Å; I39-C42 WeakPolarHBondContact O-CB 3.47Å; I39-C42 PolarHBondContact O-N 3.31Å; I39-N43 WeakPolarHBondContact CD1-OD1 3.24Å; I39-N43 PolarHBondContact O-N 3.23Å; I39-N43 PolarHBondContact O-OD1 3.37Å; I39-N43 VanDerWaalsContact O-OD1 3.11Å; I39-T82 HydrophobicContact CD1-CG2 3.69Å; I39-V94 HydrophobicContact CG1-CG1 4.08Å; I39-V94 HydrophobicContact CG2-CB 4.05Å; I39-V94 HydrophobicContact CG2-CG1 4.08Å; I39-Y95 HydrophobicContact CD1-CD2 4.18Å; I39-A98 HydrophobicContact CD1-CB 3.79Å; I39-A98 HydrophobicContact CG1-CB 4.31Å
40L89.4Confident77.1Confident125 Ų12581 Ų8165%0.65442%0.424SS*.Hα-helixtrans-57-29.6179.3-66.3176000112.7R38 N43 S44 V94R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 2.9Å; L40-N43 PolarHBondContact O-N 3.38Å; L40-S44 WeakPolarHBondContact O-CB 3.33Å; L40-S44 PolarHBondContact O-N 2.92Å; L40-S44 PolarHBondContact O-OG 3.46Å; L40-V94 HydrophobicContact CD2-CG1 4.31Å
41R88.1Confident78Confident157 Ų15784.2 Ų84.259%0.59244%0.438SS*.Hα-helixtrans-69.9-44.9174.9-176.463.9-165.5-1621.1112R38 I39 N43 S44 D45R38-R41 HydrophobicContact CB-CB 4.46Å; R38-R41 WeakPolarHBondContact O-CB 3.25Å; R38-R41 PolarHBondContact O-N 2.93Å; R38-R41 VanDerWaalsContact O-N 3.1Å; I39-R41 PolarHBondContact O-N 3.1Å; I39-R41 VanDerWaalsContact O-N 3.08Å; R41-N43 PolarHBondContact O-N 3.08Å; R41-S44 WeakPolarHBondContact CA-OG 3.41Å; R41-S44 PolarHBondContact O-N 3.32Å; R41-S44 PolarHBondContact O-OG 3.44Å; R41-D45 IonicContact CZ-OD1 3.24Å; R41-D45 VanDerWaalsContact CZ-OD1 3.24Å; R41-D45 IonicContact NE-OD1 2.96Å; R41-D45 PolarHBondContact NE-OD1 3.45Å; R41-D45 IonicContact NE-OD2 3.18Å; R41-D45 PolarHBondContact NE-OD2 3.34Å; R41-D45 IonicContact NH2-OD1 3.17Å; R41-D45 PolarHBondContact NH2-OD1 2.92Å; R41-D45 WeakPolarHBondContact O-CB 3.49Å; R41-D45 PolarHBondContact O-N 3.25Å
42C90.8Very high78.4Confident4 Ų483 Ų833%0.02743%0.432CS..Hα-helixtrans-58.4-39.9173.9-62.20000111.1I39 F46 Y78 C81 T82I39-C42 HydrophobicContact CD1-CB 4.3Å; I39-C42 WeakPolarHBondContact O-CB 3.47Å; I39-C42 PolarHBondContact O-N 3.31Å; C42-F46 PolarHBondContact O-N 3.05Å; C42-F46 VanDerWaalsContact O-N 3.12Å; C42-Y78 HydrophobicContact CB-CD2 3.99Å; C42-Y78 HydrophobicContact CB-CE2 3.91Å; C42-C81 VanDerWaalsContact CA-SG 3.53Å; C42-C81 HydrophobicContact CB-CB 3.81Å; C42-C81 WeakPolarHBondContact CB-SG 3.45Å; C42-C81 VanDerWaalsContact SG-C 3.5Å; C42-C81 WeakPolarHBondContact SG-CB 3.29Å; C42-C81 CovalentContact SG-SG 2.05Å; C42-C81 PolarHBondContact SG-SG 3.44Å; C42-T82 HydrophobicContact CB-CG2 4.26Å
43N91.2Very high79.2Confident35 Ų3578.7 Ų78.719%0.18741%0.414CS..Hα-helixtrans-66.9-47.2178.5-6211.4000111.4I39 L40 R41 D45 F46 V47 Y78I39-N43 WeakPolarHBondContact CD1-OD1 3.24Å; I39-N43 PolarHBondContact O-N 3.23Å; I39-N43 PolarHBondContact O-OD1 3.37Å; I39-N43 VanDerWaalsContact O-OD1 3.11Å; L40-N43 PolarHBondContact O-N 3.38Å; R41-N43 PolarHBondContact O-N 3.08Å; N43-D45 VanDerWaalsContact C-N 3.31Å; N43-D45 PolarHBondContact O-N 2.91Å; N43-F46 PolarHBondContact O-N 3.32Å; N43-V47 WeakPolarHBondContact O-CG2 3.49Å; N43-V47 PolarHBondContact O-N 3.43Å; N43-Y78 WeakPolarHBondContact OD1-CE2 3.37Å; N43-Y78 PolarHBondContact OD1-OH 2.9Å
44S87.9Confident79.4Confident55 Ų5575.4 Ų75.439%0.38540%0.403SS..Hα-helixtrans-62.3-39.8179.363.90000112L40 R41 V47 A48L40-S44 WeakPolarHBondContact O-CB 3.33Å; L40-S44 PolarHBondContact O-N 2.92Å; L40-S44 PolarHBondContact O-OG 3.46Å; R41-S44 WeakPolarHBondContact CA-OG 3.41Å; R41-S44 PolarHBondContact O-N 3.32Å; R41-S44 PolarHBondContact O-OG 3.44Å; S44-V47 PolarHBondContact O-N 3.41Å; S44-A48 VanDerWaalsContact O-CB 3.3Å; S44-A48 WeakPolarHBondContact O-CB 3.32Å; S44-A48 PolarHBondContact O-N 3.01Å
45D86.4Confident79Confident63 Ų6367.8 Ų67.834%0.33740%0.397SS..Hα-helixtrans-66.8-40.4179.4-67.8-16.2000110.9R41 N43 A48 V49R41-D45 IonicContact CZ-OD1 3.24Å; R41-D45 VanDerWaalsContact CZ-OD1 3.24Å; R41-D45 IonicContact NE-OD1 2.96Å; R41-D45 PolarHBondContact NE-OD1 3.45Å; R41-D45 IonicContact NE-OD2 3.18Å; R41-D45 PolarHBondContact NE-OD2 3.34Å; R41-D45 IonicContact NH2-OD1 3.17Å; R41-D45 PolarHBondContact NH2-OD1 2.92Å; R41-D45 WeakPolarHBondContact O-CB 3.49Å; R41-D45 PolarHBondContact O-N 3.25Å; N43-D45 VanDerWaalsContact C-N 3.31Å; N43-D45 PolarHBondContact O-N 2.91Å; D45-A48 PolarHBondContact O-N 2.86Å; D45-V49 VanDerWaalsContact O-CG2 3.28Å; D45-V49 WeakPolarHBondContact O-CG2 3.37Å; D45-V49 PolarHBondContact O-N 3.31Å; D45-V49 VanDerWaalsContact O-N 3.11Å
46F89.6Confident78.3Confident25 Ų2570.8 Ų70.811%0.1142%0.415CS..Hα-helixtrans-63.9-45.8174.5174.7-107.5000112.7C42 N43 V49 T50 Y71 A74 L75 Y78 L105C42-F46 PolarHBondContact O-N 3.05Å; C42-F46 VanDerWaalsContact O-N 3.12Å; N43-F46 PolarHBondContact O-N 3.32Å; F46-V49 PolarHBondContact O-N 3.1Å; F46-T50 HydrophobicContact CD2-CG2 4.07Å; F46-T50 HydrophobicContact CE1-CG2 4.36Å; F46-T50 HydrophobicContact CE2-CG2 3.59Å; F46-T50 HydrophobicContact CZ-CG2 3.76Å; F46-T50 WeakPolarHBondContact O-CG2 3.49Å; F46-T50 PolarHBondContact O-N 2.86Å; F46-T50 PolarHBondContact O-OG1 3.5Å; F46-Y71 HydrophobicContact CZ-CE2 4.43Å; F46-A74 HydrophobicContact CD2-CB 4.2Å; F46-A74 HydrophobicContact CE2-CB 4.17Å; F46-L75 HydrophobicContact CE2-CD2 3.56Å; F46-L75 HydrophobicContact CE2-CG 3.87Å; F46-L75 HydrophobicContact CZ-CD2 3.61Å; F46-L75 HydrophobicContact CZ-CG 4.23Å; F46-Y78 HydrophobicContact CB-CD1 3.82Å; F46-Y78 HydrophobicContact CB-CD2 4.11Å; F46-Y78 HydrophobicContact CB-CE1 4.29Å; F46-Y78 HydrophobicContact CB-CG 3.74Å; F46-Y78 AromaticContact CD1-CD1 3.79Å; F46-Y78 HydrophobicContact CD1-CD1 3.79Å; F46-Y78 AromaticContact CD1-CE1 3.91Å; F46-Y78 HydrophobicContact CD1-CE1 3.91Å; F46-Y78 AromaticContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CG 4.05Å; F46-Y78 HydrophobicContact CE1-CD1 4.3Å; F46-Y78 HydrophobicContact CE1-CE1 4.43Å; F46-Y78 HydrophobicContact CE2-CD1 4.26Å; F46-Y78 AromaticContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CD1 3.48Å; F46-Y78 VanDerWaalsContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CE1 4.02Å; F46-Y78 AromaticContact CG-CG 3.87Å; F46-Y78 HydrophobicContact CG-CG 3.87Å; F46-L105 HydrophobicContact CE1-CD1 4.32Å; F46-L105 HydrophobicContact CZ-CD1 4.2Å
47V88.2Confident76.8Confident74 Ų7470.8 Ų70.845%0.44843%0.426SS..Hα-helixtrans-61.8-46.6177.31720000110.2N43 S44 V49 T50 L51N43-V47 WeakPolarHBondContact O-CG2 3.49Å; N43-V47 PolarHBondContact O-N 3.43Å; S44-V47 PolarHBondContact O-N 3.41Å; V47-V49 VanDerWaalsContact C-N 3.29Å; V47-V49 PolarHBondContact O-N 3.4Å; V47-T50 WeakPolarHBondContact CA-OG1 3.34Å; V47-T50 PolarHBondContact O-N 3.22Å; V47-T50 VanDerWaalsContact O-N 3.11Å; V47-T50 PolarHBondContact O-OG1 3.25Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 3.93Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.43Å
48A81.3Confident74.5Confident58 Ų5872.7 Ų72.748%0.47945%0.453SS..Hα-helixtrans-58-40178.700000112.7S44 D45S44-A48 VanDerWaalsContact O-CB 3.3Å; S44-A48 WeakPolarHBondContact O-CB 3.32Å; S44-A48 PolarHBondContact O-N 3.01Å; D45-A48 PolarHBondContact O-N 2.86Å
49V81.1Confident72Confident51 Ų5168.5 Ų68.531%0.30946%0.462SS..Hα-helixtrans-71.6-33.4178174.50000112.2D45 F46 V47 L53 A74 A118D45-V49 VanDerWaalsContact O-CG2 3.28Å; D45-V49 WeakPolarHBondContact O-CG2 3.37Å; D45-V49 PolarHBondContact O-N 3.31Å; D45-V49 VanDerWaalsContact O-N 3.11Å; F46-V49 PolarHBondContact O-N 3.1Å; V47-V49 VanDerWaalsContact C-N 3.29Å; V47-V49 PolarHBondContact O-N 3.4Å; V49-L53 WeakPolarHBondContact O-CG 3.26Å; V49-A74 HydrophobicContact CB-CB 4.24Å; V49-A74 HydrophobicContact CG1-CB 3.5Å; V49-A74 VanDerWaalsContact CG1-CB 3.5Å; V49-A118 HydrophobicContact CG1-CB 4.34Å
50T82.4Confident69.4Low22 Ų2272.2 Ų72.214%0.13550%0.501CS..Hα-helixtrans-89.3-22.3-174.851.20000114.2F46 V47 D52 L53 G54 Y71 A74F46-T50 HydrophobicContact CD2-CG2 4.07Å; F46-T50 HydrophobicContact CE1-CG2 4.36Å; F46-T50 HydrophobicContact CE2-CG2 3.59Å; F46-T50 HydrophobicContact CZ-CG2 3.76Å; F46-T50 WeakPolarHBondContact O-CG2 3.49Å; F46-T50 PolarHBondContact O-N 2.86Å; F46-T50 PolarHBondContact O-OG1 3.5Å; V47-T50 WeakPolarHBondContact CA-OG1 3.34Å; V47-T50 PolarHBondContact O-N 3.22Å; V47-T50 VanDerWaalsContact O-N 3.11Å; V47-T50 PolarHBondContact O-OG1 3.25Å; T50-D52 VanDerWaalsContact C-N 3.31Å; T50-D52 PolarHBondContact O-N 3.11Å; T50-L53 CarbonylContact O-C 3.56Å; T50-L53 PolarHBondContact O-N 3.39Å; T50-L53 VanDerWaalsContact O-N 3.11Å; T50-G54 PolarHBondContact O-N 3.45Å; T50-Y71 HydrophobicContact CG2-CD2 3.71Å; T50-Y71 HydrophobicContact CG2-CE2 3.6Å; T50-A74 HydrophobicContact CG2-CB 4.02Å
51L75.6Confident67.1Low119 Ų11970.5 Ų70.562%0.62351%0.514SS*.Hα-helixtrans-56.5-42.8176.4-80.1169.5000112.5V47 L53 G54V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 3.93Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.43Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 2.03Å; L51-G54 PolarHBondContact O-N 3.24Å
52D61.9Low65Low104 Ų10466.9 Ų66.956%0.55653%0.525SS*.THydrogen-bonded Turntrans-76-21.3179.4-68.5-22000113.2T50 G54 R121T50-D52 VanDerWaalsContact C-N 3.31Å; T50-D52 PolarHBondContact O-N 3.11Å; D52-G54 VanDerWaalsContact C-N 3.35Å; D52-R121 IonicContact OD2-CZ 3.79Å; D52-R121 IonicContact OD2-NH1 2.76Å; D52-R121 PolarHBondContact OD2-NH1 3.01Å
53L67.8Low62.9Low71 Ų7170.3 Ų70.337%0.37256%0.561SS.*THydrogen-bonded Turntrans-83.6-18.1173-56.6174.8000111.4V49 T50 L51V49-L53 WeakPolarHBondContact O-CG 3.26Å; T50-L53 CarbonylContact O-C 3.56Å; T50-L53 PolarHBondContact O-N 3.39Å; T50-L53 VanDerWaalsContact O-N 3.11Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 2.03Å
54G51.7Low61.1Low44 Ų4472.6 Ų72.645%0.45458%0.58SS.*  trans-94.17.6-168.900000116.1T50 L51 D52 S56 G57T50-G54 PolarHBondContact O-N 3.45Å; L51-G54 PolarHBondContact O-N 3.24Å; D52-G54 VanDerWaalsContact C-N 3.35Å; G54-S56 PolarHBondContact O-N 2.8Å; G54-G57 PolarHBondContact O-N 3.47Å
55G44.9Very low59.6Low76 Ų7681.2 Ų81.278%0.78460%0.604SS**THydrogen-bonded Turntrans-62.1-6.9172.100000115.1
56S43.3Very low58.2Low120 Ų12085.9 Ų85.984%0.83962%0.624SS**THydrogen-bonded Turntrans-115.358.3169.2-71.90000110.9G54G54-S56 PolarHBondContact O-N 2.8Å
57G43.5Very low56.9Low71 Ų7186.4 Ų86.473%0.73264%0.636SS**  trans-80.4119167.600000111.1G54G54-G57 PolarHBondContact O-N 3.47Å
58G38.3Very low56.2Low81 Ų8186.4 Ų86.484%0.83563%0.634SS**SBendtrans106.1110.9157.900000116
59G36.2Very low56.1Low81 Ų8186.5 Ų86.584%0.83563%0.634SS**SBendtrans93.4109.5157.800000115.7
60G36.9Very low56.2Low81 Ų8185.2 Ų85.284%0.83563%0.631SS**SBendtrans77.398.7150.800000117.1
61G42.6Very low56.4Low89 Ų8986.4 Ų86.492%0.91863%0.634SS**SBendtrans44.792.9143.700000118.6
62G43.8Very low57.1Low80 Ų8081 Ų8183%0.82561%0.606SS**  trans143.148.1160.700000116S64G62-S64 PolarHBondContact O-N 2.94Å
63G45.5Very low58.4Low77 Ų7777 Ų7779%0.79459%0.586SS**  trans-70.5124.1169.600000110.7R65G63-R65 PolarHBondContact O-N 3.22Å
64S54.5Low59.5Low82 Ų8273.7 Ų73.757%0.57357%0.569SS**  trans-49.6134.7171174.80000110G62 E66 G67 N68G62-S64 PolarHBondContact O-N 2.94Å; S64-E66 PolarHBondContact O-N 3.49Å; S64-G67 PolarHBondContact O-N 3.46Å; S64-N68 PolarHBondContact O-N 3.36Å
65R55.9Low61.5Low236 Ų23671.6 Ų71.689%0.89155%0.547SS*.Hα-helixtrans-49.2-29178.3-101.4179.3163.8122.3-4112.8G63 A69G63-R65 PolarHBondContact O-N 3.22Å; R65-A69 PolarHBondContact O-N 3.26Å
66E56.3Low63.8Low162 Ų16269 Ų6976%0.75751%0.514SS*.Hα-helixtrans-76.2-37.9-176.7-155.7163.5-167.100113S64 A69 G70S64-E66 PolarHBondContact O-N 3.49Å; E66-A69 PolarHBondContact O-N 2.95Å; E66-G70 PolarHBondContact O-N 2.92Å; E66-G70 VanDerWaalsContact O-N 3.08Å
67G62.7Low66Low36 Ų3664.9 Ų64.937%0.37149%0.485SS..Hα-helixtrans-68.7-37.8176.100000112.8S64 G70 Y71S64-G67 PolarHBondContact O-N 3.46Å; G67-G70 PolarHBondContact O-N 3.37Å; G67-Y71 PolarHBondContact O-N 2.9Å
68N73.5Confident68.4Low74 Ų7462.5 Ų62.540%0.39645%0.454SS..Hα-helixtrans-68.5-36.4175.3-162.939.6000111.9S64 Y71 C72S64-N68 PolarHBondContact O-N 3.36Å; N68-Y71 PolarHBondContact O-N 3.31Å; N68-C72 PolarHBondContact O-N 2.9Å; N68-C72 PolarHBondContact O-SG 3.42Å
69A79.4Confident71Confident59 Ų5960.2 Ų60.249%0.48843%0.427SS..Hα-helixtrans-64.9-41.6175.100000112.2R65 E66 C72 S73R65-A69 PolarHBondContact O-N 3.26Å; E66-A69 PolarHBondContact O-N 2.95Å; A69-C72 PolarHBondContact O-N 3.39Å; A69-S73 WeakPolarHBondContact O-CB 3.01Å; A69-S73 PolarHBondContact O-N 2.9Å
70G83.4Confident73.7Confident24 Ų2460.6 Ų60.625%0.24741%0.408CS..Hα-helixtrans-62.2-43.3173.600000112.6E66 G67 S73 A74E66-G70 PolarHBondContact O-N 2.92Å; E66-G70 VanDerWaalsContact O-N 3.08Å; G67-G70 PolarHBondContact O-N 3.37Å; G70-S73 WeakPolarHBondContact O-CB 3.43Å; G70-S73 PolarHBondContact O-N 3.47Å; G70-A74 PolarHBondContact O-N 3.29Å
71Y87Confident76.4Confident47 Ų4758.6 Ų58.618%0.18438%0.381CS..Hα-helixtrans-63.6-44.7177.3-166-97.4000112.2F46 T50 G67 N68 S73 A74 L75 H109F46-Y71 HydrophobicContact CZ-CE2 4.43Å; T50-Y71 HydrophobicContact CG2-CD2 3.71Å; T50-Y71 HydrophobicContact CG2-CE2 3.6Å; G67-Y71 PolarHBondContact O-N 2.9Å; N68-Y71 PolarHBondContact O-N 3.31Å; Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 2.92Å; Y71-A74 WeakPolarHBondContact O-CB 3.41Å; Y71-A74 PolarHBondContact O-N 3.36Å; Y71-L75 HydrophobicContact CD1-CD1 3.81Å; Y71-L75 HydrophobicContact CD1-CG 4.33Å; Y71-L75 HydrophobicContact CE1-CD1 3.58Å; Y71-L75 HydrophobicContact CE1-CG 4.08Å; Y71-L75 PolarHBondContact O-N 3.49Å; Y71-H109 HydrophobicContact CD1-CB 4.21Å; Y71-H109 AromaticContact CD1-CG 3.82Å; Y71-H109 AromaticContact CD1-ND1 3.92Å; Y71-H109 HydrophobicContact CE1-CB 4.3Å; Y71-H109 AromaticContact CE1-CD2 3.45Å; Y71-H109 VanDerWaalsContact CE1-CD2 3.45Å; Y71-H109 WeakPolarHBondContact CE1-CD2 3.18Å; Y71-H109 AromaticContact CE1-CE1 3.9Å; Y71-H109 AromaticContact CE1-CG 3.62Å; Y71-H109 AromaticContact CE1-ND1 3.9Å; Y71-H109 AromaticContact CE1-NE2 3.65Å
72C90.2Very high78.8Confident6 Ų654.7 Ų54.74%0.04134%0.339CS..Hα-helixtrans-65.5-32.7174.9-65.50000113.1N68 A69 R76 C111N68-C72 PolarHBondContact O-N 2.9Å; N68-C72 PolarHBondContact O-SG 3.42Å; A69-C72 PolarHBondContact O-N 3.39Å; C72-R76 WeakPolarHBondContact O-CG 3.15Å; C72-R76 PolarHBondContact O-N 3.38Å; C72-R76 VanDerWaalsContact O-N 3.13Å; C72-C111 WeakPolarHBondContact CA-SG 3.46Å; C72-C111 HydrophobicContact CB-CB 3.63Å; C72-C111 WeakPolarHBondContact CB-SG 3.42Å; C72-C111 WeakPolarHBondContact SG-CA 3.04Å; C72-C111 WeakPolarHBondContact SG-CB 3.44Å; C72-C111 CovalentContact SG-SG 2.04Å; C72-C111 PolarHBondContact SG-SG 2.04Å
73S89.6Confident81.1Confident19 Ų1960 Ų6013%0.13334%0.335CS..Hα-helixtrans-65.2-42.6173-174.50000111.7A69 G70 Y71 R76 S77 P116 A118A69-S73 WeakPolarHBondContact O-CB 3.01Å; A69-S73 PolarHBondContact O-N 2.9Å; G70-S73 WeakPolarHBondContact O-CB 3.43Å; G70-S73 PolarHBondContact O-N 3.47Å; Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 2.92Å; S73-R76 PolarHBondContact O-N 3.46Å; S73-S77 PolarHBondContact O-N 3.3Å; S73-S77 PolarHBondContact O-OG 3.36Å; S73-P116 WeakPolarHBondContact CB-O 3.37Å; S73-P116 PolarHBondContact OG-O 2.88Å; S73-A118 PolarHBondContact O-N 3.48Å; S73-A118 VanDerWaalsContact OG-CA 3.31Å; S73-A118 WeakPolarHBondContact OG-CA 3.42Å; S73-A118 PolarHBondContact OG-N 3.23Å
74A90.5Very high83.2Confident2 Ų265.8 Ų65.82%0.01733%0.332CS..Hα-helixtrans-63.1-45.9175.300000112.5F46 V49 T50 G70 Y71 R76 S77 Y78F46-A74 HydrophobicContact CD2-CB 4.2Å; F46-A74 HydrophobicContact CE2-CB 4.17Å; V49-A74 HydrophobicContact CB-CB 4.24Å; V49-A74 HydrophobicContact CG1-CB 3.5Å; V49-A74 VanDerWaalsContact CG1-CB 3.5Å; T50-A74 HydrophobicContact CG2-CB 4.02Å; G70-A74 PolarHBondContact O-N 3.29Å; Y71-A74 WeakPolarHBondContact O-CB 3.41Å; Y71-A74 PolarHBondContact O-N 3.36Å; A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.48Å; A74-S77 WeakPolarHBondContact O-CB 3.47Å; A74-S77 PolarHBondContact O-N 2.96Å; A74-Y78 PolarHBondContact O-N 2.84Å
75L92.6Very high84.7Confident0 Ų064.4 Ų64.40%032%0.318CS..Hα-helixtrans-60.2-38.9176-79.5173000112.4F46 Y71 Y78 A79 L105 L106F46-L75 HydrophobicContact CE2-CD2 3.56Å; F46-L75 HydrophobicContact CE2-CG 3.87Å; F46-L75 HydrophobicContact CZ-CD2 3.61Å; F46-L75 HydrophobicContact CZ-CG 4.23Å; Y71-L75 HydrophobicContact CD1-CD1 3.81Å; Y71-L75 HydrophobicContact CD1-CG 4.33Å; Y71-L75 HydrophobicContact CE1-CD1 3.58Å; Y71-L75 HydrophobicContact CE1-CG 4.08Å; Y71-L75 PolarHBondContact O-N 3.49Å; L75-Y78 PolarHBondContact O-N 3.45Å; L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.15Å; L75-L105 HydrophobicContact CD1-CB 3.97Å; L75-L105 HydrophobicContact CD2-CB 3.62Å; L75-L105 HydrophobicContact CD2-CD1 3.84Å; L75-L105 HydrophobicContact CD2-CG 4.38Å; L75-L105 HydrophobicContact CG-CB 4.47Å; L75-L106 HydrophobicContact CB-CD2 3.97Å; L75-L106 HydrophobicContact CD1-CD2 4.24Å
76R93Very high86.3Confident22 Ų2254.9 Ų54.98%0.08329%0.289CS..Hα-helixtrans-67-39.3175.5-77.4-172.1-94.293.41112.4C72 S73 A74 Y78 A79 M80 P112 G115 P116 T117C72-R76 WeakPolarHBondContact O-CG 3.15Å; C72-R76 PolarHBondContact O-N 3.38Å; C72-R76 VanDerWaalsContact O-N 3.13Å; S73-R76 PolarHBondContact O-N 3.46Å; A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.48Å; R76-Y78 VanDerWaalsContact C-N 3.35Å; R76-A79 PolarHBondContact O-N 2.84Å; R76-M80 WeakPolarHBondContact O-CG 3.4Å; R76-M80 PolarHBondContact O-N 2.92Å; R76-P112 WeakPolarHBondContact CD-O 3.38Å; R76-P112 PolarHBondContact NE-O 3.25Å; R76-P112 VanDerWaalsContact NE-O 3.14Å; R76-G115 PolarHBondContact NH1-O 2.93Å; R76-G115 VanDerWaalsContact NH1-O 3.14Å; R76-P116 VanDerWaalsContact NH1-N 3.11Å; R76-P116 PolarHBondContact NH1-O 3.24Å; R76-T117 HydrophobicContact CB-CG2 4.45Å
77S91.3Very high87.8Confident34 Ų3457.1 Ų57.124%0.23829%0.291CS..Hα-helixtrans-62.3-42.9172.1-67.30000111.9S73 A74 M80 C81 T117 A118S73-S77 PolarHBondContact O-N 3.3Å; S73-S77 PolarHBondContact O-OG 3.36Å; A74-S77 WeakPolarHBondContact O-CB 3.47Å; A74-S77 PolarHBondContact O-N 2.96Å; S77-M80 PolarHBondContact O-N 3.04Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.15Å; S77-T117 VanDerWaalsContact OG-CB 3.29Å; S77-T117 WeakPolarHBondContact OG-CB 3.26Å; S77-A118 PolarHBondContact OG-N 3.07Å
78Y93.2Very high88.9Confident21 Ų2156.9 Ų56.98%0.08229%0.285CS..Hα-helixtrans-63.1-45.6178.6-173.1-158.5000111.4C42 N43 F46 A74 L75 R76 M80 C81 T82 A98 I102C42-Y78 HydrophobicContact CB-CD2 3.99Å; C42-Y78 HydrophobicContact CB-CE2 3.91Å; N43-Y78 WeakPolarHBondContact OD1-CE2 3.37Å; N43-Y78 PolarHBondContact OD1-OH 2.9Å; F46-Y78 HydrophobicContact CB-CD1 3.82Å; F46-Y78 HydrophobicContact CB-CD2 4.11Å; F46-Y78 HydrophobicContact CB-CE1 4.29Å; F46-Y78 HydrophobicContact CB-CG 3.74Å; F46-Y78 AromaticContact CD1-CD1 3.79Å; F46-Y78 HydrophobicContact CD1-CD1 3.79Å; F46-Y78 AromaticContact CD1-CE1 3.91Å; F46-Y78 HydrophobicContact CD1-CE1 3.91Å; F46-Y78 AromaticContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CG 4.05Å; F46-Y78 HydrophobicContact CE1-CD1 4.3Å; F46-Y78 HydrophobicContact CE1-CE1 4.43Å; F46-Y78 HydrophobicContact CE2-CD1 4.26Å; F46-Y78 AromaticContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CD1 3.48Å; F46-Y78 VanDerWaalsContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CE1 4.02Å; F46-Y78 AromaticContact CG-CG 3.87Å; F46-Y78 HydrophobicContact CG-CG 3.87Å; A74-Y78 PolarHBondContact O-N 2.84Å; L75-Y78 PolarHBondContact O-N 3.45Å; R76-Y78 VanDerWaalsContact C-N 3.35Å; Y78-M80 VanDerWaalsContact C-N 3.33Å; Y78-M80 PolarHBondContact O-N 3.44Å; Y78-C81 PolarHBondContact O-N 3.25Å; Y78-T82 HydrophobicContact CD2-CG2 3.89Å; Y78-T82 HydrophobicContact CE2-CG2 3.68Å; Y78-T82 WeakPolarHBondContact O-CG2 3.17Å; Y78-T82 PolarHBondContact O-N 3.32Å; Y78-T82 PolarHBondContact O-OG1 3.45Å; Y78-A98 WeakPolarHBondContact OH-CB 3.4Å; Y78-I102 HydrophobicContact CD1-CD1 3.62Å; Y78-I102 HydrophobicContact CD1-CG1 3.31Å; Y78-I102 HydrophobicContact CD2-CD1 3.92Å; Y78-I102 HydrophobicContact CE1-CD1 3.7Å; Y78-I102 HydrophobicContact CE1-CG1 3.39Å; Y78-I102 HydrophobicContact CE2-CD1 4Å; Y78-I102 HydrophobicContact CG-CD1 3.71Å; Y78-I102 HydrophobicContact CG-CG1 3.92Å
79A93.7Very high89.7Confident32 Ų3253.4 Ų53.426%0.26427%0.267SS..Hα-helixtrans-58.5-40.7173.700000113.1L75 R76 T82 R83 I102L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.15Å; R76-A79 PolarHBondContact O-N 2.84Å; A79-T82 PolarHBondContact O-OG1 2.82Å; A79-T82 VanDerWaalsContact O-OG1 3.09Å; A79-R83 VanDerWaalsContact O-CB 3.26Å; A79-R83 WeakPolarHBondContact O-CB 3.49Å; A79-R83 PolarHBondContact O-N 3.17Å; A79-I102 HydrophobicContact CB-CG2 3.83Å
80M92.6Very high90.2Very high89 Ų8959.2 Ų59.244%0.43828%0.276SS..Hα-helixtrans-68-41.4176.7-79.6-70.1-7600112.2R76 S77 Y78 R83 R84 T117R76-M80 WeakPolarHBondContact O-CG 3.4Å; R76-M80 PolarHBondContact O-N 2.92Å; S77-M80 PolarHBondContact O-N 3.04Å; Y78-M80 VanDerWaalsContact C-N 3.33Å; Y78-M80 PolarHBondContact O-N 3.44Å; M80-R83 PolarHBondContact O-N 3.18Å; M80-R84 PolarHBondContact O-N 2.6Å; M80-R84 VanDerWaalsContact O-N 3.14Å; M80-T117 HydrophobicContact CG-CG2 4.44Å
81C92.1Very high90.4Very high40 Ų4062 Ų6227%0.2731%0.305SS..Hα-helixtrans-60.7-51.3177.1-1700000111.2C42 S77 Y78 R83 R84 M85C42-C81 VanDerWaalsContact CA-SG 3.53Å; C42-C81 HydrophobicContact CB-CB 3.81Å; C42-C81 WeakPolarHBondContact CB-SG 3.45Å; C42-C81 VanDerWaalsContact SG-C 3.5Å; C42-C81 WeakPolarHBondContact SG-CB 3.29Å; C42-C81 CovalentContact SG-SG 2.05Å; C42-C81 PolarHBondContact SG-SG 3.44Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.15Å; Y78-C81 PolarHBondContact O-N 3.25Å; C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 2.96Å; C81-R84 PolarHBondContact O-N 3.38Å; C81-M85 WeakPolarHBondContact O-CG 3.49Å; C81-M85 PolarHBondContact O-N 3.37Å
82T93.3Very high90.5Very high6 Ų662 Ų624%0.03731%0.308CS..Hα-helixtrans-63.3-39.3178.657.80000111.4I39 C42 Y78 A79 R84 M85 A86 Y95 I102I39-T82 HydrophobicContact CD1-CG2 3.69Å; C42-T82 HydrophobicContact CB-CG2 4.26Å; Y78-T82 HydrophobicContact CD2-CG2 3.89Å; Y78-T82 HydrophobicContact CE2-CG2 3.68Å; Y78-T82 WeakPolarHBondContact O-CG2 3.17Å; Y78-T82 PolarHBondContact O-N 3.32Å; Y78-T82 PolarHBondContact O-OG1 3.45Å; A79-T82 PolarHBondContact O-OG1 2.82Å; A79-T82 VanDerWaalsContact O-OG1 3.09Å; T82-R84 VanDerWaalsContact C-N 3.34Å; T82-R84 PolarHBondContact O-N 3.04Å; T82-M85 CarbonylContact O-C 3.55Å; T82-M85 PolarHBondContact O-N 3.21Å; T82-A86 PolarHBondContact O-N 3.36Å; T82-Y95 VanDerWaalsContact O-CE2 3.29Å; T82-Y95 WeakPolarHBondContact O-CE2 3.42Å; T82-I102 HydrophobicContact CG2-CD1 3.72Å
83R91.9Very high90.6Very high193 Ų19368.7 Ų68.773%0.72834%0.343SS*.Hα-helixtrans-60.5-39.6177.1-164.8178.2-157.4165.56.3113.3A79 M80 C81 M85 A86A79-R83 VanDerWaalsContact O-CB 3.26Å; A79-R83 WeakPolarHBondContact O-CB 3.49Å; A79-R83 PolarHBondContact O-N 3.17Å; M80-R83 PolarHBondContact O-N 3.18Å; C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 2.96Å; R83-M85 PolarHBondContact O-N 3.48Å; R83-A86 WeakPolarHBondContact O-CB 3.38Å; R83-A86 PolarHBondContact O-N 2.97Å
84R90Very high90.7Very high197 Ų19770.5 Ų70.574%0.74335%0.353SS*.Hα-helixtrans-64.2-30.7175.3-72-178.8-175.6-175.51.8112.1M80 C81 T82M80-R84 PolarHBondContact O-N 2.6Å; M80-R84 VanDerWaalsContact O-N 3.14Å; C81-R84 PolarHBondContact O-N 3.38Å; T82-R84 VanDerWaalsContact C-N 3.34Å; T82-R84 PolarHBondContact O-N 3.04Å
85M86.6Confident90.9Very high54 Ų5471.6 Ų71.627%0.26636%0.357SS..Hα-helixtrans-86.4-3.9-178.5-61.5-65.691.800114.3C81 T82 R83 R87 A88 C89C81-M85 WeakPolarHBondContact O-CG 3.49Å; C81-M85 PolarHBondContact O-N 3.37Å; T82-M85 CarbonylContact O-C 3.55Å; T82-M85 PolarHBondContact O-N 3.21Å; R83-M85 PolarHBondContact O-N 3.48Å; M85-R87 PolarHBondContact O-N 2.97Å; M85-R87 VanDerWaalsContact O-N 3.07Å; M85-A88 PolarHBondContact O-N 2.9Å; M85-C89 WeakPolarHBondContact O-CB 3.45Å; M85-C89 PolarHBondContact O-N 3.35Å
86A89Confident90.9Very high35 Ų3576.2 Ų76.229%0.28938%0.378SS..THydrogen-bonded Turntrans-54.5-33.7-173.800000114.7T82 R83 R90 Y95T82-A86 PolarHBondContact O-N 3.36Å; R83-A86 WeakPolarHBondContact O-CB 3.38Å; R83-A86 PolarHBondContact O-N 2.97Å; A86-R90 VanDerWaalsContact O-CG 3.24Å; A86-R90 WeakPolarHBondContact O-CG 3.37Å; A86-Y95 WeakPolarHBondContact CA-OH 3.17Å; A86-Y95 VanDerWaalsContact CB-OH 3.28Å; A86-Y95 WeakPolarHBondContact CB-OH 3.34Å
87R87.8Confident90.9Very high209 Ų20978.6 Ų78.679%0.78940%0.398SS*.THydrogen-bonded Turntrans-75.9-39.8178.3-67.4-177.7-178.2170.80.8112.6M85M85-R87 PolarHBondContact O-N 2.97Å; M85-R87 VanDerWaalsContact O-N 3.07Å
88A87Confident91Very high31 Ų3177.2 Ų77.226%0.25639%0.389SS..THydrogen-bonded Turntrans-75.4-31.5-179.100000112.3A35 M85A35-A88 HydrophobicContact CB-CB 3.92Å; A35-A88 WeakPolarHBondContact O-CB 3.47Å; M85-A88 PolarHBondContact O-N 2.9Å
89C90.5Very high91.1Very high1 Ų178.2 Ų78.21%0.00740%0.397CS..THydrogen-bonded Turntrans-103.719.5-172.1-63.90000114.7C37 M85 G91 D92 Y95C37-C89 WeakPolarHBondContact CA-SG 3.3Å; C37-C89 HydrophobicContact CB-CB 3.96Å; C37-C89 WeakPolarHBondContact CB-SG 3.24Å; C37-C89 VanDerWaalsContact SG-CA 3.55Å; C37-C89 WeakPolarHBondContact SG-CB 3.35Å; C37-C89 CovalentContact SG-SG 2.03Å; C37-C89 PolarHBondContact SG-SG 3.29Å; M85-C89 WeakPolarHBondContact O-CB 3.45Å; M85-C89 PolarHBondContact O-N 3.35Å; C89-G91 PolarHBondContact O-N 3.35Å; C89-G91 VanDerWaalsContact O-N 3.12Å; C89-D92 HydrophobicContact CB-CB 4.2Å; C89-D92 PolarHBondContact O-N 3.11Å; C89-D92 VanDerWaalsContact O-N 3.07Å; C89-Y95 HydrophobicContact CB-CD1 4.06Å; C89-Y95 HydrophobicContact CB-CD2 3.61Å; C89-Y95 HydrophobicContact CB-CE2 4.3Å; C89-Y95 HydrophobicContact CB-CG 3.48Å; C89-Y95 VanDerWaalsContact CB-CG 3.48Å; C89-Y95 WeakPolarHBondContact O-CD1 3.3Å
90R89.3Confident91.1Very high181 Ų18181.5 Ų81.568%0.68341%0.407SS*.THydrogen-bonded Turntrans-54.3-36.3-174.7-75.7-171.2175.3123.9-9114.4A86 H96A86-R90 VanDerWaalsContact O-CG 3.24Å; A86-R90 WeakPolarHBondContact O-CG 3.37Å; R90-H96 PolarHBondContact O-NE2 3.38Å
91G87.6Confident91.1Very high84 Ų8478.4 Ų78.487%0.86640%0.398SS*.THydrogen-bonded Turntrans-101.69.7-179.100000114.8C89C89-G91 PolarHBondContact O-N 3.35Å; C89-G91 VanDerWaalsContact O-N 3.12Å
92D89.4Confident91.3Very high46 Ų4676.9 Ų76.925%0.24639%0.387CS..  trans-93.1121-176.8-174-62.9000110.5C89 V94 Y95 H96C89-D92 HydrophobicContact CB-CB 4.2Å; C89-D92 PolarHBondContact O-N 3.11Å; C89-D92 VanDerWaalsContact O-N 3.07Å; D92-V94 VanDerWaalsContact OD1-CA 3.28Å; D92-V94 WeakPolarHBondContact OD1-CA 3.24Å; D92-V94 WeakPolarHBondContact OD1-CB 3.47Å; D92-V94 PolarHBondContact OD1-N 3.11Å; D92-Y95 WeakPolarHBondContact O-CB 3.34Å; D92-Y95 PolarHBondContact O-N 3.49Å; D92-Y95 PolarHBondContact OD1-N 2.81Å; D92-H96 PolarHBondContact O-CD2 3.21Å; D92-H96 PolarHBondContact O-N 2.9Å
93L92.3Very high91.2Very high147 Ų14780.8 Ų80.877%0.7741%0.405SS*.Hα-helixtrans-68.1-35.2-179.4-177.464.2000112.4Y95 H96 S97L93-Y95 VanDerWaalsContact C-N 3.28Å; L93-Y95 PolarHBondContact O-N 3.11Å; L93-H96 PolarHBondContact O-N 2.81Å; L93-S97 WeakPolarHBondContact O-CB 3.42Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 3.05Å
94V91.2Very high91.3Very high57 Ų5775.6 Ų75.635%0.34539%0.392SS..Hα-helixtrans-64.3-39.5178.3-177.50000109.5I39 L40 D92 S97 A98I39-V94 HydrophobicContact CG1-CG1 4.08Å; I39-V94 HydrophobicContact CG2-CB 4.05Å; I39-V94 HydrophobicContact CG2-CG1 4.08Å; L40-V94 HydrophobicContact CD2-CG1 4.31Å; D92-V94 VanDerWaalsContact OD1-CA 3.28Å; D92-V94 WeakPolarHBondContact OD1-CA 3.24Å; D92-V94 WeakPolarHBondContact OD1-CB 3.47Å; D92-V94 PolarHBondContact OD1-N 3.11Å; V94-S97 WeakPolarHBondContact CA-OG 3.3Å; V94-S97 PolarHBondContact O-N 3.5Å; V94-S97 PolarHBondContact O-OG 3.12Å; V94-A98 VanDerWaalsContact O-CB 3.26Å; V94-A98 WeakPolarHBondContact O-CB 3.1Å; V94-A98 PolarHBondContact O-N 2.92Å
95Y93.9Very high91.3Very high24 Ų2468 Ų689%0.09437%0.366CS..Hα-helixtrans-57.8-51.7173.1171.2-97.5000112.8I39 T82 A86 C89 D92 L93 S97 A98 V99I39-Y95 HydrophobicContact CD1-CD2 4.18Å; T82-Y95 VanDerWaalsContact O-CE2 3.29Å; T82-Y95 WeakPolarHBondContact O-CE2 3.42Å; A86-Y95 WeakPolarHBondContact CA-OH 3.17Å; A86-Y95 VanDerWaalsContact CB-OH 3.28Å; A86-Y95 WeakPolarHBondContact CB-OH 3.34Å; C89-Y95 HydrophobicContact CB-CD1 4.06Å; C89-Y95 HydrophobicContact CB-CD2 3.61Å; C89-Y95 HydrophobicContact CB-CE2 4.3Å; C89-Y95 HydrophobicContact CB-CG 3.48Å; C89-Y95 VanDerWaalsContact CB-CG 3.48Å; C89-Y95 WeakPolarHBondContact O-CD1 3.3Å; D92-Y95 WeakPolarHBondContact O-CB 3.34Å; D92-Y95 PolarHBondContact O-N 3.49Å; D92-Y95 PolarHBondContact OD1-N 2.81Å; L93-Y95 VanDerWaalsContact C-N 3.28Å; L93-Y95 PolarHBondContact O-N 3.11Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 3.34Å; Y95-A98 WeakPolarHBondContact O-CB 3.33Å; Y95-A98 PolarHBondContact O-N 3.42Å; Y95-V99 HydrophobicContact CD1-CG2 4.47Å; Y95-V99 HydrophobicContact CD2-CG2 4.27Å; Y95-V99 HydrophobicContact CE1-CG2 3.99Å; Y95-V99 HydrophobicContact CE2-CG2 3.74Å; Y95-V99 WeakPolarHBondContact O-CG2 3.34Å; Y95-V99 PolarHBondContact O-N 3.3Å
96H93.6Very high91.5Very high97 Ų9766.3 Ų66.345%0.44936%0.358SS..Hα-helixtrans-65.3-37.8-179.5-70.5-67.2000111.9R90 D92 L93 A98 V99 Q100R90-H96 PolarHBondContact O-NE2 3.38Å; D92-H96 PolarHBondContact O-CD2 3.21Å; D92-H96 PolarHBondContact O-N 2.9Å; L93-H96 PolarHBondContact O-N 2.81Å; H96-A98 VanDerWaalsContact C-N 3.33Å; H96-A98 PolarHBondContact O-N 2.97Å; H96-V99 PolarHBondContact O-N 2.93Å; H96-Q100 PolarHBondContact O-N 3.35Å; H96-Q100 VanDerWaalsContact O-N 3.11Å
97S93.8Very high91.5Very high72 Ų7270.6 Ų70.650%0.50338%0.375SS..Hα-helixtrans-63.2-39.4173.874.70000112.5L93 V94 Y95 G101L93-S97 WeakPolarHBondContact O-CB 3.42Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 3.05Å; V94-S97 WeakPolarHBondContact CA-OG 3.3Å; V94-S97 PolarHBondContact O-N 3.5Å; V94-S97 PolarHBondContact O-OG 3.12Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 3.34Å; S97-G101 PolarHBondContact O-N 3.39Å
98A93.2Very high91.5Very high5 Ų567.2 Ų67.24%0.04137%0.368CS..Hα-helixtrans-67.9-44.617800000111.9I39 Y78 V94 Y95 H96 Q100 G101 I102I39-A98 HydrophobicContact CD1-CB 3.79Å; I39-A98 HydrophobicContact CG1-CB 4.31Å; Y78-A98 WeakPolarHBondContact OH-CB 3.4Å; V94-A98 VanDerWaalsContact O-CB 3.26Å; V94-A98 WeakPolarHBondContact O-CB 3.1Å; V94-A98 PolarHBondContact O-N 2.92Å; Y95-A98 WeakPolarHBondContact O-CB 3.33Å; Y95-A98 PolarHBondContact O-N 3.42Å; H96-A98 VanDerWaalsContact C-N 3.33Å; H96-A98 PolarHBondContact O-N 2.97Å; A98-Q100 VanDerWaalsContact C-N 3.35Å; A98-Q100 PolarHBondContact O-N 2.05Å; A98-G101 PolarHBondContact O-N 3.44Å; A98-I102 WeakPolarHBondContact O-CD1 3.43Å; A98-I102 WeakPolarHBondContact O-CG1 3.24Å; A98-I102 PolarHBondContact O-N 3.08Å
99V94.6Very high91.4Very high42 Ų4268.6 Ų68.626%0.25537%0.369SS..Hα-helixtrans-60-45.9177.6171.60000110.9Y95 H96 I102 E103Y95-V99 HydrophobicContact CD1-CG2 4.47Å; Y95-V99 HydrophobicContact CD2-CG2 4.27Å; Y95-V99 HydrophobicContact CE1-CG2 3.99Å; Y95-V99 HydrophobicContact CE2-CG2 3.74Å; Y95-V99 WeakPolarHBondContact O-CG2 3.34Å; Y95-V99 PolarHBondContact O-N 3.3Å; H96-V99 PolarHBondContact O-N 2.93Å; V99-I102 PolarHBondContact O-N 3.03Å; V99-E103 PolarHBondContact O-N 3.41Å
100Q93.6Very high91.4Very high101 Ų10173.7 Ų73.747%0.47241%0.405SS..Hα-helixtrans-62.2-47.6175.6-174.762.135.500111.5H96 A98 I102 E103 D104H96-Q100 PolarHBondContact O-N 3.35Å; H96-Q100 VanDerWaalsContact O-N 3.11Å; A98-Q100 VanDerWaalsContact C-N 3.35Å; A98-Q100 PolarHBondContact O-N 2.05Å; Q100-I102 VanDerWaalsContact C-N 3.26Å; Q100-I102 PolarHBondContact O-N 3.07Å; Q100-E103 PolarHBondContact O-N 3.21Å; Q100-E103 VanDerWaalsContact O-N 3.07Å; Q100-D104 PolarHBondContact NE2-OD1 3.41Å; Q100-D104 PolarHBondContact O-N 3.33Å
101G93.3Very high91.4Very high25 Ų2565.6 Ų65.626%0.25838%0.376SS..Hα-helixtrans-60.5-34.7178.900000113.2S97 A98 D104 L105S97-G101 PolarHBondContact O-N 3.39Å; A98-G101 PolarHBondContact O-N 3.44Å; G101-D104 PolarHBondContact O-N 2.92Å; G101-L105 WeakPolarHBondContact O-CB 3.28Å; G101-L105 WeakPolarHBondContact O-CD1 3.41Å; G101-L105 WeakPolarHBondContact O-CG 3.47Å; G101-L105 PolarHBondContact O-N 2.89Å
102I94.5Very high91.4Very high7 Ų765.2 Ų65.24%0.03636%0.358CS..Hα-helixtrans-63-44.4174-70.9160.1000110.8Y78 A79 T82 A98 V99 Q100 L105 L106Y78-I102 HydrophobicContact CD1-CD1 3.62Å; Y78-I102 HydrophobicContact CD1-CG1 3.31Å; Y78-I102 HydrophobicContact CD2-CD1 3.92Å; Y78-I102 HydrophobicContact CE1-CD1 3.7Å; Y78-I102 HydrophobicContact CE1-CG1 3.39Å; Y78-I102 HydrophobicContact CE2-CD1 4Å; Y78-I102 HydrophobicContact CG-CD1 3.71Å; Y78-I102 HydrophobicContact CG-CG1 3.92Å; A79-I102 HydrophobicContact CB-CG2 3.83Å; T82-I102 HydrophobicContact CG2-CD1 3.72Å; A98-I102 WeakPolarHBondContact O-CD1 3.43Å; A98-I102 WeakPolarHBondContact O-CG1 3.24Å; A98-I102 PolarHBondContact O-N 3.08Å; V99-I102 PolarHBondContact O-N 3.03Å; Q100-I102 VanDerWaalsContact C-N 3.26Å; Q100-I102 PolarHBondContact O-N 3.07Å; I102-L105 PolarHBondContact O-N 3.03Å; I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.41Å; I102-L106 WeakPolarHBondContact O-CB 3.08Å; I102-L106 VanDerWaalsContact O-CG 3.24Å; I102-L106 WeakPolarHBondContact O-CG 3.12Å; I102-L106 PolarHBondContact O-N 3.35Å
103E92.3Very high91.2Very high88 Ų8872 Ų7241%0.41138%0.38SS..Hα-helixtrans-63.3-44.3178.8-68.1-168.3169.500111.7V99 Q100 L106 I107V99-E103 PolarHBondContact O-N 3.41Å; Q100-E103 PolarHBondContact O-N 3.21Å; Q100-E103 VanDerWaalsContact O-N 3.07Å; E103-L106 PolarHBondContact O-N 3.39Å; E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.04Å; E103-I107 VanDerWaalsContact O-N 3.15Å
104D93.1Very high90.8Very high84 Ų8470.8 Ų70.845%0.44938%0.379SS..Hα-helixtrans-62.3-44.5177.7-65.6-20.2000111.2Q100 G101 I107 Q108Q100-D104 PolarHBondContact NE2-OD1 3.41Å; Q100-D104 PolarHBondContact O-N 3.33Å; G101-D104 PolarHBondContact O-N 2.92Å; D104-I107 PolarHBondContact O-N 3.4Å; D104-Q108 WeakPolarHBondContact O-CB 3.48Å; D104-Q108 PolarHBondContact O-N 2.99Å
105L91.6Very high90.4Very high39 Ų3970.3 Ų70.320%0.20439%0.385CS..Hα-helixtrans-66.7-36.9178.8-72.1170.5000112.7F46 L75 G101 I102 I107 Q108 H109F46-L105 HydrophobicContact CE1-CD1 4.32Å; F46-L105 HydrophobicContact CZ-CD1 4.2Å; L75-L105 HydrophobicContact CD1-CB 3.97Å; L75-L105 HydrophobicContact CD2-CB 3.62Å; L75-L105 HydrophobicContact CD2-CD1 3.84Å; L75-L105 HydrophobicContact CD2-CG 4.38Å; L75-L105 HydrophobicContact CG-CB 4.47Å; G101-L105 WeakPolarHBondContact O-CB 3.28Å; G101-L105 WeakPolarHBondContact O-CD1 3.41Å; G101-L105 WeakPolarHBondContact O-CG 3.47Å; G101-L105 PolarHBondContact O-N 2.89Å; I102-L105 PolarHBondContact O-N 3.03Å; L105-I107 VanDerWaalsContact C-N 3.3Å; L105-I107 PolarHBondContact O-N 3.36Å; L105-Q108 PolarHBondContact O-N 3.27Å; L105-H109 WeakPolarHBondContact O-CB 3.35Å; L105-H109 PolarHBondContact O-CD2 2.92Å; L105-H109 PolarHBondContact O-N 3.09Å
106L89.8Confident89.8Confident18 Ų1874 Ų749%0.09441%0.412CS..Hα-helixtrans-62.4-39.1174.5-75.9169.1000111.4L75 I102 E103 S110 C111 R113L75-L106 HydrophobicContact CB-CD2 3.97Å; L75-L106 HydrophobicContact CD1-CD2 4.24Å; I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.41Å; I102-L106 WeakPolarHBondContact O-CB 3.08Å; I102-L106 VanDerWaalsContact O-CG 3.24Å; I102-L106 WeakPolarHBondContact O-CG 3.12Å; I102-L106 PolarHBondContact O-N 3.35Å; E103-L106 PolarHBondContact O-N 3.39Å; L106-S110 PolarHBondContact O-N 3.22Å; L106-C111 HydrophobicContact CD2-CB 3.59Å; L106-C111 PolarHBondContact O-N 3.23Å; L106-R113 HydrophobicContact CD1-CG 4.42Å
107I88.5Confident89.3Confident124 Ų12473 Ų7364%0.63641%0.412SS*.Hα-helixtrans-70.7-49.4176.4-65.5166.1000110.1E103 D104 L105 H109 S110E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.04Å; E103-I107 VanDerWaalsContact O-N 3.15Å; D104-I107 PolarHBondContact O-N 3.4Å; L105-I107 VanDerWaalsContact C-N 3.3Å; L105-I107 PolarHBondContact O-N 3.36Å; I107-H109 VanDerWaalsContact C-N 3.28Å; I107-H109 PolarHBondContact O-N 3.49Å; I107-S110 PolarHBondContact O-N 3.39Å; I107-S110 VanDerWaalsContact O-N 3.13Å
108Q88.7Confident88.4Confident139 Ų13970.8 Ų70.865%0.6540%0.399SS*.Hα-helixtrans-58.1-39.5-177-175176.312.300112.5D104 L105D104-Q108 WeakPolarHBondContact O-CB 3.48Å; D104-Q108 PolarHBondContact O-N 2.99Å; L105-Q108 PolarHBondContact O-N 3.27Å
109H85.7Confident87.2Confident60 Ų6078.6 Ų78.628%0.27843%0.434SS..THydrogen-bonded Turntrans-97.27-178.8-70.9-89.7000114.1Y71 L105 I107 C111Y71-H109 HydrophobicContact CD1-CB 4.21Å; Y71-H109 AromaticContact CD1-CG 3.82Å; Y71-H109 AromaticContact CD1-ND1 3.92Å; Y71-H109 HydrophobicContact CE1-CB 4.3Å; Y71-H109 AromaticContact CE1-CD2 3.45Å; Y71-H109 VanDerWaalsContact CE1-CD2 3.45Å; Y71-H109 WeakPolarHBondContact CE1-CD2 3.18Å; Y71-H109 AromaticContact CE1-CE1 3.9Å; Y71-H109 AromaticContact CE1-CG 3.62Å; Y71-H109 AromaticContact CE1-ND1 3.9Å; Y71-H109 AromaticContact CE1-NE2 3.65Å; L105-H109 WeakPolarHBondContact O-CB 3.35Å; L105-H109 PolarHBondContact O-CD2 2.92Å; L105-H109 PolarHBondContact O-N 3.09Å; I107-H109 VanDerWaalsContact C-N 3.28Å; I107-H109 PolarHBondContact O-N 3.49Å; H109-C111 PolarHBondContact O-N 2.96Å
110S89.6Confident85.3Confident108 Ų10882.1 Ų82.176%0.75546%0.458SS*.THydrogen-bonded Turntrans50.841.5-177.8-61.80000113L106 I107L106-S110 PolarHBondContact O-N 3.22Å; I107-S110 PolarHBondContact O-N 3.39Å; I107-S110 VanDerWaalsContact O-N 3.13Å
111C89.9Confident83.6Confident11 Ų1185.6 Ų85.67%0.07447%0.467CS..  trans-84.7130.9-176.2-69.50000111.4C72 L106 H109C72-C111 WeakPolarHBondContact CA-SG 3.46Å; C72-C111 HydrophobicContact CB-CB 3.63Å; C72-C111 WeakPolarHBondContact CB-SG 3.42Å; C72-C111 WeakPolarHBondContact SG-CA 3.04Å; C72-C111 WeakPolarHBondContact SG-CB 3.44Å; C72-C111 CovalentContact SG-SG 2.04Å; C72-C111 PolarHBondContact SG-SG 2.04Å; L106-C111 HydrophobicContact CD2-CB 3.59Å; L106-C111 PolarHBondContact O-N 3.23Å; H109-C111 PolarHBondContact O-N 2.96Å
112P87.7Confident81.4Confident75 Ų7589.3 Ų89.349%0.48749%0.487SS..  trans-66.5137.8173.227.9-33.1000110.2R76 T114R76-P112 WeakPolarHBondContact CD-O 3.38Å; R76-P112 PolarHBondContact NE-O 3.25Å; R76-P112 VanDerWaalsContact NE-O 3.14Å; P112-T114 PolarHBondContact O-N 2.97Å
113R85.4Confident79Confident190 Ų19096.1 Ų96.172%0.71752%0.522SS*.SBendtrans-67-21.3178-69.8-175.5177.8173.5-3.6113.1L106L106-R113 HydrophobicContact CD1-CG 4.42Å
114T82.9Confident76.5Confident121 Ų12197.5 Ų97.574%0.74254%0.539SS*.SBendtrans-111.4145.8177.651.20000110.6P112P112-T114 PolarHBondContact O-N 2.97Å
115G82.4Confident74.3Confident46 Ų4697.5 Ų97.547%0.47454%0.536SS..SBendtrans145.4-177.7-18000000113.8R76 T117R76-G115 PolarHBondContact NH1-O 2.93Å; R76-G115 VanDerWaalsContact NH1-O 3.14Å; G115-T117 PolarHBondContact O-N 3.46Å
116P82.2Confident72Confident102 Ų10299.3 Ų99.366%0.66256%0.557SS**PPolyproline II helixtrans-71.6117.2-173.628.3-34.7000113.4S73 R76S73-P116 WeakPolarHBondContact CB-O 3.37Å; S73-P116 PolarHBondContact OG-O 2.88Å; R76-P116 VanDerWaalsContact NH1-N 3.11Å; R76-P116 PolarHBondContact NH1-O 3.24Å
117T82.9Confident69.8Low75 Ų75104.7 Ų104.746%0.4659%0.593SS.*PPolyproline II helixtrans-65.6152.6175.546.80000111.9R76 S77 M80 G115 Q119R76-T117 HydrophobicContact CB-CG2 4.45Å; S77-T117 VanDerWaalsContact OG-CB 3.29Å; S77-T117 WeakPolarHBondContact OG-CB 3.26Å; M80-T117 HydrophobicContact CG-CG2 4.44Å; G115-T117 PolarHBondContact O-N 3.46Å; T117-Q119 PolarHBondContact O-N 3.03Å
118A75.4Confident68.2Low26 Ų2699.8 Ų99.822%0.21557%0.568CS.*PPolyproline II helixtrans-58131.7177.600000110.1V49 S73 S77V49-A118 HydrophobicContact CG1-CB 4.34Å; S73-A118 PolarHBondContact O-N 3.48Å; S73-A118 VanDerWaalsContact OG-CA 3.31Å; S73-A118 WeakPolarHBondContact OG-CA 3.42Å; S73-A118 PolarHBondContact OG-N 3.23Å; S77-A118 PolarHBondContact OG-N 3.07Å
119Q66.8Low66.6Low170 Ų17097.1 Ų97.179%0.79456%0.564SS**PPolyproline II helixtrans-63.9142.2173.9-73.9-91.1-5.600109.5T117 R121T117-Q119 PolarHBondContact O-N 3.03Å; Q119-R121 PolarHBondContact O-N 3.13Å
120P55.5Low65.3Low116 Ų11695.1 Ų95.175%0.75356%0.56SS**  trans-57.8113.9169.6-16.328.3000108.5
121R56.7Low64.1Low173 Ų17393.5 Ų93.565%0.65354%0.543SS*.PPolyproline II helixtrans-78.3131.8177.2-153.3175.4-172.4-178.9-4.4108.5D52 Q119 L123D52-R121 IonicContact OD2-CZ 3.79Å; D52-R121 IonicContact OD2-NH1 2.76Å; D52-R121 PolarHBondContact OD2-NH1 3.01Å; Q119-R121 PolarHBondContact O-N 3.13Å; R121-L123 PolarHBondContact O-N 3.28Å
122P48.4Very low63.2Low104 Ų10494.5 Ų94.568%0.67555%0.552SS**PPolyproline II helixtrans-56.7133162.6-18.430.2000108.3
123L43.3Very low63Low150 Ų15091 Ų9179%0.78553%0.529SS*.PPolyproline II helixtrans-48.5136.2175.1-80.2135.3000110.1R121 Q125R121-L123 PolarHBondContact O-N 3.28Å; L123-Q125 PolarHBondContact O-N 2.81Å
124P40.2Very low63.3Low117 Ų11783.1 Ų83.176%0.7650%0.501SS*.  trans-58.2110.9174.3-18.629.3000109.1
125Q46.1Very low63.7Low83 Ų8378.3 Ų78.339%0.38847%0.469SS..PPolyproline II helixtrans-88122.7176.3-72161.12.300107.4L123L123-Q125 PolarHBondContact O-N 2.81Å
126A44.3Very low64.1Low77 Ų7780.2 Ų80.264%0.63647%0.466SS*.PPolyproline II helixtrans-50.6146.2172.300000110.1I128A126-I128 WeakPolarHBondContact O-CG1 3.46Å; A126-I128 PolarHBondContact O-N 3.44Å
127P43.4Very low64.4Low131 Ų13179.8 Ų79.885%0.85145%0.454SS*.PPolyproline II helixtrans-54.3116.9179.420.4-30.5000109.6
128I53.6Low64.6Low22 Ų2276.6 Ų76.611%0.11344%0.436CS..PPolyproline II helixtrans-84.9127.7-171-58.9-170.4000107.1A126 A132 R213 Q243A126-I128 WeakPolarHBondContact O-CG1 3.46Å; A126-I128 PolarHBondContact O-N 3.44Å; I128-A132 HydrophobicContact CB-CB 4.49Å; I128-A132 HydrophobicContact CG2-CB 3.13Å; I128-R213 HydrophobicContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CD 3.42Å; I128-R213 HydrophobicContact CD1-CG 4.08Å; I128-Q243 PolarHBondContact O-NE2 2.69Å; I128-Q243 PolarHBondContact O-OE1 3.31Å
129S56.7Low65.2Low83 Ų8376.7 Ų76.758%0.5843%0.431SS*.PPolyproline II helixtrans-64.3152.2169.5-179.10000110D131 A132 Q243S129-D131 PolarHBondContact O-N 3.45Å; S129-A132 WeakPolarHBondContact O-CB 3.33Å; S129-A132 PolarHBondContact O-N 3.32Å; S129-Q243 PolarHBondContact O-OE1 2.88Å
130G57Low66.3Low18 Ų1872.3 Ų72.319%0.18641%0.412CS..G310 helixtrans-50.8-31.8-179.600000114.9A132 C133G130-A132 VanDerWaalsContact C-N 3.25Å; G130-A132 PolarHBondContact O-N 3.37Å; G130-C133 PolarHBondContact O-N 2.77Å
131D64.4Low67.9Low74 Ų7474.7 Ų74.740%0.39641%0.413SS..G310 helixtrans-69.7-18.7175.8-76.1-38.9000114.4S129 C133 I134 K137S129-D131 PolarHBondContact O-N 3.45Å; D131-C133 VanDerWaalsContact C-N 3.3Å; D131-I134 PolarHBondContact O-N 3.11Å; D131-K137 HydrophobicContact CB-CD 4.19Å; D131-K137 WeakPolarHBondContact OD1-CD 3.26Å; D131-K137 IonicContact OD1-NZ 3.71Å; D131-K137 PolarHBondContact OD1-NZ 2.88Å
132A70.9Confident69.3Low32 Ų3274.1 Ų74.126%0.26441%0.411SS..G310 helixtrans-87.2-0.1-179.400000113.6I128 S129 G130 I134I128-A132 HydrophobicContact CB-CB 4.49Å; I128-A132 HydrophobicContact CG2-CB 3.13Å; S129-A132 WeakPolarHBondContact O-CB 3.33Å; S129-A132 PolarHBondContact O-N 3.32Å; G130-A132 VanDerWaalsContact C-N 3.25Å; G130-A132 PolarHBondContact O-N 3.37Å; A132-I134 VanDerWaalsContact C-N 3.26Å
133C85.3Confident71.2Confident2 Ų274.6 Ų74.61%0.01440%0.404CS..G310 helixtrans-843.7159.1-68.90000113.7G130 D131 C215 H265G130-C133 PolarHBondContact O-N 2.77Å; D131-C133 VanDerWaalsContact C-N 3.3Å; C133-C215 WeakPolarHBondContact CA-SG 3.43Å; C133-C215 HydrophobicContact CB-CB 3.67Å; C133-C215 WeakPolarHBondContact CB-SG 3.46Å; C133-C215 VanDerWaalsContact SG-CA 3.51Å; C133-C215 WeakPolarHBondContact SG-CB 3.35Å; C133-C215 CovalentContact SG-SG 2.04Å; C133-C215 PolarHBondContact SG-SG 3.42Å; C133-H265 WeakPolarHBondContact O-CA 3.09Å; C133-H265 WeakPolarHBondContact O-CB 3.42Å; C133-H265 PolarHBondContact O-N 3.3Å
134I90Very high73.5Confident24 Ų2470.8 Ų70.812%0.12340%0.401CS..SBendtrans-116.8110.5170.8-54.3-63.3000108D131 A132 E136 K137 G138 Q245 A264D131-I134 PolarHBondContact O-N 3.11Å; A132-I134 VanDerWaalsContact C-N 3.26Å; I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.4Å; I134-K137 HydrophobicContact CB-CB 4.18Å; I134-K137 HydrophobicContact CB-CD 4.02Å; I134-K137 HydrophobicContact CB-CG 4.14Å; I134-K137 HydrophobicContact CG1-CD 4.33Å; I134-K137 HydrophobicContact CG2-CB 4.21Å; I134-K137 HydrophobicContact CG2-CD 4.13Å; I134-K137 HydrophobicContact CG2-CG 3.86Å; I134-K137 PolarHBondContact O-N 3.02Å; I134-G138 PolarHBondContact O-N 3.01Å; I134-Q245 VanDerWaalsContact CG1-OE1 3.23Å; I134-A264 HydrophobicContact CD1-CB 3.78Å
135Y91.7Very high75.9Confident19 Ų1970.9 Ų70.98%0.07539%0.387CS..Hα-helixtrans-55.6-47.3-173.2-179.4-92.9000112.2K137 G138 Y139 P147 A264 P286 I289Y135-K137 PolarHBondContact O-N 3.28Å; Y135-G138 PolarHBondContact O-N 2.97Å; Y135-Y139 HydrophobicContact CE1-CD2 4.12Å; Y135-Y139 HydrophobicContact CE1-CG 4.33Å; Y135-Y139 AromaticContact CZ-CD2 3.92Å; Y135-Y139 VanDerWaalsContact O-CB 3.24Å; Y135-Y139 WeakPolarHBondContact O-CB 3.42Å; Y135-Y139 PolarHBondContact O-N 2.99Å; Y135-P147 HydrophobicContact CD1-CG 4.31Å; Y135-P147 HydrophobicContact CE1-CB 3.84Å; Y135-P147 HydrophobicContact CE1-CG 3.86Å; Y135-A264 WeakPolarHBondContact CB-O 3.47Å; Y135-A264 PolarHBondContact N-O 3.17Å; Y135-P286 HydrophobicContact CD1-CB 4.45Å; Y135-P286 HydrophobicContact CD1-CG 3.74Å; Y135-P286 HydrophobicContact CE1-CB 3.57Å; Y135-P286 HydrophobicContact CE1-CG 3.35Å; Y135-I289 HydrophobicContact CD2-CD1 4.27Å; Y135-I289 HydrophobicContact CD2-CG1 4.35Å; Y135-I289 HydrophobicContact CE2-CD1 3.79Å; Y135-I289 HydrophobicContact CE2-CG1 3.8Å
136E90.9Very high78Confident87 Ų8771.5 Ų71.541%0.40740%0.396SS..Hα-helixtrans-62.5-44.1-176.9-67.4-173.7153.900112.2I134 Y139 L140 Y149I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.4Å; E136-Y139 PolarHBondContact O-N 2.79Å; E136-L140 WeakPolarHBondContact O-CB 3.05Å; E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 3.26Å; E136-Y149 VanDerWaalsContact CG-OH 3.26Å; E136-Y149 WeakPolarHBondContact CG-OH 3.32Å; E136-Y149 PolarHBondContact OE1-OH 3.39Å
137K88.5Confident80.3Confident93 Ų9368.2 Ų68.240%0.40437%0.368SS..Hα-helixtrans-62-49.1176.4-70.4-176176.4177.70110.9D131 I134 Y135 Y139 L140 Q141D131-K137 HydrophobicContact CB-CD 4.19Å; D131-K137 WeakPolarHBondContact OD1-CD 3.26Å; D131-K137 IonicContact OD1-NZ 3.71Å; D131-K137 PolarHBondContact OD1-NZ 2.88Å; I134-K137 HydrophobicContact CB-CB 4.18Å; I134-K137 HydrophobicContact CB-CD 4.02Å; I134-K137 HydrophobicContact CB-CG 4.14Å; I134-K137 HydrophobicContact CG1-CD 4.33Å; I134-K137 HydrophobicContact CG2-CB 4.21Å; I134-K137 HydrophobicContact CG2-CD 4.13Å; I134-K137 HydrophobicContact CG2-CG 3.86Å; I134-K137 PolarHBondContact O-N 3.02Å; Y135-K137 PolarHBondContact O-N 3.28Å; K137-Y139 VanDerWaalsContact C-N 3.31Å; K137-Y139 PolarHBondContact O-N 3.38Å; K137-L140 PolarHBondContact O-N 2.92Å; K137-Q141 WeakPolarHBondContact O-CB 3.28Å; K137-Q141 PolarHBondContact O-N 2.81Å
138G86.8Confident82.7Confident8 Ų866 Ų668%0.08235%0.35CS..Hα-helixtrans-65.3-32.6178.800000113.3I134 Y135 R142I134-G138 PolarHBondContact O-N 3.01Å; Y135-G138 PolarHBondContact O-N 2.97Å; G138-R142 WeakPolarHBondContact O-CG 3.24Å; G138-R142 PolarHBondContact O-N 3.19Å; G138-R142 PolarHBondContact O-NE 3.39Å
139Y89.3Confident84.8Confident28 Ų2867.1 Ų67.111%0.1135%0.353CS..Hα-helixtrans-72.3-48.5175.9-168.4-85.9000111.1Y135 E136 K137 Q141 R142 E143 R145 P147Y135-Y139 HydrophobicContact CE1-CD2 4.12Å; Y135-Y139 HydrophobicContact CE1-CG 4.33Å; Y135-Y139 AromaticContact CZ-CD2 3.92Å; Y135-Y139 VanDerWaalsContact O-CB 3.24Å; Y135-Y139 WeakPolarHBondContact O-CB 3.42Å; Y135-Y139 PolarHBondContact O-N 2.99Å; E136-Y139 PolarHBondContact O-N 2.79Å; K137-Y139 VanDerWaalsContact C-N 3.31Å; K137-Y139 PolarHBondContact O-N 3.38Å; Y139-Q141 VanDerWaalsContact C-N 3.29Å; Y139-Q141 PolarHBondContact O-N 3.35Å; Y139-R142 PolarHBondContact O-N 2.91Å; Y139-R142 VanDerWaalsContact O-N 3.11Å; Y139-E143 HydrophobicContact CD1-CB 4.11Å; Y139-E143 HydrophobicContact CD1-CG 4.22Å; Y139-E143 HydrophobicContact CD2-CG 4.24Å; Y139-E143 HydrophobicContact CE1-CB 3.76Å; Y139-E143 HydrophobicContact CE1-CG 3.87Å; Y139-E143 HydrophobicContact CE2-CG 3.9Å; Y139-E143 HydrophobicContact CG-CG 4.39Å; Y139-E143 WeakPolarHBondContact O-CB 3.46Å; Y139-E143 PolarHBondContact O-N 3.23Å; Y139-R145 WeakPolarHBondContact CD1-O 3.35Å; Y139-R145 HydrophobicContact CE1-CG 4.15Å; Y139-R145 WeakPolarHBondContact CE1-O 3.43Å; Y139-R145 PolarHBondContact OH-NH2 3.36Å; Y139-P147 HydrophobicContact CD1-CB 3.88Å; Y139-P147 HydrophobicContact CD1-CG 4.24Å; Y139-P147 HydrophobicContact CD2-CB 4.31Å; Y139-P147 HydrophobicContact CE1-CB 3.9Å; Y139-P147 HydrophobicContact CE2-CB 4.34Å; Y139-P147 HydrophobicContact CG-CB 4.09Å; Y139-P147 HydrophobicContact CG-CG 4.43Å
140L89.8Confident86.7Confident77 Ų7765.1 Ų65.140%0.40334%0.335SS..Hα-helixtrans-56.9-41.7176.2-80.4165000112.3E136 K137 R142 G144 R145 T146E136-L140 WeakPolarHBondContact O-CB 3.05Å; E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 3.26Å; K137-L140 PolarHBondContact O-N 2.92Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.39Å; L140-G144 VanDerWaalsContact O-CA 3.24Å; L140-G144 WeakPolarHBondContact O-CA 3.37Å; L140-G144 PolarHBondContact O-N 3.45Å; L140-R145 VanDerWaalsContact CD2-C 3.41Å; L140-R145 WeakPolarHBondContact CD2-O 3.49Å; L140-T146 HydrophobicContact CD2-CG2 4Å
141Q87.6Confident88.7Confident166 Ų16664.6 Ų64.678%0.77633%0.328SS*.Hα-helixtrans-65.7-33.7178.7-171177.328.100113.1K137 Y139K137-Q141 WeakPolarHBondContact O-CB 3.28Å; K137-Q141 PolarHBondContact O-N 2.81Å; Y139-Q141 VanDerWaalsContact C-N 3.29Å; Y139-Q141 PolarHBondContact O-N 3.35Å
142R86.8Confident90.3Very high162 Ų16261.1 Ų61.161%0.61131%0.309SS*.Hα-helixtrans-86.5-42.9-177.6-71.6179.8-66.7-179.53.7112.9G138 Y139 L140G138-R142 WeakPolarHBondContact O-CG 3.24Å; G138-R142 PolarHBondContact O-N 3.19Å; G138-R142 PolarHBondContact O-NE 3.39Å; Y139-R142 PolarHBondContact O-N 2.91Å; Y139-R142 VanDerWaalsContact O-N 3.11Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.39Å
143E89.4Confident91.6Very high113 Ų11359.6 Ų59.653%0.52830%0.297SS..Hα-helixtrans-106.3-12-169.4-59.3-63.815300113.1Y139 R145Y139-E143 HydrophobicContact CD1-CB 4.11Å; Y139-E143 HydrophobicContact CD1-CG 4.22Å; Y139-E143 HydrophobicContact CD2-CG 4.24Å; Y139-E143 HydrophobicContact CE1-CB 3.76Å; Y139-E143 HydrophobicContact CE1-CG 3.87Å; Y139-E143 HydrophobicContact CE2-CG 3.9Å; Y139-E143 HydrophobicContact CG-CG 4.39Å; Y139-E143 WeakPolarHBondContact O-CB 3.46Å; Y139-E143 PolarHBondContact O-N 3.23Å; E143-R145 HydrophobicContact CB-CG 4.26Å; E143-R145 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact O-N 3.15Å
144G90.6Very high92.2Very high70 Ų7059.6 Ų59.672%0.72230%0.297SS*.SBendtrans68.19-18000000115L140L140-G144 VanDerWaalsContact O-CA 3.24Å; L140-G144 WeakPolarHBondContact O-CA 3.37Å; L140-G144 PolarHBondContact O-N 3.45Å
145R91.6Very high92.6Very high119 Ų11958.7 Ų58.745%0.44929%0.292SS..SBendtrans-141.1162.9-179.968.8-179.1-175.7107.3-4.8111.3Y139 L140 E143 D148Y139-R145 WeakPolarHBondContact CD1-O 3.35Å; Y139-R145 HydrophobicContact CE1-CG 4.15Å; Y139-R145 WeakPolarHBondContact CE1-O 3.43Å; Y139-R145 PolarHBondContact OH-NH2 3.36Å; L140-R145 VanDerWaalsContact CD2-C 3.41Å; L140-R145 WeakPolarHBondContact CD2-O 3.49Å; E143-R145 HydrophobicContact CB-CG 4.26Å; E143-R145 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact O-N 3.15Å; R145-D148 IonicContact CZ-OD2 2.6Å; R145-D148 IonicContact NH1-OD1 2.67Å; R145-D148 IonicContact NH1-OD2 3.64Å; R145-D148 PolarHBondContact NH1-OD2 3.07Å; R145-D148 IonicContact NH2-OD2 3.15Å
146T89.8Confident92.6Very high96 Ų9658 Ų5859%0.58929%0.291SS*.PPolyproline II helixtrans-73.6147.4172.452.50000110.7L140L140-T146 HydrophobicContact CD2-CG2 4Å
147P92.9Very high92.3Very high8 Ų854.1 Ų54.15%0.05227%0.273CS..PPolyproline II helixtrans-69.5151.6177.828.2-32.8000111.6Y135 Y139 Y149 P286Y135-P147 HydrophobicContact CD1-CG 4.31Å; Y135-P147 HydrophobicContact CE1-CB 3.84Å; Y135-P147 HydrophobicContact CE1-CG 3.86Å; Y139-P147 HydrophobicContact CD1-CB 3.88Å; Y139-P147 HydrophobicContact CD1-CG 4.24Å; Y139-P147 HydrophobicContact CD2-CB 4.31Å; Y139-P147 HydrophobicContact CE1-CB 3.9Å; Y139-P147 HydrophobicContact CE2-CB 4.34Å; Y139-P147 HydrophobicContact CG-CB 4.09Å; Y139-P147 HydrophobicContact CG-CG 4.43Å; P147-Y149 HydrophobicContact CG-CE2 3.68Å; P147-Y149 VanDerWaalsContact O-CD2 3.29Å; P147-Y149 WeakPolarHBondContact O-CD2 3.2Å; P147-P286 HydrophobicContact CB-CB 4.35Å
148D93.6Very high92.5Very high86 Ų8649.8 Ų49.846%0.4625%0.254SS..PPolyproline II helixtrans-80.4129.2172.7-59-54.7000109.3R145 P286 S287R145-D148 IonicContact CZ-OD2 2.6Å; R145-D148 IonicContact NH1-OD1 2.67Å; R145-D148 IonicContact NH1-OD2 3.64Å; R145-D148 PolarHBondContact NH1-OD2 3.07Å; R145-D148 IonicContact NH2-OD2 3.15Å; D148-P286 WeakPolarHBondContact O-CA 3.33Å; D148-S287 PolarHBondContact O-N 3.26Å
149Y97Very high92.9Very high44 Ų4449.4 Ų49.417%0.17325%0.25CS..EExtended strand (participates in β ladder)trans-104.8137.8-176-76.5-80.9000111.8E136 P147 G267 R284 P286E136-Y149 VanDerWaalsContact CG-OH 3.26Å; E136-Y149 WeakPolarHBondContact CG-OH 3.32Å; E136-Y149 PolarHBondContact OE1-OH 3.39Å; P147-Y149 HydrophobicContact CG-CE2 3.68Å; P147-Y149 VanDerWaalsContact O-CD2 3.29Å; P147-Y149 WeakPolarHBondContact O-CD2 3.2Å; Y149-G267 VanDerWaalsContact CE1-O 3.31Å; Y149-G267 WeakPolarHBondContact CE1-O 3.46Å; Y149-R284 HydrophobicContact CD1-CG 3.76Å; Y149-R284 HydrophobicContact CG-CG 4.24Å; Y149-P286 HydrophobicContact CD1-CG 4.29Å; Y149-P286 HydrophobicContact CE1-CB 4.46Å; Y149-P286 HydrophobicContact CE1-CG 3.7Å
150L97.6Very high93.3Very high41 Ų4148 Ų4822%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-108153.6172.5-53.7-179.7000109.7F163 R284 S285 A290L150-F163 HydrophobicContact CB-CB 4.07Å; L150-F163 HydrophobicContact CB-CD1 3.58Å; L150-F163 HydrophobicContact CB-CE1 4.36Å; L150-F163 HydrophobicContact CB-CG 4.12Å; L150-F163 HydrophobicContact CD1-CB 4.02Å; L150-F163 HydrophobicContact CD1-CG 4.45Å; L150-R284 WeakPolarHBondContact O-CA 3.08Å; L150-S285 PolarHBondContact N-O 3.45Å; L150-S285 PolarHBondContact O-N 3.02Å; L150-A290 HydrophobicContact CD1-CB 4.15Å
151H98.3Very high93.7Very high7 Ų744.4 Ų44.43%0.03223%0.226CC..EExtended strand (participates in β ladder)trans-124.4132.3177.2176.467.5000111.2F163 V283 I381H151-F163 WeakPolarHBondContact O-CA 3.48Å; H151-V283 CarbonylContact C-O 3.59Å; H151-V283 VanDerWaalsContact CA-O 3.24Å; H151-V283 WeakPolarHBondContact CA-O 3.49Å; H151-V283 PolarHBondContact ND1-O 3.2Å; H151-V283 VanDerWaalsContact ND1-O 3.07Å; H151-I381 HydrophobicContact CB-CD1 4.18Å; H151-I381 HydrophobicContact CB-CG1 3.6Å
152C98.6Very high94.2Very high1 Ų136.5 Ų36.51%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-120.5141.9168.4174.70000109.1R161 F163 S282 V283 C302C152-R161 CarbonylContact C-O 3.58Å; C152-R161 VanDerWaalsContact CA-O 3.24Å; C152-R161 WeakPolarHBondContact CA-O 3.35Å; C152-R161 PolarHBondContact SG-O 3.25Å; C152-F163 HydrophobicContact CB-CD1 3.68Å; C152-F163 HydrophobicContact CB-CD2 4.48Å; C152-F163 HydrophobicContact CB-CE1 3.48Å; C152-F163 VanDerWaalsContact CB-CE1 3.48Å; C152-F163 HydrophobicContact CB-CE2 4.33Å; C152-F163 HydrophobicContact CB-CG 4.18Å; C152-F163 HydrophobicContact CB-CZ 3.84Å; C152-S282 CarbonylContact O-C 3.56Å; C152-V283 HydrophobicContact CB-CB 4.42Å; C152-V283 PolarHBondContact N-O 3.23Å; C152-V283 PolarHBondContact O-N 3.3Å; C152-C302 HydrophobicContact CB-CB 3.64Å; C152-C302 WeakPolarHBondContact CB-SG 3.29Å; C152-C302 WeakPolarHBondContact SG-CA 3.44Å; C152-C302 WeakPolarHBondContact SG-CB 3.39Å; C152-C302 CovalentContact SG-SG 2.04Å; C152-C302 PolarHBondContact SG-SG 3.42Å
153G98.3Very high94.7Very high1 Ų129.5 Ų29.51%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-134135.9174.400000111.2V160 R161 L281G153-V160 CarbonylContact O-C 3.5Å; G153-V160 WeakPolarHBondContact O-CA 3.41Å; G153-R161 PolarHBondContact N-O 3.39Å; G153-R161 PolarHBondContact O-N 2.97Å; G153-L281 CarbonylContact C-O 3.57Å; G153-L281 WeakPolarHBondContact CA-O 3.46Å
154V98.2Very high95Very high1 Ų131 Ų311%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-131.9115.3173.8-171.30000109P158 H159 V160 L178 L202 G280 L281V154-P158 HydrophobicContact CG1-CB 4Å; V154-H159 VanDerWaalsContact CA-O 3.26Å; V154-H159 WeakPolarHBondContact CA-O 3.36Å; V154-V160 HydrophobicContact CG1-CG2 4.22Å; V154-V160 HydrophobicContact CG2-CG1 4.35Å; V154-V160 HydrophobicContact CG2-CG2 4.32Å; V154-L178 HydrophobicContact CB-CD1 4.19Å; V154-L178 HydrophobicContact CG1-CD2 4.46Å; V154-L178 HydrophobicContact CG2-CD1 3.95Å; V154-L178 HydrophobicContact CG2-CD2 4.15Å; V154-L202 HydrophobicContact CB-CD1 4.38Å; V154-L202 HydrophobicContact CG1-CD1 3.77Å; V154-G280 CarbonylContact O-C 3.53Å; V154-G280 WeakPolarHBondContact O-CA 3.16Å; V154-L281 PolarHBondContact N-O 3.08Å; V154-L281 PolarHBondContact O-N 3.47Å
155F96.9Very high95.2Very high6 Ų630.3 Ų30.33%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-156.8165.4-169.959.8-86.6000112.2P158 H159 F167 Y350 A353 A370 A373F155-P158 WeakPolarHBondContact O-CA 3.44Å; F155-H159 HydrophobicContact CD2-CB 4.25Å; F155-H159 HydrophobicContact CE1-CB 4.25Å; F155-H159 HydrophobicContact CE2-CB 3.94Å; F155-H159 HydrophobicContact CZ-CB 3.93Å; F155-H159 PolarHBondContact N-O 3.14Å; F155-H159 VanDerWaalsContact N-O 3.1Å; F155-H159 WeakPolarHBondContact O-CB 3.45Å; F155-H159 PolarHBondContact O-CD2 3.03Å; F155-H159 PolarHBondContact O-N 3.06Å; F155-F167 HydrophobicContact CZ-CE2 4.18Å; F155-Y350 HydrophobicContact CE1-CD1 4.47Å; F155-Y350 HydrophobicContact CE1-CE1 4.23Å; F155-Y350 HydrophobicContact CE2-CD1 4.35Å; F155-Y350 AromaticContact CZ-CD1 3.8Å; F155-Y350 HydrophobicContact CZ-CD1 3.8Å; F155-Y350 AromaticContact CZ-CE1 4Å; F155-Y350 HydrophobicContact CZ-CE1 4Å; F155-A353 HydrophobicContact CE2-CB 3.6Å; F155-A353 HydrophobicContact CZ-CB 4.19Å; F155-A370 HydrophobicContact CE2-CB 4.3Å; F155-A373 HydrophobicContact CB-CB 4.06Å; F155-A373 HydrophobicContact CD1-CB 3.39Å; F155-A373 HydrophobicContact CD2-CB 3.68Å; F155-A373 HydrophobicContact CE1-CB 3.63Å; F155-A373 HydrophobicContact CE2-CB 3.88Å; F155-A373 HydrophobicContact CG-CB 3.42Å; F155-A373 VanDerWaalsContact CG-CB 3.42Å; F155-A373 HydrophobicContact CZ-CB 3.86Å
156G93.1Very high95.2Very high5 Ų528.8 Ų28.85%0.05214%0.141CC..THydrogen-bonded Turntrans61.4-144.1179.200000112.6D357G156-D357 WeakPolarHBondContact CA-OD2 3.44Å
157D84.7Confident95.5Very high5 Ų525.6 Ų25.63%0.02712%0.119CC..THydrogen-bonded Turntrans-77.896.8170.6-80.7-33.3000110.6H159 T200 F356 D357D157-H159 VanDerWaalsContact C-N 3.32Å; D157-H159 PolarHBondContact O-N 2.96Å; D157-H159 PolarHBondContact O-ND1 3.13Å; D157-T200 VanDerWaalsContact CA-O 3.25Å; D157-T200 WeakPolarHBondContact CA-O 3.03Å; D157-T200 VanDerWaalsContact OD1-C 3.3Å; D157-T200 PolarHBondContact OD1-N 3.37Å; D157-F356 HydrophobicContact CB-CD1 4.03Å; D157-F356 HydrophobicContact CB-CE1 3.75Å; D157-D357 WeakPolarHBondContact CB-OD1 3.47Å; D157-D357 PolarHBondContact N-OD1 3.13Å
158P92.2Very high95.6Very high1 Ų126.2 Ų26.21%0.00612%0.121CC..THydrogen-bonded Turn-45.999.9-124.323.9-33.4000111.6V154 F155 C170 V172 T200V154-P158 HydrophobicContact CG1-CB 4Å; F155-P158 WeakPolarHBondContact O-CA 3.44Å; P158-C170 VanDerWaalsContact CD-O 3.29Å; P158-C170 WeakPolarHBondContact CD-O 3.29Å; P158-C170 HydrophobicContact CG-CB 4.4Å; P158-C170 VanDerWaalsContact CG-O 3.28Å; P158-C170 WeakPolarHBondContact CG-O 3.44Å; P158-C170 WeakPolarHBondContact O-CB 3.04Å; P158-C170 PolarHBondContact O-N 2.8Å; P158-V172 HydrophobicContact CB-CG2 4.3Å; P158-V172 HydrophobicContact CG-CG2 3.51Å; P158-T200 WeakPolarHBondContact CD-O 3.34Å; P158-T200 WeakPolarHBondContact CD-OG1 3.4Å
159H95.8Very high95.6Very high0 Ų022.3 Ų22.30%010%0.101CC..EExtended strand (participates in β ladder)trans-78.4121.9167.3-58.9-58.4000107.9V154 F155 D157 F167 Q168 T169 A353 F356 D357V154-H159 VanDerWaalsContact CA-O 3.26Å; V154-H159 WeakPolarHBondContact CA-O 3.36Å; F155-H159 HydrophobicContact CD2-CB 4.25Å; F155-H159 HydrophobicContact CE1-CB 4.25Å; F155-H159 HydrophobicContact CE2-CB 3.94Å; F155-H159 HydrophobicContact CZ-CB 3.93Å; F155-H159 PolarHBondContact N-O 3.14Å; F155-H159 VanDerWaalsContact N-O 3.1Å; F155-H159 WeakPolarHBondContact O-CB 3.45Å; F155-H159 PolarHBondContact O-CD2 3.03Å; F155-H159 PolarHBondContact O-N 3.06Å; D157-H159 VanDerWaalsContact C-N 3.32Å; D157-H159 PolarHBondContact O-N 2.96Å; D157-H159 PolarHBondContact O-ND1 3.13Å; H159-F167 HydrophobicContact CB-CE2 3.71Å; H159-F167 HydrophobicContact CB-CZ 3.81Å; H159-F167 AromaticContact CG-CZ 3.95Å; H159-F167 AromaticContact ND1-CZ 3.85Å; H159-Q168 CarbonylContact C-O 3.57Å; H159-Q168 WeakPolarHBondContact CA-O 3.24Å; H159-T169 PolarHBondContact CE1-OG1 2.96Å; H159-T169 WeakPolarHBondContact ND1-CG2 3.32Å; H159-T169 PolarHBondContact ND1-OG1 3.41Å; H159-A353 HydrophobicContact CB-CB 4.37Å; H159-A353 WeakPolarHBondContact CD2-CB 3.33Å; H159-A353 WeakPolarHBondContact NE2-CA 3.46Å; H159-A353 PolarHBondContact NE2-O 2.78Å; H159-F356 AromaticContact CE1-CD1 3.6Å; H159-F356 AromaticContact CE1-CG 3.79Å; H159-D357 IonicContact CD2-OD1 3.06Å; H159-D357 IonicContact CD2-OD2 3.95Å; H159-D357 IonicContact NE2-OD1 3.72Å; H159-D357 PolarHBondContact NE2-OD1 3.25Å; H159-D357 IonicContact NE2-OD2 2.72Å
160V97.3Very high95.3Very high0 Ų020.2 Ų20.20%09%0.093CC..EExtended strand (participates in β ladder)trans-109.5115.5-178-176.80000108.6G153 V154 T162 F167 Q168 C170 L301G153-V160 CarbonylContact O-C 3.5Å; G153-V160 WeakPolarHBondContact O-CA 3.41Å; V154-V160 HydrophobicContact CG1-CG2 4.22Å; V154-V160 HydrophobicContact CG2-CG1 4.35Å; V154-V160 HydrophobicContact CG2-CG2 4.32Å; V160-T162 HydrophobicContact CG1-CG2 4.12Å; V160-F167 CarbonylContact O-C 3.59Å; V160-F167 WeakPolarHBondContact O-CA 3.39Å; V160-Q168 PolarHBondContact N-O 3.48Å; V160-Q168 PolarHBondContact O-N 3.35Å; V160-C170 VanDerWaalsContact CG2-SG 3.6Å; V160-L301 HydrophobicContact CG1-CB 4.35Å; V160-L301 WeakPolarHBondContact CG1-O 3.42Å; V160-L301 HydrophobicContact CG2-CD1 4.4Å
161R97.5Very high94.9Very high0 Ų019 Ų190%09%0.089CC..EExtended strand (participates in β ladder)trans-93.7113.1158.5177.1-179.3178.1139.37.9107.9C152 G153 D165 E166 Y350 K386 V387 L389C152-R161 CarbonylContact C-O 3.58Å; C152-R161 VanDerWaalsContact CA-O 3.24Å; C152-R161 WeakPolarHBondContact CA-O 3.35Å; C152-R161 PolarHBondContact SG-O 3.25Å; G153-R161 PolarHBondContact N-O 3.39Å; G153-R161 PolarHBondContact O-N 2.97Å; R161-D165 IonicContact CZ-OD1 2.68Å; R161-D165 IonicContact NE-OD1 2.82Å; R161-D165 PolarHBondContact NE-OD1 3.46Å; R161-D165 IonicContact NH2-OD1 3.55Å; R161-D165 PolarHBondContact NH2-OD1 3.19Å; R161-E166 CarbonylContact C-O 3.53Å; R161-E166 VanDerWaalsContact CA-O 3.3Å; R161-E166 WeakPolarHBondContact CA-O 3.31Å; R161-Y350 PolarHBondContact NH1-OH 3.32Å; R161-Y350 VanDerWaalsContact NH1-OH 3.16Å; R161-K386 PolarHBondContact NH1-O 2.89Å; R161-K386 PolarHBondContact NH2-O 2.9Å; R161-V387 PolarHBondContact NH1-O 3.05Å; R161-L389 HydrophobicContact CG-CD1 4.31Å
162T97.8Very high94.4Very high0 Ų018.9 Ų18.90%09%0.088CC..  trans-77.1166.7179.773.20000111.5V160 R164 D165 E166 C302V160-T162 HydrophobicContact CG1-CG2 4.12Å; T162-R164 PolarHBondContact O-N 3.31Å; T162-R164 PolarHBondContact OG1-N 3.3Å; T162-D165 PolarHBondContact O-N 3.27Å; T162-E166 HydrophobicContact CG2-CB 4.13Å; T162-E166 PolarHBondContact N-O 3.42Å; T162-E166 WeakPolarHBondContact OG1-CB 3.1Å; T162-E166 PolarHBondContact OG1-N 3.02Å; T162-C302 CarbonylContact C-O 3.59Å; T162-C302 WeakPolarHBondContact CA-O 3.37Å; T162-C302 WeakPolarHBondContact CB-O 3.23Å
163F97.3Very high94.1Very high15 Ų1524.8 Ų24.87%0.06612%0.116CC..THydrogen-bonded Turntrans-59-15.4170.6-71.6-50.7000114L150 H151 C152 I179 V283 A290 C302 V303L150-F163 HydrophobicContact CB-CB 4.07Å; L150-F163 HydrophobicContact CB-CD1 3.58Å; L150-F163 HydrophobicContact CB-CE1 4.36Å; L150-F163 HydrophobicContact CB-CG 4.12Å; L150-F163 HydrophobicContact CD1-CB 4.02Å; L150-F163 HydrophobicContact CD1-CG 4.45Å; H151-F163 WeakPolarHBondContact O-CA 3.48Å; C152-F163 HydrophobicContact CB-CD1 3.68Å; C152-F163 HydrophobicContact CB-CD2 4.48Å; C152-F163 HydrophobicContact CB-CE1 3.48Å; C152-F163 VanDerWaalsContact CB-CE1 3.48Å; C152-F163 HydrophobicContact CB-CE2 4.33Å; C152-F163 HydrophobicContact CB-CG 4.18Å; C152-F163 HydrophobicContact CB-CZ 3.84Å; F163-I179 HydrophobicContact CE2-CD1 4.23Å; F163-I179 HydrophobicContact CE2-CG1 4.35Å; F163-I179 HydrophobicContact CZ-CD1 3.91Å; F163-V283 HydrophobicContact CE1-CB 4.49Å; F163-V283 HydrophobicContact CE1-CG1 4.33Å; F163-V283 HydrophobicContact CZ-CG1 4.15Å; F163-A290 HydrophobicContact CD2-CB 4.02Å; F163-A290 HydrophobicContact CE2-CB 3.88Å; F163-A290 HydrophobicContact CG-CB 4.4Å; F163-A290 HydrophobicContact CZ-CB 4.16Å; F163-C302 HydrophobicContact CD2-CB 3.83Å; F163-C302 WeakPolarHBondContact CD2-O 3.47Å; F163-C302 HydrophobicContact CE2-CB 3.59Å; F163-C302 HydrophobicContact CZ-CB 4.18Å; F163-C302 PolarHBondContact N-O 3.03Å; F163-V303 HydrophobicContact CD2-CG2 4.31Å
164R95.3Very high93.9Very high146 Ų14626 Ų2655%0.55113%0.128SC*.THydrogen-bonded Turntrans-9915.1176.7-62.9-176.5-178.3161.53.9113T162 E166T162-R164 PolarHBondContact O-N 3.31Å; T162-R164 PolarHBondContact OG1-N 3.3Å; R164-E166 PolarHBondContact O-N 2.94Å
165D94.6Very high93.8Very high54 Ų5428.7 Ų28.729%0.28915%0.15SC..SBendtrans60.129.4-179.1-60.7-41.9000113.1R161 T162 L389R161-D165 IonicContact CZ-OD1 2.68Å; R161-D165 IonicContact NE-OD1 2.82Å; R161-D165 PolarHBondContact NE-OD1 3.46Å; R161-D165 IonicContact NH2-OD1 3.55Å; R161-D165 PolarHBondContact NH2-OD1 3.19Å; T162-D165 PolarHBondContact O-N 3.27Å; D165-L389 HydrophobicContact CB-CD1 3.91Å; D165-L389 HydrophobicContact CB-CD2 3.93Å; D165-L389 VanDerWaalsContact O-CD1 3.31Å; D165-L389 WeakPolarHBondContact O-CD1 3.31Å
166E93.6Very high93.8Very high87 Ų8730.6 Ų30.641%0.40716%0.157SC..  trans-89.1137.4168.9-60.8-178.3-174.900109.8R161 T162 R164 Q168R161-E166 CarbonylContact C-O 3.53Å; R161-E166 VanDerWaalsContact CA-O 3.3Å; R161-E166 WeakPolarHBondContact CA-O 3.31Å; T162-E166 HydrophobicContact CG2-CB 4.13Å; T162-E166 PolarHBondContact N-O 3.42Å; T162-E166 WeakPolarHBondContact OG1-CB 3.1Å; T162-E166 PolarHBondContact OG1-N 3.02Å; R164-E166 PolarHBondContact O-N 2.94Å; E166-Q168 PolarHBondContact OE2-NE2 2.8Å
167F95.1Very high94Very high30 Ų3031.2 Ų31.213%0.13216%0.161CC..EExtended strand (participates in β ladder)trans-113.4129.2178.2-179-98.7000111.4F155 H159 V160 I349 A353F155-F167 HydrophobicContact CZ-CE2 4.18Å; H159-F167 HydrophobicContact CB-CE2 3.71Å; H159-F167 HydrophobicContact CB-CZ 3.81Å; H159-F167 AromaticContact CG-CZ 3.95Å; H159-F167 AromaticContact ND1-CZ 3.85Å; V160-F167 CarbonylContact O-C 3.59Å; V160-F167 WeakPolarHBondContact O-CA 3.39Å; F167-I349 HydrophobicContact CB-CB 4.17Å; F167-I349 HydrophobicContact CB-CD1 4.31Å; F167-I349 HydrophobicContact CB-CG2 3.48Å; F167-I349 VanDerWaalsContact CB-CG2 3.48Å; F167-I349 HydrophobicContact CD1-CB 3.96Å; F167-I349 HydrophobicContact CD1-CG2 3.69Å; F167-I349 HydrophobicContact CD2-CB 3.67Å; F167-I349 HydrophobicContact CD2-CD1 3.61Å; F167-I349 HydrophobicContact CD2-CG1 4.23Å; F167-I349 HydrophobicContact CD2-CG2 3.97Å; F167-I349 HydrophobicContact CE1-CB 4.25Å; F167-I349 HydrophobicContact CE1-CG2 4.41Å; F167-I349 HydrophobicContact CE2-CB 3.95Å; F167-I349 HydrophobicContact CE2-CD1 4.21Å; F167-I349 HydrophobicContact CG-CB 3.65Å; F167-I349 HydrophobicContact CG-CD1 4.16Å; F167-I349 HydrophobicContact CG-CG2 3.42Å; F167-I349 VanDerWaalsContact CG-CG2 3.42Å; F167-I349 HydrophobicContact CZ-CB 4.24Å; F167-A353 HydrophobicContact CZ-CB 4.07Å
168Q94.4Very high94.6Very high20 Ų2031.1 Ų31.19%0.09316%0.16CC..EExtended strand (participates in β ladder)trans-142.8140.7-176.6-56.2176.21000109.8H159 V160 E166 G305 C306H159-Q168 CarbonylContact C-O 3.57Å; H159-Q168 WeakPolarHBondContact CA-O 3.24Å; V160-Q168 PolarHBondContact N-O 3.48Å; V160-Q168 PolarHBondContact O-N 3.35Å; E166-Q168 PolarHBondContact OE2-NE2 2.8Å; Q168-G305 VanDerWaalsContact OE1-CA 3.29Å; Q168-C306 PolarHBondContact OE1-SG 3.42Å
169T93.4Very high94.9Very high5 Ų531.1 Ų31.13%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-99.7130.3168.5-57.10000108.5H159 L312 F356H159-T169 PolarHBondContact CE1-OG1 2.96Å; H159-T169 WeakPolarHBondContact ND1-CG2 3.32Å; H159-T169 PolarHBondContact ND1-OG1 3.41Å; T169-L312 HydrophobicContact CG2-CB 4.23Å; T169-L312 HydrophobicContact CG2-CD1 4.23Å; T169-L312 PolarHBondContact O-N 3.23Å; T169-F356 HydrophobicContact CG2-CD1 4Å; T169-F356 HydrophobicContact CG2-CD2 4.2Å; T169-F356 HydrophobicContact CG2-CE1 3.75Å; T169-F356 HydrophobicContact CG2-CE2 3.94Å; T169-F356 HydrophobicContact CG2-CG 4.23Å; T169-F356 HydrophobicContact CG2-CZ 3.72Å
170C91.9Very high95Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-124.8141.4-168-51.50000111.2P158 V160 V172 C306 Q310P158-C170 VanDerWaalsContact CD-O 3.29Å; P158-C170 WeakPolarHBondContact CD-O 3.29Å; P158-C170 HydrophobicContact CG-CB 4.4Å; P158-C170 VanDerWaalsContact CG-O 3.28Å; P158-C170 WeakPolarHBondContact CG-O 3.44Å; P158-C170 WeakPolarHBondContact O-CB 3.04Å; P158-C170 PolarHBondContact O-N 2.8Å; V160-C170 VanDerWaalsContact CG2-SG 3.6Å; C170-V172 HydrophobicContact CB-CB 4.38Å; C170-V172 HydrophobicContact CB-CG1 3.99Å; C170-V172 HydrophobicContact CB-CG2 3.67Å; C170-C306 HydrophobicContact CB-CB 3.63Å; C170-C306 WeakPolarHBondContact CB-SG 3.42Å; C170-C306 WeakPolarHBondContact SG-CB 3.44Å; C170-C306 CovalentContact SG-SG 2.03Å; C170-C306 PolarHBondContact SG-SG 3.2Å; C170-Q310 WeakPolarHBondContact CA-O 3.36Å
171A89Confident94.9Very high16 Ų1633 Ų3313%0.13217%0.17CC..  trans-83.7-17.5171.800000113.3Q173 T200 Q310 L312A171-Q173 PolarHBondContact O-N 3.44Å; A171-T200 VanDerWaalsContact O-CG2 3.29Å; A171-T200 WeakPolarHBondContact O-CG2 3.38Å; A171-T200 PolarHBondContact O-OG1 2.94Å; A171-Q310 PolarHBondContact N-O 2.77Å; A171-L312 HydrophobicContact CB-CD1 4.21Å; A171-L312 HydrophobicContact CB-CD2 4.04Å; A171-L312 HydrophobicContact CB-CG 4.16Å
172V88.4Confident94.8Very high4 Ų438.3 Ų38.32%0.02420%0.195CC..  trans-16.377.9-174.8-73.20000115.7P158 C170 W176 S190 L301 C306 Q310P158-V172 HydrophobicContact CB-CG2 4.3Å; P158-V172 HydrophobicContact CG-CG2 3.51Å; C170-V172 HydrophobicContact CB-CB 4.38Å; C170-V172 HydrophobicContact CB-CG1 3.99Å; C170-V172 HydrophobicContact CB-CG2 3.67Å; V172-W176 HydrophobicContact CB-CD2 3.89Å; V172-W176 HydrophobicContact CB-CG 3.92Å; V172-W176 HydrophobicContact CB-CZ2 4.25Å; V172-W176 HydrophobicContact CG1-CD2 3.96Å; V172-W176 HydrophobicContact CG1-CE3 4.26Å; V172-W176 HydrophobicContact CG1-CG 4.4Å; V172-W176 HydrophobicContact CG1-CH2 4.43Å; V172-W176 HydrophobicContact CG1-CZ2 4.15Å; V172-W176 HydrophobicContact CG1-CZ3 4.49Å; V172-W176 PolarHBondContact O-NE1 3.3Å; V172-S190 PolarHBondContact O-OG 3.14Å; V172-L301 HydrophobicContact CG1-CD1 4.36Å; V172-L301 HydrophobicContact CG1-CD2 4.49Å; V172-L301 HydrophobicContact CG2-CD1 4.14Å; V172-C306 HydrophobicContact CG1-CB 3.93Å; V172-Q310 HydrophobicContact CG1-CB 3.81Å; V172-Q310 HydrophobicContact CG1-CG 4.13Å
173Q92.2Very high94.7Very high125 Ų12540.4 Ų40.458%0.58420%0.203SC*.  trans-76.5140.1-177.5-172.3-178.4-0.300111.8A171 W176 S190A171-Q173 PolarHBondContact O-N 3.44Å; Q173-W176 PolarHBondContact O-NE1 2.95Å; Q173-S190 WeakPolarHBondContact CA-OG 3.33Å
174G94.1Very high94.6Very high25 Ų2539.9 Ų39.926%0.25820%0.201SC..EExtended strand (participates in β ladder)trans88.7-155.9177.400000112.2T189 S190G174-T189 CarbonylContact O-C 3.55Å; G174-T189 VanDerWaalsContact O-CA 3.27Å; G174-T189 WeakPolarHBondContact O-CA 3.4Å; G174-S190 PolarHBondContact N-O 3.14Å; G174-S190 PolarHBondContact N-OG 3.14Å; G174-S190 PolarHBondContact O-N 2.94Å
175A95.9Very high94.8Very high58 Ų5835.6 Ų35.648%0.47919%0.185SC..EExtended strand (participates in β ladder)trans-86.6122.6-17600000111.6Q187 A188A175-Q187 HydrophobicContact CB-CG 4.16Å; A175-A188 WeakPolarHBondContact CA-O 3.4Å
176W96.4Very high95Very high46 Ų4633 Ų3317%0.17417%0.172CC..EExtended strand (participates in β ladder)trans-127.2136.9179.3-68.184000111.6V172 Q173 L178 Q187 A188 L299 L301 P307 Q310V172-W176 HydrophobicContact CB-CD2 3.89Å; V172-W176 HydrophobicContact CB-CG 3.92Å; V172-W176 HydrophobicContact CB-CZ2 4.25Å; V172-W176 HydrophobicContact CG1-CD2 3.96Å; V172-W176 HydrophobicContact CG1-CE3 4.26Å; V172-W176 HydrophobicContact CG1-CG 4.4Å; V172-W176 HydrophobicContact CG1-CH2 4.43Å; V172-W176 HydrophobicContact CG1-CZ2 4.15Å; V172-W176 HydrophobicContact CG1-CZ3 4.49Å; V172-W176 PolarHBondContact O-NE1 3.3Å; Q173-W176 PolarHBondContact O-NE1 2.95Å; W176-L178 PolarHBondContact O-N 2.72Å; W176-Q187 WeakPolarHBondContact O-CA 3.29Å; W176-A188 PolarHBondContact N-O 2.63Å; W176-A188 PolarHBondContact O-N 3.25Å; W176-L299 HydrophobicContact CE3-CD1 4.33Å; W176-L299 HydrophobicContact CE3-CD2 4.16Å; W176-L299 HydrophobicContact CZ3-CD1 4.08Å; W176-L299 HydrophobicContact CZ3-CD2 4.11Å; W176-L301 HydrophobicContact CB-CD1 4.17Å; W176-P307 HydrophobicContact CH2-CG 4.48Å; W176-P307 HydrophobicContact CZ3-CG 4.05Å; W176-Q310 HydrophobicContact CH2-CG 4.03Å; W176-Q310 HydrophobicContact CZ2-CG 4.28Å
177P97.3Very high95.2Very high19 Ų1931.6 Ų31.612%0.12317%0.165CC..EExtended strand (participates in β ladder)trans-72.5115.9172.230.2-34.3000109.9Y185 V186 L299 Q300 L301P177-Y185 HydrophobicContact CB-CE2 4.13Å; P177-V186 CarbonylContact C-O 3.51Å; P177-L299 HydrophobicContact CG-CB 4.3Å; P177-L299 HydrophobicContact CG-CD2 3.95Å; P177-L299 HydrophobicContact CG-CG 3.82Å; P177-L299 WeakPolarHBondContact CG-O 3.32Å; P177-Q300 WeakPolarHBondContact O-CA 3.4Å; P177-L301 PolarHBondContact O-N 2.87Å
178L98.1Very high95.3Very high2 Ų230.2 Ų30.21%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-79.2-44171.5-56.9-169000110.3V154 W176 V186 A188 L281 L301 C302V154-L178 HydrophobicContact CB-CD1 4.19Å; V154-L178 HydrophobicContact CG1-CD2 4.46Å; V154-L178 HydrophobicContact CG2-CD1 3.95Å; V154-L178 HydrophobicContact CG2-CD2 4.15Å; W176-L178 PolarHBondContact O-N 2.72Å; L178-V186 HydrophobicContact CB-CB 4.19Å; L178-V186 HydrophobicContact CB-CG1 3.97Å; L178-V186 HydrophobicContact CD1-CG1 4.08Å; L178-V186 HydrophobicContact CG-CG1 4.28Å; L178-V186 PolarHBondContact N-O 2.7Å; L178-A188 HydrophobicContact CD1-CB 3.6Å; L178-A188 HydrophobicContact CD2-CB 4.09Å; L178-A188 HydrophobicContact CG-CB 3.79Å; L178-L281 HydrophobicContact CD1-CB 4.43Å; L178-L281 HydrophobicContact CD1-CD2 3.57Å; L178-L301 HydrophobicContact CD2-CB 3.94Å; L178-L301 HydrophobicContact CD2-CD1 3.63Å; L178-L301 HydrophobicContact CD2-CG 4.04Å; L178-L301 PolarHBondContact O-N 2.76Å; L178-C302 VanDerWaalsContact O-CB 3.25Å; L178-C302 WeakPolarHBondContact O-CB 3.4Å; L178-C302 PolarHBondContact O-N 2.81Å
179I98.4Very high95.5Very high2 Ų231 Ų311%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-137.6131.9177.2-59.1175.3000107.5F163 N181 L184 Y185 V186 V283 C302F163-I179 HydrophobicContact CE2-CD1 4.23Å; F163-I179 HydrophobicContact CE2-CG1 4.35Å; F163-I179 HydrophobicContact CZ-CD1 3.91Å; I179-N181 HydrophobicContact CG2-CB 4.48Å; I179-L184 HydrophobicContact CD1-CD2 4.33Å; I179-Y185 CarbonylContact O-C 3.51Å; I179-Y185 WeakPolarHBondContact O-CA 3.4Å; I179-V186 HydrophobicContact CB-CB 4.05Å; I179-V186 HydrophobicContact CB-CG2 4.01Å; I179-V186 HydrophobicContact CD1-CG2 4.14Å; I179-V186 HydrophobicContact CG1-CB 4.45Å; I179-V186 HydrophobicContact CG1-CG2 4.35Å; I179-V186 PolarHBondContact N-O 3.16Å; I179-V186 PolarHBondContact O-N 2.92Å; I179-V283 HydrophobicContact CD1-CB 4.38Å; I179-V283 HydrophobicContact CD1-CG1 3.93Å; I179-V283 HydrophobicContact CD1-CG2 4.04Å; I179-C302 HydrophobicContact CG1-CB 3.91Å
180D97.3Very high95.5Very high35 Ų3531 Ų3119%0.18717%0.166CC..EExtended strand (participates in β ladder)trans-142.292.9167.8-177.927.6000109.2Y185 K210 Q297 Q300D180-Y185 HydrophobicContact CB-CD2 3.76Å; D180-Y185 HydrophobicContact CB-CE2 4.13Å; D180-K210 IonicContact OD1-NZ 3.57Å; D180-K210 PolarHBondContact OD1-NZ 3.32Å; D180-Q297 PolarHBondContact O-NE2 3.07Å; D180-Q297 PolarHBondContact OD1-NE2 3.14Å; D180-Q297 WeakPolarHBondContact OD2-CG 3.41Å; D180-Q297 PolarHBondContact OD2-NE2 2.79Å; D180-Q300 HydrophobicContact CB-CG 4.08Å; D180-Q300 PolarHBondContact O-NE2 2.8Å; D180-Q300 VanDerWaalsContact O-NE2 3.08Å; D180-Q300 PolarHBondContact O-OE1 2.76Å; D180-Q300 VanDerWaalsContact O-OE1 3.09Å
181N95.5Very high95.5Very high4 Ų432.3 Ų32.32%0.02118%0.176CC..SBendtrans-128.3-176.6-178.472.125.6000111I179 Y183 L184 K210 I289 A292 F293I179-N181 HydrophobicContact CG2-CB 4.48Å; N181-Y183 PolarHBondContact O-N 2.98Å; N181-Y183 VanDerWaalsContact O-N 3.08Å; N181-Y183 PolarHBondContact OD1-N 3.36Å; N181-L184 PolarHBondContact N-O 3.03Å; N181-L184 VanDerWaalsContact N-O 3.07Å; N181-L184 PolarHBondContact OD1-N 3.13Å; N181-L184 PolarHBondContact OD1-O 3.47Å; N181-K210 WeakPolarHBondContact O-CE 3.26Å; N181-K210 PolarHBondContact O-NZ 2.86Å; N181-I289 PolarHBondContact ND2-O 3.4Å; N181-A292 WeakPolarHBondContact CB-O 3.1Å; N181-F293 HydrophobicContact CB-CB 4.09Å
182E94.4Very high95.5Very high111 Ų11135.5 Ų35.552%0.51920%0.196SC..SBendtrans-59.5-20.9-177.8-74.6-178.7-176.800114.4A292E182-A292 WeakPolarHBondContact CG-O 3.49Å; E182-A292 PolarHBondContact N-O 3.27Å
183Y95.7Very high95.1Very high44 Ų4437.4 Ų37.417%0.17321%0.205CC..SBendtrans-114-31-168.3-53.9-71.2000114.1N181 K210 W212 I266 I289 A292N181-Y183 PolarHBondContact O-N 2.98Å; N181-Y183 VanDerWaalsContact O-N 3.08Å; N181-Y183 PolarHBondContact OD1-N 3.36Å; Y183-K210 WeakPolarHBondContact O-CB 3.31Å; Y183-K210 PolarHBondContact O-N 2.63Å; Y183-W212 AromaticContact CD1-CD1 3.49Å; Y183-W212 VanDerWaalsContact CD1-CD1 3.49Å; Y183-W212 HydrophobicContact CD1-CG 4.44Å; Y183-W212 AromaticContact CD1-NE1 3.68Å; Y183-W212 AromaticContact CE1-CD1 3.5Å; Y183-W212 VanDerWaalsContact CE1-CD1 3.5Å; Y183-W212 AromaticContact CE1-NE1 3.27Å; Y183-W212 VanDerWaalsContact CE1-NE1 3.27Å; Y183-I266 HydrophobicContact CD1-CG2 3.89Å; Y183-I266 HydrophobicContact CG-CG2 4.01Å; Y183-I289 HydrophobicContact CD2-CB 4.41Å; Y183-I289 HydrophobicContact CD2-CD1 3.81Å; Y183-I289 HydrophobicContact CD2-CG2 3.76Å; Y183-I289 HydrophobicContact CE1-CD1 4.45Å; Y183-I289 HydrophobicContact CE2-CD1 3.49Å; Y183-I289 VanDerWaalsContact CE2-CD1 3.49Å; Y183-I289 HydrophobicContact CE2-CG2 4.41Å; Y183-I289 HydrophobicContact CG-CD1 4.38Å; Y183-I289 HydrophobicContact CG-CG2 4.33Å; Y183-A292 HydrophobicContact CD2-CB 4.27Å; Y183-A292 HydrophobicContact CE2-CB 3.58Å
184L96.3Very high93.9Very high4 Ų442.9 Ų42.92%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-143.1137.9-167.9-17070.5000110I179 N181 V186 I207 F209 L270I179-L184 HydrophobicContact CD1-CD2 4.33Å; N181-L184 PolarHBondContact N-O 3.03Å; N181-L184 VanDerWaalsContact N-O 3.07Å; N181-L184 PolarHBondContact OD1-N 3.13Å; N181-L184 PolarHBondContact OD1-O 3.47Å; L184-V186 HydrophobicContact CD2-CG2 3.7Å; L184-V186 HydrophobicContact CG-CG2 3.88Å; L184-I207 HydrophobicContact CD1-CG2 3.59Å; L184-I207 HydrophobicContact CG-CG2 4.42Å; L184-F209 HydrophobicContact CD1-CD1 3.49Å; L184-F209 VanDerWaalsContact CD1-CD1 3.49Å; L184-F209 HydrophobicContact CD1-CE1 3.59Å; L184-F209 HydrophobicContact CD1-CG 4.05Å; L184-F209 HydrophobicContact CD1-CZ 4.25Å; L184-L270 HydrophobicContact CD2-CD1 4.48Å; L184-L270 HydrophobicContact CD2-CD2 3.94Å
185Y98.2Very high92.1Very high57 Ų5745 Ų4522%0.22424%0.242CC..EExtended strand (participates in β ladder)trans-119.6124.5165.2178.7-101.7000109P177 I179 D180 Q187 I207 I208P177-Y185 HydrophobicContact CB-CE2 4.13Å; I179-Y185 CarbonylContact O-C 3.51Å; I179-Y185 WeakPolarHBondContact O-CA 3.4Å; D180-Y185 HydrophobicContact CB-CD2 3.76Å; D180-Y185 HydrophobicContact CB-CE2 4.13Å; Y185-Q187 HydrophobicContact CD1-CB 4.43Å; Y185-Q187 HydrophobicContact CE1-CB 3.61Å; Y185-Q187 HydrophobicContact CE1-CG 4.46Å; Y185-Q187 PolarHBondContact OH-OE1 3.39Å; Y185-I207 CarbonylContact O-C 3.54Å; Y185-I207 WeakPolarHBondContact O-CA 3.4Å; Y185-I208 HydrophobicContact CD1-CD1 3.87Å; Y185-I208 HydrophobicContact CD1-CG1 4.29Å; Y185-I208 PolarHBondContact N-O 3.25Å; Y185-I208 PolarHBondContact O-N 3.37Å
186V98.7Very high90.5Very high0 Ų043.8 Ų43.80%024%0.235CC..EExtended strand (participates in β ladder)trans-121.2119.5175.7-177.50000108.1P177 L178 I179 L184 T206 I207 L270 L281P177-V186 CarbonylContact C-O 3.51Å; L178-V186 HydrophobicContact CB-CB 4.19Å; L178-V186 HydrophobicContact CB-CG1 3.97Å; L178-V186 HydrophobicContact CD1-CG1 4.08Å; L178-V186 HydrophobicContact CG-CG1 4.28Å; L178-V186 PolarHBondContact N-O 2.7Å; I179-V186 HydrophobicContact CB-CB 4.05Å; I179-V186 HydrophobicContact CB-CG2 4.01Å; I179-V186 HydrophobicContact CD1-CG2 4.14Å; I179-V186 HydrophobicContact CG1-CB 4.45Å; I179-V186 HydrophobicContact CG1-CG2 4.35Å; I179-V186 PolarHBondContact N-O 3.16Å; I179-V186 PolarHBondContact O-N 2.92Å; L184-V186 HydrophobicContact CD2-CG2 3.7Å; L184-V186 HydrophobicContact CG-CG2 3.88Å; V186-T206 WeakPolarHBondContact CA-O 3.47Å; V186-I207 HydrophobicContact CG1-CG1 4.19Å; V186-I207 HydrophobicContact CG2-CG1 4.28Å; V186-I207 HydrophobicContact CG2-CG2 4.18Å; V186-L270 HydrophobicContact CG2-CD2 4.17Å; V186-L281 HydrophobicContact CG1-CD2 3.59Å
187Q98.4Very high88.9Confident56 Ų5647.7 Ų47.726%0.26226%0.264SS..EExtended strand (participates in β ladder)trans-114.3136.2173.7-174.9177.6-72.700109.2A175 W176 Y185 T206A175-Q187 HydrophobicContact CB-CG 4.16Å; W176-Q187 WeakPolarHBondContact O-CA 3.29Å; Y185-Q187 HydrophobicContact CD1-CB 4.43Å; Y185-Q187 HydrophobicContact CE1-CB 3.61Å; Y185-Q187 HydrophobicContact CE1-CG 4.46Å; Y185-Q187 PolarHBondContact OH-OE1 3.39Å; Q187-T206 PolarHBondContact N-O 3.04Å; Q187-T206 PolarHBondContact O-N 3.04Å
188A97.9Very high87.6Confident1 Ų154.3 Ų54.31%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-121.9137.5170.700000109.5A175 W176 L178 L202 T204 I205A175-A188 WeakPolarHBondContact CA-O 3.4Å; W176-A188 PolarHBondContact N-O 2.63Å; W176-A188 PolarHBondContact O-N 3.25Å; L178-A188 HydrophobicContact CD1-CB 3.6Å; L178-A188 HydrophobicContact CD2-CB 4.09Å; L178-A188 HydrophobicContact CG-CB 3.79Å; A188-L202 HydrophobicContact CB-CD1 4.34Å; A188-L202 HydrophobicContact CB-CD2 3.7Å; A188-T204 CarbonylContact C-O 3.58Å; A188-T204 WeakPolarHBondContact CA-O 2.89Å; A188-I205 HydrophobicContact CB-CG1 4.3Å
189T97.2Very high86.7Confident37 Ų3754.5 Ų54.523%0.22729%0.289CS..EExtended strand (participates in β ladder)trans-106.9124.7175.4-55.30000108.7G174 I203 T204G174-T189 CarbonylContact O-C 3.55Å; G174-T189 VanDerWaalsContact O-CA 3.27Å; G174-T189 WeakPolarHBondContact O-CA 3.4Å; T189-I203 HydrophobicContact CG2-CD1 4.44Å; T189-I203 HydrophobicContact CG2-CG1 4.34Å; T189-I203 VanDerWaalsContact O-CG1 3.29Å; T189-I203 WeakPolarHBondContact O-CG1 3.34Å; T189-I203 PolarHBondContact O-N 3.39Å; T189-T204 PolarHBondContact N-O 3.01Å; T189-T204 PolarHBondContact O-N 3.01Å
190S94.5Very high86.1Confident6 Ų654.7 Ų54.74%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-105.6151.3173.971.50000111.7V172 Q173 G174 A201V172-S190 PolarHBondContact O-OG 3.14Å; Q173-S190 WeakPolarHBondContact CA-OG 3.33Å; G174-S190 PolarHBondContact N-O 3.14Å; G174-S190 PolarHBondContact N-OG 3.14Å; G174-S190 PolarHBondContact O-N 2.94Å; S190-A201 CarbonylContact C-O 3.54Å; S190-A201 WeakPolarHBondContact CA-O 3.03Å; S190-A201 WeakPolarHBondContact CB-O 3.36Å
191A91.7Very high85.8Confident27 Ų2753.1 Ų53.122%0.22328%0.282CS..EExtended strand (participates in β ladder)trans-132.2149.9174.900000110.9M193 T200 A201 I203A191-M193 PolarHBondContact O-N 3.07Å; A191-T200 CarbonylContact O-C 3.6Å; A191-T200 VanDerWaalsContact O-CA 3.25Å; A191-T200 WeakPolarHBondContact O-CA 3.42Å; A191-A201 PolarHBondContact N-O 2.61Å; A191-A201 PolarHBondContact O-N 2.83Å; A191-I203 HydrophobicContact CB-CD1 3.74Å; A191-I203 HydrophobicContact CB-CG1 4.15Å; A191-I203 HydrophobicContact CB-CG2 3.89Å
192P87.9Confident85.8Confident83 Ų8353.2 Ų53.254%0.53928%0.282SS..EExtended strand (participates in β ladder)trans-63.9136.2178.826.4-33.8000111.3A199P192-A199 WeakPolarHBondContact CA-O 3.11Å
193M80.1Confident85.9Confident43 Ų4350.4 Ų50.421%0.21227%0.27CS..  trans-84.6143.8176.6-73.8-68.9-81.100110.8A191 G195 A199 A201 R277A191-M193 PolarHBondContact O-N 3.07Å; M193-G195 PolarHBondContact O-N 3Å; M193-G195 VanDerWaalsContact O-N 3.1Å; M193-A199 HydrophobicContact CB-CB 4.1Å; M193-A199 PolarHBondContact N-O 2.97Å; M193-A201 HydrophobicContact CE-CB 4.45Å; M193-A201 HydrophobicContact CG-CB 3.64Å; M193-A201 HydrophobicContact SD-CB 3.55Å; M193-A201 VanDerWaalsContact SD-CB 3.55Å; M193-R277 HydrophobicContact CE-CB 4.25Å
194R67.4Low86Confident240 Ų24049.4 Ų49.491%0.90627%0.269SS*.THydrogen-bonded Turntrans-69.8106.2173.2-73.7-176175.2170.7-0.9108.4
195G57.7Low86.1Confident70 Ų7049.2 Ų49.272%0.72227%0.268SS*.THydrogen-bonded Turntrans143.2-15.9172.600000116.4M193M193-G195 PolarHBondContact O-N 3Å; M193-G195 VanDerWaalsContact O-N 3.1Å
196G61.7Low86.1Confident32 Ų3247.7 Ų47.733%0.3327%0.265SS..  trans-142.7150.3-178.400000113.2Y198G196-Y198 VanDerWaalsContact C-N 3.28Å; G196-Y198 PolarHBondContact O-N 3.12Å
197V62.8Low86.1Confident128 Ų12847.7 Ų47.778%0.77627%0.265SS*.SBendtrans-68.4-27.4-177.8-1780000112.2
198Y69.4Low86.1Confident159 Ų15946.9 Ų46.962%0.62426%0.262SS*.SBendtrans-126.92.2-175.6-55.5-71.6000114.2G196 L312G196-Y198 VanDerWaalsContact C-N 3.28Å; G196-Y198 PolarHBondContact O-N 3.12Å; Y198-L312 HydrophobicContact CG-CD2 4.26Å
199A79.4Confident86.1Confident5 Ų546.9 Ų46.94%0.04126%0.262CS..  trans-74.6126.1179.800000109.6P192 M193 A360P192-A199 WeakPolarHBondContact CA-O 3.11Å; M193-A199 HydrophobicContact CB-CB 4.1Å; M193-A199 PolarHBondContact N-O 2.97Å; A199-A360 HydrophobicContact CB-CB 4.23Å
200T87Confident86Confident7 Ų747.5 Ų47.54%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-138135.9-179.661.40000109D157 P158 A171 A191D157-T200 VanDerWaalsContact CA-O 3.25Å; D157-T200 WeakPolarHBondContact CA-O 3.03Å; D157-T200 VanDerWaalsContact OD1-C 3.3Å; D157-T200 PolarHBondContact OD1-N 3.37Å; P158-T200 WeakPolarHBondContact CD-O 3.34Å; P158-T200 WeakPolarHBondContact CD-OG1 3.4Å; A171-T200 VanDerWaalsContact O-CG2 3.29Å; A171-T200 WeakPolarHBondContact O-CG2 3.38Å; A171-T200 PolarHBondContact O-OG1 2.94Å; A191-T200 CarbonylContact O-C 3.6Å; A191-T200 VanDerWaalsContact O-CA 3.25Å; A191-T200 WeakPolarHBondContact O-CA 3.42Å
201A90.8Very high85.7Confident2 Ų253 Ų532%0.01729%0.29CS..EExtended strand (participates in β ladder)trans-110.2149.6176.100000110.6S190 A191 M193 I203S190-A201 CarbonylContact C-O 3.54Å; S190-A201 WeakPolarHBondContact CA-O 3.03Å; S190-A201 WeakPolarHBondContact CB-O 3.36Å; A191-A201 PolarHBondContact N-O 2.61Å; A191-A201 PolarHBondContact O-N 2.83Å; M193-A201 HydrophobicContact CE-CB 4.45Å; M193-A201 HydrophobicContact CG-CB 3.64Å; M193-A201 HydrophobicContact SD-CB 3.55Å; M193-A201 VanDerWaalsContact SD-CB 3.55Å; A201-I203 PolarHBondContact O-N 2.7Å
202L95Very high85.4Confident5 Ų553.6 Ų53.63%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-70125.6168-67.1-176.8000109.4V154 A188 I205 S278 L279V154-L202 HydrophobicContact CB-CD1 4.38Å; V154-L202 HydrophobicContact CG1-CD1 3.77Å; A188-L202 HydrophobicContact CB-CD1 4.34Å; A188-L202 HydrophobicContact CB-CD2 3.7Å; L202-I205 HydrophobicContact CD1-CD1 4.5Å; L202-S278 PolarHBondContact N-OG 2.84Å; L202-S278 CarbonylContact O-C 3.51Å; L202-S278 WeakPolarHBondContact O-CA 3.41Å; L202-L279 HydrophobicContact CB-CB 4.05Å; L202-L279 WeakPolarHBondContact CB-O 3.3Å; L202-L279 PolarHBondContact O-N 3.33Å
203I95.8Very high84.8Confident52 Ų5254.3 Ų54.327%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-113.8-21-177.960.1159.7000113.4T189 A191 A201 E224 L225 L279T189-I203 HydrophobicContact CG2-CD1 4.44Å; T189-I203 HydrophobicContact CG2-CG1 4.34Å; T189-I203 VanDerWaalsContact O-CG1 3.29Å; T189-I203 WeakPolarHBondContact O-CG1 3.34Å; T189-I203 PolarHBondContact O-N 3.39Å; A191-I203 HydrophobicContact CB-CD1 3.74Å; A191-I203 HydrophobicContact CB-CG1 4.15Å; A191-I203 HydrophobicContact CB-CG2 3.89Å; A201-I203 PolarHBondContact O-N 2.7Å; I203-E224 WeakPolarHBondContact O-CA 3.43Å; I203-L225 HydrophobicContact CB-CD1 4.18Å; I203-L225 HydrophobicContact CB-CG 4.28Å; I203-L225 HydrophobicContact CG2-CD1 3.8Å; I203-L225 HydrophobicContact CG2-CG 4.37Å; I203-L225 PolarHBondContact O-N 2.83Å; I203-L279 WeakPolarHBondContact O-CD1 3.33Å
204T98.1Very high84.7Confident23 Ų2358.7 Ų58.714%0.14130%0.299CS..EExtended strand (participates in β ladder)trans-144.6136.6179.5-500000109.3A188 T189 Q222 A223 E224A188-T204 CarbonylContact C-O 3.58Å; A188-T204 WeakPolarHBondContact CA-O 2.89Å; T189-T204 PolarHBondContact N-O 3.01Å; T189-T204 PolarHBondContact O-N 3.01Å; T204-Q222 HydrophobicContact CG2-CG 4.4Å; T204-A223 WeakPolarHBondContact CA-O 3.36Å; T204-E224 HydrophobicContact CG2-CG 3.97Å
205I98.6Very high85.5Confident0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-125.1127170.9-67.6167.2000107.8A188 L202 I207 Q222 A223 V272 L279 L281A188-I205 HydrophobicContact CB-CG1 4.3Å; L202-I205 HydrophobicContact CD1-CD1 4.5Å; I205-I207 HydrophobicContact CG2-CD1 4.22Å; I205-I207 HydrophobicContact CG2-CG1 3.97Å; I205-Q222 WeakPolarHBondContact O-CA 3.48Å; I205-A223 PolarHBondContact N-O 2.8Å; I205-A223 PolarHBondContact O-N 3.18Å; I205-V272 HydrophobicContact CD1-CG1 3.91Å; I205-V272 HydrophobicContact CG2-CG2 4.21Å; I205-L279 HydrophobicContact CB-CD1 4.49Å; I205-L279 HydrophobicContact CD1-CB 3.71Å; I205-L279 HydrophobicContact CD1-CD1 4.25Å; I205-L279 HydrophobicContact CG1-CB 4.29Å; I205-L279 HydrophobicContact CG1-CD1 4.13Å; I205-L281 HydrophobicContact CD1-CB 4.11Å
206T98.7Very high86.9Confident25 Ų2544.3 Ų44.315%0.15322%0.223CC..EExtended strand (participates in β ladder)trans-120.7126.5175.1-53.20000108.9V186 Q187 I208 I220 Y221V186-T206 WeakPolarHBondContact CA-O 3.47Å; Q187-T206 PolarHBondContact N-O 3.04Å; Q187-T206 PolarHBondContact O-N 3.04Å; T206-I208 HydrophobicContact CG2-CG1 4.36Å; T206-I220 HydrophobicContact CG2-CG2 4.18Å; T206-Y221 WeakPolarHBondContact CA-O 3.47Å
207I98.8Very high88.2Confident0 Ų048.1 Ų48.10%023%0.232CC..EExtended strand (participates in β ladder)trans-120.8123.3-180-55.5166.4000107.5L184 Y185 V186 I205 F209 I220 Y221 I261 L270 V272 L281L184-I207 HydrophobicContact CD1-CG2 3.59Å; L184-I207 HydrophobicContact CG-CG2 4.42Å; Y185-I207 CarbonylContact O-C 3.54Å; Y185-I207 WeakPolarHBondContact O-CA 3.4Å; V186-I207 HydrophobicContact CG1-CG1 4.19Å; V186-I207 HydrophobicContact CG2-CG1 4.28Å; V186-I207 HydrophobicContact CG2-CG2 4.18Å; I205-I207 HydrophobicContact CG2-CD1 4.22Å; I205-I207 HydrophobicContact CG2-CG1 3.97Å; I207-F209 HydrophobicContact CB-CE2 4.37Å; I207-F209 HydrophobicContact CG2-CD2 4.18Å; I207-F209 HydrophobicContact CG2-CE1 4.21Å; I207-F209 HydrophobicContact CG2-CE2 3.57Å; I207-F209 HydrophobicContact CG2-CZ 3.57Å; I207-I220 CarbonylContact O-C 3.55Å; I207-I220 WeakPolarHBondContact O-CA 3.42Å; I207-Y221 HydrophobicContact CD1-CD1 3.89Å; I207-Y221 HydrophobicContact CG1-CD1 4.43Å; I207-Y221 PolarHBondContact N-O 3.22Å; I207-Y221 PolarHBondContact O-N 3.14Å; I207-I261 HydrophobicContact CD1-CD1 3.74Å; I207-L270 HydrophobicContact CD1-CB 4.47Å; I207-L270 HydrophobicContact CD1-CD2 4.02Å; I207-L270 HydrophobicContact CG2-CD2 4.31Å; I207-V272 HydrophobicContact CD1-CG2 3.94Å; I207-L281 HydrophobicContact CD1-CD1 4.28Å
208I98.3Very high89.6Confident40 Ų4047.6 Ų47.621%0.20522%0.222CC..EExtended strand (participates in β ladder)trans-114.1108.7177.4-52.7178.4000107.9Y185 T206 K210 Q218 I220Y185-I208 HydrophobicContact CD1-CD1 3.87Å; Y185-I208 HydrophobicContact CD1-CG1 4.29Å; Y185-I208 PolarHBondContact N-O 3.25Å; Y185-I208 PolarHBondContact O-N 3.37Å; T206-I208 HydrophobicContact CG2-CG1 4.36Å; I208-K210 PolarHBondContact O-N 3.45Å; I208-Q218 HydrophobicContact CG2-CG 3.88Å; I208-I220 HydrophobicContact CG1-CG1 4.42Å; I208-I220 HydrophobicContact CG2-CG1 4.44Å
209F97.4Very high90.9Very high0 Ų041.2 Ų41.20%020%0.197CC..EExtended strand (participates in β ladder)trans-78.1112.4169-60.4-84.7000107.8L184 I207 I216 Q218 Q219 F232 L248 I261 A263 L270L184-F209 HydrophobicContact CD1-CD1 3.49Å; L184-F209 VanDerWaalsContact CD1-CD1 3.49Å; L184-F209 HydrophobicContact CD1-CE1 3.59Å; L184-F209 HydrophobicContact CD1-CG 4.05Å; L184-F209 HydrophobicContact CD1-CZ 4.25Å; I207-F209 HydrophobicContact CB-CE2 4.37Å; I207-F209 HydrophobicContact CG2-CD2 4.18Å; I207-F209 HydrophobicContact CG2-CE1 4.21Å; I207-F209 HydrophobicContact CG2-CE2 3.57Å; I207-F209 HydrophobicContact CG2-CZ 3.57Å; F209-I216 HydrophobicContact CB-CD1 3.77Å; F209-Q218 VanDerWaalsContact O-CA 3.26Å; F209-Q218 WeakPolarHBondContact O-CA 3.29Å; F209-Q218 WeakPolarHBondContact O-CG 3.45Å; F209-Q219 HydrophobicContact CB-CB 4.24Å; F209-Q219 HydrophobicContact CD2-CB 4.24Å; F209-Q219 PolarHBondContact N-O 3.33Å; F209-Q219 PolarHBondContact O-N 3.25Å; F209-Q219 VanDerWaalsContact O-N 3.11Å; F209-F232 HydrophobicContact CD2-CE1 4.39Å; F209-F232 HydrophobicContact CE2-CE1 4.02Å; F209-L248 HydrophobicContact CB-CD2 4.13Å; F209-L248 HydrophobicContact CD1-CD1 3.92Å; F209-L248 HydrophobicContact CD1-CD2 4.33Å; F209-L248 HydrophobicContact CD2-CD1 4.21Å; F209-L248 HydrophobicContact CD2-CD2 3.78Å; F209-L248 HydrophobicContact CE1-CD1 3.76Å; F209-L248 HydrophobicContact CE2-CD1 4.05Å; F209-L248 HydrophobicContact CE2-CD2 4.32Å; F209-L248 HydrophobicContact CG-CD1 4.16Å; F209-L248 HydrophobicContact CG-CD2 3.79Å; F209-L248 HydrophobicContact CZ-CD1 3.83Å; F209-I261 HydrophobicContact CE1-CG2 4.35Å; F209-I261 HydrophobicContact CE2-CG2 3.9Å; F209-I261 HydrophobicContact CZ-CB 4.42Å; F209-I261 HydrophobicContact CZ-CG2 3.43Å; F209-I261 VanDerWaalsContact CZ-CG2 3.43Å; F209-A263 HydrophobicContact CD1-CB 4.03Å; F209-A263 HydrophobicContact CE1-CB 3.69Å; F209-L270 HydrophobicContact CE1-CD1 3.9Å; F209-L270 HydrophobicContact CZ-CD1 3.93Å
210K94.4Very high91.7Very high51 Ų5143.9 Ų43.922%0.22221%0.21CC..  trans-71.3154.9-179.2-59.5178.7-178.4177.80109.1D180 N181 Y183 I208 W212 I216D180-K210 IonicContact OD1-NZ 3.57Å; D180-K210 PolarHBondContact OD1-NZ 3.32Å; N181-K210 WeakPolarHBondContact O-CE 3.26Å; N181-K210 PolarHBondContact O-NZ 2.86Å; Y183-K210 WeakPolarHBondContact O-CB 3.31Å; Y183-K210 PolarHBondContact O-N 2.63Å; I208-K210 PolarHBondContact O-N 3.45Å; K210-W212 PolarHBondContact O-N 2.86Å; K210-I216 WeakPolarHBondContact O-CD1 3.31Å
211N89.7Confident92.3Very high122 Ų12243.5 Ų43.565%0.65221%0.208SC*.  trans-58.5141.5177.167.325000110.5
212W84.3Confident92.6Very high38 Ų3846.8 Ų46.814%0.14422%0.223CC..BIsolated β-bridgetrans-147.3119.3-178.4-17080.2000112.1Y183 K210 Q214 C215 I216 H265Y183-W212 AromaticContact CD1-CD1 3.49Å; Y183-W212 VanDerWaalsContact CD1-CD1 3.49Å; Y183-W212 HydrophobicContact CD1-CG 4.44Å; Y183-W212 AromaticContact CD1-NE1 3.68Å; Y183-W212 AromaticContact CE1-CD1 3.5Å; Y183-W212 VanDerWaalsContact CE1-CD1 3.5Å; Y183-W212 AromaticContact CE1-NE1 3.27Å; Y183-W212 VanDerWaalsContact CE1-NE1 3.27Å; K210-W212 PolarHBondContact O-N 2.86Å; W212-Q214 PolarHBondContact O-N 3.24Å; W212-C215 HydrophobicContact CE3-CB 3.79Å; W212-C215 VanDerWaalsContact CE3-SG 3.56Å; W212-C215 HydrophobicContact CZ3-CB 4.12Å; W212-C215 WeakPolarHBondContact CZ3-SG 3.32Å; W212-C215 PolarHBondContact O-N 2.97Å; W212-I216 HydrophobicContact CB-CG1 4.4Å; W212-I216 PolarHBondContact N-O 2.04Å; W212-I216 PolarHBondContact O-N 2.69Å; W212-H265 HydrophobicContact CE3-CB 3.79Å; W212-H265 HydrophobicContact CZ3-CB 3.9Å
213R74.4Confident92.8Very high99 Ų9946.5 Ų46.537%0.37422%0.222SC..THydrogen-bonded Turntrans38.240167.7-45.5-154.1170.1-160.5-4.3117.3I128 C215I128-R213 HydrophobicContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CD 3.42Å; I128-R213 HydrophobicContact CD1-CG 4.08Å; R213-C215 PolarHBondContact O-N 3.26Å; R213-C215 VanDerWaalsContact O-N 3.12Å
214Q79.7Confident92.9Very high135 Ų13548.1 Ų48.163%0.63123%0.228SC*.THydrogen-bonded Turntrans62.27.3-175.4-50.7175.4-24.300115W212 R242W212-Q214 PolarHBondContact O-N 3.24Å; Q214-R242 WeakPolarHBondContact O-CD 3.27Å
215C82.9Confident92.6Very high1 Ų149 Ų491%0.00723%0.232CC..THydrogen-bonded Turntrans-82.8-36.3176.6-590000112.2C133 W212 R213 S247 H265C133-C215 WeakPolarHBondContact CA-SG 3.43Å; C133-C215 HydrophobicContact CB-CB 3.67Å; C133-C215 WeakPolarHBondContact CB-SG 3.46Å; C133-C215 VanDerWaalsContact SG-CA 3.51Å; C133-C215 WeakPolarHBondContact SG-CB 3.35Å; C133-C215 CovalentContact SG-SG 2.04Å; C133-C215 PolarHBondContact SG-SG 3.42Å; W212-C215 HydrophobicContact CE3-CB 3.79Å; W212-C215 VanDerWaalsContact CE3-SG 3.56Å; W212-C215 HydrophobicContact CZ3-CB 4.12Å; W212-C215 WeakPolarHBondContact CZ3-SG 3.32Å; W212-C215 PolarHBondContact O-N 2.97Å; R213-C215 PolarHBondContact O-N 3.26Å; R213-C215 VanDerWaalsContact O-N 3.12Å; C215-S247 PolarHBondContact O-OG 2.87Å; C215-H265 HydrophobicContact CB-CB 4.15Å
216I88.6Confident92.4Very high6 Ų655.5 Ų55.53%0.03127%0.266CS..BIsolated β-bridgetrans-139.8149.1172.664.2158.2000111.1F209 K210 W212 S247 L248 H265F209-I216 HydrophobicContact CB-CD1 3.77Å; K210-I216 WeakPolarHBondContact O-CD1 3.31Å; W212-I216 HydrophobicContact CB-CG1 4.4Å; W212-I216 PolarHBondContact N-O 2.04Å; W212-I216 PolarHBondContact O-N 2.69Å; I216-S247 WeakPolarHBondContact CG2-OG 3.08Å; I216-L248 HydrophobicContact CD1-CD2 4.45Å; I216-L248 HydrophobicContact CG2-CB 4.05Å; I216-H265 VanDerWaalsContact CD1-CE1 3.43Å; I216-H265 WeakPolarHBondContact CD1-CE1 3.37Å; I216-H265 VanDerWaalsContact CD1-NE2 3.25Å; I216-H265 WeakPolarHBondContact CD1-NE2 3.41Å
217E88.3Confident92.2Very high112 Ų11258.5 Ų58.552%0.52328%0.282SS..  trans-82.1171.7155.9-61.5-163.5169.800110Q219 R242E217-Q219 PolarHBondContact O-N 3.18Å; E217-R242 VanDerWaalsContact CG-NH2 3.28Å; E217-R242 IonicContact OE1-CZ 3.68Å; E217-R242 IonicContact OE1-NH1 3.47Å; E217-R242 IonicContact OE1-NH2 2.83Å; E217-R242 PolarHBondContact OE1-NH2 3.03Å
218Q92.8Very high92.1Very high118 Ų11858.5 Ų58.555%0.55128%0.282SS*.  trans-63.5122.4179.6-176-177.5-7400109.9I208 F209I208-Q218 HydrophobicContact CG2-CG 3.88Å; F209-Q218 VanDerWaalsContact O-CA 3.26Å; F209-Q218 WeakPolarHBondContact O-CA 3.29Å; F209-Q218 WeakPolarHBondContact O-CG 3.45Å
219Q95.2Very high92.1Very high24 Ų2458.2 Ų58.211%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-115.8143.1177.4-160.265.736.900110.1F209 E217 F232 D234 S236 L248F209-Q219 HydrophobicContact CB-CB 4.24Å; F209-Q219 HydrophobicContact CD2-CB 4.24Å; F209-Q219 PolarHBondContact N-O 3.33Å; F209-Q219 PolarHBondContact O-N 3.25Å; F209-Q219 VanDerWaalsContact O-N 3.11Å; E217-Q219 PolarHBondContact O-N 3.18Å; Q219-F232 HydrophobicContact CG-CB 3.96Å; Q219-F232 HydrophobicContact CG-CD1 3.39Å; Q219-F232 HydrophobicContact CG-CD2 3.75Å; Q219-F232 HydrophobicContact CG-CE1 3.78Å; Q219-F232 HydrophobicContact CG-CE2 4.12Å; Q219-F232 HydrophobicContact CG-CG 3.4Å; Q219-F232 HydrophobicContact CG-CZ 4.16Å; Q219-D234 PolarHBondContact NE2-OD1 2.82Å; Q219-D234 PolarHBondContact NE2-OD2 3.08Å; Q219-S236 PolarHBondContact NE2-OG 3.35Å; Q219-L248 HydrophobicContact CB-CD2 3.54Å; Q219-L248 HydrophobicContact CG-CD2 3.83Å
220I97.6Very high92Very high61 Ų6160.1 Ų60.131%0.31330%0.298SS..EExtended strand (participates in β ladder)trans-118.1135.7177.9-54.1176000108.6T206 I207 I208 F232 V233T206-I220 HydrophobicContact CG2-CG2 4.18Å; I207-I220 CarbonylContact O-C 3.55Å; I207-I220 WeakPolarHBondContact O-CA 3.42Å; I208-I220 HydrophobicContact CG1-CG1 4.42Å; I208-I220 HydrophobicContact CG2-CG1 4.44Å; I220-F232 WeakPolarHBondContact O-CB 3.44Å; I220-F232 WeakPolarHBondContact O-CD1 3.11Å; I220-V233 HydrophobicContact CB-CG2 3.76Å; I220-V233 HydrophobicContact CG2-CG2 3.59Å; I220-V233 VanDerWaalsContact O-CG2 3.3Å; I220-V233 WeakPolarHBondContact O-CG2 3.3Å; I220-V233 PolarHBondContact O-N 2.99Å; I220-V233 VanDerWaalsContact O-N 3.13Å
221Y98.6Very high92.1Very high0 Ų058.8 Ų58.80%030%0.297CS..EExtended strand (participates in β ladder)trans-118.7138.4166.6177.8-89.7000108.8T206 I207 A223 V228 P229 A231 F232 V250 A259 I261 V272T206-Y221 WeakPolarHBondContact CA-O 3.47Å; I207-Y221 HydrophobicContact CD1-CD1 3.89Å; I207-Y221 HydrophobicContact CG1-CD1 4.43Å; I207-Y221 PolarHBondContact N-O 3.22Å; I207-Y221 PolarHBondContact O-N 3.14Å; Y221-A223 HydrophobicContact CE1-CB 3.79Å; Y221-V228 WeakPolarHBondContact OH-CG1 3.39Å; Y221-P229 HydrophobicContact CE2-CG 4.01Å; Y221-P229 WeakPolarHBondContact CE2-O 3.31Å; Y221-P229 PolarHBondContact OH-O 3.27Å; Y221-A231 WeakPolarHBondContact CD2-O 3.32Å; Y221-F232 HydrophobicContact CD2-CD1 4.4Å; Y221-V250 HydrophobicContact CE2-CG2 4.19Å; Y221-A259 HydrophobicContact CE2-CB 4.18Å; Y221-A259 WeakPolarHBondContact OH-CB 3.26Å; Y221-I261 HydrophobicContact CD1-CD1 3.55Å; Y221-I261 HydrophobicContact CD2-CD1 3.73Å; Y221-I261 HydrophobicContact CD2-CG1 4.36Å; Y221-I261 HydrophobicContact CE1-CD1 3.89Å; Y221-I261 HydrophobicContact CE2-CD1 4.05Å; Y221-I261 HydrophobicContact CG-CD1 3.47Å; Y221-I261 VanDerWaalsContact CG-CD1 3.47Å; Y221-V272 HydrophobicContact CE1-CB 4.3Å; Y221-V272 HydrophobicContact CE1-CG2 3.95Å
222Q98.5Very high92.5Very high70 Ų7053.3 Ų53.333%0.32727%0.267SS..EExtended strand (participates in β ladder)trans-139131.3176.7-179.3170.5-14.300109.6T204 I205 E224 P229 V233T204-Q222 HydrophobicContact CG2-CG 4.4Å; I205-Q222 WeakPolarHBondContact O-CA 3.48Å; Q222-E224 PolarHBondContact NE2-OE1 3.07Å; Q222-P229 WeakPolarHBondContact O-CD 3.24Å; Q222-P229 VanDerWaalsContact O-CG 3.27Å; Q222-P229 WeakPolarHBondContact O-CG 3.47Å; Q222-V233 HydrophobicContact CB-CG2 4.29Å
223A98.3Very high93Very high0 Ų055.9 Ų55.90%029%0.286CS..EExtended strand (participates in β ladder)trans-123.7143.5172.100000109.7T204 I205 Y221 V228 V272 L279T204-A223 WeakPolarHBondContact CA-O 3.36Å; I205-A223 PolarHBondContact N-O 2.8Å; I205-A223 PolarHBondContact O-N 3.18Å; Y221-A223 HydrophobicContact CE1-CB 3.79Å; A223-V228 HydrophobicContact CB-CG1 4.36Å; A223-V228 HydrophobicContact CB-CG2 4.43Å; A223-V272 HydrophobicContact CB-CG1 3.78Å; A223-L279 HydrophobicContact CB-CD1 4.43Å
224E97.1Very high93.9Very high85 Ų8556.1 Ų56.140%0.39730%0.295SS..EExtended strand (participates in β ladder)trans-129.4166.2176.2-70.3177.5-171.200108.9I203 T204 Q222 D226 N227I203-E224 WeakPolarHBondContact O-CA 3.43Å; T204-E224 HydrophobicContact CG2-CG 3.97Å; Q222-E224 PolarHBondContact NE2-OE1 3.07Å; E224-D226 PolarHBondContact O-N 2.77Å; E224-N227 PolarHBondContact N-O 3.45Å; E224-N227 CarbonylContact O-C 3.23Å; E224-N227 VanDerWaalsContact O-C 3.23Å; E224-N227 PolarHBondContact O-N 3.12Å
225L93.5Very high94.5Very high43 Ų4352.3 Ų52.323%0.22529%0.292CS..THydrogen-bonded Turntrans-54.9137.1170.6-69179.5000110.7I203 N227 Q274 L279I203-L225 HydrophobicContact CB-CD1 4.18Å; I203-L225 HydrophobicContact CB-CG 4.28Å; I203-L225 HydrophobicContact CG2-CD1 3.8Å; I203-L225 HydrophobicContact CG2-CG 4.37Å; I203-L225 PolarHBondContact O-N 2.83Å; L225-N227 PolarHBondContact O-N 2.8Å; L225-Q274 HydrophobicContact CD2-CG 4.46Å; L225-L279 HydrophobicContact CD2-CD2 4.23Å; L225-L279 HydrophobicContact CD2-CG 4.11Å
226D92.6Very high95Very high136 Ų13653.8 Ų53.873%0.72730%0.302SS*.THydrogen-bonded Turntrans63.99.9-176.9-48.8-44.3000114.2E224 Q274E224-D226 PolarHBondContact O-N 2.77Å; D226-Q274 PolarHBondContact OD1-NE2 2.95Å
227N95.1Very high95.3Very high88 Ų8857.1 Ų57.147%0.47132%0.323SS..BIsolated β-bridgetrans-148.483.6178.5-175.533.8000111.6E224 L225 P229E224-N227 PolarHBondContact N-O 3.45Å; E224-N227 CarbonylContact O-C 3.23Å; E224-N227 VanDerWaalsContact O-C 3.23Å; E224-N227 PolarHBondContact O-N 3.12Å; L225-N227 PolarHBondContact O-N 2.8Å; N227-P229 WeakPolarHBondContact O-CD 3.29Å
228V97.8Very high95.5Very high0 Ų054.1 Ų54.10%031%0.312CS..BIsolated β-bridgetrans-100.192.1166.7-172.80000108.8Y221 A223 G256 A259 V272 Q274 L279Y221-V228 WeakPolarHBondContact OH-CG1 3.39Å; A223-V228 HydrophobicContact CB-CG1 4.36Å; A223-V228 HydrophobicContact CB-CG2 4.43Å; V228-G256 WeakPolarHBondContact CB-O 3.33Å; V228-G256 PolarHBondContact N-O 3.03Å; V228-G256 VanDerWaalsContact N-O 3.12Å; V228-G256 VanDerWaalsContact O-CA 3.27Å; V228-G256 WeakPolarHBondContact O-CA 3.27Å; V228-G256 PolarHBondContact O-N 2.9Å; V228-A259 HydrophobicContact CG1-CB 3.91Å; V228-V272 HydrophobicContact CG1-CB 4.34Å; V228-V272 HydrophobicContact CG1-CG1 4.04Å; V228-Q274 HydrophobicContact CG2-CB 3.97Å; V228-L279 HydrophobicContact CG2-CD2 3.97Å
229P97.1Very high95.3Very high34 Ų3448.8 Ų48.822%0.22129%0.288CS..  trans-73.6151-172.829.4-35.7000111.9Y221 Q222 N227 A231 A259Y221-P229 HydrophobicContact CE2-CG 4.01Å; Y221-P229 WeakPolarHBondContact CE2-O 3.31Å; Y221-P229 PolarHBondContact OH-O 3.27Å; Q222-P229 WeakPolarHBondContact O-CD 3.24Å; Q222-P229 VanDerWaalsContact O-CG 3.27Å; Q222-P229 WeakPolarHBondContact O-CG 3.47Å; N227-P229 WeakPolarHBondContact O-CD 3.29Å; P229-A231 PolarHBondContact O-N 2.97Å; P229-A259 WeakPolarHBondContact O-CB 3.39Å
230A96.2Very high94.6Very high40 Ų4053.3 Ų53.333%0.33131%0.309SS..SBendtrans-91.429.3169.600000111.9V237 V250A230-V237 WeakPolarHBondContact O-CG1 3.4Å; A230-V250 WeakPolarHBondContact O-CG1 3.48Å
231A96.8Very high93.8Very high23 Ų2356.4 Ų56.419%0.1932%0.322CS..SBendtrans-149.5159.6-176.200000110Y221 P229 S236 V237Y221-A231 WeakPolarHBondContact CD2-O 3.32Å; P229-A231 PolarHBondContact O-N 2.97Å; A231-S236 CarbonylContact C-O 3.58Å; A231-S236 WeakPolarHBondContact CA-O 3.36Å; A231-V237 HydrophobicContact CB-CG1 4.29Å
232F97.1Very high92.6Very high7 Ų759.4 Ų59.43%0.03133%0.334CS..  trans-75.7170.9168.8-61.2-66.9000111.3F209 Q219 I220 Y221 D234 G235 S236 L248 V250 I261F209-F232 HydrophobicContact CD2-CE1 4.39Å; F209-F232 HydrophobicContact CE2-CE1 4.02Å; Q219-F232 HydrophobicContact CG-CB 3.96Å; Q219-F232 HydrophobicContact CG-CD1 3.39Å; Q219-F232 HydrophobicContact CG-CD2 3.75Å; Q219-F232 HydrophobicContact CG-CE1 3.78Å; Q219-F232 HydrophobicContact CG-CE2 4.12Å; Q219-F232 HydrophobicContact CG-CG 3.4Å; Q219-F232 HydrophobicContact CG-CZ 4.16Å; I220-F232 WeakPolarHBondContact O-CB 3.44Å; I220-F232 WeakPolarHBondContact O-CD1 3.11Å; Y221-F232 HydrophobicContact CD2-CD1 4.4Å; F232-D234 WeakPolarHBondContact CB-OD1 3.38Å; F232-D234 PolarHBondContact O-N 3.07Å; F232-D234 VanDerWaalsContact O-N 3.17Å; F232-G235 WeakPolarHBondContact O-CA 3.47Å; F232-G235 PolarHBondContact O-N 3.33Å; F232-S236 WeakPolarHBondContact CD2-O 3.24Å; F232-S236 WeakPolarHBondContact CD2-OG 3.34Å; F232-S236 PolarHBondContact N-O 3.46Å; F232-L248 HydrophobicContact CE1-CD1 4.46Å; F232-L248 HydrophobicContact CE1-CD2 4.02Å; F232-L248 HydrophobicContact CE1-CG 4.23Å; F232-L248 HydrophobicContact CE2-CD2 4.36Å; F232-L248 HydrophobicContact CE2-CG 4.23Å; F232-L248 HydrophobicContact CZ-CD1 4.02Å; F232-L248 HydrophobicContact CZ-CD2 3.73Å; F232-L248 HydrophobicContact CZ-CG 3.55Å; F232-V250 HydrophobicContact CD2-CG1 4.21Å; F232-V250 HydrophobicContact CE2-CB 4.5Å; F232-V250 HydrophobicContact CE2-CG1 3.91Å; F232-V250 HydrophobicContact CZ-CB 4.21Å; F232-V250 HydrophobicContact CZ-CG1 4.1Å; F232-I261 HydrophobicContact CE1-CG2 4.21Å; F232-I261 HydrophobicContact CZ-CG2 4.3Å
233V95.6Very high91.2Very high91 Ų9160.4 Ų60.455%0.55234%0.338SS*.THydrogen-bonded Turntrans-64-24-175.1-153.90000112.9I220 Q222 G235I220-V233 HydrophobicContact CB-CG2 3.76Å; I220-V233 HydrophobicContact CG2-CG2 3.59Å; I220-V233 VanDerWaalsContact O-CG2 3.3Å; I220-V233 WeakPolarHBondContact O-CG2 3.3Å; I220-V233 PolarHBondContact O-N 2.99Å; I220-V233 VanDerWaalsContact O-N 3.13Å; Q222-V233 HydrophobicContact CB-CG2 4.29Å; V233-G235 VanDerWaalsContact C-N 3.27Å
234D92.1Very high89.8Confident104 Ų10462.9 Ų62.956%0.55636%0.364SS*.THydrogen-bonded Turntrans-82.5-0.117464.9-0.8000113.8Q219 F232 S236Q219-D234 PolarHBondContact NE2-OD1 2.82Å; Q219-D234 PolarHBondContact NE2-OD2 3.08Å; F232-D234 WeakPolarHBondContact CB-OD1 3.38Å; F232-D234 PolarHBondContact O-N 3.07Å; F232-D234 VanDerWaalsContact O-N 3.17Å; D234-S236 VanDerWaalsContact C-N 3.32Å; D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 VanDerWaalsContact OD1-CB 3.32Å; D234-S236 WeakPolarHBondContact OD1-CB 3.33Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.09Å; D234-S236 PolarHBondContact OD2-OG 2.94Å
235G93.1Very high88.9Confident55 Ų5561.7 Ų61.757%0.56736%0.358SS*.SBendtrans83.6-0.9-17800000114.8F232 V233F232-G235 WeakPolarHBondContact O-CA 3.47Å; F232-G235 PolarHBondContact O-N 3.33Å; V233-G235 VanDerWaalsContact C-N 3.27Å
236S92.5Very high88.5Confident32 Ų3263.9 Ų63.922%0.22437%0.367CS..  trans-73.8150.1175.667.30000111.4Q219 A231 F232 D234Q219-S236 PolarHBondContact NE2-OG 3.35Å; A231-S236 CarbonylContact C-O 3.58Å; A231-S236 WeakPolarHBondContact CA-O 3.36Å; F232-S236 WeakPolarHBondContact CD2-O 3.24Å; F232-S236 WeakPolarHBondContact CD2-OG 3.34Å; F232-S236 PolarHBondContact N-O 3.46Å; D234-S236 VanDerWaalsContact C-N 3.32Å; D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 VanDerWaalsContact OD1-CB 3.32Å; D234-S236 WeakPolarHBondContact OD1-CB 3.33Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.09Å; D234-S236 PolarHBondContact OD2-OG 2.94Å
237V95.1Very high88.5Confident77 Ų7757.6 Ų57.647%0.46733%0.334SS..SBendtrans-106.6-15.6175.5-62.70000112.5A230 A231 S249 V250A230-V237 WeakPolarHBondContact O-CG1 3.4Å; A231-V237 HydrophobicContact CB-CG1 4.29Å; V237-S249 CarbonylContact O-C 3.58Å; V237-S249 WeakPolarHBondContact O-CA 3.43Å; V237-V250 HydrophobicContact CB-CG1 4.39Å; V237-V250 WeakPolarHBondContact O-CG1 3.16Å; V237-V250 PolarHBondContact O-N 3.33Å
238T93.3Very high88.5Confident49 Ų4953.4 Ų53.430%0.30131%0.311SS..BIsolated β-bridgetrans-138.5150.817852.40000108.5H246 L248T238-H246 HydrophobicContact CG2-CB 4.39Å; T238-L248 CarbonylContact C-O 3.55Å; T238-L248 WeakPolarHBondContact CA-O 3.25Å
239S87.3Confident88.5Confident6 Ų654.3 Ų54.34%0.04232%0.318CS..PPolyproline II helixtrans-58.1163.6167.263.20000110.9E241 H246 S247 L248S239-E241 PolarHBondContact O-N 3.08Å; S239-H246 PolarHBondContact O-ND1 2.8Å; S239-S247 PolarHBondContact OG-N 2.71Å; S239-L248 PolarHBondContact N-O 2.91Å; S239-L248 PolarHBondContact OG-N 3.29Å
240E81.6Confident88.5Confident118 Ų11853 Ų5355%0.55131%0.309SS*.PPolyproline II helixtrans-48.7143.3163.5-62.5-174154.200111R242E240-R242 PolarHBondContact O-N 3.06Å; E240-R242 IonicContact OE2-CZ 2.88Å; E240-R242 IonicContact OE2-NE 3.72Å; E240-R242 PolarHBondContact OE2-NE 2.95Å; E240-R242 IonicContact OE2-NH2 3.23Å; E240-R242 PolarHBondContact OE2-NH2 3.46Å
241E80.8Confident88.5Confident126 Ų12655.4 Ų55.459%0.58931%0.313SS*.PPolyproline II helixtrans-70.5118.7172.6-171.418017700108.5S239 G244S239-E241 PolarHBondContact O-N 3.08Å; E241-G244 VanDerWaalsContact OE1-CA 3.27Å; E241-G244 WeakPolarHBondContact OE1-CA 2.98Å
242R73.4Confident88.4Confident64 Ų6455.7 Ų55.724%0.24231%0.314CS..BIsolated β-bridgetrans-127.3128174.8-64.3-161.1175.5-1710.1109.1Q214 E217 E240 G244 Q245Q214-R242 WeakPolarHBondContact O-CD 3.27Å; E217-R242 VanDerWaalsContact CG-NH2 3.28Å; E217-R242 IonicContact OE1-CZ 3.68Å; E217-R242 IonicContact OE1-NH1 3.47Å; E217-R242 IonicContact OE1-NH2 2.83Å; E217-R242 PolarHBondContact OE1-NH2 3.03Å; E240-R242 PolarHBondContact O-N 3.06Å; E240-R242 IonicContact OE2-CZ 2.88Å; E240-R242 IonicContact OE2-NE 3.72Å; E240-R242 PolarHBondContact OE2-NE 2.95Å; E240-R242 IonicContact OE2-NH2 3.23Å; E240-R242 PolarHBondContact OE2-NH2 3.46Å; R242-G244 PolarHBondContact O-N 3.36Å; R242-Q245 PolarHBondContact N-O 3.42Å; R242-Q245 VanDerWaalsContact N-O 3.17Å; R242-Q245 PolarHBondContact O-N 3.43Å
243Q69.3Low88.2Confident90 Ų9061.5 Ų61.542%0.42135%0.345SS..THydrogen-bonded Turntrans56.633-176.7-51.4-176.3-25.500113.6I128 S129I128-Q243 PolarHBondContact O-NE2 2.69Å; I128-Q243 PolarHBondContact O-OE1 3.31Å; S129-Q243 PolarHBondContact O-OE1 2.88Å
244G68.4Low87.9Confident52 Ų5262 Ų6254%0.53635%0.345SS..THydrogen-bonded Turntrans849.5175.200000115.5E241 R242E241-G244 VanDerWaalsContact OE1-CA 3.27Å; E241-G244 WeakPolarHBondContact OE1-CA 2.98Å; R242-G244 PolarHBondContact O-N 3.36Å
245Q77.7Confident87.7Confident60 Ų6062.3 Ų62.328%0.2835%0.352SS..BIsolated β-bridgetrans-141.2147.4-177.8-69177.956.500111.9I134 R242I134-Q245 VanDerWaalsContact CG1-OE1 3.23Å; R242-Q245 PolarHBondContact N-O 3.42Å; R242-Q245 VanDerWaalsContact N-O 3.17Å; R242-Q245 PolarHBondContact O-N 3.43Å
246H86.2Confident87.6Confident90 Ų9061 Ų6142%0.41734%0.339SS..  trans-92.6117.4167.4-59.2-81000108.8T238 S239T238-H246 HydrophobicContact CG2-CB 4.39Å; S239-H246 PolarHBondContact O-ND1 2.8Å
247S91.9Very high87.7Confident3 Ų363.8 Ų63.82%0.02135%0.351CS..  trans-101.2-2.1-173.471.60000113.8C215 I216 S239 A263 A264 H265C215-S247 PolarHBondContact O-OG 2.87Å; I216-S247 WeakPolarHBondContact CG2-OG 3.08Å; S239-S247 PolarHBondContact OG-N 2.71Å; S247-A263 CarbonylContact O-C 3.53Å; S247-A264 PolarHBondContact O-N 3.32Å; S247-H265 PolarHBondContact O-N 2.87Å; S247-H265 PolarHBondContact O-ND1 3.38Å
248L95.6Very high87.7Confident0 Ų060.6 Ų60.60%033%0.331CS..EExtended strand (participates in β ladder)trans-138.7136.5171.3174.367.7000109F209 I216 Q219 F232 T238 S239 I261 R262 A263F209-L248 HydrophobicContact CB-CD2 4.13Å; F209-L248 HydrophobicContact CD1-CD1 3.92Å; F209-L248 HydrophobicContact CD1-CD2 4.33Å; F209-L248 HydrophobicContact CD2-CD1 4.21Å; F209-L248 HydrophobicContact CD2-CD2 3.78Å; F209-L248 HydrophobicContact CE1-CD1 3.76Å; F209-L248 HydrophobicContact CE2-CD1 4.05Å; F209-L248 HydrophobicContact CE2-CD2 4.32Å; F209-L248 HydrophobicContact CG-CD1 4.16Å; F209-L248 HydrophobicContact CG-CD2 3.79Å; F209-L248 HydrophobicContact CZ-CD1 3.83Å; I216-L248 HydrophobicContact CD1-CD2 4.45Å; I216-L248 HydrophobicContact CG2-CB 4.05Å; Q219-L248 HydrophobicContact CB-CD2 3.54Å; Q219-L248 HydrophobicContact CG-CD2 3.83Å; F232-L248 HydrophobicContact CE1-CD1 4.46Å; F232-L248 HydrophobicContact CE1-CD2 4.02Å; F232-L248 HydrophobicContact CE1-CG 4.23Å; F232-L248 HydrophobicContact CE2-CD2 4.36Å; F232-L248 HydrophobicContact CE2-CG 4.23Å; F232-L248 HydrophobicContact CZ-CD1 4.02Å; F232-L248 HydrophobicContact CZ-CD2 3.73Å; F232-L248 HydrophobicContact CZ-CG 3.55Å; T238-L248 CarbonylContact C-O 3.55Å; T238-L248 WeakPolarHBondContact CA-O 3.25Å; S239-L248 PolarHBondContact N-O 2.91Å; S239-L248 PolarHBondContact OG-N 3.29Å; L248-I261 HydrophobicContact CD1-CG2 3.82Å; L248-R262 CarbonylContact C-O 3.59Å; L248-R262 VanDerWaalsContact CA-O 3.3Å; L248-R262 WeakPolarHBondContact CA-O 3.46Å; L248-A263 HydrophobicContact CD1-CB 3.81Å
249S96.4Very high88Confident19 Ų1958.2 Ų58.213%0.13332%0.316CS..EExtended strand (participates in β ladder)trans-154154.3-178.857.10000111.6V237 H251 I261 R262V237-S249 CarbonylContact O-C 3.58Å; V237-S249 WeakPolarHBondContact O-CA 3.43Å; S249-H251 PolarHBondContact OG-CE1 3.4Å; S249-H251 VanDerWaalsContact OG-CE1 3.27Å; S249-I261 CarbonylContact O-C 3.6Å; S249-I261 WeakPolarHBondContact O-CA 3.29Å; S249-R262 PolarHBondContact N-O 2.96Å; S249-R262 PolarHBondContact O-N 3.43Å
250V97.6Very high88.5Confident7 Ų759.9 Ų59.94%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-125.3135174.854.70000109.8Y221 A230 F232 V237 A259 E260 I261Y221-V250 HydrophobicContact CE2-CG2 4.19Å; A230-V250 WeakPolarHBondContact O-CG1 3.48Å; F232-V250 HydrophobicContact CD2-CG1 4.21Å; F232-V250 HydrophobicContact CE2-CB 4.5Å; F232-V250 HydrophobicContact CE2-CG1 3.91Å; F232-V250 HydrophobicContact CZ-CB 4.21Å; F232-V250 HydrophobicContact CZ-CG1 4.1Å; V237-V250 HydrophobicContact CB-CG1 4.39Å; V237-V250 WeakPolarHBondContact O-CG1 3.16Å; V237-V250 PolarHBondContact O-N 3.33Å; V250-A259 HydrophobicContact CG2-CB 4.08Å; V250-E260 CarbonylContact C-O 3.6Å; V250-E260 WeakPolarHBondContact CA-O 3.48Å; V250-I261 HydrophobicContact CB-CG1 4.2Å; V250-I261 HydrophobicContact CG2-CG1 3.91Å
251H96.4Very high89.3Confident91 Ų9154.2 Ų54.242%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-133.5156.9-178.2-59.679.2000108.9S249 A259 E260S249-H251 PolarHBondContact OG-CE1 3.4Å; S249-H251 VanDerWaalsContact OG-CE1 3.27Å; H251-A259 CarbonylContact O-C 3.6Å; H251-A259 WeakPolarHBondContact O-CA 3.46Å; H251-E260 PolarHBondContact N-O 2.89Å; H251-E260 PolarHBondContact O-N 2.95Å
252S95.8Very high90.1Very high29 Ų2954.2 Ų54.220%0.20329%0.291CS..  trans-148.1121.7178.8178.30000110L254 P255 Q258S252-L254 PolarHBondContact OG-N 2.96Å; S252-L254 PolarHBondContact OG-O 3.18Å; S252-P255 WeakPolarHBondContact OG-CA 3.35Å; S252-Q258 WeakPolarHBondContact CB-O 3.25Å; S252-Q258 PolarHBondContact OG-O 3.16Å
253D91.1Very high91.2Very high128 Ų12851.2 Ų51.268%0.68428%0.28SS*.SBendtrans-83.6-25.6171.6-61.3-34000111.3
254L90.8Very high92.5Very high103 Ų10348.5 Ų48.554%0.53927%0.273SS..SBendtrans-126.685.2178.2-63.3173.6000109.8S252 G256 L257 Q258S252-L254 PolarHBondContact OG-N 2.96Å; S252-L254 PolarHBondContact OG-O 3.18Å; L254-G256 PolarHBondContact O-N 2.84Å; L254-L257 HydrophobicContact CB-CB 4.31Å; L254-L257 PolarHBondContact O-N 3.07Å; L254-Q258 HydrophobicContact CB-CB 4.06Å; L254-Q258 PolarHBondContact O-N 2.87Å
255P87.8Confident93.6Very high109 Ų10946 Ų4671%0.70825%0.248SC*.THydrogen-bonded Turntrans-54.9131.9-175.7-27.535.2000112.6S252 L257S252-P255 WeakPolarHBondContact OG-CA 3.35Å; P255-L257 PolarHBondContact O-N 2.82Å
256G90.2Very high94.5Very high29 Ų2943.2 Ų43.230%0.29924%0.235SC..BIsolated β-bridgetrans82.9-14.2-179.400000114.7V228 L254V228-G256 WeakPolarHBondContact CB-O 3.33Å; V228-G256 PolarHBondContact N-O 3.03Å; V228-G256 VanDerWaalsContact N-O 3.12Å; V228-G256 VanDerWaalsContact O-CA 3.27Å; V228-G256 WeakPolarHBondContact O-CA 3.27Å; V228-G256 PolarHBondContact O-N 2.9Å; L254-G256 PolarHBondContact O-N 2.84Å
257L94.3Very high94.9Very high89 Ų8939.4 Ų39.447%0.46622%0.219SC..THydrogen-bonded Turntrans-117.7-25.1-179.5-65.9174.7000113.7L254 P255 R273 Q274L254-L257 HydrophobicContact CB-CB 4.31Å; L254-L257 PolarHBondContact O-N 3.07Å; P255-L257 PolarHBondContact O-N 2.82Å; L257-R273 CarbonylContact O-C 3.4Å; L257-R273 WeakPolarHBondContact O-CA 3.33Å; L257-Q274 HydrophobicContact CD2-CB 4.28Å; L257-Q274 PolarHBondContact O-N 3.43Å
258Q96.8Very high95.3Very high10 Ų1039.3 Ų39.35%0.04722%0.219CC..EExtended strand (participates in β ladder)trans-140.9143.4-179.1-178.9-167.518.200110.5S252 L254 V271 V272 R273S252-Q258 WeakPolarHBondContact CB-O 3.25Å; S252-Q258 PolarHBondContact OG-O 3.16Å; L254-Q258 HydrophobicContact CB-CB 4.06Å; L254-Q258 PolarHBondContact O-N 2.87Å; Q258-V271 HydrophobicContact CG-CG1 4.34Å; Q258-V272 CarbonylContact C-O 3.55Å; Q258-V272 VanDerWaalsContact CA-O 3.3Å; Q258-V272 WeakPolarHBondContact CA-O 3.46Å; Q258-R273 HydrophobicContact CB-CG 4.09Å; Q258-R273 HydrophobicContact CG-CG 3.75Å
259A98.1Very high95.4Very high0 Ų040.5 Ų40.50%023%0.226CC..EExtended strand (participates in β ladder)trans-137133.8162.300000110.3Y221 V228 P229 V250 H251 V271 V272Y221-A259 HydrophobicContact CE2-CB 4.18Å; Y221-A259 WeakPolarHBondContact OH-CB 3.26Å; V228-A259 HydrophobicContact CG1-CB 3.91Å; P229-A259 WeakPolarHBondContact O-CB 3.39Å; V250-A259 HydrophobicContact CG2-CB 4.08Å; H251-A259 CarbonylContact O-C 3.6Å; H251-A259 WeakPolarHBondContact O-CA 3.46Å; A259-V271 CarbonylContact O-C 3.59Å; A259-V271 WeakPolarHBondContact O-CA 3.3Å; A259-V272 PolarHBondContact N-O 3.07Å; A259-V272 PolarHBondContact O-N 3.36Å
260E98.3Very high95.5Very high40 Ų4039.6 Ų39.619%0.18722%0.22CC..EExtended strand (participates in β ladder)trans-104.8121.1168.7-176.1179.6137.900109.2V250 H251 R262 T269 L270 V271V250-E260 CarbonylContact C-O 3.6Å; V250-E260 WeakPolarHBondContact CA-O 3.48Å; H251-E260 PolarHBondContact N-O 2.89Å; H251-E260 PolarHBondContact O-N 2.95Å; E260-R262 HydrophobicContact CG-CG 4.48Å; E260-R262 IonicContact OE1-CZ 2.9Å; E260-R262 IonicContact OE1-NE 3.46Å; E260-R262 PolarHBondContact OE1-NE 2.84Å; E260-R262 IonicContact OE1-NH2 3.39Å; E260-R262 PolarHBondContact OE1-NH2 3.24Å; E260-T269 HydrophobicContact CG-CG2 3.93Å; E260-L270 CarbonylContact C-O 3.5Å; E260-L270 WeakPolarHBondContact CA-O 3.39Å; E260-V271 HydrophobicContact CB-CG2 4.13Å; E260-V271 HydrophobicContact CG-CG2 3.93Å
261I98.6Very high95.5Very high0 Ų039.5 Ų39.50%022%0.219CC..EExtended strand (participates in β ladder)trans-112.2118.2-178.1-51.9160.4000108.3I207 F209 Y221 F232 L248 S249 V250 T269 L270I207-I261 HydrophobicContact CD1-CD1 3.74Å; F209-I261 HydrophobicContact CE1-CG2 4.35Å; F209-I261 HydrophobicContact CE2-CG2 3.9Å; F209-I261 HydrophobicContact CZ-CB 4.42Å; F209-I261 HydrophobicContact CZ-CG2 3.43Å; F209-I261 VanDerWaalsContact CZ-CG2 3.43Å; Y221-I261 HydrophobicContact CD1-CD1 3.55Å; Y221-I261 HydrophobicContact CD2-CD1 3.73Å; Y221-I261 HydrophobicContact CD2-CG1 4.36Å; Y221-I261 HydrophobicContact CE1-CD1 3.89Å; Y221-I261 HydrophobicContact CE2-CD1 4.05Å; Y221-I261 HydrophobicContact CG-CD1 3.47Å; Y221-I261 VanDerWaalsContact CG-CD1 3.47Å; F232-I261 HydrophobicContact CE1-CG2 4.21Å; F232-I261 HydrophobicContact CZ-CG2 4.3Å; L248-I261 HydrophobicContact CD1-CG2 3.82Å; S249-I261 CarbonylContact O-C 3.6Å; S249-I261 WeakPolarHBondContact O-CA 3.29Å; V250-I261 HydrophobicContact CB-CG1 4.2Å; V250-I261 HydrophobicContact CG2-CG1 3.91Å; I261-T269 CarbonylContact O-C 3.51Å; I261-T269 WeakPolarHBondContact O-CA 3.32Å; I261-L270 HydrophobicContact CB-CB 4.43Å; I261-L270 PolarHBondContact N-O 3.32Å; I261-L270 PolarHBondContact O-N 2.92Å
262R97.9Very high95.7Very high125 Ų12535.1 Ų35.147%0.47220%0.199SC..EExtended strand (participates in β ladder)trans-105.7109.1179.8-65.4-177.4-179.6170.25.5110.1L248 S249 E260 T269L248-R262 CarbonylContact C-O 3.59Å; L248-R262 VanDerWaalsContact CA-O 3.3Å; L248-R262 WeakPolarHBondContact CA-O 3.46Å; S249-R262 PolarHBondContact N-O 2.96Å; S249-R262 PolarHBondContact O-N 3.43Å; E260-R262 HydrophobicContact CG-CG 4.48Å; E260-R262 IonicContact OE1-CZ 2.9Å; E260-R262 IonicContact OE1-NE 3.46Å; E260-R262 PolarHBondContact OE1-NE 2.84Å; E260-R262 IonicContact OE1-NH2 3.39Å; E260-R262 PolarHBondContact OE1-NH2 3.24Å; R262-T269 HydrophobicContact CG-CG2 4.36Å
263A97.1Very high95.7Very high1 Ų136 Ų361%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-99.376.1173.700000109.9F209 S247 L248 H265 I266 G267 T268F209-A263 HydrophobicContact CD1-CB 4.03Å; F209-A263 HydrophobicContact CE1-CB 3.69Å; S247-A263 CarbonylContact O-C 3.53Å; L248-A263 HydrophobicContact CD1-CB 3.81Å; A263-H265 PolarHBondContact O-N 3.27Å; A263-I266 HydrophobicContact CB-CD1 4.09Å; A263-I266 HydrophobicContact CB-CG1 3.74Å; A263-I266 CarbonylContact O-C 3.52Å; A263-I266 PolarHBondContact O-N 2.93Å; A263-I266 VanDerWaalsContact O-N 3.14Å; A263-G267 PolarHBondContact O-N 3.46Å; A263-T268 WeakPolarHBondContact CA-O 3.31Å; A263-T268 PolarHBondContact N-O 3.33Å; A263-T268 PolarHBondContact O-N 3.1Å
264A94.9Very high96Very high33 Ų3331 Ų3127%0.27317%0.17SC..G310 helixtrans-59.9-31.4-175.600000113.4I134 Y135 S247 I266 G267I134-A264 HydrophobicContact CD1-CB 3.78Å; Y135-A264 WeakPolarHBondContact CB-O 3.47Å; Y135-A264 PolarHBondContact N-O 3.17Å; S247-A264 PolarHBondContact O-N 3.32Å; A264-I266 PolarHBondContact O-N 2.04Å; A264-G267 PolarHBondContact O-N 3.29Å
265H93.1Very high96.1Very high1 Ų127 Ų271%0.00515%0.151CC..G310 helixtrans-62.4-24.1177.260.9-77.2000114.4C133 W212 C215 I216 S247 A263C133-H265 WeakPolarHBondContact O-CA 3.09Å; C133-H265 WeakPolarHBondContact O-CB 3.42Å; C133-H265 PolarHBondContact O-N 3.3Å; W212-H265 HydrophobicContact CE3-CB 3.79Å; W212-H265 HydrophobicContact CZ3-CB 3.9Å; C215-H265 HydrophobicContact CB-CB 4.15Å; I216-H265 VanDerWaalsContact CD1-CE1 3.43Å; I216-H265 WeakPolarHBondContact CD1-CE1 3.37Å; I216-H265 VanDerWaalsContact CD1-NE2 3.25Å; I216-H265 WeakPolarHBondContact CD1-NE2 3.41Å; S247-H265 PolarHBondContact O-N 2.87Å; S247-H265 PolarHBondContact O-ND1 3.38Å; A263-H265 PolarHBondContact O-N 3.27Å
266I95.3Very high96.1Very high1 Ų123.9 Ų23.91%0.00514%0.138CC..G310 helixtrans-121.614.9174.856.2166.8000112Y183 A263 A264 T268 P286 I289Y183-I266 HydrophobicContact CD1-CG2 3.89Å; Y183-I266 HydrophobicContact CG-CG2 4.01Å; A263-I266 HydrophobicContact CB-CD1 4.09Å; A263-I266 HydrophobicContact CB-CG1 3.74Å; A263-I266 CarbonylContact O-C 3.52Å; A263-I266 PolarHBondContact O-N 2.93Å; A263-I266 VanDerWaalsContact O-N 3.14Å; A264-I266 PolarHBondContact O-N 2.04Å; I266-T268 PolarHBondContact O-N 3.38Å; I266-T268 PolarHBondContact O-OG1 2.91Å; I266-T268 VanDerWaalsContact O-OG1 3.04Å; I266-P286 WeakPolarHBondContact O-CD 2.98Å; I266-I289 HydrophobicContact CB-CD1 4.35Å; I266-I289 HydrophobicContact CB-CG1 4.44Å; I266-I289 HydrophobicContact CB-CG2 4.18Å; I266-I289 HydrophobicContact CD1-CG2 4.47Å; I266-I289 HydrophobicContact CG2-CD1 4.38Å
267G96.1Very high96.1Very high9 Ų930 Ų309%0.09315%0.152CC..THydrogen-bonded Turntrans57.522.4178.900000114.1Y149 A263 A264 P286Y149-G267 VanDerWaalsContact CE1-O 3.31Å; Y149-G267 WeakPolarHBondContact CE1-O 3.46Å; A263-G267 PolarHBondContact O-N 3.46Å; A264-G267 PolarHBondContact O-N 3.29Å; G267-P286 WeakPolarHBondContact O-CD 3.44Å
268T98.3Very high96Very high1 Ų126.2 Ų26.21%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-105.1137.5-171.1-63.10000110.4A263 I266 L270 V283 R284 S285A263-T268 WeakPolarHBondContact CA-O 3.31Å; A263-T268 PolarHBondContact N-O 3.33Å; A263-T268 PolarHBondContact O-N 3.1Å; I266-T268 PolarHBondContact O-N 3.38Å; I266-T268 PolarHBondContact O-OG1 2.91Å; I266-T268 VanDerWaalsContact O-OG1 3.04Å; T268-L270 HydrophobicContact CG2-CD1 3.81Å; T268-L270 HydrophobicContact CG2-CG 4.25Å; T268-V283 HydrophobicContact CG2-CG1 4.07Å; T268-R284 CarbonylContact C-O 3.6Å; T268-R284 VanDerWaalsContact CA-O 3.29Å; T268-R284 WeakPolarHBondContact CA-O 3.26Å; T268-R284 WeakPolarHBondContact CG2-O 3.34Å; T268-S285 PolarHBondContact OG1-OG 2.76Å
269T98.6Very high96Very high26 Ų2625.8 Ų25.816%0.1613%0.132CC..EExtended strand (participates in β ladder)trans-120.9132.5173-56.70000108.9E260 I261 R262 R284E260-T269 HydrophobicContact CG-CG2 3.93Å; I261-T269 CarbonylContact O-C 3.51Å; I261-T269 WeakPolarHBondContact O-CA 3.32Å; R262-T269 HydrophobicContact CG-CG2 4.36Å; T269-R284 PolarHBondContact N-O 3.17Å; T269-R284 PolarHBondContact O-N 3.05Å
270L98.7Very high96Very high0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-121.1138.4177-56.498.5000108.9L184 V186 I207 F209 E260 I261 T268 L281 S282 V283L184-L270 HydrophobicContact CD2-CD1 4.48Å; L184-L270 HydrophobicContact CD2-CD2 3.94Å; V186-L270 HydrophobicContact CG2-CD2 4.17Å; I207-L270 HydrophobicContact CD1-CB 4.47Å; I207-L270 HydrophobicContact CD1-CD2 4.02Å; I207-L270 HydrophobicContact CG2-CD2 4.31Å; F209-L270 HydrophobicContact CE1-CD1 3.9Å; F209-L270 HydrophobicContact CZ-CD1 3.93Å; E260-L270 CarbonylContact C-O 3.5Å; E260-L270 WeakPolarHBondContact CA-O 3.39Å; I261-L270 HydrophobicContact CB-CB 4.43Å; I261-L270 PolarHBondContact N-O 3.32Å; I261-L270 PolarHBondContact O-N 2.92Å; T268-L270 HydrophobicContact CG2-CD1 3.81Å; T268-L270 HydrophobicContact CG2-CG 4.25Å; L270-L281 HydrophobicContact CB-CD1 4.4Å; L270-L281 HydrophobicContact CD2-CD1 4.33Å; L270-S282 CarbonylContact C-O 3.55Å; L270-S282 WeakPolarHBondContact CA-O 3.4Å; L270-V283 HydrophobicContact CD2-CG1 4.33Å; L270-V283 HydrophobicContact CD2-CG2 3.9Å; L270-V283 HydrophobicContact CG-CG1 4.31Å; L270-V283 HydrophobicContact CG-CG2 4.33Å
271V98.6Very high96Very high4 Ų424.4 Ų24.42%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-120.8120.7171.3171.20000107.7Q258 A259 E260 R273 L281 S282 M380Q258-V271 HydrophobicContact CG-CG1 4.34Å; A259-V271 CarbonylContact O-C 3.59Å; A259-V271 WeakPolarHBondContact O-CA 3.3Å; E260-V271 HydrophobicContact CB-CG2 4.13Å; E260-V271 HydrophobicContact CG-CG2 3.93Å; V271-R273 HydrophobicContact CG1-CG 3.76Å; V271-L281 WeakPolarHBondContact O-CA 3.05Å; V271-S282 PolarHBondContact N-O 3.03Å; V271-S282 PolarHBondContact O-N 3.06Å; V271-M380 HydrophobicContact CB-CE 3.66Å; V271-M380 HydrophobicContact CG2-CE 3.27Å
272V98.6Very high96Very high0 Ų024.6 Ų24.60%013%0.129CC..EExtended strand (participates in β ladder)trans-103.9127.4171.3179.10000107.5I205 I207 Y221 A223 V228 Q258 A259 G280 L281I205-V272 HydrophobicContact CD1-CG1 3.91Å; I205-V272 HydrophobicContact CG2-CG2 4.21Å; I207-V272 HydrophobicContact CD1-CG2 3.94Å; Y221-V272 HydrophobicContact CE1-CB 4.3Å; Y221-V272 HydrophobicContact CE1-CG2 3.95Å; A223-V272 HydrophobicContact CB-CG1 3.78Å; V228-V272 HydrophobicContact CG1-CB 4.34Å; V228-V272 HydrophobicContact CG1-CG1 4.04Å; Q258-V272 CarbonylContact C-O 3.55Å; Q258-V272 VanDerWaalsContact CA-O 3.3Å; Q258-V272 WeakPolarHBondContact CA-O 3.46Å; A259-V272 PolarHBondContact N-O 3.07Å; A259-V272 PolarHBondContact O-N 3.36Å; V272-G280 WeakPolarHBondContact CA-O 3.12Å; V272-L281 HydrophobicContact CG2-CD1 3.73Å
273R97.3Very high96.1Very high46 Ų4618.6 Ų18.617%0.17411%0.106CC..EExtended strand (participates in β ladder)trans-132.4142.3-179.8-79.1172.9172.8-167.9-5.7110.5L257 Q258 V271 L279 G280 A372 E375 D376L257-R273 CarbonylContact O-C 3.4Å; L257-R273 WeakPolarHBondContact O-CA 3.33Å; Q258-R273 HydrophobicContact CB-CG 4.09Å; Q258-R273 HydrophobicContact CG-CG 3.75Å; V271-R273 HydrophobicContact CG1-CG 3.76Å; R273-L279 CarbonylContact O-C 3.52Å; R273-L279 VanDerWaalsContact O-CA 3.31Å; R273-L279 WeakPolarHBondContact O-CA 3.35Å; R273-G280 PolarHBondContact N-O 2.97Å; R273-G280 PolarHBondContact O-N 2.83Å; R273-A372 PolarHBondContact NH1-O 2.04Å; R273-E375 IonicContact NH1-OE2 4Å; R273-D376 IonicContact CZ-OD1 3.18Å; R273-D376 IonicContact NE-OD1 3.91Å; R273-D376 PolarHBondContact NE-OD1 3.34Å; R273-D376 IonicContact NE-OD2 3.38Å; R273-D376 IonicContact NH1-OD1 3.94Å; R273-D376 PolarHBondContact NH1-OD1 3.33Å; R273-D376 IonicContact NH2-OD1 3.71Å; R273-D376 PolarHBondContact NH2-OD1 3.28Å
274Q95.9Very high96.1Very high24 Ų2421.4 Ų21.411%0.11212%0.117CC..EExtended strand (participates in β ladder)trans-94.8128.8163-177.4171.3-30.500109.4L225 D226 V228 L257 G276 S278 L279L225-Q274 HydrophobicContact CD2-CG 4.46Å; D226-Q274 PolarHBondContact OD1-NE2 2.95Å; V228-Q274 HydrophobicContact CG2-CB 3.97Å; L257-Q274 HydrophobicContact CD2-CB 4.28Å; L257-Q274 PolarHBondContact O-N 3.43Å; Q274-G276 PolarHBondContact NE2-O 3.19Å; Q274-G276 VanDerWaalsContact NE2-O 3.09Å; Q274-S278 WeakPolarHBondContact CA-O 3.34Å; Q274-L279 HydrophobicContact CB-CD2 3.88Å; Q274-L279 HydrophobicContact CG-CD2 4.26Å
275S93.8Very high96.3Very high19 Ų1920 Ų2013%0.13311%0.105CC..EExtended strand (participates in β ladder)trans-126.1104.4174.7-65.70000108.6R277 S278S275-R277 PolarHBondContact O-N 2.72Å; S275-R277 VanDerWaalsContact O-N 3.14Å; S275-S278 PolarHBondContact N-O 3.11Å; S275-S278 PolarHBondContact O-N 3.16Å
276G88.7Confident96.5Very high43 Ų4320 Ų2044%0.44311%0.105SC..THydrogen-bonded Turntrans59.8-115.7-17100000111.3Q274Q274-G276 PolarHBondContact NE2-O 3.19Å; Q274-G276 VanDerWaalsContact NE2-O 3.09Å
277R88.6Confident96.6Very high157 Ų15721.5 Ų21.559%0.59212%0.116SC*.THydrogen-bonded Turntrans-107.422.3-178.2-58.6-16970-132.9-6.1113.6M193 S275M193-R277 HydrophobicContact CE-CB 4.25Å; S275-R277 PolarHBondContact O-N 2.72Å; S275-R277 VanDerWaalsContact O-N 3.14Å
278S93.1Very high96.5Very high10 Ų1023.8 Ų23.87%0.0713%0.133CC..EExtended strand (participates in β ladder)trans-129.5147.6173.4-169.50000110.5L202 Q274 S275L202-S278 PolarHBondContact N-OG 2.84Å; L202-S278 CarbonylContact O-C 3.51Å; L202-S278 WeakPolarHBondContact O-CA 3.41Å; Q274-S278 WeakPolarHBondContact CA-O 3.34Å; S275-S278 PolarHBondContact N-O 3.11Å; S275-S278 PolarHBondContact O-N 3.16Å
279L97.3Very high96.3Very high2 Ų224 Ų241%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-83.8160.7161.2-59-179.8000110.3L202 I203 I205 A223 L225 V228 R273 Q274L202-L279 HydrophobicContact CB-CB 4.05Å; L202-L279 WeakPolarHBondContact CB-O 3.3Å; L202-L279 PolarHBondContact O-N 3.33Å; I203-L279 WeakPolarHBondContact O-CD1 3.33Å; I205-L279 HydrophobicContact CB-CD1 4.49Å; I205-L279 HydrophobicContact CD1-CB 3.71Å; I205-L279 HydrophobicContact CD1-CD1 4.25Å; I205-L279 HydrophobicContact CG1-CB 4.29Å; I205-L279 HydrophobicContact CG1-CD1 4.13Å; A223-L279 HydrophobicContact CB-CD1 4.43Å; L225-L279 HydrophobicContact CD2-CD2 4.23Å; L225-L279 HydrophobicContact CD2-CG 4.11Å; V228-L279 HydrophobicContact CG2-CD2 3.97Å; R273-L279 CarbonylContact O-C 3.52Å; R273-L279 VanDerWaalsContact O-CA 3.31Å; R273-L279 WeakPolarHBondContact O-CA 3.35Å; Q274-L279 HydrophobicContact CB-CD2 3.88Å; Q274-L279 HydrophobicContact CG-CD2 4.26Å
280G97.8Very high96.2Very high9 Ų922.9 Ų22.99%0.09313%0.128CC..EExtended strand (participates in β ladder)trans-141.6152.2171.400000110.1V154 V272 R273V154-G280 CarbonylContact O-C 3.53Å; V154-G280 WeakPolarHBondContact O-CA 3.16Å; V272-G280 WeakPolarHBondContact CA-O 3.12Å; R273-G280 PolarHBondContact N-O 2.97Å; R273-G280 PolarHBondContact O-N 2.83Å
281L98.7Very high96Very high2 Ų228.5 Ų28.51%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-128.1130.1177.3-178.374000110G153 V154 L178 V186 I205 I207 L270 V271 V272 V283G153-L281 CarbonylContact C-O 3.57Å; G153-L281 WeakPolarHBondContact CA-O 3.46Å; V154-L281 PolarHBondContact N-O 3.08Å; V154-L281 PolarHBondContact O-N 3.47Å; L178-L281 HydrophobicContact CD1-CB 4.43Å; L178-L281 HydrophobicContact CD1-CD2 3.57Å; V186-L281 HydrophobicContact CG1-CD2 3.59Å; I205-L281 HydrophobicContact CD1-CB 4.11Å; I207-L281 HydrophobicContact CD1-CD1 4.28Å; L270-L281 HydrophobicContact CB-CD1 4.4Å; L270-L281 HydrophobicContact CD2-CD1 4.33Å; V271-L281 WeakPolarHBondContact O-CA 3.05Å; V272-L281 HydrophobicContact CG2-CD1 3.73Å; L281-V283 HydrophobicContact CD1-CG2 4.25Å; L281-V283 HydrophobicContact CD2-CG2 3.68Å; L281-V283 HydrophobicContact CG-CG2 3.75Å
282S98.7Very high95.8Very high3 Ų329.1 Ų29.12%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-120.4131.1169.9-65.50000109.1C152 L270 V271 D376C152-S282 CarbonylContact O-C 3.56Å; L270-S282 CarbonylContact C-O 3.55Å; L270-S282 WeakPolarHBondContact CA-O 3.4Å; V271-S282 PolarHBondContact N-O 3.03Å; V271-S282 PolarHBondContact O-N 3.06Å; S282-D376 WeakPolarHBondContact CB-OD2 3.33Å; S282-D376 WeakPolarHBondContact OG-CB 3.44Å; S282-D376 PolarHBondContact OG-OD2 3.06Å
283V98.8Very high95.4Very high0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-127130.8-176.2-174.10000109.6H151 C152 F163 I179 T268 L270 L281H151-V283 CarbonylContact C-O 3.59Å; H151-V283 VanDerWaalsContact CA-O 3.24Å; H151-V283 WeakPolarHBondContact CA-O 3.49Å; H151-V283 PolarHBondContact ND1-O 3.2Å; H151-V283 VanDerWaalsContact ND1-O 3.07Å; C152-V283 HydrophobicContact CB-CB 4.42Å; C152-V283 PolarHBondContact N-O 3.23Å; C152-V283 PolarHBondContact O-N 3.3Å; F163-V283 HydrophobicContact CE1-CB 4.49Å; F163-V283 HydrophobicContact CE1-CG1 4.33Å; F163-V283 HydrophobicContact CZ-CG1 4.15Å; I179-V283 HydrophobicContact CD1-CB 4.38Å; I179-V283 HydrophobicContact CD1-CG1 3.93Å; I179-V283 HydrophobicContact CD1-CG2 4.04Å; T268-V283 HydrophobicContact CG2-CG1 4.07Å; L270-V283 HydrophobicContact CD2-CG1 4.33Å; L270-V283 HydrophobicContact CD2-CG2 3.9Å; L270-V283 HydrophobicContact CG-CG1 4.31Å; L270-V283 HydrophobicContact CG-CG2 4.33Å; L281-V283 HydrophobicContact CD1-CG2 4.25Å; L281-V283 HydrophobicContact CD2-CG2 3.68Å; L281-V283 HydrophobicContact CG-CG2 3.75Å
284R98.5Very high94.9Very high60 Ų6031.8 Ų31.823%0.22618%0.177CC..EExtended strand (participates in β ladder)trans-114.4120165.8-178.3-176.1167.4-144-8.2108.2Y149 L150 T268 T269 M380Y149-R284 HydrophobicContact CD1-CG 3.76Å; Y149-R284 HydrophobicContact CG-CG 4.24Å; L150-R284 WeakPolarHBondContact O-CA 3.08Å; T268-R284 CarbonylContact C-O 3.6Å; T268-R284 VanDerWaalsContact CA-O 3.29Å; T268-R284 WeakPolarHBondContact CA-O 3.26Å; T268-R284 WeakPolarHBondContact CG2-O 3.34Å; T269-R284 PolarHBondContact N-O 3.17Å; T269-R284 PolarHBondContact O-N 3.05Å; R284-M380 HydrophobicContact CB-CB 3.97Å; R284-M380 HydrophobicContact CB-CG 3.95Å; R284-M380 HydrophobicContact CB-SD 3.91Å; R284-M380 VanDerWaalsContact CD-O 3.32Å; R284-M380 WeakPolarHBondContact CD-O 3.21Å; R284-M380 HydrophobicContact CG-CB 4.42Å
285S98.3Very high94.2Very high4 Ų436 Ų363%0.02821%0.207CC..EExtended strand (participates in β ladder)trans-140.7146-179-164.10000111.4L150 T268L150-S285 PolarHBondContact N-O 3.45Å; L150-S285 PolarHBondContact O-N 3.02Å; T268-S285 PolarHBondContact OG1-OG 2.76Å
286P97.6Very high93.6Very high0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-59.2143.2171.4-20.632000110.9Y135 P147 D148 Y149 I266 G267 A288 I289 A290Y135-P286 HydrophobicContact CD1-CB 4.45Å; Y135-P286 HydrophobicContact CD1-CG 3.74Å; Y135-P286 HydrophobicContact CE1-CB 3.57Å; Y135-P286 HydrophobicContact CE1-CG 3.35Å; P147-P286 HydrophobicContact CB-CB 4.35Å; D148-P286 WeakPolarHBondContact O-CA 3.33Å; Y149-P286 HydrophobicContact CD1-CG 4.29Å; Y149-P286 HydrophobicContact CE1-CB 4.46Å; Y149-P286 HydrophobicContact CE1-CG 3.7Å; I266-P286 WeakPolarHBondContact O-CD 2.98Å; G267-P286 WeakPolarHBondContact O-CD 3.44Å; P286-A288 VanDerWaalsContact C-N 3.28Å; P286-A288 PolarHBondContact O-N 2.97Å; P286-I289 HydrophobicContact CB-CB 4.39Å; P286-I289 HydrophobicContact CB-CG1 4.1Å; P286-I289 HydrophobicContact CG-CG1 4.09Å; P286-I289 PolarHBondContact O-N 3.34Å; P286-A290 PolarHBondContact O-N 3.2Å
287S95.9Very high93.5Very high33 Ų3341.3 Ų41.323%0.23122%0.218CC..Hα-helixtrans-53.2-45.1179.256.20000112.5D148 I289 A290 E291D148-S287 PolarHBondContact O-N 3.26Å; S287-I289 PolarHBondContact O-N 2.67Å; S287-I289 VanDerWaalsContact O-N 3.14Å; S287-A290 PolarHBondContact O-N 3.22Å; S287-E291 VanDerWaalsContact O-CB 3.32Å; S287-E291 WeakPolarHBondContact O-CB 3.5Å; S287-E291 WeakPolarHBondContact O-CG 3.38Å; S287-E291 PolarHBondContact O-N 3.3Å
288A94.1Very high93.2Very high56 Ų5639.8 Ų39.846%0.46322%0.222SC..Hα-helixtrans-63.9-18.8178.500000114.7P286 A292P286-A288 VanDerWaalsContact C-N 3.28Å; P286-A288 PolarHBondContact O-N 2.97Å; A288-A292 WeakPolarHBondContact O-CB 3.41Å
289I96Very high93.1Very high7 Ų742.7 Ų42.74%0.03624%0.236CC..Hα-helixtrans-93.1-45.6175.8-62.9-61.2000109.9Y135 N181 Y183 I266 P286 S287 E291 A292Y135-I289 HydrophobicContact CD2-CD1 4.27Å; Y135-I289 HydrophobicContact CD2-CG1 4.35Å; Y135-I289 HydrophobicContact CE2-CD1 3.79Å; Y135-I289 HydrophobicContact CE2-CG1 3.8Å; N181-I289 PolarHBondContact ND2-O 3.4Å; Y183-I289 HydrophobicContact CD2-CB 4.41Å; Y183-I289 HydrophobicContact CD2-CD1 3.81Å; Y183-I289 HydrophobicContact CD2-CG2 3.76Å; Y183-I289 HydrophobicContact CE1-CD1 4.45Å; Y183-I289 HydrophobicContact CE2-CD1 3.49Å; Y183-I289 VanDerWaalsContact CE2-CD1 3.49Å; Y183-I289 HydrophobicContact CE2-CG2 4.41Å; Y183-I289 HydrophobicContact CG-CD1 4.38Å; Y183-I289 HydrophobicContact CG-CG2 4.33Å; I266-I289 HydrophobicContact CB-CD1 4.35Å; I266-I289 HydrophobicContact CB-CG1 4.44Å; I266-I289 HydrophobicContact CB-CG2 4.18Å; I266-I289 HydrophobicContact CD1-CG2 4.47Å; I266-I289 HydrophobicContact CG2-CD1 4.38Å; P286-I289 HydrophobicContact CB-CB 4.39Å; P286-I289 HydrophobicContact CB-CG1 4.1Å; P286-I289 HydrophobicContact CG-CG1 4.09Å; P286-I289 PolarHBondContact O-N 3.34Å; S287-I289 PolarHBondContact O-N 2.67Å; S287-I289 VanDerWaalsContact O-N 3.14Å; I289-E291 PolarHBondContact O-N 2.98Å; I289-A292 PolarHBondContact O-N 2.68Å
290A96.3Very high93Very high2 Ų242.6 Ų42.62%0.01724%0.235CC..Hα-helixtrans-60.8-33.4177.900000112.7L150 F163 P286 S287 F293L150-A290 HydrophobicContact CD1-CB 4.15Å; F163-A290 HydrophobicContact CD2-CB 4.02Å; F163-A290 HydrophobicContact CE2-CB 3.88Å; F163-A290 HydrophobicContact CG-CB 4.4Å; F163-A290 HydrophobicContact CZ-CB 4.16Å; P286-A290 PolarHBondContact O-N 3.2Å; S287-A290 PolarHBondContact O-N 3.22Å; A290-F293 WeakPolarHBondContact O-CD1 3.39Å
291E94.1Very high92.9Very high117 Ų11742.3 Ų42.355%0.54723%0.231SC..THydrogen-bonded Turntrans-973.8-175.8-61.3178.4173.500114.1S287 I289 F293S287-E291 VanDerWaalsContact O-CB 3.32Å; S287-E291 WeakPolarHBondContact O-CB 3.5Å; S287-E291 WeakPolarHBondContact O-CG 3.38Å; S287-E291 PolarHBondContact O-N 3.3Å; I289-E291 PolarHBondContact O-N 2.98Å; E291-F293 PolarHBondContact O-N 3Å; E291-F293 VanDerWaalsContact O-N 3.16Å
292A94.3Very high92.9Very high18 Ų1842.2 Ų42.215%0.14923%0.231CC..  trans-88.573-179.600000112N181 E182 Y183 A288 I289N181-A292 WeakPolarHBondContact CB-O 3.1Å; E182-A292 WeakPolarHBondContact CG-O 3.49Å; E182-A292 PolarHBondContact N-O 3.27Å; Y183-A292 HydrophobicContact CD2-CB 4.27Å; Y183-A292 HydrophobicContact CE2-CB 3.58Å; A288-A292 WeakPolarHBondContact O-CB 3.41Å; I289-A292 PolarHBondContact O-N 2.68Å
293F90.9Very high92.8Very high48 Ų4842.5 Ų42.521%0.21123%0.233CC..  trans-135.3157.8177.953.9-101.9000111.4N181 A290 E291 Q297 V303 Y304N181-F293 HydrophobicContact CB-CB 4.09Å; A290-F293 WeakPolarHBondContact O-CD1 3.39Å; E291-F293 PolarHBondContact O-N 3Å; E291-F293 VanDerWaalsContact O-N 3.16Å; F293-Q297 VanDerWaalsContact CA-OE1 3.23Å; F293-Q297 HydrophobicContact CB-CB 4.23Å; F293-V303 HydrophobicContact CE1-CG1 3.94Å; F293-V303 HydrophobicContact CE1-CG2 3.94Å; F293-V303 HydrophobicContact CZ-CG1 3.78Å; F293-Y304 VanDerWaalsContact CE2-OH 3.23Å; F293-Y304 WeakPolarHBondContact CE2-OH 3.46Å
294T86.4Confident92.6Very high53 Ų5346.9 Ų46.933%0.32525%0.25SC..  trans-89.5162.2179.976.40000111.7E296 Q297T294-E296 WeakPolarHBondContact CB-OE2 3.47Å; T294-E296 PolarHBondContact O-N 3.25Å; T294-E296 VanDerWaalsContact O-N 3.13Å; T294-E296 PolarHBondContact OG1-OE2 2.89Å; T294-Q297 WeakPolarHBondContact O-CB 3.49Å; T294-Q297 PolarHBondContact O-N 3.3Å
295P80.2Confident92.4Very high113 Ų11344.2 Ų44.273%0.73424%0.241SC*.THydrogen-bonded Turntrans-60.3-21.2178.2-24.335.4000114.5Q297P295-Q297 PolarHBondContact O-N 2.83Å
296E82.5Confident92.2Very high148 Ų14844.1 Ų44.169%0.69224%0.24SC*.THydrogen-bonded Turntrans-73.2-15.4175.5-59.774.6-158.900112.9T294 D298T294-E296 WeakPolarHBondContact CB-OE2 3.47Å; T294-E296 PolarHBondContact O-N 3.25Å; T294-E296 VanDerWaalsContact O-N 3.13Å; T294-E296 PolarHBondContact OG1-OE2 2.89Å; E296-D298 VanDerWaalsContact C-N 3.29Å; E296-D298 PolarHBondContact O-N 2.71Å
297Q85.2Confident92Very high26 Ų2645.8 Ų45.812%0.12125%0.251CS..  trans-94.853.4178.8-56.1178.3-7000110.1D180 F293 T294 P295 L299 Q300D180-Q297 PolarHBondContact O-NE2 3.07Å; D180-Q297 PolarHBondContact OD1-NE2 3.14Å; D180-Q297 WeakPolarHBondContact OD2-CG 3.41Å; D180-Q297 PolarHBondContact OD2-NE2 2.79Å; F293-Q297 VanDerWaalsContact CA-OE1 3.23Å; F293-Q297 HydrophobicContact CB-CB 4.23Å; T294-Q297 WeakPolarHBondContact O-CB 3.49Å; T294-Q297 PolarHBondContact O-N 3.3Å; P295-Q297 PolarHBondContact O-N 2.83Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 3.3Å; Q297-Q300 PolarHBondContact O-NE2 2.88Å
298D83.7Confident91.7Very high125 Ų12549.1 Ų49.167%0.66827%0.272SS*.  trans-81.9-4.2-171.566.9-10.1000114.6E296E296-D298 VanDerWaalsContact C-N 3.29Å; E296-D298 PolarHBondContact O-N 2.71Å
299L89.5Confident91.5Very high70 Ų7051.2 Ų51.237%0.36628%0.283SS..  trans-118.5102.5176.8-175.466.8000110.9W176 P177 Q297 P307W176-L299 HydrophobicContact CE3-CD1 4.33Å; W176-L299 HydrophobicContact CE3-CD2 4.16Å; W176-L299 HydrophobicContact CZ3-CD1 4.08Å; W176-L299 HydrophobicContact CZ3-CD2 4.11Å; P177-L299 HydrophobicContact CG-CB 4.3Å; P177-L299 HydrophobicContact CG-CD2 3.95Å; P177-L299 HydrophobicContact CG-CG 3.82Å; P177-L299 WeakPolarHBondContact CG-O 3.32Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 3.3Å; L299-P307 HydrophobicContact CD1-CG 4.06Å
300Q95.3Very high91.3Very high1 Ų153.4 Ų53.41%0.00529%0.293CS..  trans-151.2112.5177.8-62.3-179.465.700110.4P177 D180 Q297 C302 V303 Y304P177-Q300 WeakPolarHBondContact O-CA 3.4Å; D180-Q300 HydrophobicContact CB-CG 4.08Å; D180-Q300 PolarHBondContact O-NE2 2.8Å; D180-Q300 VanDerWaalsContact O-NE2 3.08Å; D180-Q300 PolarHBondContact O-OE1 2.76Å; D180-Q300 VanDerWaalsContact O-OE1 3.09Å; Q297-Q300 PolarHBondContact O-NE2 2.88Å; Q300-C302 VanDerWaalsContact C-N 3.32Å; Q300-C302 PolarHBondContact O-N 2.99Å; Q300-V303 HydrophobicContact CB-CB 4.12Å; Q300-V303 HydrophobicContact CB-CG2 4.01Å; Q300-V303 PolarHBondContact O-N 2.84Å; Q300-V303 VanDerWaalsContact O-N 3.1Å; Q300-Y304 HydrophobicContact CB-CD2 4.44Å; Q300-Y304 PolarHBondContact O-N 3.47Å
301L96.7Very high91Very high2 Ų258.8 Ų58.81%0.0131%0.313CS..Hα-helixtrans-63.1-36.1-174.3-61-168.7000112.9V160 V172 W176 P177 L178 V303 G305 C306V160-L301 HydrophobicContact CG1-CB 4.35Å; V160-L301 WeakPolarHBondContact CG1-O 3.42Å; V160-L301 HydrophobicContact CG2-CD1 4.4Å; V172-L301 HydrophobicContact CG1-CD1 4.36Å; V172-L301 HydrophobicContact CG1-CD2 4.49Å; V172-L301 HydrophobicContact CG2-CD1 4.14Å; W176-L301 HydrophobicContact CB-CD1 4.17Å; P177-L301 PolarHBondContact O-N 2.87Å; L178-L301 HydrophobicContact CD2-CB 3.94Å; L178-L301 HydrophobicContact CD2-CD1 3.63Å; L178-L301 HydrophobicContact CD2-CG 4.04Å; L178-L301 PolarHBondContact O-N 2.76Å; L301-V303 PolarHBondContact O-N 2.73Å; L301-G305 VanDerWaalsContact CD2-O 3.29Å; L301-G305 WeakPolarHBondContact CD2-O 3.35Å; L301-G305 WeakPolarHBondContact O-CA 3.48Å; L301-G305 PolarHBondContact O-N 3.32Å; L301-C306 HydrophobicContact CD2-CB 4.18Å
302C98.1Very high90.7Very high0 Ų054.8 Ų54.80%030%0.295CS..Hα-helixtrans-68.9-19.4178.1-77.10000113.8C152 T162 F163 L178 I179 Q300C152-C302 HydrophobicContact CB-CB 3.64Å; C152-C302 WeakPolarHBondContact CB-SG 3.29Å; C152-C302 WeakPolarHBondContact SG-CA 3.44Å; C152-C302 WeakPolarHBondContact SG-CB 3.39Å; C152-C302 CovalentContact SG-SG 2.04Å; C152-C302 PolarHBondContact SG-SG 3.42Å; T162-C302 CarbonylContact C-O 3.59Å; T162-C302 WeakPolarHBondContact CA-O 3.37Å; T162-C302 WeakPolarHBondContact CB-O 3.23Å; F163-C302 HydrophobicContact CD2-CB 3.83Å; F163-C302 WeakPolarHBondContact CD2-O 3.47Å; F163-C302 HydrophobicContact CE2-CB 3.59Å; F163-C302 HydrophobicContact CZ-CB 4.18Å; F163-C302 PolarHBondContact N-O 3.03Å; L178-C302 VanDerWaalsContact O-CB 3.25Å; L178-C302 WeakPolarHBondContact O-CB 3.4Å; L178-C302 PolarHBondContact O-N 2.81Å; I179-C302 HydrophobicContact CG1-CB 3.91Å; Q300-C302 VanDerWaalsContact C-N 3.32Å; Q300-C302 PolarHBondContact O-N 2.99Å
303V96.3Very high89.6Confident10 Ų1062.8 Ų62.86%0.06133%0.33CS..Hα-helixtrans-98-50-179.3-178.70000110.9F163 F293 Q300 L301F163-V303 HydrophobicContact CD2-CG2 4.31Å; F293-V303 HydrophobicContact CE1-CG1 3.94Å; F293-V303 HydrophobicContact CE1-CG2 3.94Å; F293-V303 HydrophobicContact CZ-CG1 3.78Å; Q300-V303 HydrophobicContact CB-CB 4.12Å; Q300-V303 HydrophobicContact CB-CG2 4.01Å; Q300-V303 PolarHBondContact O-N 2.84Å; Q300-V303 VanDerWaalsContact O-N 3.1Å; L301-V303 PolarHBondContact O-N 2.73Å
304Y94.9Very high88.2Confident92 Ų9263.5 Ų63.536%0.36134%0.338SS..Hα-helixtrans-108.7-7.1-169.9-58-66.2000113.9F293 Q300F293-Y304 VanDerWaalsContact CE2-OH 3.23Å; F293-Y304 WeakPolarHBondContact CE2-OH 3.46Å; Q300-Y304 HydrophobicContact CB-CD2 4.44Å; Q300-Y304 PolarHBondContact O-N 3.47Å
305G94.5Very high86.7Confident3 Ų364 Ų643%0.03134%0.339CS..  trans69.3-165.3-167.300000111.8Q168 L301Q168-G305 VanDerWaalsContact OE1-CA 3.29Å; L301-G305 VanDerWaalsContact CD2-O 3.29Å; L301-G305 WeakPolarHBondContact CD2-O 3.35Å; L301-G305 WeakPolarHBondContact O-CA 3.48Å; L301-G305 PolarHBondContact O-N 3.32Å
306C93.5Very high84.9Confident2 Ų263.6 Ų63.61%0.01434%0.336CS..SBendtrans-78.5148.4177.437.70000112.3Q168 C170 V172 L301 Q310 R311Q168-C306 PolarHBondContact OE1-SG 3.42Å; C170-C306 HydrophobicContact CB-CB 3.63Å; C170-C306 WeakPolarHBondContact CB-SG 3.42Å; C170-C306 WeakPolarHBondContact SG-CB 3.44Å; C170-C306 CovalentContact SG-SG 2.03Å; C170-C306 PolarHBondContact SG-SG 3.2Å; V172-C306 HydrophobicContact CG1-CB 3.93Å; L301-C306 HydrophobicContact CD2-CB 4.18Å; C306-Q310 HydrophobicContact CB-CB 4.25Å; C306-R311 HydrophobicContact CB-CG 4.49Å; C306-R311 PolarHBondContact O-NE 2.8Å; C306-R311 PolarHBondContact O-NH2 2.82Å; C306-R311 VanDerWaalsContact O-NH2 3.16Å
307P92.9Very high82.9Confident35 Ų3559.8 Ų59.823%0.22733%0.326CS..  trans-53.8146.3170.9-25.133.7000111W176 L299 S309 Q310 R311W176-P307 HydrophobicContact CH2-CG 4.48Å; W176-P307 HydrophobicContact CZ3-CG 4.05Å; L299-P307 HydrophobicContact CD1-CG 4.06Å; P307-S309 PolarHBondContact O-N 3.19Å; P307-Q310 HydrophobicContact CB-CG 4.41Å; P307-Q310 HydrophobicContact CG-CG 4.48Å; P307-Q310 WeakPolarHBondContact O-CA 3.47Å; P307-Q310 PolarHBondContact O-N 3.24Å; P307-R311 PolarHBondContact O-N 2.93Å
308P90.8Very high80.9Confident103 Ų10363.8 Ų63.867%0.66935%0.354SS*.G310 helixtrans-53.5-33.3-178.2-2935.6000114.6Q310 R311P308-Q310 PolarHBondContact O-N 2.8Å; P308-R311 PolarHBondContact O-N 3.1Å
309S89.8Confident78.8Confident101 Ų10162.8 Ų62.871%0.70636%0.356SS*.G310 helixtrans-69.8-13176.756.40000114.6P307P307-S309 PolarHBondContact O-N 3.19Å
310Q91.3Very high76.3Confident53 Ų5362.8 Ų62.825%0.24836%0.363CS..G310 helixtrans-110.4-2.6-179.9-60.8-61.5-50.400112.5C170 A171 V172 W176 C306 P307 P308C170-Q310 WeakPolarHBondContact CA-O 3.36Å; A171-Q310 PolarHBondContact N-O 2.77Å; V172-Q310 HydrophobicContact CG1-CB 3.81Å; V172-Q310 HydrophobicContact CG1-CG 4.13Å; W176-Q310 HydrophobicContact CH2-CG 4.03Å; W176-Q310 HydrophobicContact CZ2-CG 4.28Å; C306-Q310 HydrophobicContact CB-CB 4.25Å; P307-Q310 HydrophobicContact CB-CG 4.41Å; P307-Q310 HydrophobicContact CG-CG 4.48Å; P307-Q310 WeakPolarHBondContact O-CA 3.47Å; P307-Q310 PolarHBondContact O-N 3.24Å; P308-Q310 PolarHBondContact O-N 2.8Å
311R90.5Very high73.8Confident114 Ų11468.3 Ų68.343%0.4340%0.401SS..EExtended strand (participates in β ladder)trans-77.2130178.7-68.4178.2-169.3-168.2-3.4109.6C306 P307 P308C306-R311 HydrophobicContact CB-CG 4.49Å; C306-R311 PolarHBondContact O-NE 2.8Å; C306-R311 PolarHBondContact O-NH2 2.82Å; C306-R311 VanDerWaalsContact O-NH2 3.16Å; P307-R311 PolarHBondContact O-N 2.93Å; P308-R311 PolarHBondContact O-N 3.1Å
312L86.6Confident71Confident34 Ų3472.8 Ų72.818%0.17843%0.432CS..EExtended strand (participates in β ladder)trans-92.6134.9171.1-61.1-178.8000108.8T169 A171 Y198 T314 F356T169-L312 HydrophobicContact CG2-CB 4.23Å; T169-L312 HydrophobicContact CG2-CD1 4.23Å; T169-L312 PolarHBondContact O-N 3.23Å; A171-L312 HydrophobicContact CB-CD1 4.21Å; A171-L312 HydrophobicContact CB-CD2 4.04Å; A171-L312 HydrophobicContact CB-CG 4.16Å; Y198-L312 HydrophobicContact CG-CD2 4.26Å; L312-T314 PolarHBondContact O-N 3.32Å; L312-F356 HydrophobicContact CD1-CZ 3.76Å
313E71.2Confident68.3Low185 Ų18578 Ų7886%0.86447%0.469SS*.PPolyproline II helixtrans-61.3128.7174.9-70.5-175.6173.400109.3L315E313-L315 PolarHBondContact O-N 2.88Å
314T62.3Low65.4Low63 Ų6386.1 Ų86.139%0.38751%0.511SS..PPolyproline II helixtrans-61.1132173.8-36.10000108L312L312-T314 PolarHBondContact O-N 3.32Å
315L54.3Low62.5Low65 Ų6586.9 Ų86.934%0.3453%0.53SS..  trans-45.6131.3179.4-76.9151.9000110.4E313 S317 F356 L359E313-L315 PolarHBondContact O-N 2.88Å; L315-S317 PolarHBondContact O-N 2.03Å; L315-F356 HydrophobicContact CD1-CB 4.08Å; L315-F356 HydrophobicContact CD1-CD2 3.97Å; L315-F356 HydrophobicContact CD1-CG 4.43Å; L315-F356 HydrophobicContact CG-CD2 4.29Å; L315-L359 HydrophobicContact CD1-CD1 3.6Å; L315-L359 HydrophobicContact CD2-CD1 4.14Å
316P43Very low59.7Low104 Ų10491.9 Ų91.968%0.67557%0.565SS**  trans-56.9129.8178.6-6.98.4000110.2
317S40.7Very low56.8Low68 Ų6897.1 Ų97.148%0.47660%0.601SS.*  trans-56.7146.1172-149.10000109.8L315 S319 S320L315-S317 PolarHBondContact O-N 2.03Å; S317-S319 PolarHBondContact O-N 2.86Å; S317-S320 PolarHBondContact O-N 2.77Å; S317-S320 PolarHBondContact O-OG 2.85Å
318P42.8Very low54.3Low109 Ų109101.6 Ų101.671%0.70863%0.633SS**THydrogen-bonded Turntrans-62.2-1.1-177.922.6-33.1000115.1
319S39.6Very low51.9Low104 Ų104100.8 Ų100.873%0.72763%0.63SS**THydrogen-bonded Turntrans-82.9-9.517556.30000114.8S317 S321S317-S319 PolarHBondContact O-N 2.86Å; S319-S321 PolarHBondContact O-N 2.78Å
320S38.4Very low49.9Very low71 Ų71100.8 Ų100.850%0.49763%0.63SS.*  trans-93.268.717361.60000111S317 S322S317-S320 PolarHBondContact O-N 2.77Å; S317-S320 PolarHBondContact O-OG 2.85Å; S320-S322 VanDerWaalsContact C-N 3.3Å; S320-S322 PolarHBondContact O-N 2.83Å
321S41.8Very low47.9Very low117 Ų117105.4 Ų105.482%0.81865%0.652SS**  trans-75.182.7168.160.50000109.9S319S319-S321 PolarHBondContact O-N 2.78Å
322S36.8Very low46.4Very low95 Ų95104.1 Ų104.166%0.66466%0.658SS**  trans-134.391.5164.456.70000110.4S320S320-S322 VanDerWaalsContact C-N 3.3Å; S320-S322 PolarHBondContact O-N 2.83Å
323S41.5Very low45.8Very low111 Ų111105.2 Ų105.278%0.77667%0.668SS**  trans49.487.9146.3600000118.2
324L35.6Very low46.4Very low180 Ų18098.9 Ų98.994%0.94265%0.648SS**  trans-129.4114.6134.5-91.8103.3000110
325S33.9Very low47.7Very low108 Ų10898.8 Ų98.876%0.75565%0.653SS**  trans-68.8145.5175.841.60000112.5
326S37.6Very low49.4Very low108 Ų10896 Ų9676%0.75564%0.639SS**  trans65.294152.9610000119
327S31.8Very low51.8Low111 Ų11193.9 Ų93.978%0.77662%0.62SS**  -173.9151.6118.246.10000110.5S329S327-S329 PolarHBondContact O-N 3.38Å
328S39.8Very low54.3Low129 Ų12995.8 Ų95.890%0.90263%0.629SS**SBendtrans-69.582.1-166.949.70000115.2
329S41.4Very low56.8Low86 Ų8693.2 Ų93.260%0.60161%0.608SS**  trans-148.238.2173.959.50000114.6S327 Q331 P332S327-S329 PolarHBondContact O-N 3.38Å; S329-Q331 PolarHBondContact O-N 2.9Å; S329-P332 WeakPolarHBondContact O-CD 3.34Å
330S46.8Very low59.5Low101 Ų10188.3 Ų88.371%0.70657%0.573SS**  trans-7516.8-17554.50000116.9
331Q50.6Low62.3Low151 Ų15186 Ų8671%0.70656%0.558SS**SBendtrans-108.8-38.9-172-71.6-82.5-48.600115.5S329 S333 A335S329-Q331 PolarHBondContact O-N 2.9Å; Q331-S333 PolarHBondContact O-N 3.33Å; Q331-A335 PolarHBondContact O-N 3.29Å
332P57.5Low64.9Low86 Ų8684.4 Ų84.456%0.55855%0.552SS**Hα-helixtrans-65.5-35.2-176-21.633.8000113.8S329 A336S329-P332 WeakPolarHBondContact O-CD 3.34Å; P332-A336 PolarHBondContact O-N 2.78Å
333S75.2Confident67.8Low57 Ų5783.6 Ų83.640%0.39954%0.54SS..Hα-helixtrans-73.2-41.7-178.671.30000112.9Q331 A335 A336 H337Q331-S333 PolarHBondContact O-N 3.33Å; S333-A335 PolarHBondContact O-N 2.75Å; S333-A336 PolarHBondContact O-N 2.98Å; S333-H337 PolarHBondContact O-CD2 3.09Å; S333-H337 PolarHBondContact O-N 2.82Å
334A83.8Confident70.4Confident52 Ų5278.4 Ų78.443%0.4350%0.503SS..Hα-helixtrans-63.6-41.4178.800000111.9H337 V338A334-H337 PolarHBondContact O-N 3.3Å; A334-V338 WeakPolarHBondContact O-CG2 3.3Å; A334-V338 PolarHBondContact O-N 3.32Å; A334-V338 VanDerWaalsContact O-N 3.09Å
335A88.1Confident73.2Confident61 Ų6174.5 Ų74.550%0.50449%0.489SS..Hα-helixtrans-63.3-44.317600000112.1Q331 S333 H337 V338 H339Q331-A335 PolarHBondContact O-N 3.29Å; S333-A335 PolarHBondContact O-N 2.75Å; A335-H337 PolarHBondContact O-N 3.33Å; A335-V338 PolarHBondContact O-N 3.02Å; A335-H339 WeakPolarHBondContact O-CB 3.39Å; A335-H339 PolarHBondContact O-N 2.89Å
336A91Very high76Confident6 Ų671.3 Ų71.35%0.0547%0.469CS..Hα-helixtrans-60.5-43.9175.900000112P332 S333 V338 H339 C340 L355 L358 L359P332-A336 PolarHBondContact O-N 2.78Å; S333-A336 PolarHBondContact O-N 2.98Å; A336-V338 PolarHBondContact O-N 3.2Å; A336-H339 PolarHBondContact O-N 2.83Å; A336-C340 WeakPolarHBondContact O-CB 3.35Å; A336-C340 PolarHBondContact O-N 3.41Å; A336-L355 HydrophobicContact CB-CD2 4.1Å; A336-L358 HydrophobicContact CB-CB 4.08Å; A336-L358 HydrophobicContact CB-CD1 4.06Å; A336-L359 HydrophobicContact CB-CD2 4.29Å; A336-L359 HydrophobicContact CB-CG 4.47Å
337H92.4Very high78.6Confident60 Ų6074.1 Ų74.128%0.27846%0.463SS..Hα-helixtrans-59.4-44.9176-84.7-76.5000112.9S333 A334 A335 A341 Y351 L355S333-H337 PolarHBondContact O-CD2 3.09Å; S333-H337 PolarHBondContact O-N 2.82Å; A334-H337 PolarHBondContact O-N 3.3Å; A335-H337 PolarHBondContact O-N 3.33Å; H337-A341 WeakPolarHBondContact O-CB 3.14Å; H337-A341 PolarHBondContact O-N 3.23Å; H337-Y351 AromaticContact ND1-CZ 3.91Å; H337-Y351 PolarHBondContact ND1-OH 3.39Å; H337-L355 HydrophobicContact CB-CD2 4.38Å; H337-L355 WeakPolarHBondContact CE1-CD1 3.4Å
338V94.6Very high81.5Confident108 Ų10868.9 Ų68.966%0.65543%0.426SS*.Hα-helixtrans-64.8-46.1178.4171.50000110.7A334 A335 A336 A341 A342A334-V338 WeakPolarHBondContact O-CG2 3.3Å; A334-V338 PolarHBondContact O-N 3.32Å; A334-V338 VanDerWaalsContact O-N 3.09Å; A335-V338 PolarHBondContact O-N 3.02Å; A336-V338 PolarHBondContact O-N 3.2Å; V338-A341 PolarHBondContact O-N 3.27Å; V338-A342 PolarHBondContact O-N 2.81Å; V338-A342 VanDerWaalsContact O-N 3.09Å
339H95.4Very high84.1Confident56 Ų5662.8 Ų62.826%0.25938%0.384SS..Hα-helixtrans-61.7-53.3-180-176.284.2000112.1A335 A336 A341 A342 L343 L358 L364 S367A335-H339 WeakPolarHBondContact O-CB 3.39Å; A335-H339 PolarHBondContact O-N 2.89Å; A336-H339 PolarHBondContact O-N 2.83Å; H339-A341 VanDerWaalsContact C-N 3.29Å; H339-A341 PolarHBondContact O-N 2.77Å; H339-A342 PolarHBondContact O-N 2.99Å; H339-L343 WeakPolarHBondContact NE2-CD1 3.45Å; H339-L343 PolarHBondContact O-N 2.93Å; H339-L358 HydrophobicContact CB-CD1 4.37Å; H339-L364 HydrophobicContact CB-CD2 4.43Å; H339-S367 PolarHBondContact NE2-OG 2.99Å
340C96.4Very high86.7Confident0 Ų058.8 Ų58.80%036%0.356CS..Hα-helixtrans-64.3-33.8179-68.10000112.1A336 A342 L343 L344 Y351 C354 L355 L358A336-C340 WeakPolarHBondContact O-CB 3.35Å; A336-C340 PolarHBondContact O-N 3.41Å; C340-A342 VanDerWaalsContact C-N 3.33Å; C340-A342 PolarHBondContact O-N 3.4Å; C340-L343 PolarHBondContact O-N 3.38Å; C340-L344 WeakPolarHBondContact O-CA 3.39Å; C340-L344 WeakPolarHBondContact O-CB 3.43Å; C340-L344 PolarHBondContact O-N 3.48Å; C340-Y351 HydrophobicContact CB-CD2 3.7Å; C340-Y351 HydrophobicContact CB-CE2 3.62Å; C340-C354 VanDerWaalsContact CA-SG 3.57Å; C340-C354 HydrophobicContact CB-CB 3.84Å; C340-C354 WeakPolarHBondContact CB-SG 3.4Å; C340-C354 WeakPolarHBondContact SG-CB 3.39Å; C340-C354 CovalentContact SG-SG 2.04Å; C340-C354 PolarHBondContact SG-SG 3.46Å; C340-L355 HydrophobicContact CB-CD2 4.16Å; C340-L355 HydrophobicContact CB-CG 4.28Å; C340-L355 PolarHBondContact SG-N 2.88Å; C340-L355 VanDerWaalsContact SG-N 3.44Å; C340-L358 VanDerWaalsContact SG-CD1 3.57Å
341A96Very high89.1Confident22 Ų2254.8 Ų54.818%0.18233%0.325CS..Hα-helixtrans-71.6-29.7-179.900000112.4H337 V338 H339 Y351H337-A341 WeakPolarHBondContact O-CB 3.14Å; H337-A341 PolarHBondContact O-N 3.23Å; V338-A341 PolarHBondContact O-N 3.27Å; H339-A341 VanDerWaalsContact C-N 3.29Å; H339-A341 PolarHBondContact O-N 2.77Å; A341-Y351 HydrophobicContact CB-CE2 3.89Å
342A96.7Very high91.1Very high84 Ų8449.3 Ų49.369%0.69430%0.3SS*.Hα-helixtrans-68.9-39174.200000111.8V338 H339 C340V338-A342 PolarHBondContact O-N 2.81Å; V338-A342 VanDerWaalsContact O-N 3.09Å; H339-A342 PolarHBondContact O-N 2.99Å; C340-A342 VanDerWaalsContact C-N 3.33Å; C340-A342 PolarHBondContact O-N 3.4Å
343L97.1Very high92.9Very high78 Ų7845.2 Ų45.241%0.40827%0.273SS..Hα-helixtrans-80.2-37.2179.5-63.9176.3000113.1H339 C340 P345 V371H339-L343 WeakPolarHBondContact NE2-CD1 3.45Å; H339-L343 PolarHBondContact O-N 2.93Å; C340-L343 PolarHBondContact O-N 3.38Å; L343-P345 WeakPolarHBondContact O-CD 3.48Å; L343-V371 HydrophobicContact CB-CG2 4.11Å; L343-V371 HydrophobicContact CD1-CG2 4.24Å
344L96.9Very high93.8Very high2 Ų242.5 Ų42.51%0.0125%0.254CS..  trans-127.674.3-169-61165.5000109.9C340 A346 R347 Y350 Y351 C354 A370 V371 L374C340-L344 WeakPolarHBondContact O-CA 3.39Å; C340-L344 WeakPolarHBondContact O-CB 3.43Å; C340-L344 PolarHBondContact O-N 3.48Å; L344-A346 PolarHBondContact O-N 3Å; L344-R347 PolarHBondContact O-N 2.85Å; L344-Y350 WeakPolarHBondContact CD1-O 3.49Å; L344-Y351 HydrophobicContact CB-CD2 4.45Å; L344-C354 HydrophobicContact CD1-CB 3.66Å; L344-A370 HydrophobicContact CD1-CB 3.95Å; L344-V371 HydrophobicContact CD2-CG2 4.23Å; L344-V371 HydrophobicContact CG-CG2 4.37Å; L344-L374 HydrophobicContact CD2-CB 4.47Å; L344-L374 HydrophobicContact CD2-CD2 3.52Å
345P93.7Very high94.3Very high99 Ų9940.1 Ų40.164%0.64323%0.234SC*.THydrogen-bonded Turntrans-68.6-18.9-170.826.9-35.8000113.9L343 R347L343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-R347 PolarHBondContact O-N 3Å
346A92.6Very high94.4Very high41 Ų4138.6 Ų38.634%0.33922%0.216SC..THydrogen-bonded Turntrans-67.2-18.717800000113.4L344 D348 H388L344-A346 PolarHBondContact O-N 3Å; A346-D348 HydrophobicContact CB-CB 4.44Å; A346-D348 PolarHBondContact O-N 2.87Å; A346-H388 WeakPolarHBondContact CB-ND1 3.5Å
347R92.2Very high94.4Very high166 Ų16638.5 Ų38.563%0.62622%0.215SC*.  trans52.636.4179-62.5-177.3176.2-168.7-1.5114L344 P345 Y351L344-R347 PolarHBondContact O-N 2.85Å; P345-R347 PolarHBondContact O-N 3Å; R347-Y351 HydrophobicContact CB-CD1 4.18Å; R347-Y351 HydrophobicContact CB-CG 4.35Å; R347-Y351 HydrophobicContact CG-CD1 4.45Å; R347-Y351 HydrophobicContact CG-CG 4.42Å
348D93.4Very high94.3Very high1 Ų136.1 Ų36.11%0.00520%0.204CC..SBendtrans-98.8-158.1-177.469.8-16.6000111.5A346 Y350 Y351 Q352 H388 L389 L390A346-D348 HydrophobicContact CB-CB 4.44Å; A346-D348 PolarHBondContact O-N 2.87Å; D348-Y350 VanDerWaalsContact C-N 3.26Å; D348-Y350 PolarHBondContact O-N 2.91Å; D348-Y350 PolarHBondContact OD1-N 2.91Å; D348-Y350 WeakPolarHBondContact OD2-CD2 3.42Å; D348-Y351 WeakPolarHBondContact O-CB 3.21Å; D348-Y351 PolarHBondContact O-N 2.87Å; D348-Y351 VanDerWaalsContact O-N 3.14Å; D348-Q352 PolarHBondContact O-N 3.02Å; D348-Q352 VanDerWaalsContact O-N 3.07Å; D348-H388 HydrophobicContact CB-CB 4.41Å; D348-H388 VanDerWaalsContact OD2-CA 3.29Å; D348-H388 WeakPolarHBondContact OD2-CA 3.42Å; D348-H388 WeakPolarHBondContact OD2-CB 3.46Å; D348-H388 IonicContact OD2-CE1 2.7Å; D348-H388 IonicContact OD2-CG 2.81Å; D348-H388 IonicContact OD2-ND1 3.41Å; D348-H388 PolarHBondContact OD2-ND1 3.43Å; D348-L389 WeakPolarHBondContact CB-O 3.43Å; D348-L390 HydrophobicContact CB-CD2 4.43Å
349I94.3Very high94Very high2 Ų234.2 Ų34.21%0.0119%0.19CC..Hα-helixtrans-55-35.3178.456.7156.5000114.3F167 Q352 A353 L389 L391F167-I349 HydrophobicContact CB-CB 4.17Å; F167-I349 HydrophobicContact CB-CD1 4.31Å; F167-I349 HydrophobicContact CB-CG2 3.48Å; F167-I349 VanDerWaalsContact CB-CG2 3.48Å; F167-I349 HydrophobicContact CD1-CB 3.96Å; F167-I349 HydrophobicContact CD1-CG2 3.69Å; F167-I349 HydrophobicContact CD2-CB 3.67Å; F167-I349 HydrophobicContact CD2-CD1 3.61Å; F167-I349 HydrophobicContact CD2-CG1 4.23Å; F167-I349 HydrophobicContact CD2-CG2 3.97Å; F167-I349 HydrophobicContact CE1-CB 4.25Å; F167-I349 HydrophobicContact CE1-CG2 4.41Å; F167-I349 HydrophobicContact CE2-CB 3.95Å; F167-I349 HydrophobicContact CE2-CD1 4.21Å; F167-I349 HydrophobicContact CG-CB 3.65Å; F167-I349 HydrophobicContact CG-CD1 4.16Å; F167-I349 HydrophobicContact CG-CG2 3.42Å; F167-I349 VanDerWaalsContact CG-CG2 3.42Å; F167-I349 HydrophobicContact CZ-CB 4.24Å; I349-Q352 PolarHBondContact O-N 3.38Å; I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 3.36Å; I349-L389 HydrophobicContact CD1-CB 4.16Å; I349-L389 HydrophobicContact CD1-CD1 3.85Å; I349-L389 HydrophobicContact CD1-CG 4.24Å; I349-L389 HydrophobicContact CG1-CB 4.01Å; I349-L389 HydrophobicContact CG2-CB 3.9Å; I349-L389 WeakPolarHBondContact CG2-O 3.49Å; I349-L389 PolarHBondContact N-O 2.85Å; I349-L391 HydrophobicContact CG2-CD1 4.36Å; I349-L391 HydrophobicContact CG2-CG 4.18Å
350Y96.8Very high93.5Very high2 Ų232.9 Ų32.91%0.00819%0.188CC..Hα-helixtrans-70.8-38.6-179.7-58.8-77.8000110.2F155 R161 L344 D348 Q352 A353 C354 A370 A373 L374 A377 V387F155-Y350 HydrophobicContact CE1-CD1 4.47Å; F155-Y350 HydrophobicContact CE1-CE1 4.23Å; F155-Y350 HydrophobicContact CE2-CD1 4.35Å; F155-Y350 AromaticContact CZ-CD1 3.8Å; F155-Y350 HydrophobicContact CZ-CD1 3.8Å; F155-Y350 AromaticContact CZ-CE1 4Å; F155-Y350 HydrophobicContact CZ-CE1 4Å; R161-Y350 PolarHBondContact NH1-OH 3.32Å; R161-Y350 VanDerWaalsContact NH1-OH 3.16Å; L344-Y350 WeakPolarHBondContact CD1-O 3.49Å; D348-Y350 VanDerWaalsContact C-N 3.26Å; D348-Y350 PolarHBondContact O-N 2.91Å; D348-Y350 PolarHBondContact OD1-N 2.91Å; D348-Y350 WeakPolarHBondContact OD2-CD2 3.42Å; Y350-Q352 VanDerWaalsContact C-N 3.32Å; Y350-Q352 PolarHBondContact O-N 2.92Å; Y350-A353 WeakPolarHBondContact O-CB 3.36Å; Y350-A353 PolarHBondContact O-N 3.48Å; Y350-C354 WeakPolarHBondContact O-CB 3.22Å; Y350-C354 PolarHBondContact O-N 2.82Å; Y350-A370 WeakPolarHBondContact O-CB 3.46Å; Y350-A373 HydrophobicContact CD1-CB 4.15Å; Y350-A373 HydrophobicContact CE1-CB 3.96Å; Y350-L374 HydrophobicContact CD1-CB 3.95Å; Y350-L374 HydrophobicContact CD2-CB 4.08Å; Y350-L374 HydrophobicContact CD2-CD1 3.72Å; Y350-L374 HydrophobicContact CD2-CG 4.35Å; Y350-L374 HydrophobicContact CE1-CB 4.24Å; Y350-L374 HydrophobicContact CE2-CB 4.37Å; Y350-L374 HydrophobicContact CE2-CD1 3.68Å; Y350-L374 HydrophobicContact CG-CB 3.88Å; Y350-L374 HydrophobicContact CG-CD1 4.4Å; Y350-A377 WeakPolarHBondContact OH-CB 3.45Å; Y350-V387 WeakPolarHBondContact CE2-O 3.24Å
351Y95.9Very high92.9Very high16 Ų1634.7 Ų34.76%0.06320%0.199CC..Hα-helixtrans-61.4-41.6173170.1-99.6000111.8H337 C340 A341 L344 R347 D348 C354 L355H337-Y351 AromaticContact ND1-CZ 3.91Å; H337-Y351 PolarHBondContact ND1-OH 3.39Å; C340-Y351 HydrophobicContact CB-CD2 3.7Å; C340-Y351 HydrophobicContact CB-CE2 3.62Å; A341-Y351 HydrophobicContact CB-CE2 3.89Å; L344-Y351 HydrophobicContact CB-CD2 4.45Å; R347-Y351 HydrophobicContact CB-CD1 4.18Å; R347-Y351 HydrophobicContact CB-CG 4.35Å; R347-Y351 HydrophobicContact CG-CD1 4.45Å; R347-Y351 HydrophobicContact CG-CG 4.42Å; D348-Y351 WeakPolarHBondContact O-CB 3.21Å; D348-Y351 PolarHBondContact O-N 2.87Å; D348-Y351 VanDerWaalsContact O-N 3.14Å; Y351-C354 WeakPolarHBondContact O-CB 3.39Å; Y351-C354 PolarHBondContact O-N 3.13Å; Y351-L355 HydrophobicContact CD1-CD1 4.04Å; Y351-L355 HydrophobicContact CE1-CD1 3.36Å; Y351-L355 HydrophobicContact CE1-CG 4.15Å; Y351-L355 HydrophobicContact CE2-CD1 4.33Å; Y351-L355 HydrophobicContact CE2-CG 4.33Å; Y351-L355 PolarHBondContact O-N 3.18Å
352Q93.4Very high92.4Very high36 Ų3637 Ų3717%0.16823%0.225CC..Hα-helixtrans-67.9-39.3177-65.7-60.4-32.100112.6D348 I349 Y350 L355 F356 L391D348-Q352 PolarHBondContact O-N 3.02Å; D348-Q352 VanDerWaalsContact O-N 3.07Å; I349-Q352 PolarHBondContact O-N 3.38Å; Y350-Q352 VanDerWaalsContact C-N 3.32Å; Y350-Q352 PolarHBondContact O-N 2.92Å; Q352-L355 PolarHBondContact O-N 2.92Å; Q352-F356 WeakPolarHBondContact O-CB 3.37Å; Q352-F356 PolarHBondContact O-N 3.49Å; Q352-L391 HydrophobicContact CB-CD1 4.15Å; Q352-L391 HydrophobicContact CG-CD1 3.46Å; Q352-L391 VanDerWaalsContact CG-CD1 3.46Å
353A94.6Very high91.8Very high0 Ų036.1 Ų36.10%021%0.209CC..Hα-helixtrans-57.1-50.7171.200000111.2F155 H159 F167 I349 Y350 L355 F356 D357 A370F155-A353 HydrophobicContact CE2-CB 3.6Å; F155-A353 HydrophobicContact CZ-CB 4.19Å; H159-A353 HydrophobicContact CB-CB 4.37Å; H159-A353 WeakPolarHBondContact CD2-CB 3.33Å; H159-A353 WeakPolarHBondContact NE2-CA 3.46Å; H159-A353 PolarHBondContact NE2-O 2.78Å; F167-A353 HydrophobicContact CZ-CB 4.07Å; I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 3.36Å; Y350-A353 WeakPolarHBondContact O-CB 3.36Å; Y350-A353 PolarHBondContact O-N 3.48Å; A353-L355 VanDerWaalsContact C-N 3.32Å; A353-L355 PolarHBondContact O-N 3.07Å; A353-F356 WeakPolarHBondContact O-CB 3.29Å; A353-F356 PolarHBondContact O-N 2.94Å; A353-F356 VanDerWaalsContact O-N 3.13Å; A353-D357 WeakPolarHBondContact O-CB 3.32Å; A353-D357 PolarHBondContact O-N 2.81Å; A353-A370 HydrophobicContact CB-CB 4.19Å
354C95.3Very high91.5Very high0 Ų036.9 Ų36.90%021%0.213CC..Hα-helixtrans-54-48.4175.8177.60000111.7C340 L344 Y350 Y351 F356 D357 L358 S367 A370C340-C354 VanDerWaalsContact CA-SG 3.57Å; C340-C354 HydrophobicContact CB-CB 3.84Å; C340-C354 WeakPolarHBondContact CB-SG 3.4Å; C340-C354 WeakPolarHBondContact SG-CB 3.39Å; C340-C354 CovalentContact SG-SG 2.04Å; C340-C354 PolarHBondContact SG-SG 3.46Å; L344-C354 HydrophobicContact CD1-CB 3.66Å; Y350-C354 WeakPolarHBondContact O-CB 3.22Å; Y350-C354 PolarHBondContact O-N 2.82Å; Y351-C354 WeakPolarHBondContact O-CB 3.39Å; Y351-C354 PolarHBondContact O-N 3.13Å; C354-F356 PolarHBondContact O-N 2.63Å; C354-D357 PolarHBondContact O-N 3.28Å; C354-L358 WeakPolarHBondContact O-CB 3.02Å; C354-L358 VanDerWaalsContact O-CG 3.25Å; C354-L358 WeakPolarHBondContact O-CG 3.09Å; C354-L358 PolarHBondContact O-N 3.4Å; C354-S367 WeakPolarHBondContact SG-CB 3.35Å; C354-A370 HydrophobicContact CB-CB 3.91Å
355L93.4Very high91.1Very high3 Ų341.6 Ų41.62%0.01624%0.238CC..Hα-helixtrans-60.5-45.2178.1-80-179.8000112.5A336 H337 C340 Y351 Q352 A353 L358 L359A336-L355 HydrophobicContact CB-CD2 4.1Å; H337-L355 HydrophobicContact CB-CD2 4.38Å; H337-L355 WeakPolarHBondContact CE1-CD1 3.4Å; C340-L355 HydrophobicContact CB-CD2 4.16Å; C340-L355 HydrophobicContact CB-CG 4.28Å; C340-L355 PolarHBondContact SG-N 2.88Å; C340-L355 VanDerWaalsContact SG-N 3.44Å; Y351-L355 HydrophobicContact CD1-CD1 4.04Å; Y351-L355 HydrophobicContact CE1-CD1 3.36Å; Y351-L355 HydrophobicContact CE1-CG 4.15Å; Y351-L355 HydrophobicContact CE2-CD1 4.33Å; Y351-L355 HydrophobicContact CE2-CG 4.33Å; Y351-L355 PolarHBondContact O-N 3.18Å; Q352-L355 PolarHBondContact O-N 2.92Å; A353-L355 VanDerWaalsContact C-N 3.32Å; A353-L355 PolarHBondContact O-N 3.07Å; L355-L358 PolarHBondContact O-N 3.06Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CD1 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.29Å; L355-L359 PolarHBondContact O-N 2.84Å
356F91.1Very high90.9Very high29 Ų2938 Ų3813%0.12722%0.216CC..Hα-helixtrans-58.9-54179.3-175-82.7000110.7D157 H159 T169 L312 L315 Q352 A353 C354 L358 L359 A360D157-F356 HydrophobicContact CB-CD1 4.03Å; D157-F356 HydrophobicContact CB-CE1 3.75Å; H159-F356 AromaticContact CE1-CD1 3.6Å; H159-F356 AromaticContact CE1-CG 3.79Å; T169-F356 HydrophobicContact CG2-CD1 4Å; T169-F356 HydrophobicContact CG2-CD2 4.2Å; T169-F356 HydrophobicContact CG2-CE1 3.75Å; T169-F356 HydrophobicContact CG2-CE2 3.94Å; T169-F356 HydrophobicContact CG2-CG 4.23Å; T169-F356 HydrophobicContact CG2-CZ 3.72Å; L312-F356 HydrophobicContact CD1-CZ 3.76Å; L315-F356 HydrophobicContact CD1-CB 4.08Å; L315-F356 HydrophobicContact CD1-CD2 3.97Å; L315-F356 HydrophobicContact CD1-CG 4.43Å; L315-F356 HydrophobicContact CG-CD2 4.29Å; Q352-F356 WeakPolarHBondContact O-CB 3.37Å; Q352-F356 PolarHBondContact O-N 3.49Å; A353-F356 WeakPolarHBondContact O-CB 3.29Å; A353-F356 PolarHBondContact O-N 2.94Å; A353-F356 VanDerWaalsContact O-N 3.13Å; C354-F356 PolarHBondContact O-N 2.63Å; F356-L358 PolarHBondContact O-N 2.79Å; F356-L359 PolarHBondContact O-N 2.9Å; F356-A360 HydrophobicContact CD1-CB 4.49Å; F356-A360 HydrophobicContact CE1-CB 4.28Å; F356-A360 VanDerWaalsContact O-CB 3.24Å; F356-A360 WeakPolarHBondContact O-CB 3.28Å; F356-A360 PolarHBondContact O-N 2.82Å
357D90.6Very high91Very high4 Ų436.3 Ų36.32%0.02120%0.201CC..Hα-helixtrans-56.8-48179.5-77.3-18.4000111.4G156 D157 H159 A353 C354 L359 A360 T361G156-D357 WeakPolarHBondContact CA-OD2 3.44Å; D157-D357 WeakPolarHBondContact CB-OD1 3.47Å; D157-D357 PolarHBondContact N-OD1 3.13Å; H159-D357 IonicContact CD2-OD1 3.06Å; H159-D357 IonicContact CD2-OD2 3.95Å; H159-D357 IonicContact NE2-OD1 3.72Å; H159-D357 PolarHBondContact NE2-OD1 3.25Å; H159-D357 IonicContact NE2-OD2 2.72Å; A353-D357 WeakPolarHBondContact O-CB 3.32Å; A353-D357 PolarHBondContact O-N 2.81Å; C354-D357 PolarHBondContact O-N 3.28Å; D357-L359 PolarHBondContact O-N 2.78Å; D357-A360 PolarHBondContact O-N 2.91Å; D357-T361 WeakPolarHBondContact O-CB 3.46Å; D357-T361 WeakPolarHBondContact O-CG2 3.11Å; D357-T361 PolarHBondContact O-N 2.52Å; D357-T361 PolarHBondContact O-OG1 3.18Å
358L90.7Very high91.2Very high9 Ų931.1 Ų31.15%0.04719%0.188CC..Hα-helixtrans-63.6-39.6179.9-70.1-160.2000113.1A336 H339 C340 C354 L355 F356 G362 D363 L364A336-L358 HydrophobicContact CB-CB 4.08Å; A336-L358 HydrophobicContact CB-CD1 4.06Å; H339-L358 HydrophobicContact CB-CD1 4.37Å; C340-L358 VanDerWaalsContact SG-CD1 3.57Å; C354-L358 WeakPolarHBondContact O-CB 3.02Å; C354-L358 VanDerWaalsContact O-CG 3.25Å; C354-L358 WeakPolarHBondContact O-CG 3.09Å; C354-L358 PolarHBondContact O-N 3.4Å; L355-L358 PolarHBondContact O-N 3.06Å; F356-L358 PolarHBondContact O-N 2.79Å; L358-G362 VanDerWaalsContact O-CA 3.25Å; L358-G362 WeakPolarHBondContact O-CA 3.34Å; L358-G362 PolarHBondContact O-N 3.39Å; L358-D363 WeakPolarHBondContact CD2-O 3.45Å; L358-L364 HydrophobicContact CD1-CD2 3.87Å; L358-L364 HydrophobicContact CD2-CD2 4.42Å
359L88Confident91.3Very high69 Ų6931.4 Ų31.436%0.36119%0.19SC..Hα-helixtrans-74.2-32.2179.7-70.9171000111.9L315 A336 L355 F356 D357L315-L359 HydrophobicContact CD1-CD1 3.6Å; L315-L359 HydrophobicContact CD2-CD1 4.14Å; A336-L359 HydrophobicContact CB-CD2 4.29Å; A336-L359 HydrophobicContact CB-CG 4.47Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CD1 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.29Å; L355-L359 PolarHBondContact O-N 2.84Å; F356-L359 PolarHBondContact O-N 2.9Å; D357-L359 PolarHBondContact O-N 2.78Å
360A85Confident91.4Very high27 Ų2731.3 Ų31.322%0.22319%0.19CC..Hα-helixtrans-76.4-40.9179.300000112.4A199 F356 D357A199-A360 HydrophobicContact CB-CB 4.23Å; F356-A360 HydrophobicContact CD1-CB 4.49Å; F356-A360 HydrophobicContact CE1-CB 4.28Å; F356-A360 VanDerWaalsContact O-CB 3.24Å; F356-A360 WeakPolarHBondContact O-CB 3.28Å; F356-A360 PolarHBondContact O-N 2.82Å; D357-A360 PolarHBondContact O-N 2.91Å
361T84.2Confident91.5Very high38 Ų3833 Ų3323%0.23320%0.2CC..Hα-helixtrans-97.6-29-175.269.50000113.6D357 D363 S366D357-T361 WeakPolarHBondContact O-CB 3.46Å; D357-T361 WeakPolarHBondContact O-CG2 3.11Å; D357-T361 PolarHBondContact O-N 2.52Å; D357-T361 PolarHBondContact O-OG1 3.18Å; T361-D363 PolarHBondContact O-N 3.09Å; T361-D363 PolarHBondContact OG1-N 2.84Å; T361-S366 PolarHBondContact OG1-OG 2.83Å
362G84.8Confident91.5Very high70 Ų7032.9 Ų32.972%0.72220%0.203SC*.  trans70.98.9-168.300000114.3L358L358-G362 VanDerWaalsContact O-CA 3.25Å; L358-G362 WeakPolarHBondContact O-CA 3.34Å; L358-G362 PolarHBondContact O-N 3.39Å
363D85.1Confident91.7Very high67 Ų6731.4 Ų31.436%0.35820%0.197SC..  trans-107.3116.7-179-178.15000111.2L358 T361 N365 S366L358-D363 WeakPolarHBondContact CD2-O 3.45Å; T361-D363 PolarHBondContact O-N 3.09Å; T361-D363 PolarHBondContact OG1-N 2.84Å; D363-N365 PolarHBondContact O-N 3.26Å; D363-N365 VanDerWaalsContact O-N 3.12Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 3.09Å; D363-N365 PolarHBondContact OD1-ND2 3.46Å; D363-S366 WeakPolarHBondContact O-CB 3.06Å; D363-S366 PolarHBondContact O-N 3.49Å; D363-S366 PolarHBondContact O-OG 3.39Å
364L88.8Confident91.9Very high94 Ų9431.8 Ų31.849%0.49220%0.199SC..G310 helixtrans-57.9-26.2177.3-65.8-178.3000113H339 L358 S366 S367H339-L364 HydrophobicContact CB-CD2 4.43Å; L358-L364 HydrophobicContact CD1-CD2 3.87Å; L358-L364 HydrophobicContact CD2-CD2 4.42Å; L364-S366 PolarHBondContact O-N 3.37Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.3Å; L364-S367 PolarHBondContact O-OG 3.47Å
365N89.7Confident92Very high101 Ų10136.6 Ų36.654%0.5422%0.221SC..G310 helixtrans-68.1-21177.8-60.6-50.6000112.6D363 S367 T368D363-N365 PolarHBondContact O-N 3.26Å; D363-N365 VanDerWaalsContact O-N 3.12Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 3.09Å; D363-N365 PolarHBondContact OD1-ND2 3.46Å; N365-S367 PolarHBondContact O-N 3.4Å; N365-T368 WeakPolarHBondContact O-CB 3.22Å; N365-T368 WeakPolarHBondContact O-CG2 3.09Å; N365-T368 PolarHBondContact O-N 3.35Å; N365-T368 VanDerWaalsContact O-N 3.08Å; N365-T368 PolarHBondContact O-OG1 3.31Å
366S90.2Very high92.2Very high24 Ų2437 Ų3717%0.16822%0.223CC..G310 helixtrans-62.8-23.4176.2-56.20000112.2T361 D363 L364 T368 A369T361-S366 PolarHBondContact OG1-OG 2.83Å; D363-S366 WeakPolarHBondContact O-CB 3.06Å; D363-S366 PolarHBondContact O-N 3.49Å; D363-S366 PolarHBondContact O-OG 3.39Å; L364-S366 PolarHBondContact O-N 3.37Å; S366-T368 PolarHBondContact O-N 3.01Å; S366-T368 VanDerWaalsContact O-N 3.11Å; S366-A369 PolarHBondContact O-N 3.36Å
367S94.3Very high92.5Very high5 Ų535.6 Ų35.64%0.03522%0.217CC..Hα-helixtrans-58.7-23.6173.363.20000114.3H339 C354 L364 N365 A369 A370 V371H339-S367 PolarHBondContact NE2-OG 2.99Å; C354-S367 WeakPolarHBondContact SG-CB 3.35Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.3Å; L364-S367 PolarHBondContact O-OG 3.47Å; N365-S367 PolarHBondContact O-N 3.4Å; S367-A369 VanDerWaalsContact C-N 3.27Å; S367-A369 PolarHBondContact O-N 3.5Å; S367-A370 PolarHBondContact O-N 3.49Å; S367-V371 PolarHBondContact O-N 2.57Å
368T95.4Very high92.8Very high56 Ų5642.1 Ų42.134%0.34424%0.241SC..Hα-helixtrans-62.9-31.6-179.158.40000112.9N365 S366 A370 V371 A372N365-T368 WeakPolarHBondContact O-CB 3.22Å; N365-T368 WeakPolarHBondContact O-CG2 3.09Å; N365-T368 PolarHBondContact O-N 3.35Å; N365-T368 VanDerWaalsContact O-N 3.08Å; N365-T368 PolarHBondContact O-OG1 3.31Å; S366-T368 PolarHBondContact O-N 3.01Å; S366-T368 VanDerWaalsContact O-N 3.11Å; T368-A370 PolarHBondContact O-N 2.92Å; T368-V371 PolarHBondContact O-N 3.13Å; T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.44Å
369A95.9Very high93Very high7 Ų744.9 Ų44.96%0.05827%0.272CS..Hα-helixtrans-63.8-43.7179.300000111.8S366 S367 A373S366-A369 PolarHBondContact O-N 3.36Å; S367-A369 VanDerWaalsContact C-N 3.27Å; S367-A369 PolarHBondContact O-N 3.5Å; A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.32Å
370A97.2Very high93.5Very high0 Ų042.2 Ų42.20%026%0.258CS..Hα-helixtrans-67.5-37.8177.100000112.7F155 L344 Y350 A353 C354 S367 T368 L374F155-A370 HydrophobicContact CE2-CB 4.3Å; L344-A370 HydrophobicContact CD1-CB 3.95Å; Y350-A370 WeakPolarHBondContact O-CB 3.46Å; A353-A370 HydrophobicContact CB-CB 4.19Å; C354-A370 HydrophobicContact CB-CB 3.91Å; S367-A370 PolarHBondContact O-N 3.49Å; T368-A370 PolarHBondContact O-N 2.92Å; A370-L374 PolarHBondContact O-N 3.2Å; A370-L374 VanDerWaalsContact O-N 3.09Å
371V97.4Very high94Very high38 Ų3842.1 Ų42.123%0.2325%0.253CS..Hα-helixtrans-65.3-48.2175.9176.10000110.7L343 L344 S367 T368 A373 L374 E375L343-V371 HydrophobicContact CB-CG2 4.11Å; L343-V371 HydrophobicContact CD1-CG2 4.24Å; L344-V371 HydrophobicContact CD2-CG2 4.23Å; L344-V371 HydrophobicContact CG-CG2 4.37Å; S367-V371 PolarHBondContact O-N 2.57Å; T368-V371 PolarHBondContact O-N 3.13Å; V371-A373 VanDerWaalsContact C-N 3.32Å; V371-A373 PolarHBondContact O-N 3.32Å; V371-L374 PolarHBondContact O-N 3.31Å; V371-E375 WeakPolarHBondContact O-CG 3.25Å; V371-E375 PolarHBondContact O-N 2.97Å
372A96.8Very high94.4Very high14 Ų1445 Ų4512%0.11628%0.275CS..Hα-helixtrans-61.6-39.7178.700000112.2R273 T368 E375 D376R273-A372 PolarHBondContact NH1-O 2.04Å; T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.44Å; A372-E375 PolarHBondContact O-N 3.48Å; A372-D376 PolarHBondContact O-N 3.47Å
373A97.8Very high94.7Very high5 Ų544.5 Ų44.54%0.04126%0.256CS..Hα-helixtrans-66.2-36.5176.300000112.9F155 Y350 A369 V371 A377F155-A373 HydrophobicContact CB-CB 4.06Å; F155-A373 HydrophobicContact CD1-CB 3.39Å; F155-A373 HydrophobicContact CD2-CB 3.68Å; F155-A373 HydrophobicContact CE1-CB 3.63Å; F155-A373 HydrophobicContact CE2-CB 3.88Å; F155-A373 HydrophobicContact CG-CB 3.42Å; F155-A373 VanDerWaalsContact CG-CB 3.42Å; F155-A373 HydrophobicContact CZ-CB 3.86Å; Y350-A373 HydrophobicContact CD1-CB 4.15Å; Y350-A373 HydrophobicContact CE1-CB 3.96Å; A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.32Å; V371-A373 VanDerWaalsContact C-N 3.32Å; V371-A373 PolarHBondContact O-N 3.32Å; A373-A377 VanDerWaalsContact O-CB 3.3Å; A373-A377 WeakPolarHBondContact O-CB 3.34Å; A373-A377 PolarHBondContact O-N 3.11Å
374L98.1Very high94.9Very high7 Ų745.7 Ų45.74%0.03727%0.267CS..Hα-helixtrans-66.7-40.2173.5173.460.4000111.6L344 Y350 A370 V371 A377 R378 V387L344-L374 HydrophobicContact CD2-CB 4.47Å; L344-L374 HydrophobicContact CD2-CD2 3.52Å; Y350-L374 HydrophobicContact CD1-CB 3.95Å; Y350-L374 HydrophobicContact CD2-CB 4.08Å; Y350-L374 HydrophobicContact CD2-CD1 3.72Å; Y350-L374 HydrophobicContact CD2-CG 4.35Å; Y350-L374 HydrophobicContact CE1-CB 4.24Å; Y350-L374 HydrophobicContact CE2-CB 4.37Å; Y350-L374 HydrophobicContact CE2-CD1 3.68Å; Y350-L374 HydrophobicContact CG-CB 3.88Å; Y350-L374 HydrophobicContact CG-CD1 4.4Å; A370-L374 PolarHBondContact O-N 3.2Å; A370-L374 VanDerWaalsContact O-N 3.09Å; V371-L374 PolarHBondContact O-N 3.31Å; L374-A377 PolarHBondContact O-N 3.08Å; L374-R378 HydrophobicContact CD1-CG 4.31Å; L374-R378 VanDerWaalsContact O-CG 3.31Å; L374-R378 WeakPolarHBondContact O-CG 3.39Å; L374-R378 PolarHBondContact O-N 2.88Å; L374-V387 HydrophobicContact CD1-CG1 3.63Å
375E96.8Very high94.9Very high101 Ų10147.6 Ų47.647%0.47228%0.278SS..Hα-helixtrans-61.9-45.7175.7-71.7175.8175.800111.9R273 V371 A372 R378 G379R273-E375 IonicContact NH1-OE2 4Å; V371-E375 WeakPolarHBondContact O-CG 3.25Å; V371-E375 PolarHBondContact O-N 2.97Å; A372-E375 PolarHBondContact O-N 3.48Å; E375-R378 PolarHBondContact O-N 3.43Å; E375-G379 PolarHBondContact O-N 3Å; E375-G379 VanDerWaalsContact O-N 3.17Å
376D97.3Very high94.9Very high12 Ų1248 Ų486%0.06428%0.275CS..Hα-helixtrans-61.3-45.9175.6-71.3-19.2000111.3R273 S282 A372 R378 G379 M380R273-D376 IonicContact CZ-OD1 3.18Å; R273-D376 IonicContact NE-OD1 3.91Å; R273-D376 PolarHBondContact NE-OD1 3.34Å; R273-D376 IonicContact NE-OD2 3.38Å; R273-D376 IonicContact NH1-OD1 3.94Å; R273-D376 PolarHBondContact NH1-OD1 3.33Å; R273-D376 IonicContact NH2-OD1 3.71Å; R273-D376 PolarHBondContact NH2-OD1 3.28Å; S282-D376 WeakPolarHBondContact CB-OD2 3.33Å; S282-D376 WeakPolarHBondContact OG-CB 3.44Å; S282-D376 PolarHBondContact OG-OD2 3.06Å; A372-D376 PolarHBondContact O-N 3.47Å; D376-R378 VanDerWaalsContact C-N 3.29Å; D376-R378 PolarHBondContact O-N 3.29Å; D376-G379 PolarHBondContact O-N 3.48Å; D376-M380 WeakPolarHBondContact O-CB 3.42Å; D376-M380 VanDerWaalsContact O-CG 3.31Å; D376-M380 WeakPolarHBondContact O-CG 3.27Å; D376-M380 PolarHBondContact O-N 2.88Å
377A97.9Very high95.2Very high0 Ų047.1 Ų47.10%027%0.269CS..Hα-helixtrans-59.6-39178.400000112.2Y350 A373 L374 G379 M380 I381 V387Y350-A377 WeakPolarHBondContact OH-CB 3.45Å; A373-A377 VanDerWaalsContact O-CB 3.3Å; A373-A377 WeakPolarHBondContact O-CB 3.34Å; A373-A377 PolarHBondContact O-N 3.11Å; L374-A377 PolarHBondContact O-N 3.08Å; A377-G379 VanDerWaalsContact C-N 3.32Å; A377-G379 PolarHBondContact O-N 3.41Å; A377-M380 PolarHBondContact O-N 2.84Å; A377-I381 HydrophobicContact CB-CD1 3.94Å; A377-I381 VanDerWaalsContact O-CB 3.27Å; A377-I381 WeakPolarHBondContact O-CB 3.48Å; A377-I381 VanDerWaalsContact O-CG1 3.32Å; A377-I381 WeakPolarHBondContact O-CG1 3.46Å; A377-I381 PolarHBondContact O-N 2.8Å; A377-V387 HydrophobicContact CB-CG1 4.46Å
378R97.2Very high95.1Very high140 Ų14049.8 Ų49.853%0.52828%0.281SS..Hα-helixtrans-63.5-35.4174.1-75170.2174.2167.5-1.1112.9L374 E375 D376 V387L374-R378 HydrophobicContact CD1-CG 4.31Å; L374-R378 VanDerWaalsContact O-CG 3.31Å; L374-R378 WeakPolarHBondContact O-CG 3.39Å; L374-R378 PolarHBondContact O-N 2.88Å; E375-R378 PolarHBondContact O-N 3.43Å; D376-R378 VanDerWaalsContact C-N 3.29Å; D376-R378 PolarHBondContact O-N 3.29Å; R378-V387 HydrophobicContact CG-CG1 3.8Å
379G95.9Very high94.9Very high67 Ų6748.5 Ų48.569%0.69127%0.271SS*.Hα-helixtrans-78.2-25176.400000113.8E375 D376 A377E375-G379 PolarHBondContact O-N 3Å; E375-G379 VanDerWaalsContact O-N 3.17Å; D376-G379 PolarHBondContact O-N 3.48Å; A377-G379 VanDerWaalsContact C-N 3.32Å; A377-G379 PolarHBondContact O-N 3.41Å
380M97.3Very high94.4Very high14 Ų1454.4 Ų54.47%0.06930%0.301CS..Hα-helixtrans-103.6-25.8-171.4-71.1-169.6-171.800115V271 R284 D376 A377V271-M380 HydrophobicContact CB-CE 3.66Å; V271-M380 HydrophobicContact CG2-CE 3.27Å; R284-M380 HydrophobicContact CB-CB 3.97Å; R284-M380 HydrophobicContact CB-CG 3.95Å; R284-M380 HydrophobicContact CB-SD 3.91Å; R284-M380 VanDerWaalsContact CD-O 3.32Å; R284-M380 WeakPolarHBondContact CD-O 3.21Å; R284-M380 HydrophobicContact CG-CB 4.42Å; D376-M380 WeakPolarHBondContact O-CB 3.42Å; D376-M380 VanDerWaalsContact O-CG 3.31Å; D376-M380 WeakPolarHBondContact O-CG 3.27Å; D376-M380 PolarHBondContact O-N 2.88Å; A377-M380 PolarHBondContact O-N 2.84Å
381I96.4Very high93Very high24 Ų2458.4 Ų58.412%0.12332%0.322CS..  trans-96.4120-179.3-59.8169000109.2H151 A377 D383 K386 V387H151-I381 HydrophobicContact CB-CD1 4.18Å; H151-I381 HydrophobicContact CB-CG1 3.6Å; A377-I381 HydrophobicContact CB-CD1 3.94Å; A377-I381 VanDerWaalsContact O-CB 3.27Å; A377-I381 WeakPolarHBondContact O-CB 3.48Å; A377-I381 VanDerWaalsContact O-CG1 3.32Å; A377-I381 WeakPolarHBondContact O-CG1 3.46Å; A377-I381 PolarHBondContact O-N 2.8Å; I381-D383 VanDerWaalsContact CG2-O 3.29Å; I381-D383 WeakPolarHBondContact CG2-O 3.18Å; I381-K386 HydrophobicContact CG2-CB 3.93Å; I381-V387 HydrophobicContact CB-CG2 4.01Å; I381-V387 HydrophobicContact CD1-CG2 4.31Å; I381-V387 HydrophobicContact CG2-CG2 4.18Å
382S91.1Very high90.9Very high98 Ų9862.2 Ų62.269%0.68535%0.345SS*.SBendtrans-72.3-32.4-178.5-52.10000113.8P384S382-P384 WeakPolarHBondContact O-CD 3.32Å
383D91.8Very high88.2Confident61 Ų6164.7 Ų64.733%0.32637%0.372SS..  trans-90.5109.2177.1-177.1-4.3000110.3I381 N385 K386I381-D383 VanDerWaalsContact CG2-O 3.29Å; I381-D383 WeakPolarHBondContact CG2-O 3.18Å; D383-N385 PolarHBondContact O-N 3.24Å; D383-N385 VanDerWaalsContact O-N 3.12Å; D383-N385 WeakPolarHBondContact OD1-CB 3.32Å; D383-N385 PolarHBondContact OD1-N 2.74Å; D383-N385 PolarHBondContact OD1-ND2 3.17Å; D383-K386 HydrophobicContact CB-CB 4.29Å; D383-K386 HydrophobicContact CB-CD 4.17Å; D383-K386 HydrophobicContact CB-CG 4.07Å; D383-K386 PolarHBondContact O-N 2.87Å
384P89.1Confident85.1Confident91 Ų9172.3 Ų72.359%0.59141%0.412SS*.Hα-helixtrans-61.8-24.3-177.426.4-35000112.8S382 K386 V387S382-P384 WeakPolarHBondContact O-CD 3.32Å; P384-K386 VanDerWaalsContact C-N 3.25Å; P384-K386 PolarHBondContact O-N 3.24Å; P384-V387 PolarHBondContact O-N 2.79Å
385N88.6Confident82Confident135 Ų13575.7 Ų75.772%0.72244%0.441SS*.Hα-helixtrans-72.3-22.7177.6-56.3-59.5000112.3D383D383-N385 PolarHBondContact O-N 3.24Å; D383-N385 VanDerWaalsContact O-N 3.12Å; D383-N385 WeakPolarHBondContact OD1-CB 3.32Å; D383-N385 PolarHBondContact OD1-N 2.74Å; D383-N385 PolarHBondContact OD1-ND2 3.17Å
386K91.2Very high79.1Confident108 Ų10877.9 Ų77.947%0.4746%0.456SS..Hα-helixtrans-87.6-13.9176.9-66.8-172.8-178.9-171.60112.9R161 I381 D383 P384 H388R161-K386 PolarHBondContact NH1-O 2.89Å; R161-K386 PolarHBondContact NH2-O 2.9Å; I381-K386 HydrophobicContact CG2-CB 3.93Å; D383-K386 HydrophobicContact CB-CB 4.29Å; D383-K386 HydrophobicContact CB-CD 4.17Å; D383-K386 HydrophobicContact CB-CG 4.07Å; D383-K386 PolarHBondContact O-N 2.87Å; P384-K386 VanDerWaalsContact C-N 3.25Å; P384-K386 PolarHBondContact O-N 3.24Å; K386-H388 VanDerWaalsContact C-N 3.28Å; K386-H388 PolarHBondContact O-N 2.91Å
387V95Very high76.2Confident7 Ų781.2 Ų81.24%0.04249%0.493CS..Hα-helixtrans-57.9-47.4176.3174.80000109.8R161 Y350 L374 A377 R378 I381 P384R161-V387 PolarHBondContact NH1-O 3.05Å; Y350-V387 WeakPolarHBondContact CE2-O 3.24Å; L374-V387 HydrophobicContact CD1-CG1 3.63Å; A377-V387 HydrophobicContact CB-CG1 4.46Å; R378-V387 HydrophobicContact CG-CG1 3.8Å; I381-V387 HydrophobicContact CB-CG2 4.01Å; I381-V387 HydrophobicContact CD1-CG2 4.31Å; I381-V387 HydrophobicContact CG2-CG2 4.18Å; P384-V387 PolarHBondContact O-N 2.79Å
388H93.8Very high73.3Confident61 Ų6185.3 Ų85.328%0.28252%0.522SS..SBendtrans-93.6120.4-178.6-65.5-67.3000111.1A346 D348 K386A346-H388 WeakPolarHBondContact CB-ND1 3.5Å; D348-H388 HydrophobicContact CB-CB 4.41Å; D348-H388 VanDerWaalsContact OD2-CA 3.29Å; D348-H388 WeakPolarHBondContact OD2-CA 3.42Å; D348-H388 WeakPolarHBondContact OD2-CB 3.46Å; D348-H388 IonicContact OD2-CE1 2.7Å; D348-H388 IonicContact OD2-CG 2.81Å; D348-H388 IonicContact OD2-ND1 3.41Å; D348-H388 PolarHBondContact OD2-ND1 3.43Å; K386-H388 VanDerWaalsContact C-N 3.28Å; K386-H388 PolarHBondContact O-N 2.91Å
389L90.1Very high70.6Confident29 Ų2981.9 Ų81.915%0.15252%0.52CS..  trans-104.3106.3175.1-57.7177.1000108.9R161 D165 D348 I349 L391R161-L389 HydrophobicContact CG-CD1 4.31Å; D165-L389 HydrophobicContact CB-CD1 3.91Å; D165-L389 HydrophobicContact CB-CD2 3.93Å; D165-L389 VanDerWaalsContact O-CD1 3.31Å; D165-L389 WeakPolarHBondContact O-CD1 3.31Å; D348-L389 WeakPolarHBondContact CB-O 3.43Å; I349-L389 HydrophobicContact CD1-CB 4.16Å; I349-L389 HydrophobicContact CD1-CD1 3.85Å; I349-L389 HydrophobicContact CD1-CG 4.24Å; I349-L389 HydrophobicContact CG1-CB 4.01Å; I349-L389 HydrophobicContact CG2-CB 3.9Å; I349-L389 WeakPolarHBondContact CG2-O 3.49Å; I349-L389 PolarHBondContact N-O 2.85Å; L389-L391 PolarHBondContact O-N 3.34Å
390L84.6Confident68.1Low131 Ų13183.6 Ų83.669%0.68652%0.518SS*.  trans-72.3124171.2-63.9176.4000108D348 V392D348-L390 HydrophobicContact CB-CD2 4.43Å; L390-V392 PolarHBondContact O-N 3.19Å
391L67.8Low65.7Low83 Ų8386.4 Ų86.444%0.43554%0.538SS..  trans-61.3108.7169.6-80.3143.9000107.7I349 Q352 L389 G393I349-L391 HydrophobicContact CG2-CD1 4.36Å; I349-L391 HydrophobicContact CG2-CG 4.18Å; Q352-L391 HydrophobicContact CB-CD1 4.15Å; Q352-L391 HydrophobicContact CG-CD1 3.46Å; Q352-L391 VanDerWaalsContact CG-CD1 3.46Å; L389-L391 PolarHBondContact O-N 3.34Å; L391-G393 PolarHBondContact O-N 2.86Å
392V53.7Low63.3Low119 Ų11990.3 Ų90.372%0.72156%0.559SS**  trans-65.597164.7-178.50000104.8L390 N394 A395L390-V392 PolarHBondContact O-N 3.19Å; V392-N394 PolarHBondContact O-N 2.91Å; V392-A395 HydrophobicContact CG1-CB 4.35Å
393G40Very low61.6Low66 Ų6689.3 Ų89.368%0.6855%0.55SS**  trans-55114.3172.400000106.9L391 A395L391-G393 PolarHBondContact O-N 2.86Å; G393-A395 VanDerWaalsContact C-N 3.26Å; G393-A395 PolarHBondContact O-N 3.41Å
394N34.5Very low59.8Low164 Ų16492 Ų9288%0.87756%0.564SS**  trans-15.781.6-177-74.8-25.8000113.3V392 D396V392-N394 PolarHBondContact O-N 2.91Å; N394-D396 VanDerWaalsContact C-N 3.35Å; N394-D396 PolarHBondContact O-N 3.48Å
395A32.1Very low58.2Low79 Ų7992.6 Ų92.665%0.65356%0.561SS**  trans-81.798.4164.100000103.3V392 G393 G397V392-A395 HydrophobicContact CG1-CB 4.35Å; G393-A395 VanDerWaalsContact C-N 3.26Å; G393-A395 PolarHBondContact O-N 3.41Å; A395-G397 PolarHBondContact O-N 2.88Å
396D35.5Very low56.9Low147 Ų14791.2 Ų91.279%0.78655%0.553SS**  trans26.893169.7-78.5-33.3000114.3N394 S398N394-D396 VanDerWaalsContact C-N 3.35Å; N394-D396 PolarHBondContact O-N 3.48Å; D396-S398 PolarHBondContact O-N 3.06Å
397G36.2Very low55.5Low81 Ų8188.4 Ų88.484%0.83555%0.55SS*.  trans-62.671.1149.100000108.6A395 S399A395-G397 PolarHBondContact O-N 2.88Å; G397-S399 PolarHBondContact O-N 3.19Å
398S36.5Very low54.1Low87 Ų8792.3 Ų92.361%0.60857%0.574SS**  trans-63.385.8160620000105.6D396 P400D396-S398 PolarHBondContact O-N 3.06Å; S398-P400 VanDerWaalsContact O-N 3.11Å
399S41.2Very low52.5Low68 Ų6891.5 Ų91.548%0.47658%0.578SS.*  trans-45.3122.1164.2-176.60000106.2G397 C401 L402 P403G397-S399 PolarHBondContact O-N 3.19Å; S399-C401 PolarHBondContact O-N 2.82Å; S399-L402 PolarHBondContact O-N 3.34Å; S399-P403 WeakPolarHBondContact O-CD 3.18Å
400P43.6Very low51.4Low103 Ų10394.1 Ų94.167%0.66959%0.594SS**THydrogen-bonded Turntrans-60.2-6.4-175.322.6-32.3000112.6S398S398-P400 VanDerWaalsContact O-N 3.11Å
401C46.6Very low50.3Low72 Ų7293 Ų9349%0.48659%0.589SS.*Hα-helixtrans-71.4-35.7173.1-138.80000113.7S399 L404 I405S399-C401 PolarHBondContact O-N 2.82Å; C401-L404 PolarHBondContact O-N 3.06Å; C401-I405 HydrophobicContact CB-CD1 4.26Å; C401-I405 WeakPolarHBondContact O-CB 3.27Å; C401-I405 WeakPolarHBondContact O-CD1 3.48Å; C401-I405 WeakPolarHBondContact O-CG1 3.48Å; C401-I405 PolarHBondContact O-N 3.33Å
402L47.1Very low49.9Very low106 Ų10691.2 Ų91.256%0.55558%0.583SS**Hα-helixtrans-65.6-47.5-176.2-111.7153.3000114.2S399 L404 I405 L406S399-L402 PolarHBondContact O-N 3.34Å; L402-L404 VanDerWaalsContact C-N 3.29Å; L402-L404 PolarHBondContact O-N 2.63Å; L402-I405 PolarHBondContact O-N 3.45Å; L402-L406 WeakPolarHBondContact O-CG 3.25Å; L402-L406 PolarHBondContact O-N 2.97Å
403P54.4Low50Low77 Ų7792.3 Ų92.350%0.558%0.58SS.*Hα-helixtrans-67.7-29.9174.524.6-31.9000112.3S399 A407S399-P403 WeakPolarHBondContact O-CD 3.18Å; P403-A407 WeakPolarHBondContact O-CB 3.47Å; P403-A407 PolarHBondContact O-N 3.04Å
404L54.1Low50.9Low118 Ų11895 Ų9562%0.61858%0.575SS**Hα-helixtrans-72.5-39.6177.2-132.8119.9000112C401 L402 A407 V408C401-L404 PolarHBondContact O-N 3.06Å; L402-L404 VanDerWaalsContact C-N 3.29Å; L402-L404 PolarHBondContact O-N 2.63Å; L404-A407 PolarHBondContact O-N 2.91Å; L404-V408 WeakPolarHBondContact O-CB 3.14Å; L404-V408 VanDerWaalsContact O-CG2 3.25Å; L404-V408 WeakPolarHBondContact O-CG2 3.38Å; L404-V408 PolarHBondContact O-N 3.37Å
405I56.6Low52Low104 Ų10492.2 Ų92.253%0.53356%0.559SS.*Hα-helixtrans-64.7-42.2174.3-70.4162.8000110.2C401 L402 V408 A409C401-I405 HydrophobicContact CB-CD1 4.26Å; C401-I405 WeakPolarHBondContact O-CB 3.27Å; C401-I405 WeakPolarHBondContact O-CD1 3.48Å; C401-I405 WeakPolarHBondContact O-CG1 3.48Å; C401-I405 PolarHBondContact O-N 3.33Å; L402-I405 PolarHBondContact O-N 3.45Å; I405-V408 PolarHBondContact O-N 3.39Å; I405-A409 VanDerWaalsContact O-CB 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.33Å; I405-A409 PolarHBondContact O-N 3.31Å
406L59.6Low52.9Low106 Ų10694 Ų9456%0.55556%0.558SS**Hα-helixtrans-65.5-41.4175.4-75.3167.3000111.8L402 A409 V410L402-L406 WeakPolarHBondContact O-CG 3.25Å; L402-L406 PolarHBondContact O-N 2.97Å; L406-A409 PolarHBondContact O-N 3.31Å; L406-V410 WeakPolarHBondContact O-CB 3.25Å; L406-V410 VanDerWaalsContact O-CG2 3.26Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 2.67Å
407A62.7Low53.9Low48 Ų4889.7 Ų89.740%0.39754%0.542SS..Hα-helixtrans-63.7-42.5176.300000112.1P403 L404 V410 L411P403-A407 WeakPolarHBondContact O-CB 3.47Å; P403-A407 PolarHBondContact O-N 3.04Å; L404-A407 PolarHBondContact O-N 2.91Å; A407-V410 PolarHBondContact O-N 2.92Å; A407-L411 WeakPolarHBondContact O-CB 3.2Å; A407-L411 WeakPolarHBondContact O-CD1 3.38Å; A407-L411 VanDerWaalsContact O-CG 3.31Å; A407-L411 WeakPolarHBondContact O-CG 3.34Å; A407-L411 PolarHBondContact O-N 3.43Å
408V65.6Low54.7Low90 Ų9091.2 Ų91.255%0.54553%0.531SS..Hα-helixtrans-67.7-38.6176.91730000111.3L404 I405 L411 S412L404-V408 WeakPolarHBondContact O-CB 3.14Å; L404-V408 VanDerWaalsContact O-CG2 3.25Å; L404-V408 WeakPolarHBondContact O-CG2 3.38Å; L404-V408 PolarHBondContact O-N 3.37Å; I405-V408 PolarHBondContact O-N 3.39Å; V408-L411 PolarHBondContact O-N 2.91Å; V408-S412 WeakPolarHBondContact O-CB 3.49Å; V408-S412 PolarHBondContact O-N 3.19Å; V408-S412 PolarHBondContact O-OG 3.25Å
409A60.5Low55.3Low44 Ų4496.8 Ų96.836%0.36454%0.538SS..Hα-helixtrans-63.2-46.5175.700000111.5I405 L406 S412 E413I405-A409 VanDerWaalsContact O-CB 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.33Å; I405-A409 PolarHBondContact O-N 3.31Å; L406-A409 PolarHBondContact O-N 3.31Å; A409-S412 PolarHBondContact O-N 2.99Å; A409-S412 PolarHBondContact O-OG 3.12Å; A409-E413 WeakPolarHBondContact O-CG 3.44Å; A409-E413 PolarHBondContact O-N 3.19Å
410V67.1Low55.9Low83 Ų8398.3 Ų98.350%0.50355%0.545SS..Hα-helixtrans-66.4-39.3178.5172.40000111.7L406 A407 S412 E413 H414L406-V410 WeakPolarHBondContact O-CB 3.25Å; L406-V410 VanDerWaalsContact O-CG2 3.26Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 2.67Å; A407-V410 PolarHBondContact O-N 2.92Å; V410-S412 VanDerWaalsContact C-N 3.33Å; V410-S412 PolarHBondContact O-N 3.12Å; V410-E413 PolarHBondContact O-N 3.33Å; V410-H414 PolarHBondContact O-CD2 2.97Å; V410-H414 PolarHBondContact O-N 3.05Å
411L61.7Low56.2Low108 Ų10896.5 Ų96.557%0.56555%0.545SS*.Hα-helixtrans-65.8-36.1174.4-78.4162.3000112A407 V408 L415A407-L411 WeakPolarHBondContact O-CB 3.2Å; A407-L411 WeakPolarHBondContact O-CD1 3.38Å; A407-L411 VanDerWaalsContact O-CG 3.31Å; A407-L411 WeakPolarHBondContact O-CG 3.34Å; A407-L411 PolarHBondContact O-N 3.43Å; V408-L411 PolarHBondContact O-N 2.91Å; L411-L415 WeakPolarHBondContact O-CB 3.29Å; L411-L415 WeakPolarHBondContact O-CD1 3.43Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 2.93Å
412S58.8Low56.3Low45 Ų45100.8 Ų100.832%0.31556%0.558SS.*Hα-helixtrans-69.3-38.3177.4740000112.8V408 A409 V410 L416V408-S412 WeakPolarHBondContact O-CB 3.49Å; V408-S412 PolarHBondContact O-N 3.19Å; V408-S412 PolarHBondContact O-OG 3.25Å; A409-S412 PolarHBondContact O-N 2.99Å; A409-S412 PolarHBondContact O-OG 3.12Å; V410-S412 VanDerWaalsContact C-N 3.33Å; V410-S412 PolarHBondContact O-N 3.12Å; S412-L416 WeakPolarHBondContact O-CB 2.99Å; S412-L416 PolarHBondContact O-N 2.93Å
413E56.1Low56.1Low142 Ų142101.4 Ų101.466%0.66457%0.57SS**Hα-helixtrans-65.3-43.3173.9-74.9-95.9145.900111.3A409 V410 L416 A417A409-E413 WeakPolarHBondContact O-CG 3.44Å; A409-E413 PolarHBondContact O-N 3.19Å; V410-E413 PolarHBondContact O-N 3.33Å; E413-L416 PolarHBondContact O-N 3.18Å; E413-A417 WeakPolarHBondContact O-CB 3.25Å; E413-A417 PolarHBondContact O-N 2.9Å
414H59.3Low55.4Low124 Ų124109.3 Ų109.357%0.57461%0.607SS**Hα-helixtrans-67-38.2177.3-89.7-59.2000113.3V410 L416 A417 L418V410-H414 PolarHBondContact O-CD2 2.97Å; V410-H414 PolarHBondContact O-N 3.05Å; H414-L416 VanDerWaalsContact C-N 3.35Å; H414-A417 PolarHBondContact O-N 3.02Å; H414-L418 WeakPolarHBondContact O-CB 3.42Å; H414-L418 WeakPolarHBondContact O-CD1 3.36Å; H414-L418 WeakPolarHBondContact O-CG 3.49Å; H414-L418 PolarHBondContact O-N 3.37Å
415L55.8Low55.5Low104 Ų104108.9 Ų108.955%0.54561%0.606SS.*Hα-helixtrans-67.9-34.9174.4-81.7159.5000112L411 L418 W419L411-L415 WeakPolarHBondContact O-CB 3.29Å; L411-L415 WeakPolarHBondContact O-CD1 3.43Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 2.93Å; L415-L418 PolarHBondContact O-N 3.1Å; L415-W419 PolarHBondContact O-N 3.04Å; L415-W419 VanDerWaalsContact O-N 3.09Å
416L52.5Low55.4Low118 Ų118109.2 Ų109.262%0.61861%0.61SS**Hα-helixtrans-69.9-37.7175.3-14881.5000112S412 E413 H414 W419 T420S412-L416 WeakPolarHBondContact O-CB 2.99Å; S412-L416 PolarHBondContact O-N 2.93Å; E413-L416 PolarHBondContact O-N 3.18Å; H414-L416 VanDerWaalsContact C-N 3.35Å; L416-W419 PolarHBondContact O-N 2.98Å; L416-T420 WeakPolarHBondContact O-CG2 3.36Å; L416-T420 PolarHBondContact O-N 3.14Å; L416-T420 PolarHBondContact O-OG1 3.09Å
417A55.3Low55.2Low55 Ų55109.3 Ų109.346%0.45561%0.613SS.*Hα-helixtrans-66.5-38.7173.900000112.2E413 H414 T420 G421E413-A417 WeakPolarHBondContact O-CB 3.25Å; E413-A417 PolarHBondContact O-N 2.9Å; H414-A417 PolarHBondContact O-N 3.02Å; A417-T420 WeakPolarHBondContact CA-OG1 3.15Å; A417-T420 PolarHBondContact O-N 3.03Å; A417-T420 PolarHBondContact O-OG1 3.19Å; A417-G421 PolarHBondContact O-N 3.04Å
418L53.8Low54.7Low114 Ų114112.9 Ų112.960%0.59763%0.626SS**Hα-helixtrans-66.4-36.4175-81.8158.2000112.6H414 L415H414-L418 WeakPolarHBondContact O-CB 3.42Å; H414-L418 WeakPolarHBondContact O-CD1 3.36Å; H414-L418 WeakPolarHBondContact O-CG 3.49Å; H414-L418 PolarHBondContact O-N 3.37Å; L415-L418 PolarHBondContact O-N 3.1Å
419W49.6Very low54.1Low203 Ų203114.4 Ų114.477%0.76963%0.631SS**Hα-helixtrans-75-28.9176.7-95.171.9000113.9L415 L416L415-W419 PolarHBondContact O-N 3.04Å; L415-W419 VanDerWaalsContact O-N 3.09Å; L416-W419 PolarHBondContact O-N 2.98Å
420T53.6Low53.6Low101 Ų101119.1 Ų119.162%0.6265%0.649SS**Hα-helixtrans-85.5-21.6177.6480000112.9L416 A417 Q422L416-T420 WeakPolarHBondContact O-CG2 3.36Å; L416-T420 PolarHBondContact O-N 3.14Å; L416-T420 PolarHBondContact O-OG1 3.09Å; A417-T420 WeakPolarHBondContact CA-OG1 3.15Å; A417-T420 PolarHBondContact O-N 3.03Å; A417-T420 PolarHBondContact O-OG1 3.19Å; T420-Q422 VanDerWaalsContact C-N 3.26Å; T420-Q422 PolarHBondContact O-N 3.41Å
421G49.4Very low52.7Low65 Ų65121.6 Ų121.667%0.6766%0.659SS**THydrogen-bonded Turntrans-76.90.2173.600000115.8A417A417-G421 PolarHBondContact O-N 3.04Å
422Q48Very low52Low161 Ų161122.7 Ų122.775%0.75267%0.666SS**THydrogen-bonded Turntrans-11010.7179.9-86.4169.4-2100114.6T420T420-Q422 VanDerWaalsContact C-N 3.26Å; T420-Q422 PolarHBondContact O-N 3.41Å
423C43.8Very low51.4Low120 Ų120129.2 Ų129.281%0.81170%0.695SS**  trans-102.390.4167.2-71.80000109.9
424L39.8Very low51Low243 Ų243128 Ų128100%1.27270%0.698SS**  trans-111.30162-126.4151.1000108.5

Retrieved 424 of 424 residues in 142.3 ms (Link to these results)