A0A060WHK2_ONCMY Loading...

Si:ch211-214c7.5

AlphaFold DB , UniProt , Accession A0A060WHK2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110493588, Length 347 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
1M36.2Very low36.5Very low231 Ų231155.9 Ų155.9100%1.13882%0.819SS**  084.50-82.6166.4162.300105.5
2E35.8Very low36.2Very low154 Ų154152.9 Ų152.972%0.7282%0.82SS**  84.3106.995.8-84.8-167.2119.400109.9
3Q36.5Very low36.3Very low180 Ų180149.2 Ų149.284%0.84181%0.813SS**  70.1138.594.6-72.4-171.347.500111.3
4G32.2Very low37.1Very low70 Ų70147.3 Ų147.372%0.72281%0.812SS**  cis-157.9-158.75.300000106.3
5E36.3Very low36.9Very low189 Ų189147.5 Ų147.588%0.88381%0.812SS**  cis-168.6156.75.6-118.1-178.2137.100106.7
6T38.1Very low36.8Very low121 Ų121147.7 Ų147.774%0.74282%0.819SS**  trans-63.6163.9175.343.80000116.7
7K35.4Very low36.7Very low181 Ų181148.1 Ų148.179%0.78782%0.819SS**  trans148.5144.5138-84.8-179.8168.8168.90109.7
8N32.3Very low36.4Very low135 Ų135146.6 Ų146.672%0.72282%0.821SS**  cis-170.7146.73.9-101.6-19.3000108.3
9N35Very low36.5Very low144 Ų144145.7 Ų145.777%0.7782%0.819SS**  trans-72.2169.6156.6-82.9-12.9000110.5
10P47.9Very low36.3Very low128 Ų128142.6 Ų142.683%0.83181%0.812SS**  -143.8147.995.732.2-13.9000115.6
11E35.6Very low36Very low182 Ų182144 Ų14485%0.8581%0.812SS**  trans-76.4152.4158.1-78.6170.4118.500111.3
12S33.3Very low35.9Very low120 Ų120138.9 Ų138.984%0.83979%0.793SS**  trans-159.8121.8147.155.90000110.8
13S37.3Very low35.7Very low104 Ų104140.8 Ų140.873%0.72780%0.802SS**  trans-75.2171.116449.60000111.1
14P46.9Very low35.6Very low123 Ų123139 Ų13980%0.79980%0.798SS**  -147.7161.588.735.1-15.6000116.3
15D35.3Very low35.7Very low150 Ų150141.4 Ų141.480%0.80280%0.804SS**  trans-62.7152.9171-60.5-61000114.1
16T35.4Very low35.8Very low151 Ų151136.5 Ų136.593%0.92680%0.796SS**  trans-147.6123.7141.429.90000110.6
17D33.6Very low35.7Very low154 Ų154139.1 Ų139.182%0.82481%0.805SS**  trans-100.5138176.3-151.72000108
18S31.8Very low35.5Very low121 Ų121134.6 Ų134.685%0.84680%0.801SS**  trans-162.4118.9160.7-162.40000111.8
19V38.3Very low36.3Very low131 Ų131134.2 Ų134.279%0.79481%0.806SS**  trans-107.4133.3175.9177.40000108.3
20A32Very low35.9Very low83 Ų83133 Ų13369%0.68681%0.808SS**  trans-162.9121.5153.700000113.8
21H30.4Very low35.6Very low173 Ų173133 Ų13380%0.80181%0.81SS**  trans53.2112.6138.7-69.4-69.2000121.9
22V33.9Very low35.6Very low122 Ų122127.6 Ų127.674%0.73980%0.804SS**  70.7112.491.1-179.70000113.3
23E32.1Very low35.5Very low195 Ų195130.1 Ų130.191%0.91181%0.807SS**  -168.1145.1120.7-106.1175.2-178.800113.5
24D34.2Very low35.6Very low141 Ų141133.4 Ų133.475%0.75481%0.811SS**  trans-82.4144.1-175.2179.423.6000111
25S35Very low35.3Very low121 Ų121132.8 Ų132.885%0.84681%0.805SS**  trans-167.498.6155.7-83.20000110.5
26A38.4Very low35.1Very low87 Ų87132.3 Ų132.372%0.71980%0.803SS**  trans-59141159.600000111.4
27L34.9Very low35.5Very low176 Ų176131.4 Ų131.492%0.92180%0.802SS**  trans-172.4109.6146.4-98.4160000109.3
28A32.8Very low36.2Very low86 Ų86130.4 Ų130.471%0.71180%0.802SS**  trans-85.9176150.100000108.2
29P47.9Very low36.8Very low126 Ų126127.1 Ų127.182%0.81879%0.788SS**  cis-132.9171.4-6.138.5-21.3000113.3
30S27.9Very low37Very low119 Ų119127.2 Ų127.283%0.83278%0.784SS**  trans-165.9130.3141.5-169.50000111.7
31C40Very low37.7Very low127 Ų127127.3 Ų127.386%0.85879%0.785SS**  trans-67.5149.3171.1-62.80000112.3
32G35.7Very low38.6Very low70 Ų70124.5 Ų124.572%0.72278%0.775SS**  trans95.3103156.200000115.8
33D32.2Very low39.1Very low172 Ų172124.8 Ų124.892%0.9277%0.772SS**  -174.3166.493.3-109.2-19.8000112.4
34Q39.8Very low39.9Very low173 Ų173122.9 Ų122.981%0.80876%0.763SS**  trans-74.9152.1-162.8-141.2179.237.700114.9
35V38.9Very low40.7Very low111 Ų111118.9 Ų118.967%0.67375%0.746SS**  trans73.6111.6157.3-164.30000114.8
36D32.9Very low41.4Very low139 Ų139118.1 Ų118.174%0.74373%0.73SS**  -148107.871.6-83.7-55.7000112.1T38D36-T38 VanDerWaalsContact C-N 3.33Å; D36-T38 PolarHBondContact O-N 2.69Å
37S42.1Very low42.3Very low132 Ų132117 Ų11792%0.92372%0.717SS**  trans-92.570.6160.7-64.90000109.2
38T49.3Very low43.5Very low133 Ų133111.2 Ų111.282%0.81669%0.692SS**  trans-115.673.3166.3-49.20000107.8D36D36-T38 VanDerWaalsContact C-N 3.33Å; D36-T38 PolarHBondContact O-N 2.69Å
39G44.1Very low44.9Very low53 Ų53110.4 Ų110.455%0.54668%0.68SS.*SBendtrans-142.9-26.8-174.400000116.2
40D42.7Very low45.8Very low133 Ų133110.5 Ų110.571%0.71167%0.67SS**SBendtrans-108.3-18.2-171-92.3-32.4000115.5N42 L43D40-N42 PolarHBondContact O-N 2.96Å; D40-L43 PolarHBondContact O-N 2.84Å
41A47.3Very low47.8Very low85 Ų85109.1 Ų109.170%0.70265%0.653SS**Hα-helixtrans-68.2-19.7178.400000113.3S45A41-S45 WeakPolarHBondContact O-CB 3.45Å; A41-S45 PolarHBondContact O-N 2.93Å
42N48.4Very low49.4Very low113 Ų113106.8 Ų106.860%0.60463%0.631SS**Hα-helixtrans-85.4-31.4-176.6-142.811.5000112.2D40 M46D40-N42 PolarHBondContact O-N 2.96Å; N42-M46 VanDerWaalsContact O-CB 3.27Å; N42-M46 WeakPolarHBondContact O-CB 3.38Å; N42-M46 WeakPolarHBondContact O-CG 3.35Å; N42-M46 PolarHBondContact O-N 3.43Å
43L44.3Very low51.4Low128 Ų128108 Ų10867%0.6762%0.621SS**Hα-helixtrans-72.8-42.5177.2-109.796000112.1D40 M46 S47D40-L43 PolarHBondContact O-N 2.84Å; L43-M46 PolarHBondContact O-N 3.34Å; L43-S47 VanDerWaalsContact O-CB 3.31Å; L43-S47 WeakPolarHBondContact O-CB 3.08Å; L43-S47 PolarHBondContact O-N 3.41Å
44E49.3Very low53.5Low156 Ų156104 Ų10473%0.72960%0.598SS**Hα-helixtrans-66.9-38.8175.5-69.9-171.4156.800111.7S47 S48E44-S47 PolarHBondContact O-N 3.14Å; E44-S48 WeakPolarHBondContact O-CB 3.23Å; E44-S48 PolarHBondContact O-N 3.06Å; E44-S48 PolarHBondContact O-OG 3.08Å
45S51.7Low55.6Low57 Ų5797.5 Ų97.540%0.39957%0.568SS.*Hα-helixtrans-65-46.7175.1-175.90000111.8A41 S47 S48 C49A41-S45 WeakPolarHBondContact O-CB 3.45Å; A41-S45 PolarHBondContact O-N 2.93Å; S45-S47 PolarHBondContact O-N 3.49Å; S45-S48 PolarHBondContact O-N 3.31Å; S45-S48 PolarHBondContact O-OG 2.95Å; S45-C49 WeakPolarHBondContact O-CB 3.17Å; S45-C49 PolarHBondContact O-N 2.92Å; S45-C49 PolarHBondContact O-SG 3.43Å
46M48.3Very low57.7Low104 Ų10494.9 Ų94.951%0.51255%0.55SS.*Hα-helixtrans-63.7-39176.1-73.6-179.67300112.6N42 L43 C49 Q50N42-M46 VanDerWaalsContact O-CB 3.27Å; N42-M46 WeakPolarHBondContact O-CB 3.38Å; N42-M46 WeakPolarHBondContact O-CG 3.35Å; N42-M46 PolarHBondContact O-N 3.43Å; L43-M46 PolarHBondContact O-N 3.34Å; M46-C49 PolarHBondContact O-N 3.21Å; M46-Q50 VanDerWaalsContact O-CG 3.28Å; M46-Q50 WeakPolarHBondContact O-CG 3.41Å; M46-Q50 PolarHBondContact O-N 3.15Å
47S57.9Low60.3Low63 Ų6393.8 Ų93.844%0.44154%0.541SS..Hα-helixtrans-62.7-46.4174-170.60000111.5L43 E44 S45 C49 Q50 D51L43-S47 VanDerWaalsContact O-CB 3.31Å; L43-S47 WeakPolarHBondContact O-CB 3.08Å; L43-S47 PolarHBondContact O-N 3.41Å; E44-S47 PolarHBondContact O-N 3.14Å; S45-S47 PolarHBondContact O-N 3.49Å; S47-C49 VanDerWaalsContact C-N 3.34Å; S47-C49 PolarHBondContact O-N 3.06Å; S47-Q50 PolarHBondContact O-N 2.79Å; S47-D51 PolarHBondContact O-N 2.82Å
48S60.4Low62.4Low55 Ų5593.4 Ų93.439%0.38552%0.522SS..Hα-helixtrans-65-36.6178.877.70000112.7E44 S45 D51 I52E44-S48 WeakPolarHBondContact O-CB 3.23Å; E44-S48 PolarHBondContact O-N 3.06Å; E44-S48 PolarHBondContact O-OG 3.08Å; S45-S48 PolarHBondContact O-N 3.31Å; S45-S48 PolarHBondContact O-OG 2.95Å; S48-D51 PolarHBondContact O-N 3.49Å; S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.41Å; S48-I52 PolarHBondContact O-N 2.84Å
49C61.3Low64.5Low70 Ų7087.3 Ų87.347%0.47349%0.485SS..Hα-helixtrans-68.8-37.9177.4-68.40000111.8S45 M46 S47 N53S45-C49 WeakPolarHBondContact O-CB 3.17Å; S45-C49 PolarHBondContact O-N 2.92Å; S45-C49 PolarHBondContact O-SG 3.43Å; M46-C49 PolarHBondContact O-N 3.21Å; S47-C49 VanDerWaalsContact C-N 3.34Å; S47-C49 PolarHBondContact O-N 3.06Å; C49-N53 WeakPolarHBondContact O-CB 3.3Å; C49-N53 PolarHBondContact O-N 2.9Å
50Q66.9Low66.8Low128 Ų12892.7 Ų92.760%0.59849%0.489SS*.Hα-helixtrans-66.4-41.8176.1-75.1175.9700111.6M46 S47 N53 M54M46-Q50 VanDerWaalsContact O-CG 3.28Å; M46-Q50 WeakPolarHBondContact O-CG 3.41Å; M46-Q50 PolarHBondContact O-N 3.15Å; S47-Q50 PolarHBondContact O-N 2.79Å; Q50-N53 PolarHBondContact O-N 3.16Å; Q50-M54 WeakPolarHBondContact O-CB 3.12Å; Q50-M54 PolarHBondContact O-N 3.06Å
51D70.5Confident69.3Low89 Ų8989.9 Ų89.948%0.47648%0.477SS..Hα-helixtrans-63.5-43.3176.5-77.7-30.3000112.2S47 S48 N53 M54 M55S47-D51 PolarHBondContact O-N 2.82Å; S48-D51 PolarHBondContact O-N 3.49Å; D51-N53 PolarHBondContact O-N 3.24Å; D51-M54 PolarHBondContact O-N 3.46Å; D51-M55 WeakPolarHBondContact O-CB 3.2Å; D51-M55 WeakPolarHBondContact O-CG 3.43Å; D51-M55 PolarHBondContact O-N 2.79Å
52I74.4Confident71.7Confident78 Ų7886.7 Ų86.740%0.445%0.448SS..Hα-helixtrans-61.2-46.2175.7-67.8164.7000110.5S48 M54 M55 D56S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.41Å; S48-I52 PolarHBondContact O-N 2.84Å; I52-M54 PolarHBondContact O-N 3.14Å; I52-M55 PolarHBondContact O-N 3.39Å; I52-D56 PolarHBondContact O-N 3.35Å
53N76.7Confident74Confident97 Ų9784.3 Ų84.352%0.51943%0.434SS..Hα-helixtrans-66.1-38.5-178.3-151.7-32000111.7C49 Q50 D51 D56 Q57C49-N53 WeakPolarHBondContact O-CB 3.3Å; C49-N53 PolarHBondContact O-N 2.9Å; Q50-N53 PolarHBondContact O-N 3.16Å; D51-N53 PolarHBondContact O-N 3.24Å; N53-D56 PolarHBondContact O-N 3.29Å; N53-Q57 VanDerWaalsContact O-CG 3.31Å; N53-Q57 WeakPolarHBondContact O-CG 3.3Å; N53-Q57 PolarHBondContact O-N 3.02Å
54M76.7Confident76.5Confident86 Ų8684.9 Ų84.942%0.42443%0.433SS..Hα-helixtrans-65.9-38.5173.8-167.5-17161.400111.9Q50 D51 I52 Q57 K58Q50-M54 WeakPolarHBondContact O-CB 3.12Å; Q50-M54 PolarHBondContact O-N 3.06Å; D51-M54 PolarHBondContact O-N 3.46Å; I52-M54 PolarHBondContact O-N 3.14Å; M54-Q57 PolarHBondContact O-N 3.26Å; M54-K58 WeakPolarHBondContact O-CG 2.93Å; M54-K58 PolarHBondContact O-N 2.97Å; M54-K58 VanDerWaalsContact O-N 3.12Å
55M82.7Confident78.8Confident37 Ų3781.5 Ų81.518%0.18242%0.417CS..Hα-helixtrans-68.3-38.3176.1-71.7-65.6-69.700112.2D51 I52 Q57 K58 L59 L124 Y127 I128D51-M55 WeakPolarHBondContact O-CB 3.2Å; D51-M55 WeakPolarHBondContact O-CG 3.43Å; D51-M55 PolarHBondContact O-N 2.79Å; I52-M55 PolarHBondContact O-N 3.39Å; M55-Q57 VanDerWaalsContact C-N 3.33Å; M55-Q57 PolarHBondContact O-N 3.48Å; M55-K58 WeakPolarHBondContact O-CB 2.84Å; M55-K58 PolarHBondContact O-N 3.26Å; M55-K58 VanDerWaalsContact O-N 3.14Å; M55-K58 HydrophobicContact SD-CD 4.34Å; M55-L59 PolarHBondContact O-N 3.38Å; M55-L124 HydrophobicContact CE-CD2 3.86Å; M55-Y127 WeakPolarHBondContact CB-OH 3.42Å; M55-I128 HydrophobicContact CB-CD1 4.09Å; M55-I128 HydrophobicContact CE-CD1 4.2Å; M55-I128 HydrophobicContact CE-CG1 3.84Å; M55-I128 HydrophobicContact CE-CG2 4.33Å
56D84.3Confident81Confident56 Ų5679.1 Ų79.130%0.29940%0.399SS..Hα-helixtrans-64.9-36.8173.2-78.4-24.1000112.1I52 N53 K58 L59 R60 R131I52-D56 PolarHBondContact O-N 3.35Å; N53-D56 PolarHBondContact O-N 3.29Å; D56-K58 VanDerWaalsContact C-N 3.29Å; D56-K58 PolarHBondContact O-N 3.38Å; D56-L59 WeakPolarHBondContact O-CB 2.97Å; D56-L59 PolarHBondContact O-N 3.34Å; D56-L59 VanDerWaalsContact O-N 3.15Å; D56-R60 PolarHBondContact O-N 3.26Å; D56-R131 IonicContact OD1-NH1 3.4Å
57Q86.2Confident83.3Confident116 Ų11678.5 Ų78.554%0.54240%0.395SS..Hα-helixtrans-61.9-37.7171.6-72.6173.323.200112N53 M54 M55 L59 R60 P61N53-Q57 VanDerWaalsContact O-CG 3.31Å; N53-Q57 WeakPolarHBondContact O-CG 3.3Å; N53-Q57 PolarHBondContact O-N 3.02Å; M54-Q57 PolarHBondContact O-N 3.26Å; M55-Q57 VanDerWaalsContact C-N 3.33Å; M55-Q57 PolarHBondContact O-N 3.48Å; Q57-L59 VanDerWaalsContact C-N 3.31Å; Q57-L59 PolarHBondContact O-N 3.49Å; Q57-R60 PolarHBondContact O-N 3.01Å; Q57-P61 WeakPolarHBondContact O-CD 3.48Å
58K87.4Confident85.2Confident124 Ų12481.3 Ų81.354%0.53940%0.397SS..Hα-helixtrans-70-25.7174.4-69.8178.3-178.3177.30113.2M54 M55 D56 P61M54-K58 WeakPolarHBondContact O-CG 2.93Å; M54-K58 PolarHBondContact O-N 2.97Å; M54-K58 VanDerWaalsContact O-N 3.12Å; M55-K58 WeakPolarHBondContact O-CB 2.84Å; M55-K58 PolarHBondContact O-N 3.26Å; M55-K58 VanDerWaalsContact O-N 3.14Å; M55-K58 HydrophobicContact SD-CD 4.34Å; D56-K58 VanDerWaalsContact C-N 3.29Å; D56-K58 PolarHBondContact O-N 3.38Å; K58-P61 WeakPolarHBondContact O-CD 3.13Å; K58-P61 WeakPolarHBondContact O-CG 2.9Å
59L92.3Very high87Confident5 Ų579 Ų793%0.02638%0.38CS..Hα-helixtrans-74.9-30.9175.5-78.6175.3000113.5M55 D56 Q57 I62 E63 I128 L132M55-L59 PolarHBondContact O-N 3.38Å; D56-L59 WeakPolarHBondContact O-CB 2.97Å; D56-L59 PolarHBondContact O-N 3.34Å; D56-L59 VanDerWaalsContact O-N 3.15Å; Q57-L59 VanDerWaalsContact C-N 3.31Å; Q57-L59 PolarHBondContact O-N 3.49Å; L59-I62 HydrophobicContact CD2-CD1 4.16Å; L59-I62 WeakPolarHBondContact O-CA 3.32Å; L59-I62 WeakPolarHBondContact O-CB 3.12Å; L59-I62 PolarHBondContact O-N 3.49Å; L59-E63 PolarHBondContact O-N 2.75Å; L59-I128 HydrophobicContact CD1-CD1 3.42Å; L59-I128 VanDerWaalsContact CD1-CD1 3.42Å; L59-I128 HydrophobicContact CD2-CD1 4.47Å; L59-I128 HydrophobicContact CD2-CG2 4.38Å; L59-I128 HydrophobicContact CG-CD1 3.99Å; L59-L132 HydrophobicContact CD2-CD2 3.91Å
60R93.3Very high88.8Confident167 Ų16777 Ų7763%0.6337%0.365SS*.Hα-helixtrans-49.5-51.1-178.5-74.6-170.2-178.8-166.81.3114.9D56 Q57 I62 E63 Q64D56-R60 PolarHBondContact O-N 3.26Å; Q57-R60 PolarHBondContact O-N 3.01Å; R60-I62 VanDerWaalsContact C-N 3.26Å; R60-I62 PolarHBondContact O-N 2.91Å; R60-E63 PolarHBondContact O-N 2.73Å; R60-Q64 WeakPolarHBondContact O-CG 3.39Å; R60-Q64 PolarHBondContact O-N 2.81Å
61P95.2Very high90.2Very high73 Ų7374 Ų7447%0.47436%0.355SS..Hα-helixtrans-64.1-32.5179.124.1-34.6000112.6Q57 K58 Q64 Q65Q57-P61 WeakPolarHBondContact O-CD 3.48Å; K58-P61 WeakPolarHBondContact O-CD 3.13Å; K58-P61 WeakPolarHBondContact O-CG 2.9Å; P61-Q64 PolarHBondContact O-N 3.37Å; P61-Q65 PolarHBondContact O-N 3.31Å
62I96.8Very high91.4Very high18 Ų1872.5 Ų72.59%0.09235%0.345CS..Hα-helixtrans-67.1-41.9177.6-54.6168.3000110.1L59 R60 F66 Y106 Y109 L110 L132 F135L59-I62 HydrophobicContact CD2-CD1 4.16Å; L59-I62 WeakPolarHBondContact O-CA 3.32Å; L59-I62 WeakPolarHBondContact O-CB 3.12Å; L59-I62 PolarHBondContact O-N 3.49Å; R60-I62 VanDerWaalsContact C-N 3.26Å; R60-I62 PolarHBondContact O-N 2.91Å; I62-F66 PolarHBondContact O-N 3.32Å; I62-Y106 HydrophobicContact CG2-CE2 4.12Å; I62-Y106 WeakPolarHBondContact CG2-OH 3.44Å; I62-Y106 PolarHBondContact O-OH 2.89Å; I62-Y109 HydrophobicContact CD1-CE1 3.66Å; I62-Y109 WeakPolarHBondContact CD1-OH 3.38Å; I62-Y109 HydrophobicContact CG1-CE1 3.81Å; I62-Y109 HydrophobicContact CG2-CE1 4.2Å; I62-L110 HydrophobicContact CG2-CD2 3.68Å; I62-L132 HydrophobicContact CD1-CD2 4.05Å; I62-L132 HydrophobicContact CG2-CD2 3.96Å; I62-F135 HydrophobicContact CG2-CD2 4.21Å; I62-F135 HydrophobicContact CG2-CE2 4.36Å
63E96.8Very high92.4Very high63 Ų6368.8 Ų68.829%0.29433%0.326SS..Hα-helixtrans-69.3-38.1176.2-177166.5-144.800112.3L59 R60 Q65 F66 Q67 R131 F135L59-E63 PolarHBondContact O-N 2.75Å; R60-E63 PolarHBondContact O-N 2.73Å; E63-Q65 PolarHBondContact O-N 3.25Å; E63-F66 WeakPolarHBondContact O-CB 3.39Å; E63-F66 PolarHBondContact O-N 3.09Å; E63-Q67 WeakPolarHBondContact O-CG 3.37Å; E63-Q67 PolarHBondContact O-N 3.24Å; E63-R131 IonicContact OE1-NH2 3.71Å; E63-R131 PolarHBondContact OE1-NH2 3.33Å; E63-R131 IonicContact OE2-NH2 3.24Å; E63-R131 PolarHBondContact OE2-NH2 2.81Å; E63-F135 HydrophobicContact CB-CE2 4.21Å; E63-F135 HydrophobicContact CB-CZ 3.93Å; E63-F135 HydrophobicContact CG-CZ 4.01Å
64Q97.1Very high93.2Very high140 Ų14066.9 Ų66.965%0.65432%0.316SS*.Hα-helixtrans-62-44.2173.9-74.3172.2-14.500111.7R60 P61 F66 Q67 Y68R60-Q64 WeakPolarHBondContact O-CG 3.39Å; R60-Q64 PolarHBondContact O-N 2.81Å; P61-Q64 PolarHBondContact O-N 3.37Å; Q64-F66 VanDerWaalsContact C-N 3.34Å; Q64-Q67 PolarHBondContact O-N 2.76Å; Q64-Y68 PolarHBondContact O-N 2.96Å
65Q97.4Very high94Very high86 Ų8666.6 Ų66.640%0.40231%0.313SS..Hα-helixtrans-63.7-40.4175.5-174.663.621.100111.6P61 E63 Y68 L69 Y106P61-Q65 PolarHBondContact O-N 3.31Å; E63-Q65 PolarHBondContact O-N 3.25Å; Q65-Y68 PolarHBondContact O-N 3.24Å; Q65-L69 HydrophobicContact CG-CD1 4.45Å; Q65-L69 WeakPolarHBondContact O-CG 3.23Å; Q65-L69 PolarHBondContact O-N 3.42Å; Q65-Y106 HydrophobicContact CB-CD2 4.2Å; Q65-Y106 HydrophobicContact CB-CE2 3.83Å; Q65-Y106 HydrophobicContact CG-CD2 3.54Å; Q65-Y106 HydrophobicContact CG-CE2 3.7Å; Q65-Y106 HydrophobicContact CG-CG 4.43Å
66F98Very high94.4Very high6 Ų666.8 Ų66.83%0.02631%0.313CS..Hα-helixtrans-55.9-52.4173.4174.2-118.5000111.8I62 E63 Q64 Y68 L69 L70 Y106 F135 K138 L139I62-F66 PolarHBondContact O-N 3.32Å; E63-F66 WeakPolarHBondContact O-CB 3.39Å; E63-F66 PolarHBondContact O-N 3.09Å; Q64-F66 VanDerWaalsContact C-N 3.34Å; F66-Y68 VanDerWaalsContact C-N 3.32Å; F66-Y68 PolarHBondContact O-N 2.69Å; F66-L69 PolarHBondContact O-N 2.56Å; F66-L69 VanDerWaalsContact O-N 3.17Å; F66-L70 HydrophobicContact CD1-CD1 4.14Å; F66-L70 HydrophobicContact CD2-CD1 4.44Å; F66-L70 HydrophobicContact CD2-CG 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.48Å; F66-L70 VanDerWaalsContact CE1-CD1 3.48Å; F66-L70 HydrophobicContact CE1-CG 4.35Å; F66-L70 HydrophobicContact CE2-CD1 3.82Å; F66-L70 HydrophobicContact CE2-CD2 4.21Å; F66-L70 HydrophobicContact CE2-CG 3.92Å; F66-L70 HydrophobicContact CZ-CD1 3.31Å; F66-L70 HydrophobicContact CZ-CD2 4.38Å; F66-L70 HydrophobicContact CZ-CG 3.95Å; F66-L70 PolarHBondContact O-N 3.18Å; F66-Y106 HydrophobicContact CB-CE1 4.37Å; F66-Y106 VanDerWaalsContact CB-OH 3.3Å; F66-Y106 WeakPolarHBondContact CB-OH 3.47Å; F66-Y106 HydrophobicContact CD2-CE1 4.38Å; F66-F135 AromaticContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CE1 4.11Å; F66-F135 HydrophobicContact CD1-CG 4.38Å; F66-F135 HydrophobicContact CD2-CB 3.96Å; F66-F135 HydrophobicContact CD2-CD1 4.43Å; F66-F135 HydrophobicContact CD2-CG 4.35Å; F66-F135 AromaticContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CE1 4.3Å; F66-F135 HydrophobicContact CE2-CB 4.17Å; F66-F135 HydrophobicContact CE2-CD1 4.47Å; F66-F135 VanDerWaalsContact CE2-O 3.29Å; F66-F135 WeakPolarHBondContact CE2-O 3.13Å; F66-F135 HydrophobicContact CG-CB 4.3Å; F66-F135 HydrophobicContact CG-CD1 4.1Å; F66-F135 HydrophobicContact CG-CG 4.2Å; F66-F135 HydrophobicContact CZ-CD1 4.19Å; F66-K138 HydrophobicContact CE2-CB 3.97Å; F66-K138 HydrophobicContact CZ-CB 3.63Å; F66-K138 HydrophobicContact CZ-CD 4.02Å; F66-K138 HydrophobicContact CZ-CG 4.48Å; F66-L139 HydrophobicContact CD2-CB 4.38Å; F66-L139 HydrophobicContact CE2-CB 4.05Å
67Q97.9Very high94.5Very high91 Ų9165.2 Ų65.243%0.42530%0.304SS..Hα-helixtrans-61.9-41.2-178.9-67.8-59.5-24.500111.6E63 Q64 L69 L70 T71E63-Q67 WeakPolarHBondContact O-CG 3.37Å; E63-Q67 PolarHBondContact O-N 3.24Å; Q64-Q67 PolarHBondContact O-N 2.76Å; Q67-L69 PolarHBondContact O-N 2.81Å; Q67-L70 PolarHBondContact O-N 3.32Å; Q67-T71 WeakPolarHBondContact O-CB 3.33Å; Q67-T71 PolarHBondContact O-N 2.85Å; Q67-T71 PolarHBondContact O-OG1 3.11Å; Q67-T71 VanDerWaalsContact O-OG1 3.04Å
68Y97.8Very high94.6Very high123 Ų12362.9 Ų62.948%0.48230%0.298SS..Hα-helixtrans-56.5-47.7173.8171.3-95000112.2Q64 Q65 F66 T71 K72Q64-Y68 PolarHBondContact O-N 2.96Å; Q65-Y68 PolarHBondContact O-N 3.24Å; F66-Y68 VanDerWaalsContact C-N 3.32Å; F66-Y68 PolarHBondContact O-N 2.69Å; Y68-T71 PolarHBondContact O-N 3.07Å; Y68-K72 HydrophobicContact CD1-CG 4.41Å; Y68-K72 HydrophobicContact CD2-CG 4.45Å; Y68-K72 HydrophobicContact CE1-CG 3.96Å; Y68-K72 HydrophobicContact CE2-CD 4.44Å; Y68-K72 HydrophobicContact CE2-CG 4.04Å; Y68-K72 WeakPolarHBondContact O-CB 3.31Å; Y68-K72 VanDerWaalsContact O-CG 3.32Å; Y68-K72 WeakPolarHBondContact O-CG 3.47Å; Y68-K72 PolarHBondContact O-N 3.12Å
69L98.1Very high94.5Very high5 Ų560.5 Ų60.53%0.02629%0.291CS..Hα-helixtrans-65.5-40179.7-67.7174.9000112.1Q65 F66 Q67 K72 A73 F99 Y106 L139Q65-L69 HydrophobicContact CG-CD1 4.45Å; Q65-L69 WeakPolarHBondContact O-CG 3.23Å; Q65-L69 PolarHBondContact O-N 3.42Å; F66-L69 PolarHBondContact O-N 2.56Å; F66-L69 VanDerWaalsContact O-N 3.17Å; Q67-L69 PolarHBondContact O-N 2.81Å; L69-K72 PolarHBondContact O-N 2.93Å; L69-A73 PolarHBondContact O-N 2.97Å; L69-F99 HydrophobicContact CD2-CE2 4.09Å; L69-F99 HydrophobicContact CD2-CZ 4.47Å; L69-Y106 HydrophobicContact CD1-CD1 3.64Å; L69-Y106 HydrophobicContact CD1-CD2 4.31Å; L69-Y106 HydrophobicContact CD1-CE1 4.3Å; L69-Y106 HydrophobicContact CD1-CG 3.65Å; L69-L139 HydrophobicContact CB-CD1 3.97Å; L69-L139 HydrophobicContact CB-CD2 4.49Å; L69-L139 HydrophobicContact CD1-CD2 3.88Å
70L97.8Very high94.1Very high29 Ų2960.3 Ų60.315%0.15229%0.29CS..Hα-helixtrans-62.2-50.4174.2-74.1-175.4000111.7F66 Q67 K72 A73 D74 L139 R142F66-L70 HydrophobicContact CD1-CD1 4.14Å; F66-L70 HydrophobicContact CD2-CD1 4.44Å; F66-L70 HydrophobicContact CD2-CG 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.48Å; F66-L70 VanDerWaalsContact CE1-CD1 3.48Å; F66-L70 HydrophobicContact CE1-CG 4.35Å; F66-L70 HydrophobicContact CE2-CD1 3.82Å; F66-L70 HydrophobicContact CE2-CD2 4.21Å; F66-L70 HydrophobicContact CE2-CG 3.92Å; F66-L70 HydrophobicContact CZ-CD1 3.31Å; F66-L70 HydrophobicContact CZ-CD2 4.38Å; F66-L70 HydrophobicContact CZ-CG 3.95Å; F66-L70 PolarHBondContact O-N 3.18Å; Q67-L70 PolarHBondContact O-N 3.32Å; L70-K72 PolarHBondContact O-N 2.89Å; L70-A73 WeakPolarHBondContact O-CB 3.27Å; L70-A73 PolarHBondContact O-N 2.87Å; L70-D74 PolarHBondContact O-N 2.68Å; L70-L139 HydrophobicContact CD2-CD1 4.13Å; L70-R142 HydrophobicContact CD2-CB 3.72Å; L70-R142 HydrophobicContact CD2-CG 3.83Å
71T97.1Very high93.4Very high65 Ų6557.2 Ų57.240%0.39929%0.285SS..Hα-helixtrans-57.9-39.4177.7-59.90000111.2Q67 Y68 D74 E75Q67-T71 WeakPolarHBondContact O-CB 3.33Å; Q67-T71 PolarHBondContact O-N 2.85Å; Q67-T71 PolarHBondContact O-OG1 3.11Å; Q67-T71 VanDerWaalsContact O-OG1 3.04Å; Y68-T71 PolarHBondContact O-N 3.07Å; T71-D74 WeakPolarHBondContact O-CB 3.32Å; T71-D74 PolarHBondContact O-N 2.8Å; T71-E75 HydrophobicContact CG2-CG 4.5Å; T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.92Å
72K95.9Very high92.4Very high57 Ų5762.9 Ų62.925%0.24830%0.299CS..Hα-helixtrans-64.3-41.1175.5-74.3-71.7162.8-1510112.9Y68 L69 L70 D74 E75 F76 F99Y68-K72 HydrophobicContact CD1-CG 4.41Å; Y68-K72 HydrophobicContact CD2-CG 4.45Å; Y68-K72 HydrophobicContact CE1-CG 3.96Å; Y68-K72 HydrophobicContact CE2-CD 4.44Å; Y68-K72 HydrophobicContact CE2-CG 4.04Å; Y68-K72 WeakPolarHBondContact O-CB 3.31Å; Y68-K72 VanDerWaalsContact O-CG 3.32Å; Y68-K72 WeakPolarHBondContact O-CG 3.47Å; Y68-K72 PolarHBondContact O-N 3.12Å; L69-K72 PolarHBondContact O-N 2.93Å; L70-K72 PolarHBondContact O-N 2.89Å; K72-D74 VanDerWaalsContact C-N 3.3Å; K72-D74 PolarHBondContact O-N 2.57Å; K72-E75 IonicContact NZ-OE1 3.8Å; K72-E75 IonicContact NZ-OE2 2.66Å; K72-E75 PolarHBondContact NZ-OE2 2.71Å; K72-E75 PolarHBondContact O-N 2.82Å; K72-F76 WeakPolarHBondContact O-CD2 3.46Å; K72-F76 WeakPolarHBondContact O-CG 3.45Å; K72-F76 PolarHBondContact O-N 2.85Å; K72-F76 VanDerWaalsContact O-N 3.08Å; K72-F99 HydrophobicContact CB-CE2 3.89Å; K72-F99 HydrophobicContact CB-CZ 3.87Å
73A95.7Very high91Very high0 Ų069.7 Ų69.70%032%0.323CS..Hα-helixtrans-61.7-40.8173.400000111.6L69 L70 F76 Q77 F99 R142 L143 L146L69-A73 PolarHBondContact O-N 2.97Å; L70-A73 WeakPolarHBondContact O-CB 3.27Å; L70-A73 PolarHBondContact O-N 2.87Å; A73-F76 PolarHBondContact O-N 3.05Å; A73-Q77 PolarHBondContact O-N 3.39Å; A73-F99 HydrophobicContact CB-CE1 3.98Å; A73-F99 HydrophobicContact CB-CZ 4.39Å; A73-R142 HydrophobicContact CB-CG 3.95Å; A73-L143 HydrophobicContact CB-CD2 4.4Å; A73-L146 HydrophobicContact CB-CD2 4.37Å
74D93.7Very high89.3Confident58 Ų5871 Ų7131%0.3134%0.339SS..Hα-helixtrans-64.6-43.1177.4-60.6-11000112.2L70 T71 K72 F76 Q77 T78 R142L70-D74 PolarHBondContact O-N 2.68Å; T71-D74 WeakPolarHBondContact O-CB 3.32Å; T71-D74 PolarHBondContact O-N 2.8Å; K72-D74 VanDerWaalsContact C-N 3.3Å; K72-D74 PolarHBondContact O-N 2.57Å; D74-F76 VanDerWaalsContact C-N 3.34Å; D74-F76 PolarHBondContact O-N 2.81Å; D74-Q77 PolarHBondContact O-N 2.97Å; D74-T78 VanDerWaalsContact O-CB 3.29Å; D74-T78 WeakPolarHBondContact O-CB 3.48Å; D74-T78 PolarHBondContact O-N 3.05Å; D74-T78 PolarHBondContact O-OG1 2.84Å; D74-R142 IonicContact OD1-CZ 3.53Å; D74-R142 IonicContact OD1-NE 3.51Å; D74-R142 PolarHBondContact OD1-NE 3.04Å; D74-R142 IonicContact OD1-NH2 3.39Å; D74-R142 PolarHBondContact OD1-NH2 2.88Å
75E92.3Very high87.9Confident79 Ų7968.9 Ų68.937%0.36933%0.332SS..Hα-helixtrans-60-44.3175.1-75.9174.1-168.800110.9T71 K72 T78 N79T71-E75 HydrophobicContact CG2-CG 4.5Å; T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.92Å; K72-E75 IonicContact NZ-OE1 3.8Å; K72-E75 IonicContact NZ-OE2 2.66Å; K72-E75 PolarHBondContact NZ-OE2 2.71Å; K72-E75 PolarHBondContact O-N 2.82Å; E75-T78 PolarHBondContact O-N 3.33Å; E75-N79 WeakPolarHBondContact O-CB 3.3Å; E75-N79 VanDerWaalsContact O-CG 3.25Å; E75-N79 PolarHBondContact O-N 3.06Å; E75-N79 PolarHBondContact O-ND2 3.5Å
76F90.7Very high86.3Confident41 Ų4171.1 Ų71.118%0.1835%0.346CS..Hα-helixtrans-62.1-46.9175.6-69.1-47000111.7K72 A73 D74 T78 N79 L80 F92 V95 F99 L146K72-F76 WeakPolarHBondContact O-CD2 3.46Å; K72-F76 WeakPolarHBondContact O-CG 3.45Å; K72-F76 PolarHBondContact O-N 2.85Å; K72-F76 VanDerWaalsContact O-N 3.08Å; A73-F76 PolarHBondContact O-N 3.05Å; D74-F76 VanDerWaalsContact C-N 3.34Å; D74-F76 PolarHBondContact O-N 2.81Å; F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 PolarHBondContact O-N 3.23Å; F76-N79 PolarHBondContact O-N 3.17Å; F76-L80 WeakPolarHBondContact O-CD1 3.04Å; F76-L80 VanDerWaalsContact O-CG 3.24Å; F76-L80 WeakPolarHBondContact O-CG 3.5Å; F76-L80 PolarHBondContact O-N 3.33Å; F76-F92 HydrophobicContact CB-CE1 4.47Å; F76-F92 HydrophobicContact CD1-CE1 4.27Å; F76-V95 HydrophobicContact CD1-CG1 4.2Å; F76-V95 HydrophobicContact CE1-CG1 3.5Å; F76-V95 VanDerWaalsContact CE1-CG1 3.5Å; F76-V95 HydrophobicContact CE2-CG1 4.49Å; F76-V95 HydrophobicContact CZ-CG1 3.67Å; F76-F99 AromaticContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CE1 4.17Å; F76-F99 HydrophobicContact CD2-CG 4.18Å; F76-F99 HydrophobicContact CE2-CB 3.94Å; F76-F99 AromaticContact CE2-CD1 3.77Å; F76-F99 HydrophobicContact CE2-CD1 3.77Å; F76-F99 AromaticContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CE1 4.19Å; F76-F99 HydrophobicContact CE2-CE2 4.27Å; F76-F99 AromaticContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CZ 4.43Å; F76-L146 HydrophobicContact CB-CD1 3.82Å; F76-L146 HydrophobicContact CB-CD2 4.25Å; F76-L146 HydrophobicContact CD2-CD2 4.24Å
77Q87.8Confident84.7Confident24 Ų2477.1 Ų77.111%0.11238%0.377CS..Hα-helixtrans-63.8-39.2179-156.9-175.715.600112.5A73 D74 L80 L81 L146 T149A73-Q77 PolarHBondContact O-N 3.39Å; D74-Q77 PolarHBondContact O-N 2.97Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 3.01Å; Q77-L81 WeakPolarHBondContact O-CG 3.29Å; Q77-L81 PolarHBondContact O-N 2.77Å; Q77-L146 HydrophobicContact CB-CD1 4.25Å; Q77-T149 HydrophobicContact CG-CG2 4.07Å; Q77-T149 PolarHBondContact NE2-OG1 2.94Å
78T87.5Confident83.4Confident67 Ų6775 Ų7541%0.41137%0.367SS..Hα-helixtrans-64.2-48.2176-58.50000110.4D74 E75 F76 L80 L81 Y82D74-T78 VanDerWaalsContact O-CB 3.29Å; D74-T78 WeakPolarHBondContact O-CB 3.48Å; D74-T78 PolarHBondContact O-N 3.05Å; D74-T78 PolarHBondContact O-OG1 2.84Å; E75-T78 PolarHBondContact O-N 3.33Å; F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 PolarHBondContact O-N 3.23Å; T78-L80 VanDerWaalsContact C-N 3.25Å; T78-L80 PolarHBondContact O-N 3.16Å; T78-L81 PolarHBondContact O-N 3.37Å; T78-L81 VanDerWaalsContact O-N 3.11Å; T78-Y82 HydrophobicContact CG2-CD2 3.64Å; T78-Y82 HydrophobicContact CG2-CE2 3.74Å; T78-Y82 VanDerWaalsContact O-CD2 3.22Å; T78-Y82 WeakPolarHBondContact O-CD2 3.32Å; T78-Y82 PolarHBondContact O-N 3.5Å
79N85.3Confident82.2Confident74 Ų7473.5 Ų73.540%0.39636%0.363SS..Hα-helixtrans-59-37.5178.4-76.2-45.6000112.3E75 F76 R83 F92E75-N79 WeakPolarHBondContact O-CB 3.3Å; E75-N79 VanDerWaalsContact O-CG 3.25Å; E75-N79 PolarHBondContact O-N 3.06Å; E75-N79 PolarHBondContact O-ND2 3.5Å; F76-N79 PolarHBondContact O-N 3.17Å; N79-R83 PolarHBondContact O-N 3.39Å; N79-R83 VanDerWaalsContact O-N 3.15Å; N79-F92 HydrophobicContact CB-CZ 4.16Å
80L83.1Confident81.2Confident0 Ų080 Ų800%039%0.393CS..Hα-helixtrans-61.3-41.3175.3-73.3162.3000112.9F76 Q77 T78 F92 L146 C150 F155F76-L80 WeakPolarHBondContact O-CD1 3.04Å; F76-L80 VanDerWaalsContact O-CG 3.24Å; F76-L80 WeakPolarHBondContact O-CG 3.5Å; F76-L80 PolarHBondContact O-N 3.33Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 3.01Å; T78-L80 VanDerWaalsContact C-N 3.25Å; T78-L80 PolarHBondContact O-N 3.16Å; L80-F92 HydrophobicContact CD1-CD1 4.38Å; L80-F92 HydrophobicContact CD1-CE1 4.18Å; L80-F92 HydrophobicContact CD2-CB 4.42Å; L80-F92 HydrophobicContact CD2-CD1 3.75Å; L80-F92 HydrophobicContact CD2-CD2 3.45Å; L80-F92 VanDerWaalsContact CD2-CD2 3.45Å; L80-F92 HydrophobicContact CD2-CE1 3.75Å; L80-F92 HydrophobicContact CD2-CE2 3.46Å; L80-F92 VanDerWaalsContact CD2-CE2 3.46Å; L80-F92 HydrophobicContact CD2-CG 3.62Å; L80-F92 HydrophobicContact CD2-CZ 3.62Å; L80-F92 HydrophobicContact CG-CD1 4.1Å; L80-F92 HydrophobicContact CG-CD2 4.36Å; L80-F92 HydrophobicContact CG-CE1 3.67Å; L80-F92 HydrophobicContact CG-CE2 3.97Å; L80-F92 HydrophobicContact CG-CG 4.44Å; L80-F92 HydrophobicContact CG-CZ 3.61Å; L80-L146 HydrophobicContact CD1-CD1 3.95Å; L80-C150 WeakPolarHBondContact CD1-SG 3.41Å; L80-F155 HydrophobicContact CD2-CD2 3.39Å; L80-F155 HydrophobicContact CD2-CE2 3.3Å
81L78.8Confident80.5Confident103 Ų10381.5 Ų81.554%0.53941%0.407SS..Hα-helixtrans-75.1-29.6-176.9-68.1172.6000113.2Q77 T78 F153Q77-L81 WeakPolarHBondContact O-CG 3.29Å; Q77-L81 PolarHBondContact O-N 2.77Å; T78-L81 PolarHBondContact O-N 3.37Å; T78-L81 VanDerWaalsContact O-N 3.11Å; L81-F153 HydrophobicContact CD2-CE2 4.29Å; L81-F153 HydrophobicContact CD2-CZ 4.03Å
82Y75.8Confident79.9Confident192 Ų19279 Ų7975%0.75339%0.39SS*.Hα-helixtrans-100.3-9.8-174.2-71.1-73.1000114.6T78T78-Y82 HydrophobicContact CG2-CD2 3.64Å; T78-Y82 HydrophobicContact CG2-CE2 3.74Å; T78-Y82 VanDerWaalsContact O-CD2 3.22Å; T78-Y82 WeakPolarHBondContact O-CD2 3.32Å; T78-Y82 PolarHBondContact O-N 3.5Å
83R65.9Low79.4Confident160 Ų16078.3 Ų78.360%0.60440%0.395SS*.  trans-139.8112.1179.8-65.3-173.5-179.1-171.91.7110.4N79 Q88N79-R83 PolarHBondContact O-N 3.39Å; N79-R83 VanDerWaalsContact O-N 3.15Å; R83-Q88 PolarHBondContact O-OE1 3.38Å; R83-Q88 VanDerWaalsContact O-OE1 3.05Å
84S61.4Low79Confident90 Ų9082 Ų8263%0.62942%0.42SS*.  trans-12295.2175.1-500000109.5
85D69Low78.9Confident96 Ų9681.6 Ų81.651%0.51342%0.42SS..  trans-132.1153.1170.3-173.510.1000109L87 Q88D85-L87 VanDerWaalsContact C-N 3.27Å; D85-L87 PolarHBondContact O-N 3.44Å; D85-Q88 WeakPolarHBondContact O-CA 3.5Å; D85-Q88 VanDerWaalsContact O-CB 3.28Å; D85-Q88 WeakPolarHBondContact O-CB 3.45Å; D85-Q88 PolarHBondContact O-N 2.92Å
86I63.8Low79Confident134 Ų13477.8 Ų77.869%0.68740%0.402SS*.Hα-helixtrans-59.8-36.6-175.7-62.9172.1000111.2Q88 K89I86-Q88 PolarHBondContact O-N 3.18Å; I86-K89 WeakPolarHBondContact O-CB 3.42Å; I86-K89 PolarHBondContact O-N 3.02Å
87L62.5Low79.1Confident131 Ų13177 Ų7769%0.68640%0.401SS*.Hα-helixtrans-61.9-23.1174.6-68173.2000112.9D85D85-L87 VanDerWaalsContact C-N 3.27Å; D85-L87 PolarHBondContact O-N 3.44Å
88Q71.6Confident79.4Confident46 Ų4678.5 Ų78.522%0.21541%0.412CS..Hα-helixtrans-77.7-28.9174.5-59.8-137.6-2900112.4R83 D85 I86 E90 S91 F92R83-Q88 PolarHBondContact O-OE1 3.38Å; R83-Q88 VanDerWaalsContact O-OE1 3.05Å; D85-Q88 WeakPolarHBondContact O-CA 3.5Å; D85-Q88 VanDerWaalsContact O-CB 3.28Å; D85-Q88 WeakPolarHBondContact O-CB 3.45Å; D85-Q88 PolarHBondContact O-N 2.92Å; I86-Q88 PolarHBondContact O-N 3.18Å; Q88-E90 PolarHBondContact O-N 3.09Å; Q88-S91 WeakPolarHBondContact O-CB 3.01Å; Q88-S91 PolarHBondContact O-N 2.78Å; Q88-F92 HydrophobicContact CB-CD2 4.04Å; Q88-F92 HydrophobicContact CB-CE2 4.09Å; Q88-F92 WeakPolarHBondContact O-CD2 3.21Å; Q88-F92 PolarHBondContact O-N 3.35Å
89K73Confident79.8Confident92 Ų9276 Ų7640%0.440%0.395SS..Hα-helixtrans-58.2-51.7177.9172.4158.4174.3159.50111.7I86 S91 F92 A93 D154 F155I86-K89 WeakPolarHBondContact O-CB 3.42Å; I86-K89 PolarHBondContact O-N 3.02Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 2.82Å; K89-F92 PolarHBondContact O-N 3.35Å; K89-A93 VanDerWaalsContact O-CB 3.29Å; K89-A93 WeakPolarHBondContact O-CB 3.18Å; K89-A93 PolarHBondContact O-N 2.77Å; K89-D154 WeakPolarHBondContact CE-O 3.49Å; K89-D154 PolarHBondContact NZ-O 3.21Å; K89-F155 HydrophobicContact CB-CD1 3.51Å; K89-F155 HydrophobicContact CB-CE1 3.69Å; K89-F155 HydrophobicContact CD-CD1 3.99Å; K89-F155 HydrophobicContact CD-CE1 4.47Å; K89-F155 HydrophobicContact CG-CD1 3.63Å; K89-F155 HydrophobicContact CG-CE1 4.26Å
90E75.9Confident80.4Confident141 Ų14173 Ų7366%0.65938%0.379SS*.Hα-helixtrans-64.9-36.8178.8-67.4177.9175.500111.9Q88 C94Q88-E90 PolarHBondContact O-N 3.09Å; E90-C94 PolarHBondContact O-N 3.42Å
91S83Confident81Confident61 Ų6179.9 Ų79.943%0.42741%0.405SS..Hα-helixtrans-62.6-51.6175.1-176.70000111.5Q88 K89 A93 C94 V95Q88-S91 WeakPolarHBondContact O-CB 3.01Å; Q88-S91 PolarHBondContact O-N 2.78Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 2.82Å; S91-A93 PolarHBondContact O-N 2.81Å; S91-C94 PolarHBondContact O-N 3.14Å; S91-C94 VanDerWaalsContact O-N 3.12Å; S91-V95 WeakPolarHBondContact O-CB 3.35Å; S91-V95 WeakPolarHBondContact O-CG2 3.31Å; S91-V95 PolarHBondContact O-N 2.87Å
92F84.8Confident81.9Confident13 Ų1379 Ų796%0.05740%0.404CS..Hα-helixtrans-68-33.8-179.7-79.3-70.1000113F76 N79 L80 Q88 K89 C94 V95 V96 F155F76-F92 HydrophobicContact CB-CE1 4.47Å; F76-F92 HydrophobicContact CD1-CE1 4.27Å; N79-F92 HydrophobicContact CB-CZ 4.16Å; L80-F92 HydrophobicContact CD1-CD1 4.38Å; L80-F92 HydrophobicContact CD1-CE1 4.18Å; L80-F92 HydrophobicContact CD2-CB 4.42Å; L80-F92 HydrophobicContact CD2-CD1 3.75Å; L80-F92 HydrophobicContact CD2-CD2 3.45Å; L80-F92 VanDerWaalsContact CD2-CD2 3.45Å; L80-F92 HydrophobicContact CD2-CE1 3.75Å; L80-F92 HydrophobicContact CD2-CE2 3.46Å; L80-F92 VanDerWaalsContact CD2-CE2 3.46Å; L80-F92 HydrophobicContact CD2-CG 3.62Å; L80-F92 HydrophobicContact CD2-CZ 3.62Å; L80-F92 HydrophobicContact CG-CD1 4.1Å; L80-F92 HydrophobicContact CG-CD2 4.36Å; L80-F92 HydrophobicContact CG-CE1 3.67Å; L80-F92 HydrophobicContact CG-CE2 3.97Å; L80-F92 HydrophobicContact CG-CG 4.44Å; L80-F92 HydrophobicContact CG-CZ 3.61Å; Q88-F92 HydrophobicContact CB-CD2 4.04Å; Q88-F92 HydrophobicContact CB-CE2 4.09Å; Q88-F92 WeakPolarHBondContact O-CD2 3.21Å; Q88-F92 PolarHBondContact O-N 3.35Å; K89-F92 PolarHBondContact O-N 3.35Å; F92-C94 PolarHBondContact O-N 3.11Å; F92-V95 PolarHBondContact O-N 2.82Å; F92-V96 HydrophobicContact CD1-CG2 3.96Å; F92-V96 WeakPolarHBondContact O-CB 3.45Å; F92-V96 PolarHBondContact O-N 3.27Å; F92-V96 VanDerWaalsContact O-N 3.09Å; F92-F155 HydrophobicContact CB-CB 4.31Å; F92-F155 HydrophobicContact CB-CD2 4.42Å; F92-F155 HydrophobicContact CB-CG 4.47Å
93A85.5Confident82.9Confident43 Ų4369.9 Ų69.936%0.35537%0.368SS..Hα-helixtrans-57.6-27.9172.700000112.7K89 S91 P97 F155K89-A93 VanDerWaalsContact O-CB 3.29Å; K89-A93 WeakPolarHBondContact O-CB 3.18Å; K89-A93 PolarHBondContact O-N 2.77Å; S91-A93 PolarHBondContact O-N 2.81Å; A93-P97 VanDerWaalsContact O-CD 3.3Å; A93-P97 WeakPolarHBondContact O-CD 3.4Å; A93-P97 VanDerWaalsContact O-CG 3.24Å; A93-P97 WeakPolarHBondContact O-CG 3.21Å; A93-F155 WeakPolarHBondContact CB-O 3.4Å
94C88.1Confident84.4Confident78 Ų7865.6 Ų65.653%0.52736%0.355SS..Hα-helixtrans-96.8-44.4176-175.60000113E90 S91 F92 P97 T98E90-C94 PolarHBondContact O-N 3.42Å; S91-C94 PolarHBondContact O-N 3.14Å; S91-C94 VanDerWaalsContact O-N 3.12Å; F92-C94 PolarHBondContact O-N 3.11Å; C94-P97 WeakPolarHBondContact O-CD 3.4Å; C94-T98 WeakPolarHBondContact O-CB 3.44Å; C94-T98 PolarHBondContact O-N 2.89Å; C94-T98 VanDerWaalsContact O-N 3.16Å; C94-T98 PolarHBondContact O-OG1 2.89Å
95V91.6Very high86.2Confident48 Ų4865.5 Ų65.529%0.29135%0.353SS..Hα-helixtrans-67.5-42.6-172.2169.40000111.6F76 S91 F92 T98 F99F76-V95 HydrophobicContact CD1-CG1 4.2Å; F76-V95 HydrophobicContact CE1-CG1 3.5Å; F76-V95 VanDerWaalsContact CE1-CG1 3.5Å; F76-V95 HydrophobicContact CE2-CG1 4.49Å; F76-V95 HydrophobicContact CZ-CG1 3.67Å; S91-V95 WeakPolarHBondContact O-CB 3.35Å; S91-V95 WeakPolarHBondContact O-CG2 3.31Å; S91-V95 PolarHBondContact O-N 2.87Å; F92-V95 PolarHBondContact O-N 2.82Å; V95-T98 PolarHBondContact O-N 2.98Å; V95-F99 WeakPolarHBondContact O-CB 3.14Å; V95-F99 PolarHBondContact O-N 3.22Å
96V93.2Very high87.6Confident0 Ų061.8 Ų61.80%033%0.332CS..Hα-helixtrans-68.1-49.3-176.6175.80000111.6F92 T98 F99 L100 L146 V147 L156F92-V96 HydrophobicContact CD1-CG2 3.96Å; F92-V96 WeakPolarHBondContact O-CB 3.45Å; F92-V96 PolarHBondContact O-N 3.27Å; F92-V96 VanDerWaalsContact O-N 3.09Å; V96-T98 PolarHBondContact O-N 3.04Å; V96-F99 PolarHBondContact O-N 2.92Å; V96-F99 VanDerWaalsContact O-N 3.13Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 2.99Å; V96-L146 HydrophobicContact CG1-CD2 4.44Å; V96-L146 HydrophobicContact CG1-CG 4.46Å; V96-V147 HydrophobicContact CG1-CG2 4.13Å; V96-L156 HydrophobicContact CB-CD1 4.04Å; V96-L156 HydrophobicContact CG1-CD1 3.77Å
97P93.8Very high89.2Confident24 Ų2455.4 Ų55.416%0.15630%0.299CS..Hα-helixtrans-59.7-33.6173.2-24.433.8000113.6A93 C94 R101 L156 V166A93-P97 VanDerWaalsContact O-CD 3.3Å; A93-P97 WeakPolarHBondContact O-CD 3.4Å; A93-P97 VanDerWaalsContact O-CG 3.24Å; A93-P97 WeakPolarHBondContact O-CG 3.21Å; C94-P97 WeakPolarHBondContact O-CD 3.4Å; P97-R101 PolarHBondContact O-N 2.81Å; P97-R101 VanDerWaalsContact O-N 3.15Å; P97-R101 PolarHBondContact O-NE 2.79Å; P97-L156 HydrophobicContact CG-CD2 4.12Å; P97-V166 HydrophobicContact CB-CG2 4.44Å; P97-V166 HydrophobicContact CG-CG2 3.77Å
98T94.6Very high90.9Very high56 Ų5650.7 Ų50.734%0.34428%0.275SS..Hα-helixtrans-67.5-44.1175.3-59.30000110.7C94 V95 V96 L100 R101 T102C94-T98 WeakPolarHBondContact O-CB 3.44Å; C94-T98 PolarHBondContact O-N 2.89Å; C94-T98 VanDerWaalsContact O-N 3.16Å; C94-T98 PolarHBondContact O-OG1 2.89Å; V95-T98 PolarHBondContact O-N 2.98Å; V96-T98 PolarHBondContact O-N 3.04Å; T98-L100 PolarHBondContact O-N 3.49Å; T98-R101 WeakPolarHBondContact O-CB 3.47Å; T98-R101 PolarHBondContact O-N 2.82Å; T98-R101 VanDerWaalsContact O-N 3.15Å; T98-T102 WeakPolarHBondContact O-CG2 3.4Å; T98-T102 PolarHBondContact O-N 3.01Å
99F96.3Very high92.1Very high14 Ų1453.7 Ų53.76%0.06129%0.285CS..Hα-helixtrans-61.2-44.9176.1179.7-123.2000111.9L69 K72 A73 F76 V95 V96 R101 T102 C103 L143 L146L69-F99 HydrophobicContact CD2-CE2 4.09Å; L69-F99 HydrophobicContact CD2-CZ 4.47Å; K72-F99 HydrophobicContact CB-CE2 3.89Å; K72-F99 HydrophobicContact CB-CZ 3.87Å; A73-F99 HydrophobicContact CB-CE1 3.98Å; A73-F99 HydrophobicContact CB-CZ 4.39Å; F76-F99 AromaticContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CE1 4.17Å; F76-F99 HydrophobicContact CD2-CG 4.18Å; F76-F99 HydrophobicContact CE2-CB 3.94Å; F76-F99 AromaticContact CE2-CD1 3.77Å; F76-F99 HydrophobicContact CE2-CD1 3.77Å; F76-F99 AromaticContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CE1 4.19Å; F76-F99 HydrophobicContact CE2-CE2 4.27Å; F76-F99 AromaticContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CZ 4.43Å; V95-F99 WeakPolarHBondContact O-CB 3.14Å; V95-F99 PolarHBondContact O-N 3.22Å; V96-F99 PolarHBondContact O-N 2.92Å; V96-F99 VanDerWaalsContact O-N 3.13Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.44Å; F99-T102 WeakPolarHBondContact CA-OG1 3.43Å; F99-T102 WeakPolarHBondContact CD2-OG1 3.31Å; F99-T102 WeakPolarHBondContact O-CA 3.42Å; F99-T102 PolarHBondContact O-N 3.39Å; F99-T102 PolarHBondContact O-OG1 2.9Å; F99-C103 PolarHBondContact O-N 2.83Å; F99-C103 PolarHBondContact O-SG 2.89Å; F99-C103 VanDerWaalsContact O-SG 3.38Å; F99-L143 HydrophobicContact CD1-CD2 3.96Å; F99-L143 HydrophobicContact CE1-CD2 3.4Å; F99-L143 VanDerWaalsContact CE1-CD2 3.4Å; F99-L143 HydrophobicContact CZ-CD2 4.24Å; F99-L146 HydrophobicContact CD1-CD2 4.04Å; F99-L146 HydrophobicContact CE1-CD2 4.21Å
100L96.9Very high93.3Very high12 Ų1249.3 Ų49.36%0.06327%0.266CS..Hα-helixtrans-55.1-43.2173.6-65.9175.9000111.8V96 T98 T102 C103 Q104 L143 V147 V166 F169V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 2.99Å; T98-L100 PolarHBondContact O-N 3.49Å; L100-T102 PolarHBondContact O-N 2.9Å; L100-C103 WeakPolarHBondContact O-CB 3.29Å; L100-C103 PolarHBondContact O-N 2.93Å; L100-Q104 WeakPolarHBondContact O-CG 3.48Å; L100-Q104 PolarHBondContact O-N 2.95Å; L100-L143 HydrophobicContact CD2-CB 3.93Å; L100-L143 HydrophobicContact CD2-CD1 4Å; L100-L143 HydrophobicContact CD2-CD2 4.13Å; L100-L143 HydrophobicContact CD2-CG 4.24Å; L100-V147 HydrophobicContact CD1-CG2 3.8Å; L100-V147 HydrophobicContact CD2-CG2 4.17Å; L100-V147 HydrophobicContact CG-CG2 4.44Å; L100-V166 HydrophobicContact CD1-CG1 3.44Å; L100-V166 VanDerWaalsContact CD1-CG1 3.44Å; L100-F169 HydrophobicContact CD1-CB 4.2Å; L100-F169 HydrophobicContact CD2-CD2 4.46Å; L100-F169 HydrophobicContact CD2-CG 4.37Å
101R95.9Very high94.3Very high144 Ų14442.7 Ų42.754%0.54324%0.236SC..Hα-helixtrans-61.5-40.8174.1-80.3179-89159-9.8112.4P97 T98 F99 C103 Q104P97-R101 PolarHBondContact O-N 2.81Å; P97-R101 VanDerWaalsContact O-N 3.15Å; P97-R101 PolarHBondContact O-NE 2.79Å; T98-R101 WeakPolarHBondContact O-CB 3.47Å; T98-R101 PolarHBondContact O-N 2.82Å; T98-R101 VanDerWaalsContact O-N 3.15Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.44Å; R101-C103 PolarHBondContact O-N 2.91Å; R101-Q104 WeakPolarHBondContact O-CB 3.29Å; R101-Q104 WeakPolarHBondContact O-CG 3.35Å; R101-Q104 PolarHBondContact O-N 2.99Å; R101-Q104 VanDerWaalsContact O-N 3.16Å
102T96.6Very high94.9Very high84 Ų8441.5 Ų41.552%0.51523%0.227SC..Hα-helixtrans-66.5-23.4176.865.20000113.6T98 F99 L100 P105T98-T102 WeakPolarHBondContact O-CG2 3.4Å; T98-T102 PolarHBondContact O-N 3.01Å; F99-T102 WeakPolarHBondContact CA-OG1 3.43Å; F99-T102 WeakPolarHBondContact CD2-OG1 3.31Å; F99-T102 WeakPolarHBondContact O-CA 3.42Å; F99-T102 PolarHBondContact O-N 3.39Å; F99-T102 PolarHBondContact O-OG1 2.9Å; L100-T102 PolarHBondContact O-N 2.9Å; T102-P105 WeakPolarHBondContact O-CD 3.24Å
103C97.9Very high95.3Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-77.7-21.4174.1-62.70000113.4F99 L100 R101 Y106 F107 L143F99-C103 PolarHBondContact O-N 2.83Å; F99-C103 PolarHBondContact O-SG 2.89Å; F99-C103 VanDerWaalsContact O-SG 3.38Å; L100-C103 WeakPolarHBondContact O-CB 3.29Å; L100-C103 PolarHBondContact O-N 2.93Å; R101-C103 PolarHBondContact O-N 2.91Å; C103-Y106 WeakPolarHBondContact O-CB 3.38Å; C103-Y106 PolarHBondContact O-N 2.84Å; C103-F107 HydrophobicContact CB-CD2 4.03Å; C103-F107 HydrophobicContact CB-CE2 3.9Å; C103-F107 WeakPolarHBondContact O-CD2 3.19Å; C103-F107 PolarHBondContact O-N 2.93Å; C103-L143 HydrophobicContact CB-CD1 4.02Å
104Q97.9Very high95.8Very high70 Ų7040.4 Ų40.433%0.32722%0.217SC..Hα-helixtrans-58.3-40.3-173-60.9180-10.300114.7L100 R101 Y106 F107 T108 Y170L100-Q104 WeakPolarHBondContact O-CG 3.48Å; L100-Q104 PolarHBondContact O-N 2.95Å; R101-Q104 WeakPolarHBondContact O-CB 3.29Å; R101-Q104 WeakPolarHBondContact O-CG 3.35Å; R101-Q104 PolarHBondContact O-N 2.99Å; R101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-Y106 VanDerWaalsContact C-N 3.3Å; Q104-Y106 PolarHBondContact O-N 2.96Å; Q104-F107 PolarHBondContact O-N 3.49Å; Q104-T108 WeakPolarHBondContact O-CB 3.31Å; Q104-T108 PolarHBondContact O-N 2.87Å; Q104-T108 PolarHBondContact O-OG1 3.05Å; Q104-Y170 HydrophobicContact CB-CD1 3.7Å; Q104-Y170 HydrophobicContact CB-CE1 4Å; Q104-Y170 HydrophobicContact CG-CD1 3.71Å; Q104-Y170 HydrophobicContact CG-CE1 4.48Å; Q104-Y170 HydrophobicContact CG-CG 4.42Å
105P97.9Very high96Very high89 Ų8937.1 Ų37.158%0.57819%0.194SC*.Hα-helixtrans-63.9-36.6175.9-22.535000112.3T102 T108 Y109T102-P105 WeakPolarHBondContact O-CD 3.24Å; P105-T108 PolarHBondContact O-N 3.41Å; P105-Y109 WeakPolarHBondContact O-CB 3.33Å; P105-Y109 PolarHBondContact O-N 3.25Å
106Y98.3Very high96.1Very high18 Ų1836.6 Ų36.67%0.07119%0.192CC..Hα-helixtrans-66.5-48.2178.2-174-102.9000111I62 Q65 F66 L69 C103 Q104 T108 Y109 L110 L139I62-Y106 HydrophobicContact CG2-CE2 4.12Å; I62-Y106 WeakPolarHBondContact CG2-OH 3.44Å; I62-Y106 PolarHBondContact O-OH 2.89Å; Q65-Y106 HydrophobicContact CB-CD2 4.2Å; Q65-Y106 HydrophobicContact CB-CE2 3.83Å; Q65-Y106 HydrophobicContact CG-CD2 3.54Å; Q65-Y106 HydrophobicContact CG-CE2 3.7Å; Q65-Y106 HydrophobicContact CG-CG 4.43Å; F66-Y106 HydrophobicContact CB-CE1 4.37Å; F66-Y106 VanDerWaalsContact CB-OH 3.3Å; F66-Y106 WeakPolarHBondContact CB-OH 3.47Å; F66-Y106 HydrophobicContact CD2-CE1 4.38Å; L69-Y106 HydrophobicContact CD1-CD1 3.64Å; L69-Y106 HydrophobicContact CD1-CD2 4.31Å; L69-Y106 HydrophobicContact CD1-CE1 4.3Å; L69-Y106 HydrophobicContact CD1-CG 3.65Å; C103-Y106 WeakPolarHBondContact O-CB 3.38Å; C103-Y106 PolarHBondContact O-N 2.84Å; Q104-Y106 VanDerWaalsContact C-N 3.3Å; Q104-Y106 PolarHBondContact O-N 2.96Å; Y106-T108 PolarHBondContact O-N 2.91Å; Y106-Y109 WeakPolarHBondContact O-CB 3.12Å; Y106-Y109 PolarHBondContact O-N 3.45Å; Y106-L110 HydrophobicContact CD1-CD1 3.89Å; Y106-L110 HydrophobicContact CD1-CG 4.34Å; Y106-L110 HydrophobicContact CE1-CD1 3.33Å; Y106-L110 HydrophobicContact CE1-CD2 4.4Å; Y106-L110 HydrophobicContact CE1-CG 3.95Å; Y106-L110 WeakPolarHBondContact O-CG 3.21Å; Y106-L110 PolarHBondContact O-N 3.23Å; Y106-L139 HydrophobicContact CD1-CD2 3.68Å; Y106-L139 HydrophobicContact CE1-CD2 4.11Å
107F98.4Very high95.7Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-55.3-49.8171.9-83-62.3000112.5C103 Q104 Y109 L110 E111 S136 L139 C140 L143 I171C103-F107 HydrophobicContact CB-CD2 4.03Å; C103-F107 HydrophobicContact CB-CE2 3.9Å; C103-F107 WeakPolarHBondContact O-CD2 3.19Å; C103-F107 PolarHBondContact O-N 2.93Å; Q104-F107 PolarHBondContact O-N 3.49Å; F107-Y109 VanDerWaalsContact C-N 3.27Å; F107-Y109 PolarHBondContact O-N 3.42Å; F107-L110 PolarHBondContact O-N 3.34Å; F107-E111 VanDerWaalsContact O-CB 3.29Å; F107-E111 WeakPolarHBondContact O-CB 3.48Å; F107-E111 VanDerWaalsContact O-CG 3.27Å; F107-E111 WeakPolarHBondContact O-CG 3.5Å; F107-E111 PolarHBondContact O-N 2.64Å; F107-S136 WeakPolarHBondContact CE1-O 3.16Å; F107-L139 HydrophobicContact CD2-CD2 4.49Å; F107-L139 HydrophobicContact CE1-CB 4.23Å; F107-L139 HydrophobicContact CE1-CD2 4.17Å; F107-L139 HydrophobicContact CE1-CG 4.28Å; F107-L139 HydrophobicContact CE2-CD2 3.92Å; F107-L139 HydrophobicContact CE2-CG 4.19Å; F107-L139 HydrophobicContact CZ-CB 4.04Å; F107-L139 HydrophobicContact CZ-CD2 3.73Å; F107-L139 HydrophobicContact CZ-CG 3.67Å; F107-C140 HydrophobicContact CE1-CB 4.2Å; F107-C140 HydrophobicContact CZ-CB 4.29Å; F107-L143 HydrophobicContact CE2-CD1 3.57Å; F107-L143 HydrophobicContact CZ-CD1 3.85Å; F107-I171 WeakPolarHBondContact CB-O 3.5Å; F107-I171 HydrophobicContact CD1-CB 4.18Å; F107-I171 WeakPolarHBondContact CD1-O 3.37Å; F107-I171 HydrophobicContact CE1-CB 4.25Å; F107-I171 HydrophobicContact CE1-CG2 4.45Å; F107-I171 HydrophobicContact CZ-CG2 4.41Å
108T98Very high94.9Very high31 Ų3142.1 Ų42.119%0.1922%0.222CC..Hα-helixtrans-55.3-45.2177.7-61.40000111.3Q104 P105 Y106 S112 Y170 K173Q104-T108 WeakPolarHBondContact O-CB 3.31Å; Q104-T108 PolarHBondContact O-N 2.87Å; Q104-T108 PolarHBondContact O-OG1 3.05Å; P105-T108 PolarHBondContact O-N 3.41Å; Y106-T108 PolarHBondContact O-N 2.91Å; T108-S112 WeakPolarHBondContact O-CB 3.43Å; T108-S112 PolarHBondContact O-N 3.43Å; T108-S112 PolarHBondContact O-OG 3.33Å; T108-Y170 VanDerWaalsContact OG1-CE1 3.26Å; T108-Y170 WeakPolarHBondContact OG1-CE1 3.5Å; T108-Y170 PolarHBondContact OG1-OH 3.28Å; T108-K173 HydrophobicContact CG2-CD 4.35Å; T108-K173 HydrophobicContact CG2-CG 3.83Å
109Y97.4Very high93.9Very high109 Ų10945.7 Ų45.743%0.42725%0.246SC..Hα-helixtrans-62-47.6178.8174.4-98.3000111.9I62 P105 Y106 F107 S112 T113I62-Y109 HydrophobicContact CD1-CE1 3.66Å; I62-Y109 WeakPolarHBondContact CD1-OH 3.38Å; I62-Y109 HydrophobicContact CG1-CE1 3.81Å; I62-Y109 HydrophobicContact CG2-CE1 4.2Å; P105-Y109 WeakPolarHBondContact O-CB 3.33Å; P105-Y109 PolarHBondContact O-N 3.25Å; Y106-Y109 WeakPolarHBondContact O-CB 3.12Å; Y106-Y109 PolarHBondContact O-N 3.45Å; F107-Y109 VanDerWaalsContact C-N 3.27Å; F107-Y109 PolarHBondContact O-N 3.42Å; Y109-S112 PolarHBondContact O-OG 3.28Å; Y109-T113 WeakPolarHBondContact O-CB 3.34Å; Y109-T113 PolarHBondContact O-N 3.27Å; Y109-T113 PolarHBondContact O-OG1 3.16Å
110L97.4Very high92.7Very high0 Ų054.3 Ų54.30%029%0.286CS..Hα-helixtrans-61.2-52.6178.5-65.9-177.9000111.8I62 Y106 F107 T113 A114 L132 F135I62-L110 HydrophobicContact CG2-CD2 3.68Å; Y106-L110 HydrophobicContact CD1-CD1 3.89Å; Y106-L110 HydrophobicContact CD1-CG 4.34Å; Y106-L110 HydrophobicContact CE1-CD1 3.33Å; Y106-L110 HydrophobicContact CE1-CD2 4.4Å; Y106-L110 HydrophobicContact CE1-CG 3.95Å; Y106-L110 WeakPolarHBondContact O-CG 3.21Å; Y106-L110 PolarHBondContact O-N 3.23Å; F107-L110 PolarHBondContact O-N 3.34Å; L110-T113 PolarHBondContact O-N 3.31Å; L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 3.15Å; L110-L132 HydrophobicContact CD2-CB 4.09Å; L110-L132 HydrophobicContact CD2-CD2 3.6Å; L110-L132 HydrophobicContact CD2-CG 4.42Å; L110-F135 HydrophobicContact CD1-CB 3.77Å; L110-F135 HydrophobicContact CD2-CB 4.48Å; L110-F135 HydrophobicContact CD2-CD2 4.41Å
111E96.8Very high91.8Very high3 Ų362.2 Ų62.21%0.01432%0.315CS..Hα-helixtrans-62.5-50-176.6-72.9-65142.600112.1F107 T113 A114 R115 S136 I171 I183F107-E111 VanDerWaalsContact O-CB 3.29Å; F107-E111 WeakPolarHBondContact O-CB 3.48Å; F107-E111 VanDerWaalsContact O-CG 3.27Å; F107-E111 WeakPolarHBondContact O-CG 3.5Å; F107-E111 PolarHBondContact O-N 2.64Å; E111-T113 PolarHBondContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.01Å; E111-R115 WeakPolarHBondContact O-CB 3.16Å; E111-R115 PolarHBondContact O-N 2.74Å; E111-R115 IonicContact OE1-NH1 2.74Å; E111-R115 PolarHBondContact OE1-NH1 3.09Å; E111-R115 IonicContact OE2-CZ 2.73Å; E111-R115 IonicContact OE2-NH1 3.51Å; E111-R115 PolarHBondContact OE2-NH1 3.45Å; E111-S136 PolarHBondContact OE1-OG 3.29Å; E111-I171 VanDerWaalsContact CG-O 3.27Å; E111-I171 WeakPolarHBondContact CG-O 3.38Å; E111-I183 HydrophobicContact CG-CD1 4.28Å; E111-I183 VanDerWaalsContact OE2-CD1 3.22Å; E111-I183 WeakPolarHBondContact OE2-CD1 3.27Å
112S95.4Very high91Very high35 Ų3566.4 Ų66.425%0.24533%0.331CS..Hα-helixtrans-66.2-39.9178.7630000112.1T108 Y109 A114 S116 K173T108-S112 WeakPolarHBondContact O-CB 3.43Å; T108-S112 PolarHBondContact O-N 3.43Å; T108-S112 PolarHBondContact O-OG 3.33Å; Y109-S112 PolarHBondContact O-OG 3.28Å; S112-A114 VanDerWaalsContact C-N 3.35Å; S112-S116 WeakPolarHBondContact CA-OG 3.48Å; S112-S116 WeakPolarHBondContact O-CB 3.47Å; S112-S116 PolarHBondContact O-N 2.8Å; S112-S116 PolarHBondContact O-OG 3.19Å; S112-K173 WeakPolarHBondContact CA-O 3.17Å; S112-K173 WeakPolarHBondContact CB-O 3.34Å; S112-K173 PolarHBondContact N-O 2.89Å; S112-K173 VanDerWaalsContact N-O 3.17Å
113T94.3Very high90.2Very high32 Ų3267.1 Ų67.120%0.19634%0.337CS..Hα-helixtrans-68.9-37179.9-59.70000111.4Y109 L110 E111 L124 L132Y109-T113 WeakPolarHBondContact O-CB 3.34Å; Y109-T113 PolarHBondContact O-N 3.27Å; Y109-T113 PolarHBondContact O-OG1 3.16Å; L110-T113 PolarHBondContact O-N 3.31Å; E111-T113 PolarHBondContact O-N 3.08Å; T113-L124 HydrophobicContact CG2-CD1 3.42Å; T113-L124 VanDerWaalsContact CG2-CD1 3.42Å; T113-L124 WeakPolarHBondContact O-CD1 3.2Å; T113-L132 HydrophobicContact CG2-CD1 3.61Å
114A94.5Very high89.6Confident1 Ų169.4 Ų69.41%0.00835%0.349CS..Hα-helixtrans-81.5-31-178.600000113.8L110 E111 S112 R129 L132 L133L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 3.15Å; E111-A114 PolarHBondContact O-N 3.01Å; S112-A114 VanDerWaalsContact C-N 3.35Å; A114-R129 HydrophobicContact CB-CB 4.42Å; A114-R129 VanDerWaalsContact O-CZ 3.29Å; A114-R129 PolarHBondContact O-NE 2.97Å; A114-R129 PolarHBondContact O-NH2 3.2Å; A114-R129 VanDerWaalsContact O-NH2 3.09Å; A114-L132 HydrophobicContact CB-CB 4.17Å; A114-L132 HydrophobicContact CB-CD1 4.39Å; A114-L133 HydrophobicContact CB-CD1 4.43Å; A114-L133 HydrophobicContact CB-CD2 3.46Å; A114-L133 VanDerWaalsContact CB-CD2 3.46Å; A114-L133 HydrophobicContact CB-CG 3.76Å
115R93.6Very high89.3Confident10 Ų1068.8 Ų68.84%0.03835%0.351CS..Hα-helixtrans-114.1-26.3-170.6-64.9-172.5165.493.87.3115E111 T117 L133 C174 C322 D326E111-R115 WeakPolarHBondContact O-CB 3.16Å; E111-R115 PolarHBondContact O-N 2.74Å; E111-R115 IonicContact OE1-NH1 2.74Å; E111-R115 PolarHBondContact OE1-NH1 3.09Å; E111-R115 IonicContact OE2-CZ 2.73Å; E111-R115 IonicContact OE2-NH1 3.51Å; E111-R115 PolarHBondContact OE2-NH1 3.45Å; R115-T117 PolarHBondContact O-N 3.12Å; R115-L133 HydrophobicContact CG-CD2 4.47Å; R115-L133 VanDerWaalsContact CZ-CD2 3.41Å; R115-C174 HydrophobicContact CB-CB 3.72Å; R115-C322 VanDerWaalsContact NH2-CA 3.31Å; R115-C322 PolarHBondContact NH2-O 3.15Å; R115-D326 IonicContact CZ-OD1 2.64Å; R115-D326 VanDerWaalsContact CZ-OD1 3.29Å; R115-D326 IonicContact NE-OD1 2.63Å; R115-D326 PolarHBondContact NE-OD1 3.42Å; R115-D326 IonicContact NH2-OD1 3.02Å; R115-D326 PolarHBondContact NH2-OD1 2.88Å; R115-D326 IonicContact NH2-OD2 2.68Å
116S92.3Very high88.9Confident36 Ų3670.8 Ų70.825%0.25235%0.354SS..  trans-68.9135.9-171.2-61.40000112.8S112 Q175S112-S116 WeakPolarHBondContact CA-OG 3.48Å; S112-S116 WeakPolarHBondContact O-CB 3.47Å; S112-S116 PolarHBondContact O-N 2.8Å; S112-S116 PolarHBondContact O-OG 3.19Å; S116-Q175 CarbonylContact C-O 3.54Å; S116-Q175 WeakPolarHBondContact CA-O 3.45Å; S116-Q175 WeakPolarHBondContact CB-O 3.47Å; S116-Q175 PolarHBondContact OG-N 3.5Å; S116-Q175 PolarHBondContact OG-O 3.25Å
117T86.1Confident88.6Confident53 Ų5374.1 Ų74.133%0.32537%0.368SS..BIsolated β-bridgetrans-103.8121170.756.20000108.9R115 Q175 I176 D177R115-T117 PolarHBondContact O-N 3.12Å; T117-Q175 PolarHBondContact N-O 3.45Å; T117-I176 WeakPolarHBondContact OG1-CA 3.28Å; T117-D177 PolarHBondContact OG1-N 2.89Å; T117-D177 PolarHBondContact OG1-OD1 2.86Å
118L77.6Confident88.3Confident88 Ų8874.3 Ų74.346%0.46137%0.369SS..  trans-117.6131.6175.2-78.8160.7000107.7Q120 R121L118-Q120 PolarHBondContact O-N 3.45Å; L118-R121 HydrophobicContact CB-CB 4.05Å; L118-R121 PolarHBondContact O-N 2.83Å
119P71.9Confident88.1Confident130 Ų13076.5 Ų76.584%0.84437%0.373SS*.THydrogen-bonded Turntrans-53.8-25-174.7-28.333.9000114.9
120Q72.4Confident88Confident196 Ų19673.9 Ų73.992%0.91637%0.371SS*.THydrogen-bonded Turntrans-102.8-0.9-175.5-63.9173.2-5.400113.7L118L118-Q120 PolarHBondContact O-N 3.45Å
121R76.6Confident87.9Confident177 Ų17777.9 Ų77.967%0.66839%0.386SS*.SBendtrans-117.3126.7-174.8-124.6-169.1-170.1-159.85.1110.7L118L118-R121 HydrophobicContact CB-CB 4.05Å; L118-R121 PolarHBondContact O-N 2.83Å
122R79.2Confident87.9Confident233 Ų23377.8 Ų77.888%0.87939%0.386SS*.PPolyproline II helixtrans-63.4138.2168.9-73.1-171.3-177.7176.41.4109.6
123P79.8Confident88Confident99 Ų9977.1 Ų77.164%0.64338%0.379SS*.PPolyproline II helixtrans-56.4143.9172.6-22.132000110.6
124L86.9Confident88.2Confident47 Ų4778.7 Ų78.725%0.24639%0.386CS..PPolyproline II helixtrans-64.1151.7172.4-71.8175.6000110.8M55 T113 I128 R129 L132M55-L124 HydrophobicContact CE-CD2 3.86Å; T113-L124 HydrophobicContact CG2-CD1 3.42Å; T113-L124 VanDerWaalsContact CG2-CD1 3.42Å; T113-L124 WeakPolarHBondContact O-CD1 3.2Å; L124-I128 HydrophobicContact CD1-CG2 4.08Å; L124-R129 HydrophobicContact CB-CG 3.81Å; L124-R129 WeakPolarHBondContact O-CD 3.13Å; L124-L132 HydrophobicContact CD1-CD1 4.46Å
125P90.1Very high88.4Confident58 Ų5879 Ų7938%0.37739%0.387SS..PPolyproline II helixtrans-52.6142.6171.5-26.335000111.7Y127 I128 R129P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 HydrophobicContact CB-CD1 3.55Å; P125-Y127 HydrophobicContact CB-CE1 3.4Å; P125-Y127 VanDerWaalsContact CB-CE1 3.4Å; P125-Y127 HydrophobicContact CG-CE1 4.05Å; P125-Y127 PolarHBondContact O-N 3.24Å; P125-I128 HydrophobicContact CB-CG1 4.34Å; P125-I128 WeakPolarHBondContact O-CB 3.06Å; P125-I128 PolarHBondContact O-N 3.26Å; P125-R129 PolarHBondContact O-N 3.03Å; P125-R129 VanDerWaalsContact O-N 3.17Å
126M90.3Very high88.6Confident130 Ų13078.6 Ų78.664%0.6439%0.386SS*.Hα-helixtrans-56.3-40.2-173.8-171.259.8-169.400112.5I128 R129 S130M126-I128 VanDerWaalsContact C-N 3.3Å; M126-I128 PolarHBondContact O-N 3.26Å; M126-R129 PolarHBondContact O-N 3.16Å; M126-S130 WeakPolarHBondContact O-CB 3.46Å; M126-S130 PolarHBondContact O-N 2.91Å; M126-S130 PolarHBondContact O-OG 3.3Å; M126-S130 VanDerWaalsContact O-OG 3.09Å
127Y91.8Very high88.8Confident89 Ų8979 Ų7935%0.34938%0.384SS..Hα-helixtrans-61.8-35.7179.580.4-87.2000113.2M55 P125 R131M55-Y127 WeakPolarHBondContact CB-OH 3.42Å; P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 HydrophobicContact CB-CD1 3.55Å; P125-Y127 HydrophobicContact CB-CE1 3.4Å; P125-Y127 VanDerWaalsContact CB-CE1 3.4Å; P125-Y127 HydrophobicContact CG-CE1 4.05Å; P125-Y127 PolarHBondContact O-N 3.24Å; Y127-R131 WeakPolarHBondContact O-CB 3.43Å; Y127-R131 PolarHBondContact O-N 2.94Å; Y127-R131 VanDerWaalsContact O-N 3.07Å
128I92.8Very high89.4Confident4 Ų481.3 Ų81.32%0.02139%0.39CS..Hα-helixtrans-68.7-48.1175.5-61.6-65.7000109.6M55 L59 L124 P125 M126 S130 R131 L132M55-I128 HydrophobicContact CB-CD1 4.09Å; M55-I128 HydrophobicContact CE-CD1 4.2Å; M55-I128 HydrophobicContact CE-CG1 3.84Å; M55-I128 HydrophobicContact CE-CG2 4.33Å; L59-I128 HydrophobicContact CD1-CD1 3.42Å; L59-I128 VanDerWaalsContact CD1-CD1 3.42Å; L59-I128 HydrophobicContact CD2-CD1 4.47Å; L59-I128 HydrophobicContact CD2-CG2 4.38Å; L59-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CD1-CG2 4.08Å; P125-I128 HydrophobicContact CB-CG1 4.34Å; P125-I128 WeakPolarHBondContact O-CB 3.06Å; P125-I128 PolarHBondContact O-N 3.26Å; M126-I128 VanDerWaalsContact C-N 3.3Å; M126-I128 PolarHBondContact O-N 3.26Å; I128-S130 PolarHBondContact O-N 3.17Å; I128-R131 PolarHBondContact O-N 3.08Å; I128-L132 HydrophobicContact CG2-CD1 4.13Å; I128-L132 HydrophobicContact CG2-CG 4.41Å; I128-L132 WeakPolarHBondContact O-CG 3.47Å; I128-L132 PolarHBondContact O-N 2.79Å
129R93.8Very high90.3Very high77 Ų7777.1 Ų77.129%0.29137%0.368SS..Hα-helixtrans-56.4-53.2178.5-62.617466.6178.12.5109.9A114 L124 P125 M126 R131 L132 L133A114-R129 HydrophobicContact CB-CB 4.42Å; A114-R129 VanDerWaalsContact O-CZ 3.29Å; A114-R129 PolarHBondContact O-NE 2.97Å; A114-R129 PolarHBondContact O-NH2 3.2Å; A114-R129 VanDerWaalsContact O-NH2 3.09Å; L124-R129 HydrophobicContact CB-CG 3.81Å; L124-R129 WeakPolarHBondContact O-CD 3.13Å; P125-R129 PolarHBondContact O-N 3.03Å; P125-R129 VanDerWaalsContact O-N 3.17Å; M126-R129 PolarHBondContact O-N 3.16Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 2.68Å; R129-L132 PolarHBondContact O-N 2.96Å; R129-L133 VanDerWaalsContact O-CG 3.28Å; R129-L133 WeakPolarHBondContact O-CG 3.38Å; R129-L133 PolarHBondContact O-N 3.01Å
130S94.7Very high91.6Very high54 Ų5471 Ų7138%0.37833%0.328SS..Hα-helixtrans-55.9-40.4177.8-61.10000112.7M126 I128 L133 D134M126-S130 WeakPolarHBondContact O-CB 3.46Å; M126-S130 PolarHBondContact O-N 2.91Å; M126-S130 PolarHBondContact O-OG 3.3Å; M126-S130 VanDerWaalsContact O-OG 3.09Å; I128-S130 PolarHBondContact O-N 3.17Å; S130-L133 PolarHBondContact O-N 2.87Å; S130-D134 WeakPolarHBondContact O-CB 3.18Å; S130-D134 PolarHBondContact O-N 3.24Å
131R95.9Very high92.7Very high83 Ų8364 Ų6431%0.31330%0.303SS..Hα-helixtrans-68.6-39.7179.2-168.7165.9178.7-173.10.7112.8D56 E63 Y127 I128 R129 L133 D134 F135D56-R131 IonicContact OD1-NH1 3.4Å; E63-R131 IonicContact OE1-NH2 3.71Å; E63-R131 PolarHBondContact OE1-NH2 3.33Å; E63-R131 IonicContact OE2-NH2 3.24Å; E63-R131 PolarHBondContact OE2-NH2 2.81Å; Y127-R131 WeakPolarHBondContact O-CB 3.43Å; Y127-R131 PolarHBondContact O-N 2.94Å; Y127-R131 VanDerWaalsContact O-N 3.07Å; I128-R131 PolarHBondContact O-N 3.08Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 2.68Å; R131-L133 VanDerWaalsContact C-N 3.33Å; R131-D134 PolarHBondContact O-N 2.93Å; R131-F135 HydrophobicContact CG-CE1 4.34Å; R131-F135 HydrophobicContact CG-CE2 4.25Å; R131-F135 HydrophobicContact CG-CZ 3.95Å; R131-F135 WeakPolarHBondContact O-CG 3.27Å; R131-F135 PolarHBondContact O-N 3.39Å; R131-F135 VanDerWaalsContact O-N 3.12Å
132L97.2Very high93.7Very high2 Ų257.7 Ų57.71%0.0128%0.28CS..Hα-helixtrans-64.1-40.6174-64174.5000111.5L59 I62 L110 T113 A114 L124 I128 R129 F135 S136L59-L132 HydrophobicContact CD2-CD2 3.91Å; I62-L132 HydrophobicContact CD1-CD2 4.05Å; I62-L132 HydrophobicContact CG2-CD2 3.96Å; L110-L132 HydrophobicContact CD2-CB 4.09Å; L110-L132 HydrophobicContact CD2-CD2 3.6Å; L110-L132 HydrophobicContact CD2-CG 4.42Å; T113-L132 HydrophobicContact CG2-CD1 3.61Å; A114-L132 HydrophobicContact CB-CB 4.17Å; A114-L132 HydrophobicContact CB-CD1 4.39Å; L124-L132 HydrophobicContact CD1-CD1 4.46Å; I128-L132 HydrophobicContact CG2-CD1 4.13Å; I128-L132 HydrophobicContact CG2-CG 4.41Å; I128-L132 WeakPolarHBondContact O-CG 3.47Å; I128-L132 PolarHBondContact O-N 2.79Å; R129-L132 PolarHBondContact O-N 2.96Å; L132-F135 PolarHBondContact O-N 3.43Å; L132-S136 PolarHBondContact O-N 3.11Å
133L97.1Very high94.6Very high21 Ų2146.6 Ų46.611%0.1124%0.238CC..Hα-helixtrans-67.4-37.3176.9-65.5-174.3000112.7A114 R115 R129 S130 R131 F135 S136 Q137 C322A114-L133 HydrophobicContact CB-CD1 4.43Å; A114-L133 HydrophobicContact CB-CD2 3.46Å; A114-L133 VanDerWaalsContact CB-CD2 3.46Å; A114-L133 HydrophobicContact CB-CG 3.76Å; R115-L133 HydrophobicContact CG-CD2 4.47Å; R115-L133 VanDerWaalsContact CZ-CD2 3.41Å; R129-L133 VanDerWaalsContact O-CG 3.28Å; R129-L133 WeakPolarHBondContact O-CG 3.38Å; R129-L133 PolarHBondContact O-N 3.01Å; S130-L133 PolarHBondContact O-N 2.87Å; R131-L133 VanDerWaalsContact C-N 3.33Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 PolarHBondContact O-N 3Å; L133-S136 WeakPolarHBondContact O-CB 3.37Å; L133-S136 PolarHBondContact O-N 3.37Å; L133-Q137 WeakPolarHBondContact O-CB 3.42Å; L133-Q137 PolarHBondContact O-N 3.13Å; L133-C322 PolarHBondContact O-SG 3.12Å
134D97.6Very high95.3Very high64 Ų6442.9 Ų42.934%0.34221%0.212SC..Hα-helixtrans-62.1-40.9173.117963.8000111.8S130 R131 Q137 K138S130-D134 WeakPolarHBondContact O-CB 3.18Å; S130-D134 PolarHBondContact O-N 3.24Å; R131-D134 PolarHBondContact O-N 2.93Å; D134-Q137 PolarHBondContact O-N 2.95Å; D134-K138 WeakPolarHBondContact O-CB 3.45Å; D134-K138 WeakPolarHBondContact O-CG 3.22Å; D134-K138 PolarHBondContact O-N 3.31Å; D134-K138 WeakPolarHBondContact OD1-CE 3.17Å; D134-K138 IonicContact OD1-NZ 3.02Å; D134-K138 PolarHBondContact OD1-NZ 3.11Å; D134-K138 VanDerWaalsContact OD2-CE 3.26Å; D134-K138 WeakPolarHBondContact OD2-CE 3.05Å; D134-K138 IonicContact OD2-NZ 3.26Å; D134-K138 PolarHBondContact OD2-NZ 3.04Å
135F98.1Very high95.7Very high7 Ų745 Ų453%0.03122%0.22CC..Hα-helixtrans-61.3-43.8171.9-63.1-24.6000112.2I62 E63 F66 L110 R131 L132 L133 L139I62-F135 HydrophobicContact CG2-CD2 4.21Å; I62-F135 HydrophobicContact CG2-CE2 4.36Å; E63-F135 HydrophobicContact CB-CE2 4.21Å; E63-F135 HydrophobicContact CB-CZ 3.93Å; E63-F135 HydrophobicContact CG-CZ 4.01Å; F66-F135 AromaticContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CE1 4.11Å; F66-F135 HydrophobicContact CD1-CG 4.38Å; F66-F135 HydrophobicContact CD2-CB 3.96Å; F66-F135 HydrophobicContact CD2-CD1 4.43Å; F66-F135 HydrophobicContact CD2-CG 4.35Å; F66-F135 AromaticContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CE1 4.3Å; F66-F135 HydrophobicContact CE2-CB 4.17Å; F66-F135 HydrophobicContact CE2-CD1 4.47Å; F66-F135 VanDerWaalsContact CE2-O 3.29Å; F66-F135 WeakPolarHBondContact CE2-O 3.13Å; F66-F135 HydrophobicContact CG-CB 4.3Å; F66-F135 HydrophobicContact CG-CD1 4.1Å; F66-F135 HydrophobicContact CG-CG 4.2Å; F66-F135 HydrophobicContact CZ-CD1 4.19Å; L110-F135 HydrophobicContact CD1-CB 3.77Å; L110-F135 HydrophobicContact CD2-CB 4.48Å; L110-F135 HydrophobicContact CD2-CD2 4.41Å; R131-F135 HydrophobicContact CG-CE1 4.34Å; R131-F135 HydrophobicContact CG-CE2 4.25Å; R131-F135 HydrophobicContact CG-CZ 3.95Å; R131-F135 WeakPolarHBondContact O-CG 3.27Å; R131-F135 PolarHBondContact O-N 3.39Å; R131-F135 VanDerWaalsContact O-N 3.12Å; L132-F135 PolarHBondContact O-N 3.43Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 PolarHBondContact O-N 3Å; F135-L139 WeakPolarHBondContact O-CB 3.26Å; F135-L139 PolarHBondContact O-N 3.24Å
136S97.9Very high96Very high2 Ų242.3 Ų42.31%0.01420%0.203CC..Hα-helixtrans-58.6-50.4176.2-174.90000110.5F107 E111 L132 L133 K138 L139 C140F107-S136 WeakPolarHBondContact CE1-O 3.16Å; E111-S136 PolarHBondContact OE1-OG 3.29Å; L132-S136 PolarHBondContact O-N 3.11Å; L133-S136 WeakPolarHBondContact O-CB 3.37Å; L133-S136 PolarHBondContact O-N 3.37Å; S136-K138 PolarHBondContact O-N 3.49Å; S136-L139 PolarHBondContact O-N 3.29Å; S136-C140 VanDerWaalsContact O-CB 3.25Å; S136-C140 WeakPolarHBondContact O-CB 3.34Å; S136-C140 PolarHBondContact O-N 3.02Å
137Q97.4Very high96.2Very high46 Ų4636.1 Ų36.122%0.21517%0.172CC..Hα-helixtrans-61.3-46.4-179.4-17759.850.400112.6L133 D134 C140 A141L133-Q137 WeakPolarHBondContact O-CB 3.42Å; L133-Q137 PolarHBondContact O-N 3.13Å; D134-Q137 PolarHBondContact O-N 2.95Å; Q137-C140 PolarHBondContact O-N 2.73Å; Q137-A141 PolarHBondContact O-N 2.91Å
138K97.9Very high96.3Very high101 Ų10134.8 Ų34.844%0.43917%0.171SC..Hα-helixtrans-65.9-43.6-179.9-75.4171.7176.3165.40112.1F66 D134 S136 A141 R142F66-K138 HydrophobicContact CE2-CB 3.97Å; F66-K138 HydrophobicContact CZ-CB 3.63Å; F66-K138 HydrophobicContact CZ-CD 4.02Å; F66-K138 HydrophobicContact CZ-CG 4.48Å; D134-K138 WeakPolarHBondContact O-CB 3.45Å; D134-K138 WeakPolarHBondContact O-CG 3.22Å; D134-K138 PolarHBondContact O-N 3.31Å; D134-K138 WeakPolarHBondContact OD1-CE 3.17Å; D134-K138 IonicContact OD1-NZ 3.02Å; D134-K138 PolarHBondContact OD1-NZ 3.11Å; D134-K138 VanDerWaalsContact OD2-CE 3.26Å; D134-K138 WeakPolarHBondContact OD2-CE 3.05Å; D134-K138 IonicContact OD2-NZ 3.26Å; D134-K138 PolarHBondContact OD2-NZ 3.04Å; S136-K138 PolarHBondContact O-N 3.49Å; K138-A141 PolarHBondContact O-N 3.07Å; K138-R142 WeakPolarHBondContact O-CB 3.36Å; K138-R142 PolarHBondContact O-N 2.87Å
139L98.1Very high96.3Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-64.5-44.1176.5-177.561.2000110.7F66 L69 L70 Y106 F107 F135 S136 A141 R142 L143F66-L139 HydrophobicContact CD2-CB 4.38Å; F66-L139 HydrophobicContact CE2-CB 4.05Å; L69-L139 HydrophobicContact CB-CD1 3.97Å; L69-L139 HydrophobicContact CB-CD2 4.49Å; L69-L139 HydrophobicContact CD1-CD2 3.88Å; L70-L139 HydrophobicContact CD2-CD1 4.13Å; Y106-L139 HydrophobicContact CD1-CD2 3.68Å; Y106-L139 HydrophobicContact CE1-CD2 4.11Å; F107-L139 HydrophobicContact CD2-CD2 4.49Å; F107-L139 HydrophobicContact CE1-CB 4.23Å; F107-L139 HydrophobicContact CE1-CD2 4.17Å; F107-L139 HydrophobicContact CE1-CG 4.28Å; F107-L139 HydrophobicContact CE2-CD2 3.92Å; F107-L139 HydrophobicContact CE2-CG 4.19Å; F107-L139 HydrophobicContact CZ-CB 4.04Å; F107-L139 HydrophobicContact CZ-CD2 3.73Å; F107-L139 HydrophobicContact CZ-CG 3.67Å; F135-L139 WeakPolarHBondContact O-CB 3.26Å; F135-L139 PolarHBondContact O-N 3.24Å; S136-L139 PolarHBondContact O-N 3.29Å; L139-A141 PolarHBondContact O-N 3.18Å; L139-R142 PolarHBondContact O-N 2.93Å; L139-L143 HydrophobicContact CD1-CD1 4.21Å; L139-L143 HydrophobicContact CD1-CD2 4.4Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 3.99Å; L139-L143 HydrophobicContact CG-CG 4.25Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.06Å
140C97.4Very high96.2Very high1 Ų131.9 Ų31.91%0.00716%0.162CC..Hα-helixtrans-54.7-51.3175.7179.30000111.6F107 S136 Q137 R142 L143 E144 I171F107-C140 HydrophobicContact CE1-CB 4.2Å; F107-C140 HydrophobicContact CZ-CB 4.29Å; S136-C140 VanDerWaalsContact O-CB 3.25Å; S136-C140 WeakPolarHBondContact O-CB 3.34Å; S136-C140 PolarHBondContact O-N 3.02Å; Q137-C140 PolarHBondContact O-N 2.73Å; C140-R142 VanDerWaalsContact C-N 3.3Å; C140-R142 PolarHBondContact O-N 2.74Å; C140-L143 PolarHBondContact O-N 3.24Å; C140-E144 WeakPolarHBondContact O-CB 3.26Å; C140-E144 PolarHBondContact O-N 2.73Å; C140-I171 HydrophobicContact CB-CG2 4.46Å
141A96.5Very high96.1Very high48 Ų4829.8 Ų29.840%0.39715%0.148SC..Hα-helixtrans-60.1-40.1178.600000112.1Q137 K138 L139 E144 Q145Q137-A141 PolarHBondContact O-N 2.91Å; K138-A141 PolarHBondContact O-N 3.07Å; L139-A141 PolarHBondContact O-N 3.18Å; A141-E144 PolarHBondContact O-N 2.72Å; A141-Q145 PolarHBondContact O-N 2.86Å
142R97.4Very high95.9Very high46 Ų4629.9 Ų29.917%0.17416%0.161CC..Hα-helixtrans-68.3-42.6179.8-167.166-179.3130.37.5112.8L70 A73 D74 K138 L139 C140 Q145 L146L70-R142 HydrophobicContact CD2-CB 3.72Å; L70-R142 HydrophobicContact CD2-CG 3.83Å; A73-R142 HydrophobicContact CB-CG 3.95Å; D74-R142 IonicContact OD1-CZ 3.53Å; D74-R142 IonicContact OD1-NE 3.51Å; D74-R142 PolarHBondContact OD1-NE 3.04Å; D74-R142 IonicContact OD1-NH2 3.39Å; D74-R142 PolarHBondContact OD1-NH2 2.88Å; K138-R142 WeakPolarHBondContact O-CB 3.36Å; K138-R142 PolarHBondContact O-N 2.87Å; L139-R142 PolarHBondContact O-N 2.93Å; C140-R142 VanDerWaalsContact C-N 3.3Å; C140-R142 PolarHBondContact O-N 2.74Å; R142-Q145 PolarHBondContact O-N 2.84Å; R142-L146 PolarHBondContact O-N 3.37Å
143L97.2Very high95.4Very high0 Ų033.3 Ų33.30%018%0.176CC..Hα-helixtrans-66.5-40.1176.2-66.7179.4000111.6A73 F99 L100 C103 F107 L139 C140 Q145 L146 V147 F169A73-L143 HydrophobicContact CB-CD2 4.4Å; F99-L143 HydrophobicContact CD1-CD2 3.96Å; F99-L143 HydrophobicContact CE1-CD2 3.4Å; F99-L143 VanDerWaalsContact CE1-CD2 3.4Å; F99-L143 HydrophobicContact CZ-CD2 4.24Å; L100-L143 HydrophobicContact CD2-CB 3.93Å; L100-L143 HydrophobicContact CD2-CD1 4Å; L100-L143 HydrophobicContact CD2-CD2 4.13Å; L100-L143 HydrophobicContact CD2-CG 4.24Å; C103-L143 HydrophobicContact CB-CD1 4.02Å; F107-L143 HydrophobicContact CE2-CD1 3.57Å; F107-L143 HydrophobicContact CZ-CD1 3.85Å; L139-L143 HydrophobicContact CD1-CD1 4.21Å; L139-L143 HydrophobicContact CD1-CD2 4.4Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 3.99Å; L139-L143 HydrophobicContact CG-CG 4.25Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.06Å; C140-L143 PolarHBondContact O-N 3.24Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.03Å; L143-L146 WeakPolarHBondContact O-CB 3.4Å; L143-L146 PolarHBondContact O-N 3.45Å; L143-V147 WeakPolarHBondContact O-CG2 3.4Å; L143-V147 PolarHBondContact O-N 3.44Å; L143-F169 HydrophobicContact CB-CE2 4.2Å; L143-F169 HydrophobicContact CB-CZ 4.12Å; L143-F169 HydrophobicContact CD1-CE2 4.31Å
144E96Very high95Very high21 Ų2138 Ų3810%0.09820%0.201CC..Hα-helixtrans-57.5-47.1173.6-172.7179.9147.500110.7C140 A141 L146 V147 L148 F169 R185 R203C140-E144 WeakPolarHBondContact O-CB 3.26Å; C140-E144 PolarHBondContact O-N 2.73Å; A141-E144 PolarHBondContact O-N 2.72Å; E144-L146 PolarHBondContact O-N 2.92Å; E144-V147 PolarHBondContact O-N 2.92Å; E144-L148 HydrophobicContact CG-CD1 4.12Å; E144-L148 WeakPolarHBondContact O-CB 3.42Å; E144-L148 WeakPolarHBondContact O-CG 3.47Å; E144-L148 PolarHBondContact O-N 3.2Å; E144-F169 HydrophobicContact CB-CE1 4.39Å; E144-F169 HydrophobicContact CB-CZ 4.43Å; E144-R185 IonicContact OE2-CZ 2.68Å; E144-R185 IonicContact OE2-NE 3.51Å; E144-R185 PolarHBondContact OE2-NE 2.88Å; E144-R185 IonicContact OE2-NH2 3.53Å; E144-R203 VanDerWaalsContact CD-NH1 3.34Å; E144-R203 IonicContact OE1-CZ 2.8Å; E144-R203 IonicContact OE1-NH1 3.09Å; E144-R203 PolarHBondContact OE1-NH1 3.43Å; E144-R203 IonicContact OE1-NH2 3.67Å; E144-R203 PolarHBondContact OE1-NH2 3.47Å; E144-R203 IonicContact OE2-CZ 2.54Å; E144-R203 IonicContact OE2-NH1 3.54Å; E144-R203 IonicContact OE2-NH2 2.97Å
145Q95.4Very high94.5Very high91 Ų9136 Ų3643%0.42519%0.189SC..Hα-helixtrans-61.7-41.4176.4-171-175-1.300112.7A141 R142 L143 T149A141-Q145 PolarHBondContact O-N 2.86Å; R142-Q145 PolarHBondContact O-N 2.84Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.03Å; Q145-T149 WeakPolarHBondContact O-CB 3.39Å; Q145-T149 PolarHBondContact O-N 2.75Å; Q145-T149 PolarHBondContact O-OG1 3.22Å
146L95.3Very high94.2Very high1 Ų136.4 Ų36.41%0.00519%0.192CC..Hα-helixtrans-59.4-49.5175.2173.162.4000110.9A73 F76 Q77 L80 V96 F99 R142 L143 E144 T149 C150A73-L146 HydrophobicContact CB-CD2 4.37Å; F76-L146 HydrophobicContact CB-CD1 3.82Å; F76-L146 HydrophobicContact CB-CD2 4.25Å; F76-L146 HydrophobicContact CD2-CD2 4.24Å; Q77-L146 HydrophobicContact CB-CD1 4.25Å; L80-L146 HydrophobicContact CD1-CD1 3.95Å; V96-L146 HydrophobicContact CG1-CD2 4.44Å; V96-L146 HydrophobicContact CG1-CG 4.46Å; F99-L146 HydrophobicContact CD1-CD2 4.04Å; F99-L146 HydrophobicContact CE1-CD2 4.21Å; R142-L146 PolarHBondContact O-N 3.37Å; L143-L146 WeakPolarHBondContact O-CB 3.4Å; L143-L146 PolarHBondContact O-N 3.45Å; E144-L146 PolarHBondContact O-N 2.92Å; L146-T149 WeakPolarHBondContact O-CB 3.35Å; L146-T149 PolarHBondContact O-N 2.84Å; L146-C150 PolarHBondContact O-N 2.99Å; L146-C150 PolarHBondContact O-SG 3.29Å
147V95.2Very high93.9Very high0 Ų038 Ų380%020%0.203CC..Hα-helixtrans-63.3-44.3-179.3174.10000111.4V96 L100 L143 E144 T149 C150 A151 L156 L158 V166 C187V96-V147 HydrophobicContact CG1-CG2 4.13Å; L100-V147 HydrophobicContact CD1-CG2 3.8Å; L100-V147 HydrophobicContact CD2-CG2 4.17Å; L100-V147 HydrophobicContact CG-CG2 4.44Å; L143-V147 WeakPolarHBondContact O-CG2 3.4Å; L143-V147 PolarHBondContact O-N 3.44Å; E144-V147 PolarHBondContact O-N 2.92Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.91Å; V147-C150 PolarHBondContact O-N 3.49Å; V147-A151 WeakPolarHBondContact O-CB 3.48Å; V147-A151 PolarHBondContact O-N 3.22Å; V147-L156 HydrophobicContact CG1-CD1 4.42Å; V147-L158 HydrophobicContact CG1-CD2 3.48Å; V147-L158 VanDerWaalsContact CG1-CD2 3.48Å; V147-V166 HydrophobicContact CG1-CB 4.38Å; V147-V166 HydrophobicContact CG1-CG1 4.13Å; V147-V166 HydrophobicContact CG2-CG1 4.37Å; V147-C187 HydrophobicContact CG1-CB 3.97Å
148L94.4Very high93.7Very high61 Ų6136.5 Ų36.532%0.31920%0.197SC..Hα-helixtrans-61.3-39.6175.4-75173.4000112.1E144 A151 S152 L158 C187E144-L148 HydrophobicContact CG-CD1 4.12Å; E144-L148 WeakPolarHBondContact O-CB 3.42Å; E144-L148 WeakPolarHBondContact O-CG 3.47Å; E144-L148 PolarHBondContact O-N 3.2Å; L148-A151 PolarHBondContact O-N 2.91Å; L148-S152 PolarHBondContact O-N 2.92Å; L148-L158 HydrophobicContact CD2-CD1 3.94Å; L148-C187 WeakPolarHBondContact CD2-O 3.5Å
149T92.6Very high93.3Very high21 Ų2136.6 Ų36.613%0.12920%0.199CC..Hα-helixtrans-62.8-50175.5-55.80000110.1Q77 Q145 L146 V147 A151 S152 F153Q77-T149 HydrophobicContact CG-CG2 4.07Å; Q77-T149 PolarHBondContact NE2-OG1 2.94Å; Q145-T149 WeakPolarHBondContact O-CB 3.39Å; Q145-T149 PolarHBondContact O-N 2.75Å; Q145-T149 PolarHBondContact O-OG1 3.22Å; L146-T149 WeakPolarHBondContact O-CB 3.35Å; L146-T149 PolarHBondContact O-N 2.84Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.91Å; T149-A151 VanDerWaalsContact C-N 3.31Å; T149-A151 PolarHBondContact O-N 3.24Å; T149-S152 WeakPolarHBondContact O-CB 3.48Å; T149-S152 PolarHBondContact O-N 2.91Å; T149-S152 VanDerWaalsContact O-N 3.08Å; T149-S152 PolarHBondContact O-OG 3.47Å; T149-F153 HydrophobicContact CG2-CD2 4.19Å; T149-F153 HydrophobicContact CG2-CE2 3.77Å; T149-F153 WeakPolarHBondContact O-CD2 3.46Å; T149-F153 PolarHBondContact O-N 3.44Å
150C91.1Very high92.7Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-57.5-42.3176.6-66.10000113.1L80 L146 V147 S152 F153 D154 F155 L156L80-C150 WeakPolarHBondContact CD1-SG 3.41Å; L146-C150 PolarHBondContact O-N 2.99Å; L146-C150 PolarHBondContact O-SG 3.29Å; V147-C150 PolarHBondContact O-N 3.49Å; C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 2.94Å; C150-F153 PolarHBondContact O-N 2.71Å; C150-D154 PolarHBondContact O-N 3.45Å; C150-F155 HydrophobicContact CB-CB 4.46Å; C150-F155 WeakPolarHBondContact O-CB 3.37Å; C150-F155 PolarHBondContact O-N 2.99Å; C150-L156 HydrophobicContact CB-CB 4.47Å; C150-L156 HydrophobicContact CB-CD1 3.53Å; C150-L156 HydrophobicContact CB-CG 3.94Å
151A92.3Very high92Very high9 Ų943.4 Ų43.47%0.07424%0.244CC..Hα-helixtrans-65.1-33.3177.600000112.2V147 L148 T149 F153 D154 L156 L158V147-A151 WeakPolarHBondContact O-CB 3.48Å; V147-A151 PolarHBondContact O-N 3.22Å; L148-A151 PolarHBondContact O-N 2.91Å; T149-A151 VanDerWaalsContact C-N 3.31Å; T149-A151 PolarHBondContact O-N 3.24Å; A151-F153 PolarHBondContact O-N 3.16Å; A151-D154 PolarHBondContact O-N 3.31Å; A151-L156 WeakPolarHBondContact CA-O 3.35Å; A151-L158 HydrophobicContact CB-CD1 3.58Å; A151-L158 HydrophobicContact CB-CD2 4.12Å; A151-L158 HydrophobicContact CB-CG 3.68Å
152S91.1Very high91.5Very high85 Ų8545.8 Ų45.859%0.59425%0.247SC*.Hα-helixtrans-67.9-20.7176.974.90000114.1L148 T149 C150L148-S152 PolarHBondContact O-N 2.92Å; T149-S152 WeakPolarHBondContact O-CB 3.48Å; T149-S152 PolarHBondContact O-N 2.91Å; T149-S152 VanDerWaalsContact O-N 3.08Å; T149-S152 PolarHBondContact O-OG 3.47Å; C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 2.94Å
153F87.9Confident90.8Very high74 Ų7450.4 Ų50.433%0.32528%0.283SS..THydrogen-bonded Turntrans-9712.8172.2-67-74.9000112.8L81 T149 C150 A151 F155L81-F153 HydrophobicContact CD2-CE2 4.29Å; L81-F153 HydrophobicContact CD2-CZ 4.03Å; T149-F153 HydrophobicContact CG2-CD2 4.19Å; T149-F153 HydrophobicContact CG2-CE2 3.77Å; T149-F153 WeakPolarHBondContact O-CD2 3.46Å; T149-F153 PolarHBondContact O-N 3.44Å; C150-F153 PolarHBondContact O-N 2.71Å; A151-F153 PolarHBondContact O-N 3.16Å; F153-F155 HydrophobicContact CB-CD1 4.37Å; F153-F155 HydrophobicContact CB-CD2 3.55Å; F153-F155 HydrophobicContact CB-CE1 4.25Å; F153-F155 HydrophobicContact CB-CE2 3.36Å; F153-F155 HydrophobicContact CB-CG 4.08Å; F153-F155 HydrophobicContact CB-CZ 3.77Å; F153-F155 HydrophobicContact CD2-CE2 4.32Å; F153-F155 HydrophobicContact CG-CD2 4.42Å; F153-F155 AromaticContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CZ 4.45Å; F153-F155 WeakPolarHBondContact O-CD1 3.42Å; F153-F155 PolarHBondContact O-N 3.07Å; F153-F155 VanDerWaalsContact O-N 3.16Å
154D88.1Confident90.2Very high119 Ų11954.9 Ų54.964%0.63632%0.32SS*.THydrogen-bonded Turntrans55.428.4-176.2-60.6-40.5000114.1K89 C150 A151K89-D154 WeakPolarHBondContact CE-O 3.49Å; K89-D154 PolarHBondContact NZ-O 3.21Å; C150-D154 PolarHBondContact O-N 3.45Å; A151-D154 PolarHBondContact O-N 3.31Å
155F88.1Confident89.9Confident22 Ų2255.2 Ų55.210%0.09632%0.324CS..SBendtrans-83.7-24175-59.4-34.7000112.7L80 K89 F92 A93 C150 F153L80-F155 HydrophobicContact CD2-CD2 3.39Å; L80-F155 HydrophobicContact CD2-CE2 3.3Å; K89-F155 HydrophobicContact CB-CD1 3.51Å; K89-F155 HydrophobicContact CB-CE1 3.69Å; K89-F155 HydrophobicContact CD-CD1 3.99Å; K89-F155 HydrophobicContact CD-CE1 4.47Å; K89-F155 HydrophobicContact CG-CD1 3.63Å; K89-F155 HydrophobicContact CG-CE1 4.26Å; F92-F155 HydrophobicContact CB-CB 4.31Å; F92-F155 HydrophobicContact CB-CD2 4.42Å; F92-F155 HydrophobicContact CB-CG 4.47Å; A93-F155 WeakPolarHBondContact CB-O 3.4Å; C150-F155 HydrophobicContact CB-CB 4.46Å; C150-F155 WeakPolarHBondContact O-CB 3.37Å; C150-F155 PolarHBondContact O-N 2.99Å; F153-F155 HydrophobicContact CB-CD1 4.37Å; F153-F155 HydrophobicContact CB-CD2 3.55Å; F153-F155 HydrophobicContact CB-CE1 4.25Å; F153-F155 HydrophobicContact CB-CE2 3.36Å; F153-F155 HydrophobicContact CB-CG 4.08Å; F153-F155 HydrophobicContact CB-CZ 3.77Å; F153-F155 HydrophobicContact CD2-CE2 4.32Å; F153-F155 HydrophobicContact CG-CD2 4.42Å; F153-F155 AromaticContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CZ 4.45Å; F153-F155 WeakPolarHBondContact O-CD1 3.42Å; F153-F155 PolarHBondContact O-N 3.07Å; F153-F155 VanDerWaalsContact O-N 3.16Å
156L90.5Very high89.8Confident16 Ų1651.4 Ų51.48%0.08431%0.307CS..SBendtrans-135.5140.5179.3-63.9174.4000109.8V96 P97 V147 C150 A151 V166V96-L156 HydrophobicContact CB-CD1 4.04Å; V96-L156 HydrophobicContact CG1-CD1 3.77Å; P97-L156 HydrophobicContact CG-CD2 4.12Å; V147-L156 HydrophobicContact CG1-CD1 4.42Å; C150-L156 HydrophobicContact CB-CB 4.47Å; C150-L156 HydrophobicContact CB-CD1 3.53Å; C150-L156 HydrophobicContact CB-CG 3.94Å; A151-L156 WeakPolarHBondContact CA-O 3.35Å; L156-V166 HydrophobicContact CD1-CG2 4.26Å; L156-V166 HydrophobicContact CD2-CG2 3.99Å
157S91.7Very high89.7Confident36 Ų3651.7 Ų51.725%0.25231%0.309SS..  trans-86143.7164.11800000110.4E159 E162 S165 V166S157-E159 PolarHBondContact OG-N 3.5Å; S157-E162 WeakPolarHBondContact CB-OE2 3.45Å; S157-E162 VanDerWaalsContact OG-CD 3.24Å; S157-E162 PolarHBondContact OG-OE2 2.94Å; S157-S165 CarbonylContact O-C 3.59Å; S157-S165 WeakPolarHBondContact O-CA 3.4Å; S157-S165 WeakPolarHBondContact O-CB 3.16Å; S157-V166 PolarHBondContact O-N 3.05Å
158L92.9Very high89.7Confident15 Ų1554.2 Ų54.28%0.07932%0.321CS..  trans-111.89173.3-53.6-176.9000112V147 L148 A151 V166 S167 C187 R188V147-L158 HydrophobicContact CG1-CD2 3.48Å; V147-L158 VanDerWaalsContact CG1-CD2 3.48Å; L148-L158 HydrophobicContact CD2-CD1 3.94Å; A151-L158 HydrophobicContact CB-CD1 3.58Å; A151-L158 HydrophobicContact CB-CD2 4.12Å; A151-L158 HydrophobicContact CB-CG 3.68Å; L158-V166 HydrophobicContact CD2-CB 4.38Å; L158-V166 WeakPolarHBondContact CD2-O 3.5Å; L158-S167 VanDerWaalsContact O-CB 3.27Å; L158-S167 WeakPolarHBondContact O-CB 3.33Å; L158-C187 HydrophobicContact CD1-CB 4.35Å; L158-C187 HydrophobicContact CD2-CB 4.23Å; L158-R188 HydrophobicContact CD1-CB 4.15Å
159E89.3Confident89.8Confident102 Ų10252 Ų5248%0.47731%0.309SS..  trans-77.5122.9-177.7-174.650.9-113.400111S157 A161 E162 S165S157-E159 PolarHBondContact OG-N 3.5Å; E159-A161 HydrophobicContact CG-CB 4.27Å; E159-A161 PolarHBondContact O-N 3.38Å; E159-E162 HydrophobicContact CB-CB 4.4Å; E159-E162 HydrophobicContact CB-CG 4.08Å; E159-E162 HydrophobicContact CG-CG 4.27Å; E159-E162 PolarHBondContact O-N 2.65Å; E159-E162 VanDerWaalsContact O-N 3.09Å; E159-S165 WeakPolarHBondContact O-CB 3.44Å; E159-S165 PolarHBondContact O-OG 2.98Å
160E85.9Confident90Very high65 Ų6552.1 Ų52.130%0.30431%0.307SS..THydrogen-bonded Turntrans-65.6-27.7-174-169.5171.9-156.700112E162 Y186 K202E160-E162 VanDerWaalsContact C-N 3.28Å; E160-E162 PolarHBondContact O-N 2.96Å; E160-Y186 PolarHBondContact OE1-OH 3.29Å; E160-K202 IonicContact OE1-NZ 3.75Å; E160-K202 PolarHBondContact OE1-NZ 3.15Å; E160-K202 IonicContact OE2-NZ 2.69Å; E160-K202 PolarHBondContact OE2-NZ 2.89Å
161A82.8Confident90.3Very high79 Ų7952.2 Ų52.265%0.65331%0.307SS*.THydrogen-bonded Turntrans-72.6-16.2176.800000114.1E159E159-A161 HydrophobicContact CG-CB 4.27Å; E159-A161 PolarHBondContact O-N 3.38Å
162E86.9Confident90.6Very high99 Ų9951.8 Ų51.846%0.46330%0.304SS..SBendtrans-89.1125-178.8-73.3-176.7-167.500111.8S157 E159 E160 A164 S165S157-E162 WeakPolarHBondContact CB-OE2 3.45Å; S157-E162 VanDerWaalsContact OG-CD 3.24Å; S157-E162 PolarHBondContact OG-OE2 2.94Å; E159-E162 HydrophobicContact CB-CB 4.4Å; E159-E162 HydrophobicContact CB-CG 4.08Å; E159-E162 HydrophobicContact CG-CG 4.27Å; E159-E162 PolarHBondContact O-N 2.65Å; E159-E162 VanDerWaalsContact O-N 3.09Å; E160-E162 VanDerWaalsContact C-N 3.28Å; E160-E162 PolarHBondContact O-N 2.96Å; E162-A164 PolarHBondContact O-N 3.49Å; E162-A164 VanDerWaalsContact O-N 3.12Å; E162-S165 VanDerWaalsContact O-CB 3.32Å; E162-S165 WeakPolarHBondContact O-CB 3.24Å; E162-S165 PolarHBondContact O-N 3.13Å; E162-S165 PolarHBondContact O-OG 2.81Å; E162-S165 VanDerWaalsContact O-OG 3.11Å
163P82.1Confident90.8Very high143 Ų14352.8 Ų52.893%0.92930%0.298SS*.THydrogen-bonded Turntrans-61-27-174.5-26.734.4000115.7
164A84Confident91.2Very high93 Ų9349.5 Ų49.577%0.76928%0.284SS*.THydrogen-bonded Turntrans-98.69.4-178.600000113E162E162-A164 PolarHBondContact O-N 3.49Å; E162-A164 VanDerWaalsContact O-N 3.12Å
165S90.3Very high91.4Very high28 Ų2848.4 Ų48.420%0.19628%0.275CS..  trans-75159.9-176.379.60000113.1S157 E159 E162S157-S165 CarbonylContact O-C 3.59Å; S157-S165 WeakPolarHBondContact O-CA 3.4Å; S157-S165 WeakPolarHBondContact O-CB 3.16Å; E159-S165 WeakPolarHBondContact O-CB 3.44Å; E159-S165 PolarHBondContact O-OG 2.98Å; E162-S165 VanDerWaalsContact O-CB 3.32Å; E162-S165 WeakPolarHBondContact O-CB 3.24Å; E162-S165 PolarHBondContact O-N 3.13Å; E162-S165 PolarHBondContact O-OG 2.81Å; E162-S165 VanDerWaalsContact O-OG 3.11Å
166V93.6Very high91.5Very high11 Ų1148.1 Ų48.17%0.06727%0.274CS..  trans-114.450.9172-166.20000108.7P97 L100 V147 L156 S157 L158 H168 C187P97-V166 HydrophobicContact CB-CG2 4.44Å; P97-V166 HydrophobicContact CG-CG2 3.77Å; L100-V166 HydrophobicContact CD1-CG1 3.44Å; L100-V166 VanDerWaalsContact CD1-CG1 3.44Å; V147-V166 HydrophobicContact CG1-CB 4.38Å; V147-V166 HydrophobicContact CG1-CG1 4.13Å; V147-V166 HydrophobicContact CG2-CG1 4.37Å; L156-V166 HydrophobicContact CD1-CG2 4.26Å; L156-V166 HydrophobicContact CD2-CG2 3.99Å; S157-V166 PolarHBondContact O-N 3.05Å; L158-V166 HydrophobicContact CD2-CB 4.38Å; L158-V166 WeakPolarHBondContact CD2-O 3.5Å; V166-H168 PolarHBondContact O-N 3.15Å; V166-C187 PolarHBondContact O-SG 3.3Å
167S93.1Very high91.4Very high7 Ų751.7 Ų51.75%0.04929%0.293CS..SBendtrans-60.6-34-179.558.40000112.7L158 Y186 C187L158-S167 VanDerWaalsContact O-CB 3.27Å; L158-S167 WeakPolarHBondContact O-CB 3.33Å; S167-Y186 WeakPolarHBondContact O-CA 3.42Å; S167-C187 PolarHBondContact O-N 2.75Å
168H94.9Very high91.2Very high54 Ų5458.7 Ų58.725%0.2531%0.314CS..EExtended strand (participates in β ladder)trans-147.4161.6178.960.8-75.2000111.6V166 Y184 R185 Y186V166-H168 PolarHBondContact O-N 3.15Å; H168-Y184 AromaticContact CD2-CD1 3.92Å; H168-R185 CarbonylContact C-O 3.55Å; H168-R185 WeakPolarHBondContact CA-O 3.45Å; H168-R185 VanDerWaalsContact CB-O 3.24Å; H168-R185 WeakPolarHBondContact CB-O 3.25Å; H168-Y186 HydrophobicContact CB-CD1 3.89Å; H168-Y186 HydrophobicContact CB-CD2 4.32Å; H168-Y186 HydrophobicContact CB-CE1 4.1Å; H168-Y186 HydrophobicContact CB-CG 4Å
169F96.6Very high91.1Very high13 Ų1358.7 Ų58.76%0.05732%0.315CS..EExtended strand (participates in β ladder)trans-138.3155.3172.963.5-83000111.8L100 L143 E144 I171 Y184 R185 C187L100-F169 HydrophobicContact CD1-CB 4.2Å; L100-F169 HydrophobicContact CD2-CD2 4.46Å; L100-F169 HydrophobicContact CD2-CG 4.37Å; L143-F169 HydrophobicContact CB-CE2 4.2Å; L143-F169 HydrophobicContact CB-CZ 4.12Å; L143-F169 HydrophobicContact CD1-CE2 4.31Å; E144-F169 HydrophobicContact CB-CE1 4.39Å; E144-F169 HydrophobicContact CB-CZ 4.43Å; F169-I171 HydrophobicContact CD2-CG2 3.63Å; F169-I171 HydrophobicContact CE2-CG2 3.34Å; F169-I171 HydrophobicContact CZ-CG2 4.17Å; F169-Y184 CarbonylContact O-C 3.44Å; F169-Y184 WeakPolarHBondContact O-CA 3.29Å; F169-R185 HydrophobicContact CE1-CB 4.23Å; F169-R185 HydrophobicContact CE1-CG 4.28Å; F169-R185 HydrophobicContact CZ-CB 4.18Å; F169-R185 HydrophobicContact CZ-CG 4.28Å; F169-R185 PolarHBondContact N-O 3.42Å; F169-R185 PolarHBondContact O-N 3.27Å; F169-C187 VanDerWaalsContact CD1-SG 3.59Å
170Y97.7Very high91.4Very high24 Ų2454.6 Ų54.69%0.09430%0.3CS..EExtended strand (participates in β ladder)trans-76.1129.2179.2171.7-90.6000110.7Q104 T108 G172 K173 Y184Q104-Y170 HydrophobicContact CB-CD1 3.7Å; Q104-Y170 HydrophobicContact CB-CE1 4Å; Q104-Y170 HydrophobicContact CG-CD1 3.71Å; Q104-Y170 HydrophobicContact CG-CE1 4.48Å; Q104-Y170 HydrophobicContact CG-CG 4.42Å; T108-Y170 VanDerWaalsContact OG1-CE1 3.26Å; T108-Y170 WeakPolarHBondContact OG1-CE1 3.5Å; T108-Y170 PolarHBondContact OG1-OH 3.28Å; Y170-G172 WeakPolarHBondContact CE2-O 3.41Å; Y170-K173 HydrophobicContact CE2-CB 4.28Å; Y170-K173 VanDerWaalsContact OH-CB 3.26Å; Y170-K173 WeakPolarHBondContact OH-CB 3.02Å; Y170-K173 WeakPolarHBondContact OH-CD 3.06Å; Y170-K173 WeakPolarHBondContact OH-CG 3.39Å; Y170-K173 PolarHBondContact OH-N 2.63Å; Y170-Y184 HydrophobicContact CD2-CD1 4.41Å; Y170-Y184 AromaticContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE2 4.49Å; Y170-Y184 AromaticContact CD2-CZ 3.9Å; Y170-Y184 HydrophobicContact CG-CE1 4.35Å
171I97.3Very high91.8Very high2 Ų251.8 Ų51.81%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-116.917.1-179.966.4165.7000113.1F107 E111 C140 F169 I183 R185 M204 A321F107-I171 WeakPolarHBondContact CB-O 3.5Å; F107-I171 HydrophobicContact CD1-CB 4.18Å; F107-I171 WeakPolarHBondContact CD1-O 3.37Å; F107-I171 HydrophobicContact CE1-CB 4.25Å; F107-I171 HydrophobicContact CE1-CG2 4.45Å; F107-I171 HydrophobicContact CZ-CG2 4.41Å; E111-I171 VanDerWaalsContact CG-O 3.27Å; E111-I171 WeakPolarHBondContact CG-O 3.38Å; C140-I171 HydrophobicContact CB-CG2 4.46Å; F169-I171 HydrophobicContact CD2-CG2 3.63Å; F169-I171 HydrophobicContact CE2-CG2 3.34Å; F169-I171 HydrophobicContact CZ-CG2 4.17Å; I171-I183 HydrophobicContact CD1-CB 4.48Å; I171-I183 HydrophobicContact CD1-CG2 3.6Å; I171-I183 HydrophobicContact CG1-CB 3.8Å; I171-I183 HydrophobicContact CG1-CG2 3.42Å; I171-I183 VanDerWaalsContact CG1-CG2 3.42Å; I171-I183 PolarHBondContact N-O 3.13Å; I171-R185 HydrophobicContact CD1-CB 4.34Å; I171-R185 HydrophobicContact CG2-CB 3.86Å; I171-M204 HydrophobicContact CD1-CE 3.77Å; I171-A321 HydrophobicContact CD1-CB 3.88Å
172G97.1Very high92.6Very high0 Ų048.7 Ų48.70%026%0.261CS..EExtended strand (participates in β ladder)trans123.2-177167.900000113.5Y170 I183Y170-G172 WeakPolarHBondContact CE2-O 3.41Å; G172-I183 PolarHBondContact O-N 3.2Å
173K96.6Very high93.1Very high106 Ų10644 Ų4446%0.46124%0.239SC..EExtended strand (participates in β ladder)trans-147.6152.8178.370.5-176179.9173.70110.4T108 S112 Y170 L181T108-K173 HydrophobicContact CG2-CD 4.35Å; T108-K173 HydrophobicContact CG2-CG 3.83Å; S112-K173 WeakPolarHBondContact CA-O 3.17Å; S112-K173 WeakPolarHBondContact CB-O 3.34Å; S112-K173 PolarHBondContact N-O 2.89Å; S112-K173 VanDerWaalsContact N-O 3.17Å; Y170-K173 HydrophobicContact CE2-CB 4.28Å; Y170-K173 VanDerWaalsContact OH-CB 3.26Å; Y170-K173 WeakPolarHBondContact OH-CB 3.02Å; Y170-K173 WeakPolarHBondContact OH-CD 3.06Å; Y170-K173 WeakPolarHBondContact OH-CG 3.39Å; Y170-K173 PolarHBondContact OH-N 2.63Å; K173-L181 CarbonylContact C-O 3.55Å; K173-L181 WeakPolarHBondContact CA-O 3.44Å; K173-L181 WeakPolarHBondContact CB-O 3.37Å
174C95.1Very high93.8Very high6 Ų639.4 Ų39.44%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-139165.4171.463.80000110.4R115 L181R115-C174 HydrophobicContact CB-CB 3.72Å; C174-L181 PolarHBondContact N-O 3.4Å; C174-L181 PolarHBondContact O-N 2.89Å
175Q93.4Very high94.4Very high95 Ų9535.5 Ų35.544%0.44417%0.169SC..EExtended strand (participates in β ladder)trans-124.6116.8177.2179.6174.4-1.900108.6S116 T117 D177 V179S116-Q175 CarbonylContact C-O 3.54Å; S116-Q175 WeakPolarHBondContact CA-O 3.45Å; S116-Q175 WeakPolarHBondContact CB-O 3.47Å; S116-Q175 PolarHBondContact OG-N 3.5Å; S116-Q175 PolarHBondContact OG-O 3.25Å; T117-Q175 PolarHBondContact N-O 3.45Å; Q175-D177 PolarHBondContact NE2-O 3.45Å; Q175-V179 WeakPolarHBondContact CA-O 3.18Å
176I90.5Very high94.7Very high17 Ų1734.2 Ų34.29%0.08716%0.16CC..EExtended strand (participates in β ladder)trans-112.5109.5178.6-58.4166.8000106.4T117 R178 V179 V329 F333T117-I176 WeakPolarHBondContact OG1-CA 3.28Å; I176-R178 PolarHBondContact O-N 2.91Å; I176-R178 VanDerWaalsContact O-N 3.07Å; I176-V179 PolarHBondContact N-O 3.23Å; I176-V179 PolarHBondContact O-N 2.82Å; I176-V329 HydrophobicContact CD1-CB 4.17Å; I176-V329 HydrophobicContact CD1-CG1 3.51Å; I176-V329 HydrophobicContact CD1-CG2 3.5Å; I176-F333 HydrophobicContact CB-CE1 4.3Å; I176-F333 HydrophobicContact CB-CE2 3.73Å; I176-F333 HydrophobicContact CB-CZ 3.51Å; I176-F333 HydrophobicContact CD1-CE2 3.93Å; I176-F333 HydrophobicContact CG1-CE2 4.46Å; I176-F333 HydrophobicContact CG2-CD1 4.25Å; I176-F333 HydrophobicContact CG2-CD2 4.01Å; I176-F333 HydrophobicContact CG2-CE1 3.74Å; I176-F333 HydrophobicContact CG2-CE2 3.5Å; I176-F333 HydrophobicContact CG2-CG 4.37Å; I176-F333 HydrophobicContact CG2-CZ 3.35Å
177D87.1Confident94.6Very high90 Ų9033.7 Ų33.748%0.48116%0.157SC..THydrogen-bonded Turntrans55.5-106-171.3-56-22.9000112T117 Q175T117-D177 PolarHBondContact OG1-N 2.89Å; T117-D177 PolarHBondContact OG1-OD1 2.86Å; Q175-D177 PolarHBondContact NE2-O 3.45Å
178R87.6Confident94.4Very high183 Ų18340 Ų4069%0.69118%0.179SC*.THydrogen-bonded Turntrans-103.8-1.6177.4-62.9-172.4179.5-171.82.2113.5I176 P211I176-R178 PolarHBondContact O-N 2.91Å; I176-R178 VanDerWaalsContact O-N 3.07Å; R178-P211 HydrophobicContact CB-CG 3.87Å; R178-P211 WeakPolarHBondContact O-CD 3.28Å; R178-P211 WeakPolarHBondContact O-CG 3.22Å
179V91.4Very high93.8Very high15 Ų1540.1 Ų40.19%0.09118%0.181CC..EExtended strand (participates in β ladder)trans-98.2123.9-175.1-175.10000109.5Q175 I176 V208 E209 R210 F333Q175-V179 WeakPolarHBondContact CA-O 3.18Å; I176-V179 PolarHBondContact N-O 3.23Å; I176-V179 PolarHBondContact O-N 2.82Å; V179-V208 HydrophobicContact CG1-CG1 3.46Å; V179-V208 VanDerWaalsContact CG1-CG1 3.46Å; V179-E209 WeakPolarHBondContact CA-O 3.35Å; V179-R210 HydrophobicContact CG1-CG 4.29Å; V179-R210 HydrophobicContact CG2-CG 4.27Å; V179-F333 HydrophobicContact CB-CE1 4.4Å; V179-F333 HydrophobicContact CB-CZ 3.87Å; V179-F333 HydrophobicContact CG1-CZ 4.39Å; V179-F333 HydrophobicContact CG2-CE1 3.97Å; V179-F333 HydrophobicContact CG2-CZ 3.91Å
180G94.4Very high93.3Very high17 Ų1740.1 Ų40.118%0.17518%0.184CC..EExtended strand (participates in β ladder)trans-85.7137.3170.800000110.6V208 E209G180-V208 CarbonylContact O-C 3.5Å; G180-V208 WeakPolarHBondContact O-CA 3.27Å; G180-E209 PolarHBondContact N-O 3.43Å; G180-E209 PolarHBondContact O-N 3.37Å
181L96.1Very high92.8Very high6 Ų641.9 Ų41.93%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-126.3118.8175.7-173.373.8000109.6K173 C174 I183 W206 N207 V208 T325 L328 V329K173-L181 CarbonylContact C-O 3.55Å; K173-L181 WeakPolarHBondContact CA-O 3.44Å; K173-L181 WeakPolarHBondContact CB-O 3.37Å; C174-L181 PolarHBondContact N-O 3.4Å; C174-L181 PolarHBondContact O-N 2.89Å; L181-I183 HydrophobicContact CD2-CG1 4.35Å; L181-I183 HydrophobicContact CG-CG1 4.34Å; L181-W206 HydrophobicContact CD1-CB 3.8Å; L181-W206 HydrophobicContact CD1-CG 4.17Å; L181-N207 WeakPolarHBondContact CA-O 3.49Å; L181-V208 HydrophobicContact CD1-CG2 3.63Å; L181-T325 HydrophobicContact CD2-CG2 3.89Å; L181-L328 HydrophobicContact CD1-CD2 4.19Å; L181-V329 HydrophobicContact CD2-CG2 4.02Å
182S97.9Very high92.4Very high13 Ų1342 Ų429%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-108136170.4-64.80000110.6W206 N207S182-W206 CarbonylContact O-C 3.47Å; S182-W206 VanDerWaalsContact O-CA 3.29Å; S182-W206 WeakPolarHBondContact O-CA 3.13Å; S182-N207 PolarHBondContact N-O 3.44Å; S182-N207 PolarHBondContact O-N 3.45Å
183I98.2Very high91.8Very high0 Ų042.7 Ų42.70%020%0.202CC..EExtended strand (participates in β ladder)trans-118.6131.2-166.8-45.5166000110.2E111 I171 G172 L181 M204 T325E111-I183 HydrophobicContact CG-CD1 4.28Å; E111-I183 VanDerWaalsContact OE2-CD1 3.22Å; E111-I183 WeakPolarHBondContact OE2-CD1 3.27Å; I171-I183 HydrophobicContact CD1-CB 4.48Å; I171-I183 HydrophobicContact CD1-CG2 3.6Å; I171-I183 HydrophobicContact CG1-CB 3.8Å; I171-I183 HydrophobicContact CG1-CG2 3.42Å; I171-I183 VanDerWaalsContact CG1-CG2 3.42Å; I171-I183 PolarHBondContact N-O 3.13Å; G172-I183 PolarHBondContact O-N 3.2Å; L181-I183 HydrophobicContact CD2-CG1 4.35Å; L181-I183 HydrophobicContact CG-CG1 4.34Å; I183-M204 HydrophobicContact CG2-CE 3.72Å; I183-T325 HydrophobicContact CD1-CG2 3.88Å
184Y97.7Very high90.8Very high47 Ų4739.9 Ų39.918%0.18420%0.199CC..EExtended strand (participates in β ladder)trans-131.1140.3179.8-58.2-96.4000111.3H168 F169 Y170 M204 R205H168-Y184 AromaticContact CD2-CD1 3.92Å; F169-Y184 CarbonylContact O-C 3.44Å; F169-Y184 WeakPolarHBondContact O-CA 3.29Å; Y170-Y184 HydrophobicContact CD2-CD1 4.41Å; Y170-Y184 AromaticContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE2 4.49Å; Y170-Y184 AromaticContact CD2-CZ 3.9Å; Y170-Y184 HydrophobicContact CG-CE1 4.35Å; Y184-M204 VanDerWaalsContact O-CA 3.31Å; Y184-M204 WeakPolarHBondContact O-CA 3.42Å; Y184-R205 VanDerWaalsContact CD1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CD2-NH2 3.29Å; Y184-R205 VanDerWaalsContact CE1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CE2-NH2 3.3Å; Y184-R205 VanDerWaalsContact CG-NH2 3.32Å; Y184-R205 VanDerWaalsContact CZ-NH2 3.33Å; Y184-R205 PolarHBondContact N-O 2.99Å; Y184-R205 PolarHBondContact O-N 2.89Å
185R96.5Very high89.5Confident11 Ų1144 Ų444%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-110.6129176.8-176.965.8168.7-173.4-2.7110E144 H168 F169 I171 R203 E318E144-R185 IonicContact OE2-CZ 2.68Å; E144-R185 IonicContact OE2-NE 3.51Å; E144-R185 PolarHBondContact OE2-NE 2.88Å; E144-R185 IonicContact OE2-NH2 3.53Å; H168-R185 CarbonylContact C-O 3.55Å; H168-R185 WeakPolarHBondContact CA-O 3.45Å; H168-R185 VanDerWaalsContact CB-O 3.24Å; H168-R185 WeakPolarHBondContact CB-O 3.25Å; F169-R185 HydrophobicContact CE1-CB 4.23Å; F169-R185 HydrophobicContact CE1-CG 4.28Å; F169-R185 HydrophobicContact CZ-CB 4.18Å; F169-R185 HydrophobicContact CZ-CG 4.28Å; F169-R185 PolarHBondContact N-O 3.42Å; F169-R185 PolarHBondContact O-N 3.27Å; I171-R185 HydrophobicContact CD1-CB 4.34Å; I171-R185 HydrophobicContact CG2-CB 3.86Å; R185-R203 VanDerWaalsContact CZ-CZ 3.46Å; R185-R203 VanDerWaalsContact CZ-NE 3.29Å; R185-E318 IonicContact CZ-OE1 2.73Å; R185-E318 IonicContact NH1-OE1 3.29Å; R185-E318 IonicContact NH2-OE1 2.72Å; R185-E318 PolarHBondContact NH2-OE1 3.04Å
186Y95.4Very high88.6Confident1 Ų142.7 Ų42.70%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-82.3129.3171.2-77.2-95.7000110.3E160 S167 H168 R188 A190 K202 R203 R205 F246E160-Y186 PolarHBondContact OE1-OH 3.29Å; S167-Y186 WeakPolarHBondContact O-CA 3.42Å; H168-Y186 HydrophobicContact CB-CD1 3.89Å; H168-Y186 HydrophobicContact CB-CD2 4.32Å; H168-Y186 HydrophobicContact CB-CE1 4.1Å; H168-Y186 HydrophobicContact CB-CG 4Å; Y186-R188 VanDerWaalsContact C-N 3.3Å; Y186-R188 PolarHBondContact O-N 3.23Å; Y186-A190 HydrophobicContact CD1-CB 3.86Å; Y186-A190 HydrophobicContact CE1-CB 4.15Å; Y186-K202 HydrophobicContact CD2-CB 4Å; Y186-K202 HydrophobicContact CE1-CD 4.03Å; Y186-K202 HydrophobicContact CE2-CB 3.98Å; Y186-K202 HydrophobicContact CE2-CD 4Å; Y186-K202 HydrophobicContact CG-CB 4.31Å; Y186-R203 PolarHBondContact N-O 2.82Å; Y186-R203 PolarHBondContact O-NH1 3Å; Y186-R205 HydrophobicContact CE2-CB 4Å; Y186-F246 HydrophobicContact CE2-CD1 4.45Å; Y186-F246 HydrophobicContact CE2-CE1 4.29Å
187C91.9Very high88.1Confident1 Ų149.5 Ų49.51%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-69.2-31.9-177.6-58.40000112V147 L148 L158 V166 S167 F169V147-C187 HydrophobicContact CG1-CB 3.97Å; L148-C187 WeakPolarHBondContact CD2-O 3.5Å; L158-C187 HydrophobicContact CD1-CB 4.35Å; L158-C187 HydrophobicContact CD2-CB 4.23Å; V166-C187 PolarHBondContact O-SG 3.3Å; S167-C187 PolarHBondContact O-N 2.75Å; F169-C187 VanDerWaalsContact CD1-SG 3.59Å
188R88.1Confident87.9Confident138 Ų13848 Ų4852%0.52127%0.265SS..EExtended strand (participates in β ladder)trans-133.2152.9175.6-176.2-179.5-69.2164.5-2108.3L158 Y186 A190L158-R188 HydrophobicContact CD1-CB 4.15Å; Y186-R188 VanDerWaalsContact C-N 3.3Å; Y186-R188 PolarHBondContact O-N 3.23Å; R188-A190 PolarHBondContact O-N 2.91Å
189L84.3Confident87.9Confident57 Ų5740.4 Ų40.430%0.29825%0.245SC..EExtended strand (participates in β ladder)trans-58.4110.8170.5-67.7168.4000109.4R203 Y249 W278L189-R203 HydrophobicContact CD2-CB 4.32Å; L189-Y249 HydrophobicContact CB-CE1 4.06Å; L189-Y249 HydrophobicContact CD1-CD1 4.03Å; L189-Y249 HydrophobicContact CD1-CE1 3.22Å; L189-Y249 HydrophobicContact CD2-CD1 3.56Å; L189-Y249 HydrophobicContact CD2-CE1 3.49Å; L189-Y249 VanDerWaalsContact CD2-CE1 3.49Å; L189-Y249 HydrophobicContact CG-CD1 4.3Å; L189-Y249 HydrophobicContact CG-CE1 3.72Å; L189-W278 HydrophobicContact CD2-CH2 4.23Å
190A84.3Confident88Confident13 Ų1340.7 Ų40.711%0.10725%0.245CC..EExtended strand (participates in β ladder)trans-105.8139.6-177.400000109.6Y186 R188 Y201 K202Y186-A190 HydrophobicContact CD1-CB 3.86Å; Y186-A190 HydrophobicContact CE1-CB 4.15Å; R188-A190 PolarHBondContact O-N 2.91Å; A190-Y201 CarbonylContact O-C 3.58Å; A190-Y201 VanDerWaalsContact O-CA 3.23Å; A190-Y201 WeakPolarHBondContact O-CA 3.48Å; A190-K202 PolarHBondContact N-O 3.5Å; A190-K202 PolarHBondContact O-N 3.42Å
191P88.8Confident87.9Confident61 Ų6142.4 Ų42.440%0.39625%0.247SC..EExtended strand (participates in β ladder)trans-53142.3175.4-25.934.9000112.3L193 K202P191-L193 VanDerWaalsContact C-N 3.3Å; P191-L193 PolarHBondContact O-N 3.47Å; P191-K202 WeakPolarHBondContact O-CE 3.4Å; P191-K202 PolarHBondContact O-NZ 2.94Å
192Y87.4Confident87.8Confident4 Ų442.8 Ų42.82%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-59.6-39.7-179.5176.4-109.2000113L200 K202 F246 W283 G307 Y308Y192-L200 WeakPolarHBondContact CB-O 3.31Å; Y192-L200 HydrophobicContact CD1-CD1 4.47Å; Y192-L200 HydrophobicContact CG-CB 4.29Å; Y192-L200 PolarHBondContact N-O 2.91Å; Y192-K202 VanDerWaalsContact C-CE 3.45Å; Y192-K202 HydrophobicContact CD2-CG 4.41Å; Y192-K202 WeakPolarHBondContact O-CE 3.39Å; Y192-K202 PolarHBondContact O-NZ 3.49Å; Y192-F246 HydrophobicContact CE2-CD2 4.11Å; Y192-F246 HydrophobicContact CE2-CG 4.36Å; Y192-W283 AromaticContact CZ-CD1 3.71Å; Y192-W283 WeakPolarHBondContact OH-CA 3.39Å; Y192-G307 PolarHBondContact OH-O 2.99Å; Y192-Y308 HydrophobicContact CD2-CD2 4.11Å; Y192-Y308 AromaticContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CE2 4.31Å; Y192-Y308 HydrophobicContact CE2-CG 4.32Å; Y192-Y308 AromaticContact CZ-CD2 3.77Å; Y192-Y308 WeakPolarHBondContact OH-CA 3.43Å
193L84.6Confident87.7Confident16 Ų1643.4 Ų43.48%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-121.1140.5171.5-63.9176.4000109.2P191 G195 V196 T198 A306P191-L193 VanDerWaalsContact C-N 3.3Å; P191-L193 PolarHBondContact O-N 3.47Å; L193-G195 PolarHBondContact O-N 2.54Å; L193-V196 HydrophobicContact CB-CB 4.08Å; L193-V196 HydrophobicContact CD1-CB 4.47Å; L193-T198 HydrophobicContact CD1-CG2 4.06Å; L193-T198 HydrophobicContact CG-CG2 4.35Å; L193-A306 HydrophobicContact CD2-CB 4.22Å
194A75.9Confident87.6Confident47 Ų4743.4 Ų43.439%0.38825%0.249SC..THydrogen-bonded Turntrans-66.4135.1173.500000109.7V196 V303A194-V196 PolarHBondContact O-N 2.97Å; A194-V303 HydrophobicContact CB-CG1 3.86Å; A194-V303 HydrophobicContact CB-CG2 4.15Å; A194-V303 WeakPolarHBondContact O-CG1 3.39Å
195G68.1Low87.6Confident91 Ų9143 Ų4394%0.93825%0.247SC*.THydrogen-bonded Turntrans691.8175.600000116.7L193L193-G195 PolarHBondContact O-N 2.54Å
196V75.4Confident87.7Confident68 Ų6842.5 Ų42.541%0.41225%0.245SC..EExtended strand (participates in β ladder)trans-122.6124.5176.7-177.50000109.7L193 A194 T198L193-V196 HydrophobicContact CB-CB 4.08Å; L193-V196 HydrophobicContact CD1-CB 4.47Å; A194-V196 PolarHBondContact O-N 2.97Å; V196-T198 HydrophobicContact CG1-CG2 3.98Å; V196-T198 PolarHBondContact O-N 2.97Å; V196-T198 VanDerWaalsContact O-N 3.16Å
197H78.9Confident87.8Confident161 Ų16143.4 Ų43.475%0.74525%0.25SC*.EExtended strand (participates in β ladder)trans-83.293.9176.9-16469.2000110.3
198T83.6Confident88Confident57 Ų5743.3 Ų43.335%0.3525%0.249SC..EExtended strand (participates in β ladder)trans-91.1-9.2177.759.80000113.3L193 V196 L200L193-T198 HydrophobicContact CD1-CG2 4.06Å; L193-T198 HydrophobicContact CG-CG2 4.35Å; V196-T198 HydrophobicContact CG1-CG2 3.98Å; V196-T198 PolarHBondContact O-N 2.97Å; V196-T198 VanDerWaalsContact O-N 3.16Å; T198-L200 PolarHBondContact O-N 2.98Å; T198-L200 PolarHBondContact OG1-N 3.17Å
199G87.8Confident88.4Confident25 Ų2540.4 Ų40.426%0.25824%0.242SC..EExtended strand (participates in β ladder)trans72.2-1-169.200000114.4
200L91.6Very high88.7Confident20 Ų2040.5 Ų40.511%0.10524%0.238CC..EExtended strand (participates in β ladder)trans-100.2135.8177.1-70.7164000110.6Y192 T198 C248 E250 Y308Y192-L200 WeakPolarHBondContact CB-O 3.31Å; Y192-L200 HydrophobicContact CD1-CD1 4.47Å; Y192-L200 HydrophobicContact CG-CB 4.29Å; Y192-L200 PolarHBondContact N-O 2.91Å; T198-L200 PolarHBondContact O-N 2.98Å; T198-L200 PolarHBondContact OG1-N 3.17Å; L200-C248 HydrophobicContact CD2-CB 4.06Å; L200-E250 HydrophobicContact CD2-CB 3.86Å; L200-Y308 HydrophobicContact CD1-CD1 3.71Å; L200-Y308 HydrophobicContact CD1-CE1 4.47Å; L200-Y308 HydrophobicContact CD1-CG 3.83Å; L200-Y308 HydrophobicContact CD2-CD1 4.32Å; L200-Y308 HydrophobicContact CD2-CE1 4.31Å
201Y93.1Very high88.6Confident53 Ų5343 Ų4321%0.20825%0.254CS..EExtended strand (participates in β ladder)trans-126.5127.7177.7-58.6-92.5000111.3A190 C248 Y249A190-Y201 CarbonylContact O-C 3.58Å; A190-Y201 VanDerWaalsContact O-CA 3.23Å; A190-Y201 WeakPolarHBondContact O-CA 3.48Å; Y201-C248 CarbonylContact O-C 3.58Å; Y201-C248 WeakPolarHBondContact O-CA 3.4Å; Y201-Y249 HydrophobicContact CD2-CD1 4.3Å; Y201-Y249 AromaticContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE2 4.22Å; Y201-Y249 AromaticContact CD2-CZ 3.53Å; Y201-Y249 HydrophobicContact CG-CD1 4.38Å; Y201-Y249 AromaticContact CG-CE1 3.64Å; Y201-Y249 HydrophobicContact CG-CE1 3.64Å; Y201-Y249 PolarHBondContact N-O 2.88Å; Y201-Y249 PolarHBondContact O-N 3.4Å
202K94.3Very high87.7Confident15 Ų1542.3 Ų42.37%0.06525%0.25CC..EExtended strand (participates in β ladder)trans-68.8141.1178.5-51.6172.6-168.7163.40110.8E160 Y186 A190 P191 Y192 F246E160-K202 IonicContact OE1-NZ 3.75Å; E160-K202 PolarHBondContact OE1-NZ 3.15Å; E160-K202 IonicContact OE2-NZ 2.69Å; E160-K202 PolarHBondContact OE2-NZ 2.89Å; Y186-K202 HydrophobicContact CD2-CB 4Å; Y186-K202 HydrophobicContact CE1-CD 4.03Å; Y186-K202 HydrophobicContact CE2-CB 3.98Å; Y186-K202 HydrophobicContact CE2-CD 4Å; Y186-K202 HydrophobicContact CG-CB 4.31Å; A190-K202 PolarHBondContact N-O 3.5Å; A190-K202 PolarHBondContact O-N 3.42Å; P191-K202 WeakPolarHBondContact O-CE 3.4Å; P191-K202 PolarHBondContact O-NZ 2.94Å; Y192-K202 VanDerWaalsContact C-CE 3.45Å; Y192-K202 HydrophobicContact CD2-CG 4.41Å; Y192-K202 WeakPolarHBondContact O-CE 3.39Å; Y192-K202 PolarHBondContact O-NZ 3.49Å; K202-F246 HydrophobicContact CB-CD1 4.45Å; K202-F246 HydrophobicContact CD-CD1 3.98Å; K202-F246 HydrophobicContact CD-CE1 3.9Å; K202-F246 HydrophobicContact CG-CD1 4.04Å; K202-F246 HydrophobicContact CG-CE1 4.47Å
203R95.4Very high86.3Confident25 Ų2550.5 Ų50.59%0.09429%0.288CS..EExtended strand (participates in β ladder)trans-126.1-34.1171-172.756.2164.3154.1-4.6112.7E144 R185 Y186 L189 L247 W278 E318E144-R203 VanDerWaalsContact CD-NH1 3.34Å; E144-R203 IonicContact OE1-CZ 2.8Å; E144-R203 IonicContact OE1-NH1 3.09Å; E144-R203 PolarHBondContact OE1-NH1 3.43Å; E144-R203 IonicContact OE1-NH2 3.67Å; E144-R203 PolarHBondContact OE1-NH2 3.47Å; E144-R203 IonicContact OE2-CZ 2.54Å; E144-R203 IonicContact OE2-NH1 3.54Å; E144-R203 IonicContact OE2-NH2 2.97Å; R185-R203 VanDerWaalsContact CZ-CZ 3.46Å; R185-R203 VanDerWaalsContact CZ-NE 3.29Å; Y186-R203 PolarHBondContact N-O 2.82Å; Y186-R203 PolarHBondContact O-NH1 3Å; L189-R203 HydrophobicContact CD2-CB 4.32Å; R203-L247 HydrophobicContact CB-CD2 4.08Å; R203-L247 HydrophobicContact CB-CG 4.24Å; R203-L247 HydrophobicContact CG-CD2 4.12Å; R203-L247 PolarHBondContact N-O 3.24Å; R203-W278 HydrophobicContact CB-CH2 4.1Å; R203-W278 HydrophobicContact CB-CZ3 3.54Å; R203-W278 HydrophobicContact CG-CH2 3.93Å; R203-W278 HydrophobicContact CG-CZ3 3.72Å; R203-E318 IonicContact CZ-OE1 2.91Å; R203-E318 IonicContact NE-OE1 3.17Å; R203-E318 PolarHBondContact NE-OE1 3.03Å; R203-E318 IonicContact NE-OE2 2.73Å; R203-E318 IonicContact NH2-OE1 2.82Å; R203-E318 PolarHBondContact NH2-OE1 3.2Å; R203-E318 IonicContact NH2-OE2 3.62Å
204M96.7Very high84.5Confident0 Ų054.2 Ų54.20%032%0.316CS..EExtended strand (participates in β ladder)trans-141.1154.8173.7-61.6-176.765.500110.7I171 I183 Y184 W206 F246 L247 A321 A324I171-M204 HydrophobicContact CD1-CE 3.77Å; I183-M204 HydrophobicContact CG2-CE 3.72Å; Y184-M204 VanDerWaalsContact O-CA 3.31Å; Y184-M204 WeakPolarHBondContact O-CA 3.42Å; M204-W206 HydrophobicContact CB-CH2 3.73Å; M204-W206 HydrophobicContact CB-CZ2 4.04Å; M204-W206 HydrophobicContact CB-CZ3 3.99Å; M204-W206 HydrophobicContact CE-CH2 4.34Å; M204-W206 HydrophobicContact CE-CZ2 3.61Å; M204-W206 HydrophobicContact CG-CH2 4.47Å; M204-W206 HydrophobicContact SD-CH2 4.09Å; M204-W206 HydrophobicContact SD-CZ2 3.89Å; M204-F246 VanDerWaalsContact O-CA 3.29Å; M204-F246 WeakPolarHBondContact O-CA 3.35Å; M204-L247 HydrophobicContact CB-CB 3.9Å; M204-L247 HydrophobicContact CB-CD2 4.42Å; M204-L247 HydrophobicContact CG-CB 4.43Å; M204-L247 HydrophobicContact CG-CD2 4.04Å; M204-L247 PolarHBondContact N-O 3.11Å; M204-L247 PolarHBondContact O-N 3.03Å; M204-L247 HydrophobicContact SD-CD2 4.07Å; M204-A321 HydrophobicContact CE-CB 3.65Å; M204-A321 VanDerWaalsContact SD-CA 3.56Å; M204-A321 HydrophobicContact SD-CB 3.8Å; M204-A324 HydrophobicContact SD-CB 4.13Å
205R97.1Very high83Confident40 Ų4056.3 Ų56.315%0.15132%0.32CS..EExtended strand (participates in β ladder)trans-126.7139.2169.7179.5-173.678-157.5-4.9109.5Y184 Y186 N207 Y245 F246Y184-R205 VanDerWaalsContact CD1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CD2-NH2 3.29Å; Y184-R205 VanDerWaalsContact CE1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CE2-NH2 3.3Å; Y184-R205 VanDerWaalsContact CG-NH2 3.32Å; Y184-R205 VanDerWaalsContact CZ-NH2 3.33Å; Y184-R205 PolarHBondContact N-O 2.99Å; Y184-R205 PolarHBondContact O-N 2.89Å; Y186-R205 HydrophobicContact CE2-CB 4Å; R205-N207 WeakPolarHBondContact CD-OD1 3.42Å; R205-N207 PolarHBondContact NE-OD1 3.36Å; R205-Y245 CarbonylContact C-O 3.55Å; R205-Y245 VanDerWaalsContact CA-O 3.31Å; R205-Y245 WeakPolarHBondContact CA-O 3.29Å; R205-F246 HydrophobicContact CB-CD1 3.85Å; R205-F246 HydrophobicContact CB-CE1 3.64Å; R205-F246 HydrophobicContact CB-CZ 4.36Å; R205-F246 HydrophobicContact CG-CD1 4.09Å; R205-F246 HydrophobicContact CG-CE1 3.56Å; R205-F246 HydrophobicContact CG-CE2 4.44Å; R205-F246 HydrophobicContact CG-CZ 3.77Å
206W98.4Very high81.7Confident0 Ų059.4 Ų59.40%031%0.31CS..EExtended strand (participates in β ladder)trans-117.9136.1166.2-61.8-94.9000109.9L181 S182 M204 Y244 Y245 L247 I280 A324 T325 L328L181-W206 HydrophobicContact CD1-CB 3.8Å; L181-W206 HydrophobicContact CD1-CG 4.17Å; S182-W206 CarbonylContact O-C 3.47Å; S182-W206 VanDerWaalsContact O-CA 3.29Å; S182-W206 WeakPolarHBondContact O-CA 3.13Å; M204-W206 HydrophobicContact CB-CH2 3.73Å; M204-W206 HydrophobicContact CB-CZ2 4.04Å; M204-W206 HydrophobicContact CB-CZ3 3.99Å; M204-W206 HydrophobicContact CE-CH2 4.34Å; M204-W206 HydrophobicContact CE-CZ2 3.61Å; M204-W206 HydrophobicContact CG-CH2 4.47Å; M204-W206 HydrophobicContact SD-CH2 4.09Å; M204-W206 HydrophobicContact SD-CZ2 3.89Å; W206-Y244 WeakPolarHBondContact O-CA 3.07Å; W206-Y245 PolarHBondContact N-O 3.3Å; W206-Y245 PolarHBondContact O-N 3.44Å; W206-L247 HydrophobicContact CH2-CB 3.69Å; W206-L247 HydrophobicContact CZ3-CB 3.69Å; W206-I280 HydrophobicContact CZ3-CG2 4.49Å; W206-A324 HydrophobicContact CH2-CB 3.84Å; W206-A324 HydrophobicContact CZ2-CB 3.94Å; W206-T325 PolarHBondContact NE1-OG1 3.47Å; W206-L328 HydrophobicContact CB-CD2 3.53Å; W206-L328 HydrophobicContact CD2-CD2 3.45Å; W206-L328 VanDerWaalsContact CD2-CD2 3.45Å; W206-L328 HydrophobicContact CE3-CD2 3.83Å; W206-L328 HydrophobicContact CG-CD2 3.29Å
207N97.6Very high80.2Confident19 Ų1965.3 Ų65.310%0.10233%0.333CS..EExtended strand (participates in β ladder)trans-103122.3167.5-56.66.9000106.8L181 S182 R205 T242 Y244L181-N207 WeakPolarHBondContact CA-O 3.49Å; S182-N207 PolarHBondContact N-O 3.44Å; S182-N207 PolarHBondContact O-N 3.45Å; R205-N207 WeakPolarHBondContact CD-OD1 3.42Å; R205-N207 PolarHBondContact NE-OD1 3.36Å; N207-T242 HydrophobicContact CB-CG2 4.08Å; N207-Y244 HydrophobicContact CB-CD1 4.45Å; N207-Y244 HydrophobicContact CB-CE1 4.43Å; N207-Y244 WeakPolarHBondContact OD1-CD1 3.36Å
208V96.6Very high78.5Confident0 Ų065.4 Ų65.40%033%0.334CS..EExtended strand (participates in β ladder)trans-109.4108.6-178.5179.80000107.9V179 G180 L181 R210 T242 E243 Y245 L332V179-V208 HydrophobicContact CG1-CG1 3.46Å; V179-V208 VanDerWaalsContact CG1-CG1 3.46Å; G180-V208 CarbonylContact O-C 3.5Å; G180-V208 WeakPolarHBondContact O-CA 3.27Å; L181-V208 HydrophobicContact CD1-CG2 3.63Å; V208-R210 HydrophobicContact CG1-CG 4.47Å; V208-T242 WeakPolarHBondContact O-CA 3.48Å; V208-E243 HydrophobicContact CB-CB 4.33Å; V208-E243 PolarHBondContact N-O 3.08Å; V208-E243 PolarHBondContact O-N 3.48Å; V208-Y245 HydrophobicContact CB-CD2 4.23Å; V208-Y245 HydrophobicContact CB-CE2 4Å; V208-Y245 HydrophobicContact CG2-CD2 3.49Å; V208-Y245 VanDerWaalsContact CG2-CD2 3.49Å; V208-Y245 HydrophobicContact CG2-CE2 3.62Å; V208-L332 HydrophobicContact CG1-CD1 4.31Å; V208-L332 HydrophobicContact CG2-CD1 3.89Å
209E95.4Very high76.4Confident77 Ų7769.2 Ų69.236%0.3636%0.357SS..EExtended strand (participates in β ladder)trans-97.4116.3-178.9-67.4165-158.400109.1V179 G180 T242V179-E209 WeakPolarHBondContact CA-O 3.35Å; G180-E209 PolarHBondContact N-O 3.43Å; G180-E209 PolarHBondContact O-N 3.37Å; E209-T242 HydrophobicContact CG-CG2 4.33Å
210R90.9Very high73.9Confident58 Ų5871.7 Ų71.722%0.21938%0.383CS..EExtended strand (participates in β ladder)trans-107.1141172.9-65.4-168.9-178.478.6-9.2110.7V179 V208 S212 T240 E241 E243V179-R210 HydrophobicContact CG1-CG 4.29Å; V179-R210 HydrophobicContact CG2-CG 4.27Å; V208-R210 HydrophobicContact CG1-CG 4.47Å; R210-S212 PolarHBondContact O-N 3.04Å; R210-T240 WeakPolarHBondContact O-CA 3.39Å; R210-E241 PolarHBondContact N-O 3.42Å; R210-E241 PolarHBondContact O-N 3.02Å; R210-E241 VanDerWaalsContact O-N 3.17Å; R210-E243 IonicContact CZ-OE1 3.5Å; R210-E243 IonicContact CZ-OE2 3.06Å; R210-E243 IonicContact NH1-OE1 3.57Å; R210-E243 PolarHBondContact NH1-OE1 3.43Å; R210-E243 IonicContact NH1-OE2 3.53Å; R210-E243 PolarHBondContact NH1-OE2 2.81Å; R210-E243 IonicContact NH2-OE2 3.81Å
211P82.6Confident71Confident67 Ų6774.1 Ų74.144%0.43541%0.412SS..EExtended strand (participates in β ladder)trans-64.6126.9171.7-6.420.3000108.7R178 E213R178-P211 HydrophobicContact CB-CG 3.87Å; R178-P211 WeakPolarHBondContact O-CD 3.28Å; R178-P211 WeakPolarHBondContact O-CG 3.22Å; P211-E213 PolarHBondContact O-N 3.19Å
212S70.9Confident68.5Low45 Ų4581 Ų8132%0.31545%0.446SS..  trans-66.2130.4172.9-174.40000110.1R210 S214 A239R210-S212 PolarHBondContact O-N 3.04Å; S212-S214 PolarHBondContact O-N 3.36Å; S212-S214 PolarHBondContact OG-OG 3.31Å; S212-A239 WeakPolarHBondContact CB-O 3.43Å; S212-A239 PolarHBondContact N-O 3.35Å
213E57.4Low65.7Low177 Ų17790.1 Ų90.183%0.82749%0.486SS*.G310 helixtrans-72.2-14.1177.7-64.3-179.1161.800112.4P211 L215P211-E213 PolarHBondContact O-N 3.19Å; E213-L215 VanDerWaalsContact C-N 3.25Å; E213-L215 PolarHBondContact O-N 2.63Å
214S46.7Very low62.9Low94 Ų9498.6 Ų98.666%0.65753%0.527SS*.G310 helixtrans-70.2-1-169.461.90000117.1S212S212-S214 PolarHBondContact O-N 3.36Å; S212-S214 PolarHBondContact OG-OG 3.31Å
215L44.2Very low59.8Low91 Ų91101.8 Ų101.848%0.47656%0.56SS.*G310 helixtrans-114.24.4-176.4-98.9141000114.5E213E213-L215 VanDerWaalsContact C-N 3.25Å; E213-L215 PolarHBondContact O-N 2.63Å
216Q41.7Very low56.7Low156 Ų156109 Ų10973%0.72960%0.595SS**SBendtrans-87.5-8.4-174.2-136.2157.637.100114.5
217E42.7Very low54.2Low192 Ų192114.7 Ų114.790%0.89763%0.632SS**SBendtrans-91-10.6-179-69.7-173161.800115T219E217-T219 PolarHBondContact O-N 3.21Å
218E43.5Very low51.5Low162 Ų162123.3 Ų123.376%0.75767%0.672SS**THydrogen-bonded Turntrans-91.99-174.8-66.7-161.3165.400115.9
219T40.5Very low48.9Very low137 Ų137132.2 Ų132.284%0.8471%0.713SS**THydrogen-bonded Turntrans-98.513.1178.1-38.20000113.4E217E217-T219 PolarHBondContact O-N 3.21Å
220G33.6Very low46.3Very low78 Ų78136 Ų13680%0.80474%0.736SS**SBendtrans-11226.2-176.300000115.9
221G31.8Very low43.6Very low70 Ų70144.1 Ų144.172%0.72277%0.767SS**  trans-134.6100.7-178.200000113K223G221-K223 PolarHBondContact O-N 2.92Å
222E39.9Very low41.3Very low198 Ų198147 Ų14793%0.92579%0.786SS**  trans-57.7117.7167.7-61.3174151.400110.5
223K36Very low39.8Very low207 Ų207151.6 Ų151.690%0.981%0.811SS**  trans-143113152.2-76.8-163.3177175.60111.1G221G221-K223 PolarHBondContact O-N 2.92Å
224E36.3Very low38.8Very low202 Ų202147.4 Ų147.494%0.94481%0.807SS**  trans-59.7147.9163.7-71.2176.3129.400112
225G31.7Very low38.3Very low68 Ų68145.9 Ų145.970%0.70181%0.806SS**  trans106.993141.500000118.7
226H32.6Very low37.8Very low190 Ų190150.1 Ų150.188%0.8882%0.821SS**  trans131.2137.1131.2-79.1-47.5000116.1
227P46.6Very low37.8Very low121 Ų121151.2 Ų151.279%0.78683%0.826SS**  trans-92.2122.8178.335.2-25.9000110
228E39Very low38Very low199 Ų199152.5 Ų152.593%0.9382%0.822SS**  trans-135.5130.6162.9-122-179.4-178.200110.1
229E43.4Very low38.6Very low187 Ų187147.6 Ų147.687%0.87481%0.81SS**  trans-72.1168.1-172.9-68.6173.7142.500113
230D40.5Very low39.7Very low158 Ų158144.3 Ų144.385%0.84579%0.789SS**  trans69.476.4165.7-81.5-6.4000118.5
231R34.3Very low42.1Very low228 Ų228146.9 Ų146.986%0.8678%0.781SS**  trans-134.6137.6139.1-67.2-171.9-179.9-177.60.4109.6V233R231-V233 PolarHBondContact O-N 3.44Å
232P33.7Very low45Very low128 Ų128145.8 Ų145.883%0.83176%0.76SS**  trans-62.1115.6173.825.9-30.5000107.6A234P232-A234 PolarHBondContact O-N 3.45Å
233V39.3Very low47.7Very low140 Ų140138.3 Ų138.385%0.84873%0.725SS**  trans-68.979.3169.6-178.60000106.6R231 G235R231-V233 PolarHBondContact O-N 3.44Å; V233-G235 PolarHBondContact O-N 3.19Å
234A37.7Very low50.5Low89 Ų89132.4 Ų132.474%0.73670%0.698SS**  trans-58.5120.6156.600000105.6P232 K236P232-A234 PolarHBondContact O-N 3.45Å; A234-K236 PolarHBondContact O-N 3.05Å
235G35.3Very low53.4Low62 Ų62123.4 Ų123.464%0.63966%0.655SS**  trans-48.1127.8-169.100000111.4V233 E237V233-G235 PolarHBondContact O-N 3.19Å; G235-E237 PolarHBondContact O-N 3.01Å
236K34Very low56.6Low180 Ų180120.7 Ų120.778%0.78362%0.624SS**  trans-63.870.5153.2-92.2-179169.2-177.90107.3A234 R238A234-K236 PolarHBondContact O-N 3.05Å; K236-R238 PolarHBondContact O-N 3.07Å
237E42.2Very low59.7Low180 Ų180111.6 Ų111.684%0.84158%0.582SS**  trans-57121.9153.3-76.7-176.4164.300104.6G235 A239G235-E237 PolarHBondContact O-N 3.01Å; E237-A239 PolarHBondContact O-N 2.91Å
238R45.9Very low62Low218 Ų218105.9 Ų105.982%0.82355%0.545SS*.  trans-51.9117.5171.8-68.2179.5-171.3-167.71.1105.4K236 T240K236-R238 PolarHBondContact O-N 3.07Å; R238-T240 VanDerWaalsContact C-N 3.32Å; R238-T240 PolarHBondContact O-N 2.99Å
239A55.6Low64.6Low60 Ų6097.1 Ų97.150%0.49650%0.503SS..  trans-58.6103.3173.700000106.6S212 E237S212-A239 WeakPolarHBondContact CB-O 3.43Å; S212-A239 PolarHBondContact N-O 3.35Å; E237-A239 PolarHBondContact O-N 2.91Å
240T64Low67Low67 Ų6790.6 Ų90.641%0.41147%0.473SS..EExtended strand (participates in β ladder)trans-100.3120.7173.746.40000106.7R210 R238 T242R210-T240 WeakPolarHBondContact O-CA 3.39Å; R238-T240 VanDerWaalsContact C-N 3.32Å; R238-T240 PolarHBondContact O-N 2.99Å; T240-T242 PolarHBondContact O-N 3.06Å
241E85.3Confident69.3Low132 Ų13288 Ų8862%0.61746%0.456SS*.EExtended strand (participates in β ladder)trans-71.1121.6173.7-166.5170.2-172.600107.7R210R210-E241 PolarHBondContact N-O 3.42Å; R210-E241 PolarHBondContact O-N 3.02Å; R210-E241 VanDerWaalsContact O-N 3.17Å
242T92.4Very high71.7Confident47 Ų4779.6 Ų79.629%0.28843%0.43SS..EExtended strand (participates in β ladder)trans-106.6115.4-179.2-55.80000109.1N207 V208 E209 T240 Y244N207-T242 HydrophobicContact CB-CG2 4.08Å; V208-T242 WeakPolarHBondContact O-CA 3.48Å; E209-T242 HydrophobicContact CG-CG2 4.33Å; T240-T242 PolarHBondContact O-N 3.06Å; T242-Y244 HydrophobicContact CG2-CE1 3.96Å; T242-Y244 HydrophobicContact CG2-CE2 4.47Å
243E94.9Very high73.9Confident41 Ų4178.2 Ų78.219%0.19242%0.421CS..EExtended strand (participates in β ladder)trans-97.5145.3172-69.6171.3-159.300110.5V208 R210 Y245V208-E243 HydrophobicContact CB-CB 4.33Å; V208-E243 PolarHBondContact N-O 3.08Å; V208-E243 PolarHBondContact O-N 3.48Å; R210-E243 IonicContact CZ-OE1 3.5Å; R210-E243 IonicContact CZ-OE2 3.06Å; R210-E243 IonicContact NH1-OE1 3.57Å; R210-E243 PolarHBondContact NH1-OE1 3.43Å; R210-E243 IonicContact NH1-OE2 3.53Å; R210-E243 PolarHBondContact NH1-OE2 2.81Å; R210-E243 IonicContact NH2-OE2 3.81Å; E243-Y245 HydrophobicContact CB-CD2 4.36Å; E243-Y245 HydrophobicContact CB-CE2 3.64Å; E243-Y245 VanDerWaalsContact OE2-CE2 3.31Å; E243-Y245 WeakPolarHBondContact OE2-CE2 3.21Å; E243-Y245 PolarHBondContact OE2-OH 3.32Å
244Y96.1Very high75.6Confident84 Ų8476.1 Ų76.133%0.32940%0.401SS..EExtended strand (participates in β ladder)trans-110.7129.8179.2-57.1-79.3000110.5W206 N207 T242 W283W206-Y244 WeakPolarHBondContact O-CA 3.07Å; N207-Y244 HydrophobicContact CB-CD1 4.45Å; N207-Y244 HydrophobicContact CB-CE1 4.43Å; N207-Y244 WeakPolarHBondContact OD1-CD1 3.36Å; T242-Y244 HydrophobicContact CG2-CE1 3.96Å; T242-Y244 HydrophobicContact CG2-CE2 4.47Å; Y244-W283 HydrophobicContact CD2-CE3 4.14Å; Y244-W283 PolarHBondContact O-N 3.4Å
245Y97.7Very high76.8Confident12 Ų1280.1 Ų80.15%0.04741%0.405CS..EExtended strand (participates in β ladder)trans-121.6146.6176.1-66-99.8000109.7R205 W206 V208 E243 G281 Q282 I311 L328 L332R205-Y245 CarbonylContact C-O 3.55Å; R205-Y245 VanDerWaalsContact CA-O 3.31Å; R205-Y245 WeakPolarHBondContact CA-O 3.29Å; W206-Y245 PolarHBondContact N-O 3.3Å; W206-Y245 PolarHBondContact O-N 3.44Å; V208-Y245 HydrophobicContact CB-CD2 4.23Å; V208-Y245 HydrophobicContact CB-CE2 4Å; V208-Y245 HydrophobicContact CG2-CD2 3.49Å; V208-Y245 VanDerWaalsContact CG2-CD2 3.49Å; V208-Y245 HydrophobicContact CG2-CE2 3.62Å; E243-Y245 HydrophobicContact CB-CD2 4.36Å; E243-Y245 HydrophobicContact CB-CE2 3.64Å; E243-Y245 VanDerWaalsContact OE2-CE2 3.31Å; E243-Y245 WeakPolarHBondContact OE2-CE2 3.21Å; E243-Y245 PolarHBondContact OE2-OH 3.32Å; Y245-G281 CarbonylContact C-O 3.58Å; Y245-G281 WeakPolarHBondContact CA-O 3.48Å; Y245-Q282 HydrophobicContact CD1-CB 3.95Å; Y245-Q282 HydrophobicContact CD1-CG 4.33Å; Y245-Q282 HydrophobicContact CE1-CB 3.7Å; Y245-Q282 HydrophobicContact CE1-CG 3.9Å; Y245-Q282 HydrophobicContact CE2-CG 4.47Å; Y245-I311 HydrophobicContact CD1-CD1 3.72Å; Y245-I311 HydrophobicContact CE1-CD1 3.7Å; Y245-L328 HydrophobicContact CD1-CD1 3.75Å; Y245-L328 HydrophobicContact CE1-CD1 4.32Å; Y245-L328 HydrophobicContact CG-CD1 3.92Å; Y245-L332 HydrophobicContact CE1-CD2 4.12Å; Y245-L332 HydrophobicContact CE2-CD2 4.22Å
246F97.5Very high77.9Confident11 Ų1182.7 Ų82.75%0.04841%0.41CS..EExtended strand (participates in β ladder)trans-132.9137.5-178-65.7-93000111.6Y186 Y192 K202 M204 R205 I280 G281 W283 Y308Y186-F246 HydrophobicContact CE2-CD1 4.45Å; Y186-F246 HydrophobicContact CE2-CE1 4.29Å; Y192-F246 HydrophobicContact CE2-CD2 4.11Å; Y192-F246 HydrophobicContact CE2-CG 4.36Å; K202-F246 HydrophobicContact CB-CD1 4.45Å; K202-F246 HydrophobicContact CD-CD1 3.98Å; K202-F246 HydrophobicContact CD-CE1 3.9Å; K202-F246 HydrophobicContact CG-CD1 4.04Å; K202-F246 HydrophobicContact CG-CE1 4.47Å; M204-F246 VanDerWaalsContact O-CA 3.29Å; M204-F246 WeakPolarHBondContact O-CA 3.35Å; R205-F246 HydrophobicContact CB-CD1 3.85Å; R205-F246 HydrophobicContact CB-CE1 3.64Å; R205-F246 HydrophobicContact CB-CZ 4.36Å; R205-F246 HydrophobicContact CG-CD1 4.09Å; R205-F246 HydrophobicContact CG-CE1 3.56Å; R205-F246 HydrophobicContact CG-CE2 4.44Å; R205-F246 HydrophobicContact CG-CZ 3.77Å; F246-I280 WeakPolarHBondContact O-CA 3.29Å; F246-G281 PolarHBondContact N-O 2.63Å; F246-G281 PolarHBondContact O-N 2.84Å; F246-W283 HydrophobicContact CD2-CB 3.8Å; F246-W283 HydrophobicContact CD2-CG 4.5Å; F246-W283 HydrophobicContact CE2-CB 3.51Å; F246-W283 AromaticContact CE2-CD1 3.87Å; F246-W283 AromaticContact CE2-CG 3.87Å; F246-W283 HydrophobicContact CE2-CG 3.87Å; F246-Y308 HydrophobicContact CB-CE2 4.28Å; F246-Y308 PolarHBondContact O-OH 2.98Å
247L97.7Very high78.9Confident0 Ų078.9 Ų78.90%041%0.413CS..EExtended strand (participates in β ladder)trans-85.3118.7161.5175.769.2000106.4R203 M204 W206 W278 S279 I280 L314 P319 A324R203-L247 HydrophobicContact CB-CD2 4.08Å; R203-L247 HydrophobicContact CB-CG 4.24Å; R203-L247 HydrophobicContact CG-CD2 4.12Å; R203-L247 PolarHBondContact N-O 3.24Å; M204-L247 HydrophobicContact CB-CB 3.9Å; M204-L247 HydrophobicContact CB-CD2 4.42Å; M204-L247 HydrophobicContact CG-CB 4.43Å; M204-L247 HydrophobicContact CG-CD2 4.04Å; M204-L247 PolarHBondContact N-O 3.11Å; M204-L247 PolarHBondContact O-N 3.03Å; M204-L247 HydrophobicContact SD-CD2 4.07Å; W206-L247 HydrophobicContact CH2-CB 3.69Å; W206-L247 HydrophobicContact CZ3-CB 3.69Å; L247-W278 HydrophobicContact CD1-CE3 4.07Å; L247-W278 HydrophobicContact CD2-CE3 4.26Å; L247-W278 HydrophobicContact CD2-CZ3 4.3Å; L247-W278 HydrophobicContact CG-CE3 3.96Å; L247-W278 HydrophobicContact CG-CZ3 4.23Å; L247-S279 WeakPolarHBondContact CA-O 3.47Å; L247-I280 HydrophobicContact CD1-CG1 4.12Å; L247-L314 HydrophobicContact CD1-CD1 3.7Å; L247-P319 HydrophobicContact CD1-CG 3.87Å; L247-P319 HydrophobicContact CD2-CG 3.77Å; L247-P319 HydrophobicContact CG-CG 4.49Å; L247-A324 HydrophobicContact CD2-CB 4.06Å
248C96.4Very high79.5Confident0 Ų079.8 Ų79.80%042%0.417CS..EExtended strand (participates in β ladder)trans-122.3153.5177.4-69.30000110.4L200 Y201 W278 S279 Y308L200-C248 HydrophobicContact CD2-CB 4.06Å; Y201-C248 CarbonylContact O-C 3.58Å; Y201-C248 WeakPolarHBondContact O-CA 3.4Å; C248-W278 WeakPolarHBondContact O-CA 3.49Å; C248-S279 PolarHBondContact N-O 2.94Å; C248-S279 PolarHBondContact O-N 3.12Å; C248-Y308 HydrophobicContact CB-CE2 4.21Å
249Y93.6Very high79.6Confident15 Ų1573.1 Ų73.16%0.05942%0.416CS..EExtended strand (participates in β ladder)trans-111.3149.1158.690.6-80.4000110.4L189 Y201 E251 K276 M277 W278L189-Y249 HydrophobicContact CB-CE1 4.06Å; L189-Y249 HydrophobicContact CD1-CD1 4.03Å; L189-Y249 HydrophobicContact CD1-CE1 3.22Å; L189-Y249 HydrophobicContact CD2-CD1 3.56Å; L189-Y249 HydrophobicContact CD2-CE1 3.49Å; L189-Y249 VanDerWaalsContact CD2-CE1 3.49Å; L189-Y249 HydrophobicContact CG-CD1 4.3Å; L189-Y249 HydrophobicContact CG-CE1 3.72Å; Y201-Y249 HydrophobicContact CD2-CD1 4.3Å; Y201-Y249 AromaticContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE2 4.22Å; Y201-Y249 AromaticContact CD2-CZ 3.53Å; Y201-Y249 HydrophobicContact CG-CD1 4.38Å; Y201-Y249 AromaticContact CG-CE1 3.64Å; Y201-Y249 HydrophobicContact CG-CE1 3.64Å; Y201-Y249 PolarHBondContact N-O 2.88Å; Y201-Y249 PolarHBondContact O-N 3.4Å; Y249-E251 HydrophobicContact CD2-CG 4.34Å; Y249-E251 HydrophobicContact CE2-CG 3.67Å; Y249-E251 PolarHBondContact OH-OE1 2.9Å; Y249-K276 HydrophobicContact CD2-CB 3.93Å; Y249-K276 HydrophobicContact CD2-CD 3.94Å; Y249-K276 HydrophobicContact CD2-CG 3.78Å; Y249-K276 HydrophobicContact CE2-CD 3.9Å; Y249-K276 HydrophobicContact CE2-CG 3.9Å; Y249-M277 CarbonylContact C-O 3.58Å; Y249-M277 WeakPolarHBondContact CA-O 3.35Å; Y249-W278 HydrophobicContact CD1-CH2 4.16Å; Y249-W278 HydrophobicContact CD1-CZ3 4.45Å; Y249-W278 HydrophobicContact CG-CH2 4.33Å; Y249-W278 HydrophobicContact CG-CZ2 4.33Å
250E93.3Very high78.9Confident50 Ų5073.7 Ų73.723%0.23443%0.428CS..EExtended strand (participates in β ladder)trans-121.1149.4170.156.3-172.4176.300109.4L200 V252 K276 M277 R310L200-E250 HydrophobicContact CD2-CB 3.86Å; E250-V252 HydrophobicContact CG-CG2 3.77Å; E250-K276 CarbonylContact O-C 3.49Å; E250-K276 WeakPolarHBondContact O-CA 3.45Å; E250-M277 HydrophobicContact CG-CB 3.85Å; E250-M277 PolarHBondContact N-O 3Å; E250-M277 PolarHBondContact O-N 3.4Å; E250-R310 IonicContact OE1-NH1 3.32Å; E250-R310 PolarHBondContact OE1-NH1 3.45Å; E250-R310 VanDerWaalsContact OE1-NH1 3.09Å
251E89.1Confident78.2Confident105 Ų10579 Ų7949%0.49145%0.454SS..EExtended strand (participates in β ladder)trans-95109.5174-79.9-174.8-174.400108.8Y249 V274Y249-E251 HydrophobicContact CD2-CG 4.34Å; Y249-E251 HydrophobicContact CE2-CG 3.67Å; Y249-E251 PolarHBondContact OH-OE1 2.9Å; E251-V274 HydrophobicContact CB-CG1 3.55Å; E251-V274 HydrophobicContact CG-CG1 4.07Å
252V83.9Confident76.2Confident51 Ų5176 Ų7631%0.30946%0.457SS..EExtended strand (participates in β ladder)trans-108.8134.1-176.8-170.90000109.1E250 E254 V274 V275 M277E250-V252 HydrophobicContact CG-CG2 3.77Å; V252-E254 PolarHBondContact O-N 2.77Å; V252-V274 CarbonylContact O-C 3.4Å; V252-V274 WeakPolarHBondContact O-CA 3.48Å; V252-V275 PolarHBondContact N-O 3.34Å; V252-V275 PolarHBondContact O-N 3.19Å; V252-M277 HydrophobicContact CB-CG 4.14Å; V252-M277 HydrophobicContact CG2-CB 3.96Å; V252-M277 HydrophobicContact CG2-CG 3.64Å
253P80.9Confident74.1Confident99 Ų9983.9 Ų83.964%0.64349%0.491SS*.EExtended strand (participates in β ladder)trans-56.8131.5172.5-20.831.7000110.6E255P253-E255 PolarHBondContact O-N 2.91Å
254E73.8Confident71.5Confident95 Ų9585.2 Ų85.244%0.44452%0.516SS..PPolyproline II helixtrans-67.5123170.3-164170.5178.700108.1V252 N273 V275V252-E254 PolarHBondContact O-N 2.77Å; E254-N273 WeakPolarHBondContact CA-O 3.36Å; E254-N273 HydrophobicContact CB-CB 4.26Å; E254-N273 WeakPolarHBondContact CB-O 3.32Å; E254-N273 PolarHBondContact N-O 3Å; E254-N273 WeakPolarHBondContact OE2-CB 3.44Å; E254-N273 VanDerWaalsContact OE2-CG 3.22Å; E254-N273 PolarHBondContact OE2-ND2 2.97Å; E254-V275 HydrophobicContact CB-CG2 3.95Å; E254-V275 HydrophobicContact CG-CG2 3.96Å
255E63.2Low69.1Low174 Ų17491.9 Ų91.981%0.81355%0.547SS*.PPolyproline II helixtrans-64.6129.7174.4-65.3-138.5152.200108.9P253 A257P253-E255 PolarHBondContact O-N 2.91Å; E255-A257 PolarHBondContact O-N 3.09Å
256P58.3Low66.4Low115 Ų11594.2 Ų94.275%0.74758%0.575SS**PPolyproline II helixtrans-60.7126.9178.324.7-31.5000108.4E258P256-E258 PolarHBondContact O-N 2.72Å
257A54.7Low63.8Low101 Ų101103.5 Ų103.584%0.83562%0.618SS**  trans-51.4114.1174.400000109.1E255 G259E255-A257 PolarHBondContact O-N 3.09Å; A257-G259 PolarHBondContact O-N 2.91Å
258E56.1Low61.1Low199 Ų199109.2 Ų109.293%0.9365%0.654SS**SBendtrans-59.8124.6175-75.4-173.1150.800109.4P256P256-E258 PolarHBondContact O-N 2.72Å
259G47.8Very low58.5Low78 Ų78115.7 Ų115.780%0.80469%0.692SS**  trans98.884.715700000116.1A257A257-G259 PolarHBondContact O-N 2.91Å
260G39.6Very low56.2Low72 Ų72119.1 Ų119.174%0.74272%0.724SS**  trans-145.283.4155.200000108.7G262G260-G262 PolarHBondContact O-N 3.43Å
261D50.2Low54.1Low179 Ų179124.2 Ų124.296%0.95775%0.751SS**  trans-52.7111.1174.5-63.8-26.6000109.7
262G43.1Very low52.5Low67 Ų67121.3 Ų121.369%0.69175%0.75SS**  trans-16385.8-179.500000110.6G260 G264G260-G262 PolarHBondContact O-N 3.43Å; G262-G264 PolarHBondContact O-N 2.89Å; G262-G264 VanDerWaalsContact O-N 3.16Å
263E48.9Very low51.9Low213 Ų213124.2 Ų124.2100%0.99576%0.764SS**  trans-44.7117.5167.9-77.3177.7127.800111.3
264G40.2Very low51.8Low70 Ų70123 Ų12372%0.72275%0.754SS**  trans-171.291.3178.200000112.7G262 G266G262-G264 PolarHBondContact O-N 2.89Å; G262-G264 VanDerWaalsContact O-N 3.16Å; G264-G266 PolarHBondContact O-N 3.41Å
265K45.6Very low52.3Low223 Ų223120.5 Ų120.597%0.9775%0.745SS**  trans-36.2125.7167.9-81169.8166.7174.50113.3
266G39.9Very low53.6Low62 Ų62116.9 Ų116.964%0.63973%0.727SS**  trans171.794.4166.500000110.1G264 T268G264-G266 PolarHBondContact O-N 3.41Å; G266-T268 PolarHBondContact O-N 2.86Å
267E43.7Very low55.3Low205 Ų205114.2 Ų114.296%0.95871%0.705SS**  trans-70.374.1172-164.1173.1-160.800108.8
268T41Very low57.3Low121 Ų121109.9 Ų109.974%0.74267%0.667SS**  trans-101.8114.5160.441.10000106G266 A270G266-T268 PolarHBondContact O-N 2.86Å; T268-A270 VanDerWaalsContact C-N 3.27Å; T268-A270 PolarHBondContact O-N 3.5Å
269V41.8Very low59.3Low135 Ų135100.5 Ų100.582%0.81862%0.623SS**  trans-52.697.8167.5178.10000106.6I271V269-I271 VanDerWaalsContact C-N 3.32Å; V269-I271 PolarHBondContact O-N 3.21Å
270A45.2Very low61.7Low87 Ų8796.8 Ų96.872%0.71959%0.585SS**  trans-62.6104.7168.100000104.5T268 G272T268-A270 VanDerWaalsContact C-N 3.27Å; T268-A270 PolarHBondContact O-N 3.5Å; A270-G272 PolarHBondContact O-N 2.93Å
271I48.4Very low64.4Low157 Ų15793.4 Ų93.481%0.80555%0.55SS*.  trans-57.699.2161.9-61.3172.3000103.1V269 N273V269-I271 VanDerWaalsContact C-N 3.32Å; V269-I271 PolarHBondContact O-N 3.21Å; I271-N273 PolarHBondContact O-N 3.44Å; I271-N273 VanDerWaalsContact O-N 3.14Å
272G56.3Low66.6Low45 Ų4587.1 Ų87.146%0.46452%0.515SS..  trans-50.8124.8179.700000107A270 V274A270-G272 PolarHBondContact O-N 2.93Å; G272-V274 WeakPolarHBondContact O-CG2 3.3Å; G272-V274 PolarHBondContact O-N 3.07Å
273N71.6Confident69Low112 Ų11286.6 Ų86.660%0.59949%0.492SS*.  trans-61138.9-178.9-165.930.3000107.3E254 I271E254-N273 WeakPolarHBondContact CA-O 3.36Å; E254-N273 HydrophobicContact CB-CB 4.26Å; E254-N273 WeakPolarHBondContact CB-O 3.32Å; E254-N273 PolarHBondContact N-O 3Å; E254-N273 WeakPolarHBondContact OE2-CB 3.44Å; E254-N273 VanDerWaalsContact OE2-CG 3.22Å; E254-N273 PolarHBondContact OE2-ND2 2.97Å; I271-N273 PolarHBondContact O-N 3.44Å; I271-N273 VanDerWaalsContact O-N 3.14Å
274V78.4Confident71.1Confident73 Ų7379.5 Ų79.544%0.44246%0.463SS..EExtended strand (participates in β ladder)trans-112.4123.8-173-1780000107.4E251 V252 G272E251-V274 HydrophobicContact CB-CG1 3.55Å; E251-V274 HydrophobicContact CG-CG1 4.07Å; V252-V274 CarbonylContact O-C 3.4Å; V252-V274 WeakPolarHBondContact O-CA 3.48Å; G272-V274 WeakPolarHBondContact O-CG2 3.3Å; G272-V274 PolarHBondContact O-N 3.07Å
275V84.4Confident73.4Confident43 Ų4378 Ų7826%0.26144%0.438SS..EExtended strand (participates in β ladder)trans-98130.6-179.7-178.90000108.9V252 E254 M277 A316V252-V275 PolarHBondContact N-O 3.34Å; V252-V275 PolarHBondContact O-N 3.19Å; E254-V275 HydrophobicContact CB-CG2 3.95Å; E254-V275 HydrophobicContact CG-CG2 3.96Å; V275-M277 HydrophobicContact CG1-SD 4.11Å; V275-A316 HydrophobicContact CG1-CB 3.85Å
276K90.3Very high75.4Confident97 Ų9770.4 Ų70.442%0.42241%0.41SS..EExtended strand (participates in β ladder)trans-73.8128.7170.8-65.2-175.3180-178.60108.4Y249 E250 A316Y249-K276 HydrophobicContact CD2-CB 3.93Å; Y249-K276 HydrophobicContact CD2-CD 3.94Å; Y249-K276 HydrophobicContact CD2-CG 3.78Å; Y249-K276 HydrophobicContact CE2-CD 3.9Å; Y249-K276 HydrophobicContact CE2-CG 3.9Å; E250-K276 CarbonylContact O-C 3.49Å; E250-K276 WeakPolarHBondContact O-CA 3.45Å; K276-A316 WeakPolarHBondContact O-CA 3.43Å
277M94.1Very high77.6Confident60 Ų6072.2 Ų72.230%0.29640%0.402SS..EExtended strand (participates in β ladder)trans-117.7122.1176.2-68.6-61.6-66.500109.7Y249 E250 V252 V275Y249-M277 CarbonylContact C-O 3.58Å; Y249-M277 WeakPolarHBondContact CA-O 3.35Å; E250-M277 HydrophobicContact CG-CB 3.85Å; E250-M277 PolarHBondContact N-O 3Å; E250-M277 PolarHBondContact O-N 3.4Å; V252-M277 HydrophobicContact CB-CG 4.14Å; V252-M277 HydrophobicContact CG2-CB 3.96Å; V252-M277 HydrophobicContact CG2-CG 3.64Å; V275-M277 HydrophobicContact CG1-SD 4.11Å
278W96.9Very high79.5Confident10 Ų1062.7 Ų62.74%0.03836%0.358CS..EExtended strand (participates in β ladder)trans-92.8137.3-179.8-66.290.9000110.9L189 R203 L247 C248 Y249 L314 G315 A316 E317 E318L189-W278 HydrophobicContact CD2-CH2 4.23Å; R203-W278 HydrophobicContact CB-CH2 4.1Å; R203-W278 HydrophobicContact CB-CZ3 3.54Å; R203-W278 HydrophobicContact CG-CH2 3.93Å; R203-W278 HydrophobicContact CG-CZ3 3.72Å; L247-W278 HydrophobicContact CD1-CE3 4.07Å; L247-W278 HydrophobicContact CD2-CE3 4.26Å; L247-W278 HydrophobicContact CD2-CZ3 4.3Å; L247-W278 HydrophobicContact CG-CE3 3.96Å; L247-W278 HydrophobicContact CG-CZ3 4.23Å; C248-W278 WeakPolarHBondContact O-CA 3.49Å; Y249-W278 HydrophobicContact CD1-CH2 4.16Å; Y249-W278 HydrophobicContact CD1-CZ3 4.45Å; Y249-W278 HydrophobicContact CG-CH2 4.33Å; Y249-W278 HydrophobicContact CG-CZ2 4.33Å; W278-L314 HydrophobicContact CB-CB 4.1Å; W278-L314 PolarHBondContact O-N 3.49Å; W278-G315 PolarHBondContact N-O 2.99Å; W278-A316 PolarHBondContact NE1-O 2.89Å; W278-E317 VanDerWaalsContact CD1-C 3.42Å; W278-E317 VanDerWaalsContact CD1-O 3.25Å; W278-E318 HydrophobicContact CD2-CB 4.34Å; W278-E318 HydrophobicContact CD2-CG 4.35Å; W278-E318 HydrophobicContact CE3-CG 4.45Å; W278-E318 HydrophobicContact CH2-CB 4.17Å; W278-E318 HydrophobicContact CH2-CG 3.62Å; W278-E318 HydrophobicContact CZ2-CB 3.49Å; W278-E318 VanDerWaalsContact CZ2-CB 3.49Å; W278-E318 HydrophobicContact CZ2-CG 3.5Å; W278-E318 VanDerWaalsContact CZ2-CG 3.5Å; W278-E318 HydrophobicContact CZ3-CG 4.12Å
279S97.3Very high81.4Confident1 Ų162.4 Ų62.41%0.00735%0.348CS..EExtended strand (participates in β ladder)trans-148.8157.8175.960.90000112.4L247 C248 Y308 L312L247-S279 WeakPolarHBondContact CA-O 3.47Å; C248-S279 PolarHBondContact N-O 2.94Å; C248-S279 PolarHBondContact O-N 3.12Å; S279-Y308 PolarHBondContact O-OH 2.66Å; S279-Y308 PolarHBondContact OG-OH 2.68Å; S279-L312 CarbonylContact C-O 3.58Å; S279-L312 WeakPolarHBondContact CA-O 3.47Å; S279-L312 WeakPolarHBondContact CB-O 3.39Å
280I98.1Very high83.1Confident1 Ų159.9 Ų59.91%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-106.4137169.8-55.3-179.2000107.5W206 F246 L247 Y308 I311 L312 L314 A324 C327 L328W206-I280 HydrophobicContact CZ3-CG2 4.49Å; F246-I280 WeakPolarHBondContact O-CA 3.29Å; L247-I280 HydrophobicContact CD1-CG1 4.12Å; I280-Y308 WeakPolarHBondContact CA-OH 3.48Å; I280-I311 HydrophobicContact CB-CG1 4.33Å; I280-I311 HydrophobicContact CG2-CD1 4.01Å; I280-I311 HydrophobicContact CG2-CG1 4.11Å; I280-I311 VanDerWaalsContact O-CG1 3.31Å; I280-I311 WeakPolarHBondContact O-CG1 3.48Å; I280-I311 PolarHBondContact O-N 3.36Å; I280-L312 HydrophobicContact CB-CB 4.31Å; I280-L312 HydrophobicContact CD1-CD2 4.26Å; I280-L312 PolarHBondContact N-O 3.28Å; I280-L312 PolarHBondContact O-N 2.94Å; I280-L312 VanDerWaalsContact O-N 3.11Å; I280-L314 HydrophobicContact CD1-CD1 4.2Å; I280-L314 HydrophobicContact CG1-CD1 3.98Å; I280-A324 WeakPolarHBondContact CD1-O 3.19Å; I280-C327 HydrophobicContact CD1-CB 4.04Å; I280-L328 HydrophobicContact CD1-CB 4.18Å; I280-L328 HydrophobicContact CG2-CD1 3.97Å
281G96.8Very high84.8Confident0 Ų063.7 Ų63.70%034%0.341CS..EExtended strand (participates in β ladder)trans-150.1153.6179.500000111.9Y245 F246 Y308 H309Y245-G281 CarbonylContact C-O 3.58Å; Y245-G281 WeakPolarHBondContact CA-O 3.48Å; F246-G281 PolarHBondContact N-O 2.63Å; F246-G281 PolarHBondContact O-N 2.84Å; G281-Y308 VanDerWaalsContact CA-CE2 3.43Å; G281-Y308 VanDerWaalsContact CA-CZ 3.49Å; G281-Y308 PolarHBondContact N-OH 2.64Å; G281-H309 CarbonylContact C-O 3.47Å; G281-H309 WeakPolarHBondContact CA-O 3.44Å
282Q96.4Very high86.1Confident47 Ų4760.6 Ų60.622%0.2232%0.322CS..EExtended strand (participates in β ladder)trans-83.1139.3174.6-170.5-179.111.800109.4Y245 V284 H309Y245-Q282 HydrophobicContact CD1-CB 3.95Å; Y245-Q282 HydrophobicContact CD1-CG 4.33Å; Y245-Q282 HydrophobicContact CE1-CB 3.7Å; Y245-Q282 HydrophobicContact CE1-CG 3.9Å; Y245-Q282 HydrophobicContact CE2-CG 4.47Å; Q282-V284 HydrophobicContact CB-CG2 4.47Å; Q282-V284 HydrophobicContact CG-CG2 4.2Å; Q282-H309 HydrophobicContact CB-CB 4.37Å; Q282-H309 PolarHBondContact N-O 3.01Å; Q282-H309 PolarHBondContact O-N 3.26Å
283W94.8Very high87Confident56 Ų5666.3 Ų66.321%0.21234%0.342CS..EExtended strand (participates in β ladder)trans-85120.6168.2-179.1101.6000108.8Y192 Y244 F246 Q285 A306Y192-W283 AromaticContact CZ-CD1 3.71Å; Y192-W283 WeakPolarHBondContact OH-CA 3.39Å; Y244-W283 HydrophobicContact CD2-CE3 4.14Å; Y244-W283 PolarHBondContact O-N 3.4Å; F246-W283 HydrophobicContact CD2-CB 3.8Å; F246-W283 HydrophobicContact CD2-CG 4.5Å; F246-W283 HydrophobicContact CE2-CB 3.51Å; F246-W283 AromaticContact CE2-CD1 3.87Å; F246-W283 AromaticContact CE2-CG 3.87Å; F246-W283 HydrophobicContact CE2-CG 3.87Å; W283-Q285 HydrophobicContact CH2-CB 3.58Å; W283-Q285 HydrophobicContact CH2-CG 3.88Å; W283-Q285 HydrophobicContact CZ3-CB 3.58Å; W283-Q285 HydrophobicContact CZ3-CG 4.36Å; W283-A306 HydrophobicContact CD2-CB 3.65Å; W283-A306 HydrophobicContact CE3-CB 4.45Å; W283-A306 HydrophobicContact CG-CB 3.86Å; W283-A306 HydrophobicContact CH2-CB 4.39Å; W283-A306 HydrophobicContact CZ2-CB 3.58Å
284V91.7Very high87.6Confident65 Ų6563.2 Ų63.239%0.39433%0.325SS..EExtended strand (participates in β ladder)trans-119.8109.3-177.5-178.40000108Q282 T286 A306 G307 H309Q282-V284 HydrophobicContact CB-CG2 4.47Å; Q282-V284 HydrophobicContact CG-CG2 4.2Å; V284-T286 PolarHBondContact O-N 3.06Å; V284-A306 CarbonylContact O-C 3.47Å; V284-A306 WeakPolarHBondContact O-CA 3.49Å; V284-A306 WeakPolarHBondContact O-CB 3.19Å; V284-G307 PolarHBondContact N-O 3.39Å; V284-G307 PolarHBondContact O-N 3.17Å; V284-H309 HydrophobicContact CG2-CB 4.05Å
285Q88.7Confident87.8Confident38 Ų3865.2 Ų65.218%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-55.5131179.9-172.5168.7-19.900111.1W283 P288 P290W283-Q285 HydrophobicContact CH2-CB 3.58Å; W283-Q285 HydrophobicContact CH2-CG 3.88Å; W283-Q285 HydrophobicContact CZ3-CB 3.58Å; W283-Q285 HydrophobicContact CZ3-CG 4.36Å; Q285-P288 PolarHBondContact NE2-O 2.94Å; Q285-P290 HydrophobicContact CB-CB 4.49Å; Q285-P290 HydrophobicContact CB-CG 4.48Å
286T87.8Confident87.9Confident64 Ų6471.1 Ų71.139%0.39335%0.351SS..EExtended strand (participates in β ladder)trans-113.6-40.217354.90000111.5V284 Q305 A306V284-T286 PolarHBondContact O-N 3.06Å; T286-Q305 PolarHBondContact N-O 2.97Å; T286-Q305 WeakPolarHBondContact OG1-CB 3.21Å; T286-Q305 PolarHBondContact OG1-O 3.31Å; T286-A306 PolarHBondContact OG1-N 3.39Å
287Q85.1Confident87.6Confident100 Ų10069 Ų6947%0.46734%0.343SS..EExtended strand (participates in β ladder)trans-138.6136.9175.9-62.4-172-10.600111P304 Q305Q287-P304 CarbonylContact O-C 3.51Å; Q287-P304 VanDerWaalsContact O-CA 3.3Å; Q287-P304 WeakPolarHBondContact O-CA 3.34Å; Q287-Q305 HydrophobicContact CB-CB 4.02Å; Q287-Q305 HydrophobicContact CB-CG 4.26Å; Q287-Q305 PolarHBondContact N-O 3.17Å; Q287-Q305 PolarHBondContact O-N 3.43Å
288P84.4Confident87.1Confident5 Ų571.9 Ų71.93%0.03235%0.35CS..SBendcis-63.7159.3-5.228.6-34.3000111.8Q285 P290 E297 W298Q285-P288 PolarHBondContact NE2-O 2.94Å; P288-P290 WeakPolarHBondContact O-CD 3.4Å; P288-E297 HydrophobicContact CB-CB 3.67Å; P288-W298 HydrophobicContact CB-CD2 4.42Å; P288-W298 HydrophobicContact CB-CG 4.47Å; P288-W298 HydrophobicContact CG-CD2 3.31Å; P288-W298 VanDerWaalsContact CG-CE2 3.41Å; P288-W298 HydrophobicContact CG-CE3 3.57Å; P288-W298 HydrophobicContact CG-CG 3.76Å; P288-W298 HydrophobicContact CG-CH2 4.07Å; P288-W298 HydrophobicContact CG-CZ2 3.83Å; P288-W298 HydrophobicContact CG-CZ3 3.94Å
289E81.9Confident86.6Confident114 Ų11476.7 Ų76.753%0.53338%0.38SS..  trans-64.5119.4-172.8-81.3-176.8-168.200110.2I291 K292 E297E289-I291 PolarHBondContact O-N 3.42Å; E289-I291 VanDerWaalsContact O-N 3.15Å; E289-K292 HydrophobicContact CB-CB 3.92Å; E289-K292 PolarHBondContact O-N 3.41Å; E289-E297 PolarHBondContact N-OE2 3.17Å
290P77.6Confident86Confident83 Ų8383.3 Ų83.354%0.53942%0.415SS..THydrogen-bonded Turntrans-67.3-23.1-169.524.4-33.1000113.6Q285 P288Q285-P290 HydrophobicContact CB-CB 4.49Å; Q285-P290 HydrophobicContact CB-CG 4.48Å; P288-P290 WeakPolarHBondContact O-CD 3.4Å
291I79.6Confident85.3Confident166 Ų16685 Ų8585%0.85143%0.426SS*.THydrogen-bonded Turntrans-82.8-24.3179.5-56.5174.2000110.9E289 D293E289-I291 PolarHBondContact O-N 3.42Å; E289-I291 VanDerWaalsContact O-N 3.15Å; I291-D293 PolarHBondContact O-N 2.93Å
292K76.8Confident84.4Confident93 Ų9396.6 Ų96.640%0.40447%0.47SS..  trans-91.2107.2-175.5-165.4179170.2-163.50108.4E289 D294 E297E289-K292 HydrophobicContact CB-CB 3.92Å; E289-K292 PolarHBondContact O-N 3.41Å; K292-D294 HydrophobicContact CD-CB 4.46Å; K292-D294 HydrophobicContact CG-CB 4.15Å; K292-D294 IonicContact NZ-OD2 3.81Å; K292-D294 PolarHBondContact O-N 2.87Å; K292-E297 WeakPolarHBondContact CD-OE1 3.48Å; K292-E297 WeakPolarHBondContact CE-OE1 3.26Å; K292-E297 IonicContact NZ-OE1 3.97Å; K292-E297 PolarHBondContact NZ-OE1 3.24Å
293D74.5Confident83.7Confident165 Ų16596.4 Ų96.488%0.88247%0.472SS*.  trans-77.164.1176.7-16719.9000110.7I291I291-D293 PolarHBondContact O-N 2.93Å
294D83.3Confident83.2Confident47 Ų4796.4 Ų96.425%0.25148%0.479SS..  trans-113.2101.1177.3-171.5-9.3000110.2K292 Y296 E297K292-D294 HydrophobicContact CD-CB 4.46Å; K292-D294 HydrophobicContact CG-CB 4.15Å; K292-D294 IonicContact NZ-OD2 3.81Å; K292-D294 PolarHBondContact O-N 2.87Å; D294-Y296 PolarHBondContact O-N 3.49Å; D294-Y296 VanDerWaalsContact O-N 3.14Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.34Å; D294-Y296 WeakPolarHBondContact OD1-CD2 3.43Å; D294-Y296 PolarHBondContact OD1-N 2.88Å; D294-E297 HydrophobicContact CB-CG 4.09Å; D294-E297 PolarHBondContact O-N 3.27Å
295I84Confident83Confident115 Ų11597.2 Ų97.259%0.5948%0.479SS*.Hα-helixtrans-58-27178.7-165.4167000112.7E297 W298 V299I295-E297 VanDerWaalsContact C-N 3.34Å; I295-W298 PolarHBondContact O-N 3.32Å; I295-V299 HydrophobicContact CG1-CG2 4.22Å; I295-V299 VanDerWaalsContact O-CG2 3.3Å; I295-V299 WeakPolarHBondContact O-CG2 3.38Å; I295-V299 PolarHBondContact O-N 2.75Å
296Y85.8Confident83.1Confident167 Ų16795.9 Ų95.966%0.65547%0.474SS*.Hα-helixtrans-69.9-33.8178.6-65.4-73.1000111.7D294 W298 V299 L300D294-Y296 PolarHBondContact O-N 3.49Å; D294-Y296 VanDerWaalsContact O-N 3.14Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.34Å; D294-Y296 WeakPolarHBondContact OD1-CD2 3.43Å; D294-Y296 PolarHBondContact OD1-N 2.88Å; Y296-W298 VanDerWaalsContact C-N 3.31Å; Y296-W298 PolarHBondContact O-N 3.09Å; Y296-V299 PolarHBondContact O-N 2.68Å; Y296-L300 VanDerWaalsContact O-CB 3.23Å; Y296-L300 WeakPolarHBondContact O-CB 3.33Å; Y296-L300 WeakPolarHBondContact O-CG 3.35Å; Y296-L300 PolarHBondContact O-N 2.85Å
297E84.3Confident83.2Confident53 Ų5394.3 Ų94.325%0.24847%0.47CS..Hα-helixtrans-63.1-42.1173.6-67.4-168177.200110.8P288 E289 K292 D294 I295 C301P288-E297 HydrophobicContact CB-CB 3.67Å; E289-E297 PolarHBondContact N-OE2 3.17Å; K292-E297 WeakPolarHBondContact CD-OE1 3.48Å; K292-E297 WeakPolarHBondContact CE-OE1 3.26Å; K292-E297 IonicContact NZ-OE1 3.97Å; K292-E297 PolarHBondContact NZ-OE1 3.24Å; D294-E297 HydrophobicContact CB-CG 4.09Å; D294-E297 PolarHBondContact O-N 3.27Å; I295-E297 VanDerWaalsContact C-N 3.34Å; E297-C301 WeakPolarHBondContact O-CB 3.33Å; E297-C301 PolarHBondContact O-N 3.2Å
298W83.3Confident83.7Confident120 Ų12091.4 Ų91.446%0.45546%0.456SS..Hα-helixtrans-64.7-45.1176-74.993.8000113.1P288 I295 Y296 C301P288-W298 HydrophobicContact CB-CD2 4.42Å; P288-W298 HydrophobicContact CB-CG 4.47Å; P288-W298 HydrophobicContact CG-CD2 3.31Å; P288-W298 VanDerWaalsContact CG-CE2 3.41Å; P288-W298 HydrophobicContact CG-CE3 3.57Å; P288-W298 HydrophobicContact CG-CG 3.76Å; P288-W298 HydrophobicContact CG-CH2 4.07Å; P288-W298 HydrophobicContact CG-CZ2 3.83Å; P288-W298 HydrophobicContact CG-CZ3 3.94Å; I295-W298 PolarHBondContact O-N 3.32Å; Y296-W298 VanDerWaalsContact C-N 3.31Å; Y296-W298 PolarHBondContact O-N 3.09Å; W298-C301 PolarHBondContact O-N 3.07Å
299V85.4Confident84.2Confident110 Ų11096.6 Ų96.667%0.66748%0.479SS*.Hα-helixtrans-68.9-35.1-178.6171.30000111.9I295 Y296I295-V299 HydrophobicContact CG1-CG2 4.22Å; I295-V299 VanDerWaalsContact O-CG2 3.3Å; I295-V299 WeakPolarHBondContact O-CG2 3.38Å; I295-V299 PolarHBondContact O-N 2.75Å; Y296-V299 PolarHBondContact O-N 2.68Å
300L85.9Confident84.8Confident141 Ų14197.2 Ų97.274%0.73848%0.477SS*.Hα-helixtrans-87-13.1179.6-61.9174.1000112.8Y296 W302Y296-L300 VanDerWaalsContact O-CB 3.23Å; Y296-L300 WeakPolarHBondContact O-CB 3.33Å; Y296-L300 WeakPolarHBondContact O-CG 3.35Å; Y296-L300 PolarHBondContact O-N 2.85Å; L300-W302 PolarHBondContact O-N 3.26Å; L300-W302 VanDerWaalsContact O-N 3.08Å
301C83.1Confident85.7Confident35 Ų3595.5 Ų95.524%0.23646%0.462CS..  trans-73.799.2175.9-1720000110.2E297 W298 V303E297-C301 WeakPolarHBondContact O-CB 3.33Å; E297-C301 PolarHBondContact O-N 3.2Å; W298-C301 PolarHBondContact O-N 3.07Å; C301-V303 VanDerWaalsContact C-N 3.32Å; C301-V303 PolarHBondContact O-N 3.18Å; C301-V303 PolarHBondContact SG-O 3.39Å
302W78.4Confident86.5Confident245 Ų24590 Ų9093%0.92844%0.435SS*.SBendtrans-62.3-38.9176.8-176.7-104.1000112.6L300L300-W302 PolarHBondContact O-N 3.26Å; L300-W302 VanDerWaalsContact O-N 3.08Å
303V81.6Confident87.4Confident43 Ų4389 Ų8926%0.26144%0.438SS..SBendtrans-141.9121.1174.2176.60000109.5A194 C301 Q305A194-V303 HydrophobicContact CB-CG1 3.86Å; A194-V303 HydrophobicContact CB-CG2 4.15Å; A194-V303 WeakPolarHBondContact O-CG1 3.39Å; C301-V303 VanDerWaalsContact C-N 3.32Å; C301-V303 PolarHBondContact O-N 3.18Å; C301-V303 PolarHBondContact SG-O 3.39Å; V303-Q305 PolarHBondContact O-N 3.47Å
304P84.8Confident88.4Confident56 Ų5683.5 Ų83.536%0.36441%0.409SS..  trans-59.3136.2173-24.234.1000111.7Q287Q287-P304 CarbonylContact O-C 3.51Å; Q287-P304 VanDerWaalsContact O-CA 3.3Å; Q287-P304 WeakPolarHBondContact O-CA 3.34Å
305Q87.3Confident88.9Confident82 Ų8282.4 Ų82.438%0.38341%0.408SS..EExtended strand (participates in β ladder)trans-99.4148.6174.5-57.9-175.813.800110.2T286 Q287 V303T286-Q305 PolarHBondContact N-O 2.97Å; T286-Q305 WeakPolarHBondContact OG1-CB 3.21Å; T286-Q305 PolarHBondContact OG1-O 3.31Å; Q287-Q305 HydrophobicContact CB-CB 4.02Å; Q287-Q305 HydrophobicContact CB-CG 4.26Å; Q287-Q305 PolarHBondContact N-O 3.17Å; Q287-Q305 PolarHBondContact O-N 3.43Å; V303-Q305 PolarHBondContact O-N 3.47Å
306A89.3Confident89.3Confident9 Ų979.5 Ų79.57%0.07440%0.401CS..EExtended strand (participates in β ladder)trans-152.9151.7175.600000112.1L193 W283 V284 T286L193-A306 HydrophobicContact CD2-CB 4.22Å; W283-A306 HydrophobicContact CD2-CB 3.65Å; W283-A306 HydrophobicContact CE3-CB 4.45Å; W283-A306 HydrophobicContact CG-CB 3.86Å; W283-A306 HydrophobicContact CH2-CB 4.39Å; W283-A306 HydrophobicContact CZ2-CB 3.58Å; V284-A306 CarbonylContact O-C 3.47Å; V284-A306 WeakPolarHBondContact O-CA 3.49Å; V284-A306 WeakPolarHBondContact O-CB 3.19Å; T286-A306 PolarHBondContact OG1-N 3.39Å
307G91.3Very high89.7Confident31 Ų3179.7 Ų79.732%0.3241%0.408SS..EExtended strand (participates in β ladder)trans-81.8144.6166.800000111.3Y192 V284Y192-G307 PolarHBondContact OH-O 2.99Å; V284-G307 PolarHBondContact N-O 3.39Å; V284-G307 PolarHBondContact O-N 3.17Å
308Y94.6Very high90.1Very high40 Ų4081 Ų8116%0.15741%0.414CS..EExtended strand (participates in β ladder)trans-9396.3166.9-174.5-110.5000109.5Y192 L200 F246 C248 S279 I280 G281 R310Y192-Y308 HydrophobicContact CD2-CD2 4.11Å; Y192-Y308 AromaticContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CE2 4.31Å; Y192-Y308 HydrophobicContact CE2-CG 4.32Å; Y192-Y308 AromaticContact CZ-CD2 3.77Å; Y192-Y308 WeakPolarHBondContact OH-CA 3.43Å; L200-Y308 HydrophobicContact CD1-CD1 3.71Å; L200-Y308 HydrophobicContact CD1-CE1 4.47Å; L200-Y308 HydrophobicContact CD1-CG 3.83Å; L200-Y308 HydrophobicContact CD2-CD1 4.32Å; L200-Y308 HydrophobicContact CD2-CE1 4.31Å; F246-Y308 HydrophobicContact CB-CE2 4.28Å; F246-Y308 PolarHBondContact O-OH 2.98Å; C248-Y308 HydrophobicContact CB-CE2 4.21Å; S279-Y308 PolarHBondContact O-OH 2.66Å; S279-Y308 PolarHBondContact OG-OH 2.68Å; I280-Y308 WeakPolarHBondContact CA-OH 3.48Å; G281-Y308 VanDerWaalsContact CA-CE2 3.43Å; G281-Y308 VanDerWaalsContact CA-CZ 3.49Å; G281-Y308 PolarHBondContact N-OH 2.64Å; Y308-R310 HydrophobicContact CD1-CB 4.31Å; Y308-R310 HydrophobicContact CE1-CB 4.06Å; Y308-R310 HydrophobicContact CE1-CG 4.37Å; Y308-R310 PolarHBondContact O-N 3.06Å
309H94.9Very high90.7Very high114 Ų11476.1 Ų76.153%0.52840%0.398SS..EExtended strand (participates in β ladder)trans-82.993.3176.1-173.674.6000109.5G281 Q282 V284 I311G281-H309 CarbonylContact C-O 3.47Å; G281-H309 WeakPolarHBondContact CA-O 3.44Å; Q282-H309 HydrophobicContact CB-CB 4.37Å; Q282-H309 PolarHBondContact N-O 3.01Å; Q282-H309 PolarHBondContact O-N 3.26Å; V284-H309 HydrophobicContact CG2-CB 4.05Å; H309-I311 PolarHBondContact O-N 3.36Å
310R95.6Very high91.2Very high127 Ų12772.9 Ų72.948%0.47938%0.381SS..EExtended strand (participates in β ladder)trans-63.4121.7-179.3-174.1170.566.2-178.81.4111E250 Y308E250-R310 IonicContact OE1-NH1 3.32Å; E250-R310 PolarHBondContact OE1-NH1 3.45Å; E250-R310 VanDerWaalsContact OE1-NH1 3.09Å; Y308-R310 HydrophobicContact CD1-CB 4.31Å; Y308-R310 HydrophobicContact CE1-CB 4.06Å; Y308-R310 HydrophobicContact CE1-CG 4.37Å; Y308-R310 PolarHBondContact O-N 3.06Å
311I96.6Very high91.7Very high47 Ų4766.4 Ų66.424%0.24135%0.347CS..EExtended strand (participates in β ladder)trans-107.8-22.2-179.463.6177.2000112.9Y245 I280 H309 L328 V331Y245-I311 HydrophobicContact CD1-CD1 3.72Å; Y245-I311 HydrophobicContact CE1-CD1 3.7Å; I280-I311 HydrophobicContact CB-CG1 4.33Å; I280-I311 HydrophobicContact CG2-CD1 4.01Å; I280-I311 HydrophobicContact CG2-CG1 4.11Å; I280-I311 VanDerWaalsContact O-CG1 3.31Å; I280-I311 WeakPolarHBondContact O-CG1 3.48Å; I280-I311 PolarHBondContact O-N 3.36Å; H309-I311 PolarHBondContact O-N 3.36Å; I311-L328 HydrophobicContact CD1-CD1 4.04Å; I311-V331 HydrophobicContact CB-CG1 4.43Å; I311-V331 HydrophobicContact CD1-CG1 3.96Å; I311-V331 HydrophobicContact CG1-CG1 4.39Å
312L96.6Very high92.3Very high51 Ų5165.3 Ų65.327%0.26734%0.34SS..EExtended strand (participates in β ladder)trans-151.7130.5-178.7-176.666000111.4S279 I280 L314 C327 V331S279-L312 CarbonylContact C-O 3.58Å; S279-L312 WeakPolarHBondContact CA-O 3.47Å; S279-L312 WeakPolarHBondContact CB-O 3.39Å; I280-L312 HydrophobicContact CB-CB 4.31Å; I280-L312 HydrophobicContact CD1-CD2 4.26Å; I280-L312 PolarHBondContact N-O 3.28Å; I280-L312 PolarHBondContact O-N 2.94Å; I280-L312 VanDerWaalsContact O-N 3.11Å; L312-L314 HydrophobicContact CD2-CD2 3.61Å; L312-L314 HydrophobicContact CD2-CG 4.5Å; L312-L314 HydrophobicContact CG-CD2 3.97Å; L312-C327 HydrophobicContact CD2-CB 3.75Å; L312-V331 HydrophobicContact CB-CG2 4.25Å; L312-V331 HydrophobicContact CD1-CG2 4.47Å; L312-V331 HydrophobicContact CD2-CG2 3.97Å; L312-V331 HydrophobicContact CG-CG2 4.47Å
313C95.6Very high93.1Very high70 Ų7057 Ų5747%0.47332%0.316SS..EExtended strand (participates in β ladder)trans-95.4133.9168.4-61.50000109.8
314L94.9Very high93.9Very high51 Ų5155 Ų5527%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-108.7-15.5-177.2-62.9177.1000113.4L247 W278 I280 L312 P319 C327L247-L314 HydrophobicContact CD1-CD1 3.7Å; W278-L314 HydrophobicContact CB-CB 4.1Å; W278-L314 PolarHBondContact O-N 3.49Å; I280-L314 HydrophobicContact CD1-CD1 4.2Å; I280-L314 HydrophobicContact CG1-CD1 3.98Å; L312-L314 HydrophobicContact CD2-CD2 3.61Å; L312-L314 HydrophobicContact CD2-CG 4.5Å; L312-L314 HydrophobicContact CG-CD2 3.97Å; L314-P319 HydrophobicContact CD1-CB 4.23Å; L314-P319 HydrophobicContact CD1-CG 3.7Å; L314-C327 HydrophobicContact CD2-CB 4.29Å
315G93.3Very high94.5Very high23 Ų2352.3 Ų52.324%0.23729%0.287CS..EExtended strand (participates in β ladder)trans98-156.3178.600000113W278W278-G315 PolarHBondContact N-O 2.99Å
316A92.9Very high94.9Very high55 Ų5552 Ų5246%0.45529%0.288SS..SBendtrans-85.1-24.9-167.900000115.3V275 K276 W278V275-A316 HydrophobicContact CG1-CB 3.85Å; K276-A316 WeakPolarHBondContact O-CA 3.43Å; W278-A316 PolarHBondContact NE1-O 2.89Å
317E93.9Very high95.3Very high170 Ų17053.4 Ų53.479%0.79430%0.296SS*.SBendtrans-86.6138-177.1-63.9-173.4174.700111.5W278 P319W278-E317 VanDerWaalsContact CD1-C 3.42Å; W278-E317 VanDerWaalsContact CD1-O 3.25Å; E317-P319 WeakPolarHBondContact O-CD 3.34Å
318E94.1Very high95.5Very high81 Ų8152 Ų5238%0.37928%0.281SS..PPolyproline II helixtrans-67.2121175-175.7-179.7158.900109.6R185 R203 W278R185-E318 IonicContact CZ-OE1 2.73Å; R185-E318 IonicContact NH1-OE1 3.29Å; R185-E318 IonicContact NH2-OE1 2.72Å; R185-E318 PolarHBondContact NH2-OE1 3.04Å; R203-E318 IonicContact CZ-OE1 2.91Å; R203-E318 IonicContact NE-OE1 3.17Å; R203-E318 PolarHBondContact NE-OE1 3.03Å; R203-E318 IonicContact NE-OE2 2.73Å; R203-E318 IonicContact NH2-OE1 2.82Å; R203-E318 PolarHBondContact NH2-OE1 3.2Å; R203-E318 IonicContact NH2-OE2 3.62Å; W278-E318 HydrophobicContact CD2-CB 4.34Å; W278-E318 HydrophobicContact CD2-CG 4.35Å; W278-E318 HydrophobicContact CE3-CG 4.45Å; W278-E318 HydrophobicContact CH2-CB 4.17Å; W278-E318 HydrophobicContact CH2-CG 3.62Å; W278-E318 HydrophobicContact CZ2-CB 3.49Å; W278-E318 VanDerWaalsContact CZ2-CB 3.49Å; W278-E318 HydrophobicContact CZ2-CG 3.5Å; W278-E318 VanDerWaalsContact CZ2-CG 3.5Å; W278-E318 HydrophobicContact CZ3-CG 4.12Å
319P95.9Very high95.5Very high18 Ų1851.5 Ų51.512%0.11728%0.282CS..PPolyproline II helixtrans-70.1149175.733.1-39.8000111L247 L314 E317 A324L247-P319 HydrophobicContact CD1-CG 3.87Å; L247-P319 HydrophobicContact CD2-CG 3.77Å; L247-P319 HydrophobicContact CG-CG 4.49Å; L314-P319 HydrophobicContact CD1-CB 4.23Å; L314-P319 HydrophobicContact CD1-CG 3.7Å; E317-P319 WeakPolarHBondContact O-CD 3.34Å; P319-A324 HydrophobicContact CB-CB 4.09Å; P319-A324 HydrophobicContact CG-CB 3.89Å
320S95.8Very high95.5Very high42 Ų4247.6 Ų47.629%0.29427%0.273SS..PPolyproline II helixtrans-61.3157.9167.284.20000110.8C322 T323 A324S320-C322 PolarHBondContact O-N 3.01Å; S320-T323 PolarHBondContact O-N 3.43Å; S320-T323 WeakPolarHBondContact OG-CB 3.25Å; S320-T323 PolarHBondContact OG-N 3.49Å; S320-T323 PolarHBondContact OG-OG1 2.95Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.01Å
321A95.4Very high95.4Very high4 Ų442.8 Ų42.83%0.03326%0.258CS..Hα-helixtrans-61.8-35.9179.400000111.8I171 M204 T325I171-A321 HydrophobicContact CD1-CB 3.88Å; M204-A321 HydrophobicContact CE-CB 3.65Å; M204-A321 VanDerWaalsContact SD-CA 3.56Å; M204-A321 HydrophobicContact SD-CB 3.8Å; A321-T325 WeakPolarHBondContact O-CB 3.31Å; A321-T325 PolarHBondContact O-N 3.2Å; A321-T325 VanDerWaalsContact O-N 3.13Å; A321-T325 PolarHBondContact O-OG1 3.5Å
322C95.3Very high95.2Very high12 Ų1241.2 Ų41.28%0.08125%0.25CS..Hα-helixtrans-66.6-50.7174.3-72.10000111.9R115 L133 S320 A324 T325 D326R115-C322 VanDerWaalsContact NH2-CA 3.31Å; R115-C322 PolarHBondContact NH2-O 3.15Å; L133-C322 PolarHBondContact O-SG 3.12Å; S320-C322 PolarHBondContact O-N 3.01Å; C322-A324 PolarHBondContact O-N 3.14Å; C322-T325 PolarHBondContact O-N 3.02Å; C322-D326 PolarHBondContact O-N 3.07Å
323T96.4Very high94.8Very high71 Ų7141.1 Ų41.144%0.43625%0.247SC..Hα-helixtrans-59.3-46179.6-53.50000111.4S320 T325 D326 C327S320-T323 PolarHBondContact O-N 3.43Å; S320-T323 WeakPolarHBondContact OG-CB 3.25Å; S320-T323 PolarHBondContact OG-N 3.49Å; S320-T323 PolarHBondContact OG-OG1 2.95Å; T323-T325 VanDerWaalsContact C-N 3.31Å; T323-T325 PolarHBondContact O-N 3.26Å; T323-D326 PolarHBondContact O-N 3.49Å; T323-C327 WeakPolarHBondContact O-CB 3.42Å; T323-C327 PolarHBondContact O-N 3.2Å; T323-C327 PolarHBondContact O-SG 2.91Å
324A97.6Very high94.2Very high0 Ų041.8 Ų41.80%025%0.253CS..Hα-helixtrans-62.3-39.417900000112M204 W206 L247 I280 P319 S320 C322 C327 L328M204-A324 HydrophobicContact SD-CB 4.13Å; W206-A324 HydrophobicContact CH2-CB 3.84Å; W206-A324 HydrophobicContact CZ2-CB 3.94Å; L247-A324 HydrophobicContact CD2-CB 4.06Å; I280-A324 WeakPolarHBondContact CD1-O 3.19Å; P319-A324 HydrophobicContact CB-CB 4.09Å; P319-A324 HydrophobicContact CG-CB 3.89Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.01Å; C322-A324 PolarHBondContact O-N 3.14Å; A324-C327 PolarHBondContact O-N 3.46Å; A324-L328 PolarHBondContact O-N 2.86Å
325T97.3Very high92.4Very high1 Ų146.5 Ų46.51%0.00627%0.274CS..Hα-helixtrans-66.1-43.3175.6-58.70000111.2L181 I183 W206 A321 C322 T323 C327 L328 V329L181-T325 HydrophobicContact CD2-CG2 3.89Å; I183-T325 HydrophobicContact CD1-CG2 3.88Å; W206-T325 PolarHBondContact NE1-OG1 3.47Å; A321-T325 WeakPolarHBondContact O-CB 3.31Å; A321-T325 PolarHBondContact O-N 3.2Å; A321-T325 VanDerWaalsContact O-N 3.13Å; A321-T325 PolarHBondContact O-OG1 3.5Å; C322-T325 PolarHBondContact O-N 3.02Å; T323-T325 VanDerWaalsContact C-N 3.31Å; T323-T325 PolarHBondContact O-N 3.26Å; T325-C327 VanDerWaalsContact C-N 3.32Å; T325-C327 PolarHBondContact O-N 3.39Å; T325-L328 PolarHBondContact O-N 3.49Å; T325-V329 WeakPolarHBondContact O-CB 3.47Å; T325-V329 WeakPolarHBondContact O-CG2 3.34Å; T325-V329 PolarHBondContact O-N 3.07Å
326D95.8Very high90.4Very high76 Ų7650.6 Ų50.641%0.40629%0.287SS..Hα-helixtrans-64.6-37.7178.1-62.3-21.1000111.2R115 C322 T323 V329 G330R115-D326 IonicContact CZ-OD1 2.64Å; R115-D326 VanDerWaalsContact CZ-OD1 3.29Å; R115-D326 IonicContact NE-OD1 2.63Å; R115-D326 PolarHBondContact NE-OD1 3.42Å; R115-D326 IonicContact NH2-OD1 3.02Å; R115-D326 PolarHBondContact NH2-OD1 2.88Å; R115-D326 IonicContact NH2-OD2 2.68Å; C322-D326 PolarHBondContact O-N 3.07Å; T323-D326 PolarHBondContact O-N 3.49Å; D326-V329 PolarHBondContact O-N 2.96Å; D326-G330 PolarHBondContact O-N 3.31Å
327C96.9Very high87.5Confident38 Ų3852.3 Ų52.326%0.25730%0.295SS..Hα-helixtrans-61.6-48.6172.2-71.20000112.2I280 L312 L314 T323 A324 T325 V329 G330 V331I280-C327 HydrophobicContact CD1-CB 4.04Å; L312-C327 HydrophobicContact CD2-CB 3.75Å; L314-C327 HydrophobicContact CD2-CB 4.29Å; T323-C327 WeakPolarHBondContact O-CB 3.42Å; T323-C327 PolarHBondContact O-N 3.2Å; T323-C327 PolarHBondContact O-SG 2.91Å; A324-C327 PolarHBondContact O-N 3.46Å; T325-C327 VanDerWaalsContact C-N 3.32Å; T325-C327 PolarHBondContact O-N 3.39Å; C327-V329 PolarHBondContact O-N 3Å; C327-G330 PolarHBondContact O-N 3.42Å; C327-V331 WeakPolarHBondContact O-CG2 3.17Å; C327-V331 PolarHBondContact O-N 3.06Å
328L97.1Very high84.8Confident0 Ų049.9 Ų49.90%029%0.294CS..Hα-helixtrans-58.9-48.7177174.265000110.9L181 W206 Y245 I280 I311 A324 T325 G330 V331 L332L181-L328 HydrophobicContact CD1-CD2 4.19Å; W206-L328 HydrophobicContact CB-CD2 3.53Å; W206-L328 HydrophobicContact CD2-CD2 3.45Å; W206-L328 VanDerWaalsContact CD2-CD2 3.45Å; W206-L328 HydrophobicContact CE3-CD2 3.83Å; W206-L328 HydrophobicContact CG-CD2 3.29Å; Y245-L328 HydrophobicContact CD1-CD1 3.75Å; Y245-L328 HydrophobicContact CE1-CD1 4.32Å; Y245-L328 HydrophobicContact CG-CD1 3.92Å; I280-L328 HydrophobicContact CD1-CB 4.18Å; I280-L328 HydrophobicContact CG2-CD1 3.97Å; I311-L328 HydrophobicContact CD1-CD1 4.04Å; A324-L328 PolarHBondContact O-N 2.86Å; T325-L328 PolarHBondContact O-N 3.49Å; L328-G330 VanDerWaalsContact C-N 3.3Å; L328-G330 PolarHBondContact O-N 3.47Å; L328-V331 PolarHBondContact O-N 3.43Å; L328-V331 VanDerWaalsContact O-N 3.11Å; L328-L332 HydrophobicContact CD1-CD1 4Å; L328-L332 HydrophobicContact CD1-CD2 4.35Å; L328-L332 HydrophobicContact CD1-CG 3.96Å; L328-L332 HydrophobicContact CD2-CD1 4.38Å; L328-L332 HydrophobicContact CG-CD1 3.85Å; L328-L332 HydrophobicContact CG-CG 4.21Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.06Å
329V94.6Very high82.2Confident30 Ų3052.2 Ų52.218%0.18231%0.314CS..Hα-helixtrans-56.5-46.5176.7166.70000110.4I176 L181 T325 D326 C327 V331 L332 F333I176-V329 HydrophobicContact CD1-CB 4.17Å; I176-V329 HydrophobicContact CD1-CG1 3.51Å; I176-V329 HydrophobicContact CD1-CG2 3.5Å; L181-V329 HydrophobicContact CD2-CG2 4.02Å; T325-V329 WeakPolarHBondContact O-CB 3.47Å; T325-V329 WeakPolarHBondContact O-CG2 3.34Å; T325-V329 PolarHBondContact O-N 3.07Å; D326-V329 PolarHBondContact O-N 2.96Å; C327-V329 PolarHBondContact O-N 3Å; V329-V331 VanDerWaalsContact C-N 3.29Å; V329-V331 PolarHBondContact O-N 3.46Å; V329-L332 PolarHBondContact O-N 3.35Å; V329-F333 HydrophobicContact CG1-CD2 3.91Å; V329-F333 HydrophobicContact CG1-CE2 4.25Å; V329-F333 VanDerWaalsContact O-CD2 3.27Å; V329-F333 WeakPolarHBondContact O-CD2 3.31Å; V329-F333 PolarHBondContact O-N 3.33Å; V329-F333 VanDerWaalsContact O-N 3.13Å
330G94.1Very high79.4Confident33 Ų3356 Ų5634%0.3435%0.346SS..Hα-helixtrans-53.4-45.9175.400000112.6D326 C327 L328 S334D326-G330 PolarHBondContact O-N 3.31Å; C327-G330 PolarHBondContact O-N 3.42Å; L328-G330 VanDerWaalsContact C-N 3.3Å; L328-G330 PolarHBondContact O-N 3.47Å; G330-S334 WeakPolarHBondContact O-CB 3.28Å; G330-S334 PolarHBondContact O-N 2.92Å; G330-S334 PolarHBondContact O-OG 2.96Å
331V94Very high76.5Confident25 Ų2556.4 Ų56.415%0.15236%0.358CS..Hα-helixtrans-67-44.6178.8177.90000112.1I311 L312 C327 L328 V329 F333 Q335I311-V331 HydrophobicContact CB-CG1 4.43Å; I311-V331 HydrophobicContact CD1-CG1 3.96Å; I311-V331 HydrophobicContact CG1-CG1 4.39Å; L312-V331 HydrophobicContact CB-CG2 4.25Å; L312-V331 HydrophobicContact CD1-CG2 4.47Å; L312-V331 HydrophobicContact CD2-CG2 3.97Å; L312-V331 HydrophobicContact CG-CG2 4.47Å; C327-V331 WeakPolarHBondContact O-CG2 3.17Å; C327-V331 PolarHBondContact O-N 3.06Å; L328-V331 PolarHBondContact O-N 3.43Å; L328-V331 VanDerWaalsContact O-N 3.11Å; V329-V331 VanDerWaalsContact C-N 3.29Å; V329-V331 PolarHBondContact O-N 3.46Å; V331-F333 VanDerWaalsContact C-N 3.32Å; V331-F333 PolarHBondContact O-N 3.47Å; V331-Q335 WeakPolarHBondContact O-CG 3.15Å
332L92.7Very high73.8Confident15 Ų1561.7 Ų61.78%0.07939%0.392CS..Hα-helixtrans-64.9-32.9-176.4-69176.9000113.6V208 Y245 L328 V329 Q336V208-L332 HydrophobicContact CG1-CD1 4.31Å; V208-L332 HydrophobicContact CG2-CD1 3.89Å; Y245-L332 HydrophobicContact CE1-CD2 4.12Å; Y245-L332 HydrophobicContact CE2-CD2 4.22Å; L328-L332 HydrophobicContact CD1-CD1 4Å; L328-L332 HydrophobicContact CD1-CD2 4.35Å; L328-L332 HydrophobicContact CD1-CG 3.96Å; L328-L332 HydrophobicContact CD2-CD1 4.38Å; L328-L332 HydrophobicContact CG-CD1 3.85Å; L328-L332 HydrophobicContact CG-CG 4.21Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.06Å; V329-L332 PolarHBondContact O-N 3.35Å; L332-Q336 PolarHBondContact O-NE2 3.47Å; L332-Q336 VanDerWaalsContact O-NE2 3.11Å
333F87.9Confident71Confident48 Ų4866.5 Ų66.521%0.21143%0.425CS..Hα-helixtrans-105-15.4-175.3-65.4-80.6000114.1I176 V179 V329 V331 Q335I176-F333 HydrophobicContact CB-CE1 4.3Å; I176-F333 HydrophobicContact CB-CE2 3.73Å; I176-F333 HydrophobicContact CB-CZ 3.51Å; I176-F333 HydrophobicContact CD1-CE2 3.93Å; I176-F333 HydrophobicContact CG1-CE2 4.46Å; I176-F333 HydrophobicContact CG2-CD1 4.25Å; I176-F333 HydrophobicContact CG2-CD2 4.01Å; I176-F333 HydrophobicContact CG2-CE1 3.74Å; I176-F333 HydrophobicContact CG2-CE2 3.5Å; I176-F333 HydrophobicContact CG2-CG 4.37Å; I176-F333 HydrophobicContact CG2-CZ 3.35Å; V179-F333 HydrophobicContact CB-CE1 4.4Å; V179-F333 HydrophobicContact CB-CZ 3.87Å; V179-F333 HydrophobicContact CG1-CZ 4.39Å; V179-F333 HydrophobicContact CG2-CE1 3.97Å; V179-F333 HydrophobicContact CG2-CZ 3.91Å; V329-F333 HydrophobicContact CG1-CD2 3.91Å; V329-F333 HydrophobicContact CG1-CE2 4.25Å; V329-F333 VanDerWaalsContact O-CD2 3.27Å; V329-F333 WeakPolarHBondContact O-CD2 3.31Å; V329-F333 PolarHBondContact O-N 3.33Å; V329-F333 VanDerWaalsContact O-N 3.13Å; V331-F333 VanDerWaalsContact C-N 3.32Å; V331-F333 PolarHBondContact O-N 3.47Å; F333-Q335 VanDerWaalsContact C-N 3.32Å
334S82.5Confident68.1Low85 Ų8571.2 Ų71.259%0.59444%0.442SS*.Hα-helixtrans-71.9-28.2171-60.40000112.5G330 Q336G330-S334 WeakPolarHBondContact O-CB 3.28Å; G330-S334 PolarHBondContact O-N 2.92Å; G330-S334 PolarHBondContact O-OG 2.96Å; S334-Q336 PolarHBondContact O-N 3.3Å
335Q57.6Low65.4Low150 Ų15079.8 Ų79.870%0.70148%0.482SS*.THydrogen-bonded Turntrans-76.8-4-179.6-65.7-169.143.100114.3V331 F333V331-Q335 WeakPolarHBondContact O-CG 3.15Å; F333-Q335 VanDerWaalsContact C-N 3.32Å
336Q51.5Low62.8Low109 Ų10985.8 Ų85.851%0.50952%0.519SS..THydrogen-bonded Turntrans-97.318-176.1-66.6179.836.900114.4L332 S334 P338L332-Q336 PolarHBondContact O-NE2 3.47Å; L332-Q336 VanDerWaalsContact O-NE2 3.11Å; S334-Q336 PolarHBondContact O-N 3.3Å; Q336-P338 WeakPolarHBondContact O-CD 3.27Å
337S31.2Very low60.4Low90 Ų9091.7 Ų91.763%0.62956%0.558SS**  trans-97.895.9170.555.30000111.1V339S337-V339 PolarHBondContact O-N 3.13Å; S337-V339 VanDerWaalsContact O-N 3.08Å
338P38.2Very low58.5Low119 Ų11994.4 Ų94.477%0.77357%0.573SS**  trans-69.9105.816227.8-29000107.1Q336 A340Q336-P338 WeakPolarHBondContact O-CD 3.27Å; P338-A340 VanDerWaalsContact C-N 3.32Å; P338-A340 PolarHBondContact O-N 2.92Å
339V37.9Very low56.5Low131 Ų13199.4 Ų99.479%0.79460%0.603SS**  trans-60.9102.9160.4175.80000105.9S337 G341S337-V339 PolarHBondContact O-N 3.13Å; S337-V339 VanDerWaalsContact O-N 3.08Å; V339-G341 VanDerWaalsContact C-N 3.27Å; V339-G341 PolarHBondContact O-N 3.49Å
340A38.3Very low54.4Low96 Ų96103.2 Ų103.279%0.79363%0.627SS**  trans-59.598.8163.300000106.6P338P338-A340 VanDerWaalsContact C-N 3.32Å; P338-A340 PolarHBondContact O-N 2.92Å
341G33.8Very low52.1Low52 Ų52107.4 Ų107.454%0.53664%0.644SS.*  trans-58.5144.5171.400000109.3V339 S343V339-G341 VanDerWaalsContact C-N 3.27Å; V339-G341 PolarHBondContact O-N 3.49Å; G341-S343 PolarHBondContact O-N 3.49Å; G341-S343 VanDerWaalsContact O-N 3.17Å
342P38.5Very low49.4Very low115 Ų115112.5 Ų112.575%0.74767%0.674SS**  trans-62123.7-178.826.5-31.8000108.8H344P342-H344 PolarHBondContact O-N 2.92Å
343S36.9Very low46.6Very low113 Ų113119 Ų11979%0.7971%0.714SS**  trans-57.1107.2166.215.30000108.1G341 E345G341-S343 PolarHBondContact O-N 3.49Å; G341-S343 VanDerWaalsContact O-N 3.17Å; S343-E345 VanDerWaalsContact C-N 3.28Å; S343-E345 PolarHBondContact O-N 3.21Å
344H36.9Very low43.6Very low170 Ų170124.1 Ų124.179%0.78775%0.75SS**  trans-68.391.3163.7-93-85.5000108.2P342 T346P342-H344 PolarHBondContact O-N 2.92Å; H344-T346 PolarHBondContact O-N 3.37Å
345E39.3Very low40.6Very low179 Ų179127.1 Ų127.184%0.83676%0.762SS**  trans-66.2109.3154.6-75.5-174.8159.900107.4S343S343-E345 VanDerWaalsContact C-N 3.28Å; S343-E345 PolarHBondContact O-N 3.21Å
346T43Very low39.2Very low127 Ų127125.2 Ų125.278%0.77977%0.767SS**  trans-98.6112.5165.2-45.70000106.2H344H344-T346 PolarHBondContact O-N 3.37Å
347T45.1Very low38.1Very low201 Ų201126.6 Ų126.6100%1.23379%0.791SS**  trans-870161-53.90000108.9

Retrieved 347 of 347 residues in 59.1 ms (Link to these results)