A0A060YDA3_ONCMY Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A060YDA3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 213 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
1M40.9Very low35.4Very low248 Ų248138.8 Ų138.8100%1.22283%0.834SS**  0117.70-90-178.8166.200107.9
2A39.5Very low35Very low100 Ų100141.9 Ų141.983%0.82683%0.832SS**  trans48.6119.4167.100000118.3
3A32.7Very low34.5Very low89 Ų89135.6 Ų135.674%0.73682%0.816SS**  cis68.9131.522.500000117.3
4L41.4Very low34.2Very low176 Ų176136.4 Ų136.492%0.92181%0.811SS**  trans87.2137.3162.2-54.7160.5000116.5
5G35.2Very low33.9Very low62 Ų62137.4 Ų137.464%0.63981%0.811SS**  cis-160.7150.44.700000109.3
6E35.1Very low33.5Very low181 Ų181133 Ų13385%0.84680%0.804SS**  63.6145.185.8-69.7-156.914900114.5
7V33.8Very low33.3Very low120 Ų120134.4 Ų134.473%0.72781%0.812SS**  cis-174.9152.3-2.6144.70000106.2
8G29.9Very low33.1Very low67 Ų67130.8 Ų130.869%0.69181%0.807SS**  trans110.9154.2139.500000117.6
9S32Very low33Very low109 Ų109133.8 Ų133.876%0.76281%0.81SS**  cis-170.4153.5-12.8-100.10000108.4
10F33.4Very low33Very low189 Ų189134.5 Ų134.583%0.82981%0.814SS**  trans-17.8143.2157.1-68.7-102.1000118.6
11L35.3Very low32.8Very low186 Ų186130.6 Ų130.697%0.97480%0.802SS**  trans-137.3141.2134.9-83.4177.1000111
12H30.5Very low32.4Very low176 Ų176124.2 Ų124.282%0.81578%0.782SS**  trans-128.1151.2-173.7-155.1100.4000107.5
13G28.2Very low32.2Very low60 Ų60127.8 Ų127.862%0.61978%0.781SS**  trans99.4155.5159.500000116.7
14I30.8Very low32.1Very low147 Ų147133.4 Ų133.475%0.75479%0.789SS**  cis-170.9154.9-11.835.8161.3000106.6
15D29.3Very low31.6Very low151 Ų151132 Ų13281%0.80778%0.782SS**  trans58.2125.6150.2-57.8-26.3000123.9
16G27.5Very low31.4Very low67 Ų67137.4 Ų137.469%0.69180%0.795SS**  129.2106111.300000121
17V30.8Very low31.3Very low157 Ų157135.3 Ų135.395%0.95280%0.795SS**  trans91128.6133.3-168.10000121.8
18G28.6Very low31.2Very low70 Ų70134.5 Ų134.572%0.72280%0.795SS**  trans133.285.6154.600000113
19H31.8Very low31.3Very low187 Ų187139.6 Ų139.687%0.86681%0.805SS**  6582.565.6-130.298.3000115.8
20V33Very low31.3Very low147 Ų147137.4 Ų137.489%0.89180%0.799SS**  trans-157.8119.3145.2-169.70000104.8
21G28.1Very low31.2Very low54 Ų54137.8 Ų137.856%0.55780%0.804SS**  cis109.387.230.500000108.2
22S34.4Very low31.3Very low113 Ų113134.4 Ų134.479%0.7980%0.796SS**  trans-173.988.8149.1-82.30000110
23H33.6Very low31.8Very low175 Ų175132.3 Ų132.381%0.8180%0.798SS**  trans-64.8125.6156.9-68.3-96.5000108.2
24F30.9Very low32Very low207 Ų207133.5 Ų133.591%0.90880%0.802SS**  trans-99.3112.6154.7-104-89.5000107.9
25L32.1Very low32.2Very low148 Ų148132.4 Ų132.478%0.77580%0.802SS**  trans-70.7139.7-177.5-71.9160.1000110.8
26L30.9Very low32.3Very low174 Ų174133.5 Ų133.591%0.91181%0.807SS**  trans-60.4136.3155.5-97.1133.3000109.8
27T31.5Very low32.6Very low137 Ų137138 Ų13884%0.8481%0.814SS**  trans-139130.4154.7-140000109.2
28S32Very low32.5Very low104 Ų104133.8 Ų133.873%0.72780%0.803SS**  trans-91.1138.7176.5167.50000109.8
29L32.3Very low32.6Very low174 Ų174140.3 Ų140.391%0.91182%0.815SS**  trans-178.6115.4152-100.5134.4000103.6
30G31.4Very low32.7Very low62 Ų62134.7 Ų134.764%0.63981%0.807SS**  111.1126.852.500000106.8
31E31.6Very low32.6Very low198 Ų198137.1 Ų137.193%0.92581%0.809SS**  trans95.4102.7167.6-55.2-171.8152.100118.7
32S38.8Very low32.8Very low115 Ų115142.7 Ų142.780%0.80482%0.82SS**  trans-67.1161.9146.4-53.20000110.2
33P40.2Very low32.8Very low131 Ų131144.5 Ų144.585%0.85182%0.82SS**  -134.7162.4114.425.7-8.4000114.7
34A33Very low33.4Very low86 Ų86142.1 Ų142.171%0.71182%0.817SS**  trans-55.9147.9-175.300000116.5
35V34.3Very low34Very low123 Ų123137.8 Ų137.875%0.74581%0.81SS**  34.3115.7123.6-166.80000116.9
36L31.7Very low34.8Very low174 Ų174134 Ų13491%0.91181%0.806SS**  trans-139.1107.9148.2-127.1141.8000109.5
37L32.6Very low35.6Very low161 Ų161129.6 Ų129.684%0.84380%0.796SS**  trans-66.4136168.3-74.8162.7000109.4
38G28.8Very low36.1Very low70 Ų70126 Ų12672%0.72279%0.786SS**  trans-156.3100.4170.600000110.4
39Q31.1Very low36.8Very low207 Ų207129.3 Ų129.397%0.96779%0.79SS**  trans-19.3131.8158.6-60.3152.9-900112.6
40G34Very low37.7Very low69 Ų69125.5 Ų125.571%0.71178%0.777SS**  cis118.6102.427.900000106.6
41E30.5Very low38.6Very low198 Ų198129 Ų12993%0.92578%0.78SS**  trans-153.2123.7159.7-74.8-149.812800112
42H32.7Very low39.8Very low171 Ų171122.8 Ų122.879%0.79276%0.759SS**  trans63.6102.2139.5-146.9-100.4000120.8V44H42-V44 PolarHBondContact O-N 3.47Å
43L34Very low40.7Very low151 Ų151126.8 Ų126.879%0.79176%0.757SS**  trans-51.8126.5162.3-78.6126.1000112.6
44V46.3Very low41.8Very low125 Ų125123.7 Ų123.776%0.75874%0.738SS**  trans-127.298.5148.1-178.10000107.5H42H42-V44 PolarHBondContact O-N 3.47Å
45P44.9Very low43.4Very low115 Ų115122 Ų12275%0.74772%0.724SS**  trans-92.7105.5169.730.2-19.4000108.3
46G48.2Very low45.1Very low68 Ų68120.1 Ų120.170%0.70171%0.713SS**  trans160.182.4169.600000114.7
47A47.2Very low46.9Very low83 Ų83114.2 Ų114.269%0.68669%0.689SS**SBendtrans-179.1-16.4155.100000113.6
48G43.6Very low48.8Very low61 Ų61110.3 Ų110.363%0.62967%0.669SS**Hα-helixtrans-86.9-18.2-171.300000116.8
49E46.5Very low50.9Low174 Ų174111.8 Ų111.881%0.81366%0.66SS**Hα-helixtrans-91.3-17.1-170.3-67.1-177.6122.800114S52E49-S52 PolarHBondContact O-OG 3.36Å
50S50.4Low53Low93 Ų93106.4 Ų106.465%0.6564%0.642SS**Hα-helixtrans-81.6-41-177.21620000112.9S54S50-S54 PolarHBondContact O-N 3.45Å
51L50.6Low54.9Low135 Ų135106.9 Ų106.971%0.70763%0.627SS**Hα-helixtrans-71.4-36.3-175.9-69.8165.5000112.5A55L51-A55 PolarHBondContact O-N 3.28Å
52S56.4Low57Low69 Ų69101.6 Ų101.648%0.48361%0.605SS.*Hα-helixtrans-70.9-39.6179.9620000112.1E49 A55 T56E49-S52 PolarHBondContact O-OG 3.36Å; S52-A55 PolarHBondContact O-N 3.02Å; S52-T56 WeakPolarHBondContact O-CG2 3.46Å; S52-T56 PolarHBondContact O-N 2.86Å; S52-T56 PolarHBondContact O-OG1 3.46Å
53R57.3Low59.1Low199 Ų19999.5 Ų99.575%0.75159%0.594SS**Hα-helixtrans-66.5-39.9178.6-161.2174.3-178.8-166.7-0.5111.8T56 A57R53-T56 PolarHBondContact O-OG1 3.31Å; R53-A57 WeakPolarHBondContact O-CB 3.32Å; R53-A57 PolarHBondContact O-N 2.69Å
54S63.7Low61.1Low65 Ų6592.7 Ų92.746%0.45556%0.56SS.*Hα-helixtrans-62.2-51.4174.4-165.70000111.5S50 T56 A57 D58S50-S54 PolarHBondContact O-N 3.45Å; S54-T56 VanDerWaalsContact C-N 3.29Å; S54-T56 PolarHBondContact O-N 3.25Å; S54-A57 WeakPolarHBondContact O-CB 3.43Å; S54-A57 PolarHBondContact O-N 3.33Å; S54-A57 VanDerWaalsContact O-N 3.08Å; S54-D58 WeakPolarHBondContact O-CB 3.33Å; S54-D58 PolarHBondContact O-N 3.19Å; S54-D58 VanDerWaalsContact O-OD2 3.09Å; S54-D58 PolarHBondContact OG-OD2 2.94Å
55A67.4Low62.6Low50 Ų5088.1 Ų88.141%0.41353%0.531SS..Hα-helixtrans-60.8-37.4-179.100000112.7L51 S52 L59L51-A55 PolarHBondContact O-N 3.28Å; S52-A55 PolarHBondContact O-N 3.02Å; A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 VanDerWaalsContact O-CG 3.26Å; A55-L59 WeakPolarHBondContact O-CG 3.42Å; A55-L59 PolarHBondContact O-N 3.4Å
56T70Confident64.3Low84 Ų8488.8 Ų88.852%0.51553%0.527SS..Hα-helixtrans-67.7-40.8174.858.90000112.7S52 R53 S54 L59 T60S52-T56 WeakPolarHBondContact O-CG2 3.46Å; S52-T56 PolarHBondContact O-N 2.86Å; S52-T56 PolarHBondContact O-OG1 3.46Å; R53-T56 PolarHBondContact O-OG1 3.31Å; S54-T56 VanDerWaalsContact C-N 3.29Å; S54-T56 PolarHBondContact O-N 3.25Å; T56-L59 PolarHBondContact O-N 3.05Å; T56-T60 WeakPolarHBondContact O-CG2 2.96Å; T56-T60 PolarHBondContact O-N 3.26Å; T56-T60 PolarHBondContact O-OG1 3.06Å
57A69.4Low66.3Low50 Ų5091.1 Ų91.141%0.41352%0.515SS..Hα-helixtrans-64-44.3175.900000111.2R53 S54 L59 T60 L61R53-A57 WeakPolarHBondContact O-CB 3.32Å; R53-A57 PolarHBondContact O-N 2.69Å; S54-A57 WeakPolarHBondContact O-CB 3.43Å; S54-A57 PolarHBondContact O-N 3.33Å; S54-A57 VanDerWaalsContact O-N 3.08Å; A57-L59 PolarHBondContact O-N 3.44Å; A57-T60 WeakPolarHBondContact CA-OG1 3.38Å; A57-T60 PolarHBondContact O-N 3.21Å; A57-T60 VanDerWaalsContact O-N 3.15Å; A57-T60 PolarHBondContact O-OG1 3.1Å; A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 PolarHBondContact O-N 2.99Å
58D71.4Confident68.7Low80 Ų8088.1 Ų88.143%0.42849%0.486SS..Hα-helixtrans-61.5-43.3176.8-66.1-32.4000111.4S54 T60 L61 L62S54-D58 WeakPolarHBondContact O-CB 3.33Å; S54-D58 PolarHBondContact O-N 3.19Å; S54-D58 VanDerWaalsContact O-OD2 3.09Å; S54-D58 PolarHBondContact OG-OD2 2.94Å; D58-T60 PolarHBondContact O-N 2.98Å; D58-L61 PolarHBondContact O-N 3.42Å; D58-L62 WeakPolarHBondContact O-CB 3.33Å; D58-L62 WeakPolarHBondContact O-CG 3.36Å; D58-L62 PolarHBondContact O-N 3.24Å
59L73.9Confident71.2Confident100 Ų10089.4 Ų89.452%0.52447%0.472SS..Hα-helixtrans-65.3-36.6174.7-72.9176.4000112.9A55 T56 A57 K63A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 VanDerWaalsContact O-CG 3.26Å; A55-L59 WeakPolarHBondContact O-CG 3.42Å; A55-L59 PolarHBondContact O-N 3.4Å; T56-L59 PolarHBondContact O-N 3.05Å; A57-L59 PolarHBondContact O-N 3.44Å; L59-K63 WeakPolarHBondContact O-CB 3.49Å; L59-K63 VanDerWaalsContact O-CG 3.23Å; L59-K63 WeakPolarHBondContact O-CG 3.26Å; L59-K63 PolarHBondContact O-N 2.85Å
60T74.8Confident73.7Confident95 Ų9581.1 Ų81.158%0.58343%0.433SS*.Hα-helixtrans-68.2-40.217554.60000112T56 A57 D58 K63 G64T56-T60 WeakPolarHBondContact O-CG2 2.96Å; T56-T60 PolarHBondContact O-N 3.26Å; T56-T60 PolarHBondContact O-OG1 3.06Å; A57-T60 WeakPolarHBondContact CA-OG1 3.38Å; A57-T60 PolarHBondContact O-N 3.21Å; A57-T60 VanDerWaalsContact O-N 3.15Å; A57-T60 PolarHBondContact O-OG1 3.1Å; D58-T60 PolarHBondContact O-N 2.98Å; T60-K63 PolarHBondContact O-N 3.25Å; T60-G64 PolarHBondContact O-N 2.98Å
61L75.1Confident76Confident78 Ų7876.7 Ų76.741%0.40840%0.402SS..Hα-helixtrans-63.5-48.3175.7179.161.9000111.1A57 D58 K63 G64 I65 I209A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 PolarHBondContact O-N 2.99Å; D58-L61 PolarHBondContact O-N 3.42Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 2.89Å; L61-G64 PolarHBondContact O-N 3.05Å; L61-G64 VanDerWaalsContact O-N 3.08Å; L61-I65 HydrophobicContact CG-CD1 4.18Å; L61-I65 VanDerWaalsContact O-CG1 3.32Å; L61-I65 WeakPolarHBondContact O-CG1 3.39Å; L61-I65 PolarHBondContact O-N 3.08Å; L61-I209 HydrophobicContact CD1-CD1 4.43Å; L61-I209 HydrophobicContact CD1-CG1 4.39Å; L61-I209 HydrophobicContact CD2-CG1 3.86Å; L61-I209 HydrophobicContact CG-CG1 4.18Å
62L74.6Confident78.3Confident88 Ų8873.4 Ų73.446%0.46138%0.381SS..Hα-helixtrans-58.7-42.1175.6-71.7170.4000111.9D58 G64 I65 L66D58-L62 WeakPolarHBondContact O-CB 3.33Å; D58-L62 WeakPolarHBondContact O-CG 3.36Å; D58-L62 PolarHBondContact O-N 3.24Å; L62-G64 VanDerWaalsContact C-N 3.33Å; L62-G64 PolarHBondContact O-N 3Å; L62-I65 HydrophobicContact CD2-CD1 4.44Å; L62-I65 PolarHBondContact O-N 2.99Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-L66 VanDerWaalsContact O-N 3.09Å
63K76.8Confident80.3Confident127 Ų12770.1 Ų70.155%0.55236%0.358SS*.Hα-helixtrans-62.7-38.3174.4-77.3172.3-178.71780112.5L59 T60 L61 R67L59-K63 WeakPolarHBondContact O-CB 3.49Å; L59-K63 VanDerWaalsContact O-CG 3.23Å; L59-K63 WeakPolarHBondContact O-CG 3.26Å; L59-K63 PolarHBondContact O-N 2.85Å; T60-K63 PolarHBondContact O-N 3.25Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 2.89Å; K63-R67 WeakPolarHBondContact O-CD 3.38Å; K63-R67 VanDerWaalsContact O-CG 3.31Å; K63-R67 WeakPolarHBondContact O-CG 3.5Å
64G74.9Confident82.2Confident8 Ų866.6 Ų66.68%0.08235%0.345CS..Hα-helixtrans-63.6-44.8174.300000112.2T60 L61 L62 L66 R67 R68 E101T60-G64 PolarHBondContact O-N 2.98Å; L61-G64 PolarHBondContact O-N 3.05Å; L61-G64 VanDerWaalsContact O-N 3.08Å; L62-G64 VanDerWaalsContact C-N 3.33Å; L62-G64 PolarHBondContact O-N 3Å; G64-L66 PolarHBondContact O-N 2.91Å; G64-R67 CarbonylContact O-C 3.51Å; G64-R67 WeakPolarHBondContact O-CA 3.44Å; G64-R67 WeakPolarHBondContact O-CB 3.18Å; G64-R67 PolarHBondContact O-N 3.4Å; G64-R68 PolarHBondContact O-N 2.85Å; G64-E101 WeakPolarHBondContact CA-OE1 3.49Å
65I76.8Confident83.9Confident28 Ų2864.8 Ų64.814%0.14433%0.331CS..Hα-helixtrans-59.9-45.6178.6-67.2161.7000112.2L61 L62 R67 R68 Y206 I209L61-I65 HydrophobicContact CG-CD1 4.18Å; L61-I65 VanDerWaalsContact O-CG1 3.32Å; L61-I65 WeakPolarHBondContact O-CG1 3.39Å; L61-I65 PolarHBondContact O-N 3.08Å; L62-I65 HydrophobicContact CD2-CD1 4.44Å; L62-I65 PolarHBondContact O-N 2.99Å; I65-R67 PolarHBondContact O-N 3.47Å; I65-R68 WeakPolarHBondContact O-CB 3.35Å; I65-R68 PolarHBondContact O-N 3.45Å; I65-Y206 HydrophobicContact CG2-CD1 4.33Å; I65-Y206 HydrophobicContact CG2-CE1 3.67Å; I65-I209 HydrophobicContact CD1-CB 4.16Å; I65-I209 HydrophobicContact CD1-CD1 3.3Å; I65-I209 HydrophobicContact CD1-CG1 3.62Å; I65-I209 HydrophobicContact CD1-CG2 3.67Å; I65-I209 HydrophobicContact CG1-CD1 3.82Å
66L82.7Confident85.4Confident129 Ų12963 Ų6368%0.67532%0.317SS*.THydrogen-bonded Turntrans-62.6-14.6178.3-67.6173.7000112.9L62 G64 R69L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-L66 VanDerWaalsContact O-N 3.09Å; G64-L66 PolarHBondContact O-N 2.91Å; L66-R69 PolarHBondContact O-NH1 2.85Å; L66-R69 PolarHBondContact O-NH2 3.34Å
67R89.7Confident86.8Confident118 Ų11859.5 Ų59.545%0.44530%0.295SS..THydrogen-bonded Turntrans-103.77.6177.8-63.7173.9177.4-173.3-3.7113.3K63 G64 I65 F102K63-R67 WeakPolarHBondContact O-CD 3.38Å; K63-R67 VanDerWaalsContact O-CG 3.31Å; K63-R67 WeakPolarHBondContact O-CG 3.5Å; G64-R67 CarbonylContact O-C 3.51Å; G64-R67 WeakPolarHBondContact O-CA 3.44Å; G64-R67 WeakPolarHBondContact O-CB 3.18Å; G64-R67 PolarHBondContact O-N 3.4Å; I65-R67 PolarHBondContact O-N 3.47Å; R67-F102 HydrophobicContact CB-CB 4.48Å; R67-F102 WeakPolarHBondContact CB-O 3.33Å; R67-F102 WeakPolarHBondContact CD-O 3.46Å; R67-F102 PolarHBondContact O-N 2.87Å
68R96.1Very high88.2Confident20 Ų2057.4 Ų57.48%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-70.8128.5172-69176.9179.9-174.6-2.3110.7G64 I65 I99 L100 V115 V197 L205 Y206G64-R68 PolarHBondContact O-N 2.85Å; I65-R68 WeakPolarHBondContact O-CB 3.35Å; I65-R68 PolarHBondContact O-N 3.45Å; R68-I99 HydrophobicContact CB-CG2 4.43Å; R68-L100 CarbonylContact C-O 3.6Å; R68-L100 VanDerWaalsContact CA-O 3.24Å; R68-L100 WeakPolarHBondContact CA-O 3.23Å; R68-V115 HydrophobicContact CG-CG2 4.04Å; R68-V197 HydrophobicContact CB-CG2 4.3Å; R68-L205 PolarHBondContact NH1-O 3.45Å; R68-L205 PolarHBondContact NH2-O 3.12Å; R68-Y206 VanDerWaalsContact CD-OH 3.25Å; R68-Y206 WeakPolarHBondContact CD-OH 3.4Å; R68-Y206 VanDerWaalsContact NH1-CZ 3.3Å
69R97.8Very high89.5Confident88 Ų8853.6 Ų53.633%0.33226%0.256SS..EExtended strand (participates in β ladder)trans-139.4161.1-178.4-63-64.2-179.8-82.1-2.9109.4L66 L100 F102 P194 R195L66-R69 PolarHBondContact O-NH1 2.85Å; L66-R69 PolarHBondContact O-NH2 3.34Å; R69-L100 PolarHBondContact N-O 2.69Å; R69-L100 PolarHBondContact O-N 3.5Å; R69-L100 VanDerWaalsContact O-O 3.13Å; R69-F102 HydrophobicContact CB-CD2 4.07Å; R69-F102 HydrophobicContact CB-CE2 3.93Å; R69-F102 HydrophobicContact CG-CD2 4.27Å; R69-F102 HydrophobicContact CG-CE2 4.47Å; R69-P194 HydrophobicContact CG-CB 4.38Å; R69-R195 CarbonylContact C-O 3.54Å; R69-R195 VanDerWaalsContact CA-O 3.28Å; R69-R195 WeakPolarHBondContact CA-O 3.23Å; R69-R195 WeakPolarHBondContact CD-O 3.24Å
70Q98.7Very high90.7Very high0 Ų049.2 Ų49.20%023%0.233CC..EExtended strand (participates in β ladder)trans-102.7144.2159.3-44.9173.663.400108.1H78 H94 I99 R195 P196 V197Q70-H78 PolarHBondContact OE1-CD2 3.13Å; Q70-H78 PolarHBondContact OE1-NE2 2.99Å; Q70-H94 PolarHBondContact NE2-CE1 2.68Å; Q70-H94 PolarHBondContact NE2-ND1 3.15Å; Q70-H94 PolarHBondContact NE2-NE2 3.32Å; Q70-I99 HydrophobicContact CG-CD1 3.88Å; Q70-R195 HydrophobicContact CB-CB 4.36Å; Q70-R195 PolarHBondContact N-O 2.91Å; Q70-R195 PolarHBondContact O-N 2.9Å; Q70-P196 PolarHBondContact NE2-O 3.01Å; Q70-P196 VanDerWaalsContact NE2-O 3.12Å; Q70-V197 HydrophobicContact CG-CG2 3.94Å
71L98.4Very high91.8Very high0 Ų044.7 Ų44.70%021%0.205CC..EExtended strand (participates in β ladder)trans-107.993.8-177.4-160.359.6000111C73 H78 L79 L100 F102 I112 Y153 F192 P194L71-C73 PolarHBondContact O-N 3.46Å; L71-H78 WeakPolarHBondContact O-CA 3.34Å; L71-L79 HydrophobicContact CB-CB 4.34Å; L71-L79 PolarHBondContact O-N 2.85Å; L71-L100 HydrophobicContact CB-CD1 3.76Å; L71-F102 HydrophobicContact CD1-CZ 3.79Å; L71-F102 HydrophobicContact CD2-CZ 4.34Å; L71-I112 HydrophobicContact CD2-CD1 4.02Å; L71-Y153 HydrophobicContact CD1-CE2 3.74Å; L71-Y153 HydrophobicContact CD2-CD2 4.19Å; L71-Y153 HydrophobicContact CD2-CE2 3.91Å; L71-Y153 HydrophobicContact CG-CE2 4.29Å; L71-F192 HydrophobicContact CD1-CB 3.78Å; L71-F192 HydrophobicContact CD2-CB 4.33Å; L71-F192 HydrophobicContact CD2-CD1 4.09Å; L71-F192 HydrophobicContact CD2-CG 4.27Å; L71-F192 HydrophobicContact CG-CB 3.78Å; L71-F192 HydrophobicContact CG-CD1 3.7Å; L71-F192 HydrophobicContact CG-CG 4Å; L71-P194 HydrophobicContact CD1-CG 4.21Å
72Y98.6Very high92.9Very high65 Ų6542.7 Ų42.726%0.25519%0.194SC..EExtended strand (participates in β ladder)trans-86.9109.6-174.7176-101.1000111.7G76 F77 H78 F192 L193Y72-G76 WeakPolarHBondContact OH-CA 3.22Å; Y72-F77 CarbonylContact C-O 3.55Å; Y72-H78 AromaticContact CD2-CE1 3.91Å; Y72-F192 CarbonylContact O-C 3.57Å; Y72-F192 VanDerWaalsContact O-CA 3.32Å; Y72-F192 WeakPolarHBondContact O-CA 3.47Å; Y72-L193 HydrophobicContact CD1-CB 4.41Å; Y72-L193 PolarHBondContact N-O 3.08Å; Y72-L193 PolarHBondContact O-N 2.84Å
73C98.7Very high94.1Very high0 Ų042.3 Ų42.30%020%0.197CC..EExtended strand (participates in β ladder)trans-68.7142.5172.1-166.40000111.2L71 T75 G76 F77 L171 F189 H191 F192L71-C73 PolarHBondContact O-N 3.46Å; C73-T75 PolarHBondContact O-N 3.37Å; C73-T75 PolarHBondContact SG-OG1 3.39Å; C73-G76 PolarHBondContact O-N 3.02Å; C73-F77 WeakPolarHBondContact CB-O 3.36Å; C73-F77 PolarHBondContact N-O 2.99Å; C73-L171 HydrophobicContact CB-CB 4.24Å; C73-L171 HydrophobicContact CB-CD1 4.01Å; C73-L171 HydrophobicContact CB-CG 4.46Å; C73-F189 PolarHBondContact SG-O 3.42Å; C73-H191 CarbonylContact C-O 3.54Å; C73-H191 WeakPolarHBondContact CA-O 3.48Å; C73-F192 HydrophobicContact CB-CD1 3.69Å; C73-F192 HydrophobicContact CB-CE1 3.44Å; C73-F192 VanDerWaalsContact CB-CE1 3.44Å; C73-F192 HydrophobicContact CB-CG 4.5Å; C73-F192 HydrophobicContact CB-CZ 4.02Å
74R97.9Very high95.1Very high126 Ų12639.8 Ų39.848%0.47521%0.207SC..THydrogen-bonded Turntrans-59.6-15.3175.5-167.968.1-179.9177.2-2.3113.4G76 Y150 K188 H191R74-G76 PolarHBondContact O-N 2.72Å; R74-Y150 HydrophobicContact CB-CD1 4.39Å; R74-Y150 HydrophobicContact CB-CE1 3.88Å; R74-Y150 WeakPolarHBondContact CD-OH 3.3Å; R74-Y150 HydrophobicContact CG-CE1 4.4Å; R74-Y150 VanDerWaalsContact NH1-CE2 3.28Å; R74-Y150 PolarHBondContact NH1-OH 2.81Å; R74-K188 HydrophobicContact CB-CB 4.37Å; R74-K188 WeakPolarHBondContact CB-O 3.27Å; R74-K188 HydrophobicContact CG-CB 4.17Å; R74-K188 HydrophobicContact CG-CG 4.41Å; R74-H191 HydrophobicContact CB-CB 3.93Å; R74-H191 PolarHBondContact N-O 2.76Å
75T98.3Very high96.2Very high27 Ų2740 Ų4017%0.16621%0.21CC..THydrogen-bonded Turntrans-74-7.7172.154.60000114.1C73 L171 N172 K173 F189C73-T75 PolarHBondContact O-N 3.37Å; C73-T75 PolarHBondContact SG-OG1 3.39Å; T75-L171 WeakPolarHBondContact CG2-O 3.34Å; T75-L171 PolarHBondContact OG1-O 3.5Å; T75-N172 PolarHBondContact OG1-O 2.78Å; T75-K173 HydrophobicContact CG2-CG 4.33Å; T75-F189 HydrophobicContact CG2-CB 3.82Å
76G98.5Very high97.3Very high11 Ų1142.6 Ų42.611%0.11323%0.227CC..THydrogen-bonded Turntrans101.622.9174.900000114.9Y72 C73 R74 R91Y72-G76 WeakPolarHBondContact OH-CA 3.22Å; C73-G76 PolarHBondContact O-N 3.02Å; R74-G76 PolarHBondContact O-N 2.72Å; G76-R91 PolarHBondContact O-NH1 3.39Å
77F98.9Very high98Very high12 Ų1236.9 Ų36.95%0.05320%0.197CC..EExtended strand (participates in β ladder)trans-133.6143.1-176.1-61.2-97000111.2Y72 C73 T90 R91 L171 K173 D174Y72-F77 CarbonylContact C-O 3.55Å; C73-F77 WeakPolarHBondContact CB-O 3.36Å; C73-F77 PolarHBondContact N-O 2.99Å; F77-T90 CarbonylContact C-O 3.59Å; F77-T90 VanDerWaalsContact CA-O 3.23Å; F77-T90 WeakPolarHBondContact CA-O 3.35Å; F77-R91 HydrophobicContact CD1-CG 3.82Å; F77-R91 HydrophobicContact CE1-CG 3.69Å; F77-R91 HydrophobicContact CZ-CG 4.32Å; F77-L171 HydrophobicContact CB-CD1 4.07Å; F77-K173 VanDerWaalsContact CE2-O 3.22Å; F77-K173 WeakPolarHBondContact CE2-O 3.41Å; F77-K173 WeakPolarHBondContact CZ-O 3.37Å; F77-D174 VanDerWaalsContact CZ-C 3.48Å
78H98.9Very high98.5Very high6 Ų634.6 Ų34.63%0.02819%0.192CC..EExtended strand (participates in β ladder)trans-87.4134.3167-57.282.8000109.8Q70 L71 Y72 G89 T90 D93 R195Q70-H78 PolarHBondContact OE1-CD2 3.13Å; Q70-H78 PolarHBondContact OE1-NE2 2.99Å; L71-H78 WeakPolarHBondContact O-CA 3.34Å; Y72-H78 AromaticContact CD2-CE1 3.91Å; H78-G89 CarbonylContact O-C 3.53Å; H78-G89 VanDerWaalsContact O-CA 3.27Å; H78-G89 WeakPolarHBondContact O-CA 3.45Å; H78-T90 HydrophobicContact CB-CG2 4.25Å; H78-T90 PolarHBondContact N-O 3.35Å; H78-T90 PolarHBondContact O-N 3.34Å; H78-D93 IonicContact CE1-OD1 3.61Å; H78-D93 IonicContact NE2-OD1 3.06Å; H78-D93 PolarHBondContact NE2-OD1 2.49Å; H78-R195 PolarHBondContact CE1-NH1 3.27Å; H78-R195 PolarHBondContact NE2-NH1 2.81Å
79L98.9Very high98.6Very high0 Ų034.3 Ų34.30%020%0.195CC..EExtended strand (participates in β ladder)trans-68.4132.4175.9-174.4139.9000110.6L71 I81 V87 Q88 G98 L100 L121 V169 L171 F192L71-L79 HydrophobicContact CB-CB 4.34Å; L71-L79 PolarHBondContact O-N 2.85Å; L79-I81 HydrophobicContact CD2-CD1 4.44Å; L79-I81 HydrophobicContact CD2-CG1 3.93Å; L79-V87 HydrophobicContact CD1-CG1 4.04Å; L79-V87 HydrophobicContact CD2-CG1 4.33Å; L79-V87 HydrophobicContact CG-CG1 4.06Å; L79-Q88 CarbonylContact C-O 3.45Å; L79-Q88 WeakPolarHBondContact CA-O 3.45Å; L79-G98 WeakPolarHBondContact O-CA 3.23Å; L79-L100 HydrophobicContact CD2-CD1 3.89Å; L79-L121 HydrophobicContact CD1-CD2 4.38Å; L79-L121 HydrophobicContact CD2-CD2 4.43Å; L79-V169 HydrophobicContact CD1-CG1 3.89Å; L79-L171 HydrophobicContact CB-CD1 4.22Å; L79-F192 HydrophobicContact CB-CE1 4.39Å; L79-F192 HydrophobicContact CD1-CE1 4.3Å
80E98.9Very high98.7Very high8 Ų831.5 Ų31.54%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-118.2145.3174.9-61.7-170.3118.400111L82 V87 Q88 T90 S95 F97E80-L82 HydrophobicContact CB-CD2 4.31Å; E80-V87 WeakPolarHBondContact O-CA 3.38Å; E80-Q88 HydrophobicContact CB-CG 4.05Å; E80-Q88 PolarHBondContact N-O 2.86Å; E80-Q88 PolarHBondContact O-N 2.88Å; E80-Q88 VanDerWaalsContact O-N 3.13Å; E80-Q88 PolarHBondContact OE2-NE2 2.84Å; E80-T90 HydrophobicContact CG-CG2 3.58Å; E80-T90 WeakPolarHBondContact OE2-CB 3.31Å; E80-S95 WeakPolarHBondContact OE1-CB 3.3Å; E80-S95 PolarHBondContact OE1-OG 3.4Å; E80-F97 WeakPolarHBondContact CA-O 3.49Å; E80-F97 HydrophobicContact CB-CB 4.06Å; E80-F97 HydrophobicContact CG-CB 4.34Å
81I98.9Very high98.7Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-119.5103.8170.6-51.2173.2000107.4L79 F97 L100 S117 L119 L121L79-I81 HydrophobicContact CD2-CD1 4.44Å; L79-I81 HydrophobicContact CD2-CG1 3.93Å; I81-F97 PolarHBondContact N-O 3.39Å; I81-L100 HydrophobicContact CD1-CD2 3.99Å; I81-L100 HydrophobicContact CG1-CD2 4.18Å; I81-S117 VanDerWaalsContact O-CB 3.26Å; I81-S117 WeakPolarHBondContact O-CB 3.36Å; I81-S117 PolarHBondContact O-OG 3.17Å; I81-L119 HydrophobicContact CG2-CB 3.87Å; I81-L119 HydrophobicContact CG2-CD1 4.4Å; I81-L121 HydrophobicContact CD1-CB 3.86Å
82L98.8Very high98.7Very high35 Ų3545.6 Ų45.618%0.18324%0.244CC..  trans-78157.4-175.9-56.8-173.5000111.6E80 G84 G85 T86 Q88 F97 L119E80-L82 HydrophobicContact CB-CD2 4.31Å; L82-G84 PolarHBondContact O-N 3.01Å; L82-G84 VanDerWaalsContact O-N 3.14Å; L82-G85 PolarHBondContact O-N 2.94Å; L82-T86 WeakPolarHBondContact CB-O 3.43Å; L82-T86 PolarHBondContact N-O 3.25Å; L82-Q88 HydrophobicContact CD1-CG 4.4Å; L82-Q88 HydrophobicContact CG-CG 4.43Å; L82-F97 HydrophobicContact CD2-CB 3.86Å; L82-F97 HydrophobicContact CD2-CD2 3.56Å; L82-F97 HydrophobicContact CD2-CE2 4.24Å; L82-F97 HydrophobicContact CD2-CG 3.74Å; L82-L119 WeakPolarHBondContact O-CD1 3.33Å
83P98.4Very high98.7Very high81 Ų8144.3 Ų44.353%0.52624%0.242SC..THydrogen-bonded Turntrans-58.9-26.7178.7-26.335.8000114.4G85 F97P83-G85 PolarHBondContact O-N 2.89Å; P83-F97 VanDerWaalsContact CD-CE1 3.46Å; P83-F97 HydrophobicContact CG-CD1 4.26Å; P83-F97 HydrophobicContact CG-CE1 3.56Å; P83-F97 HydrophobicContact CG-CZ 4.16Å
84G98.1Very high98.6Very high73 Ų7345.1 Ų45.175%0.75325%0.246SC*.THydrogen-bonded Turntrans-78.14.9174.800000114.8L82 T86L82-G84 PolarHBondContact O-N 3.01Å; L82-G84 VanDerWaalsContact O-N 3.14Å; G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.02Å
85G98.6Very high98.7Very high14 Ų1439.7 Ų39.714%0.14423%0.227CC..SBendtrans81.1-1.2-177.600000114.7L82 P83 Y130 G131L82-G85 PolarHBondContact O-N 2.94Å; P83-G85 PolarHBondContact O-N 2.89Å; G85-Y130 CarbonylContact O-C 3.52Å; G85-Y130 WeakPolarHBondContact O-CA 3.25Å; G85-G131 PolarHBondContact O-N 2.87Å
86T98.8Very high98.6Very high82 Ų8244 Ų4450%0.50324%0.24SC..BIsolated β-bridgetrans-71.6134.5173.6-53.60000110.8L82 G84L82-T86 WeakPolarHBondContact CB-O 3.43Å; L82-T86 PolarHBondContact N-O 3.25Å; G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.02Å
87V98.9Very high98.6Very high8 Ų846 Ų465%0.04825%0.246CC..EExtended strand (participates in β ladder)trans-104.3132.7171.5179.10000109.1L79 E80 L121 L129 A177L79-V87 HydrophobicContact CD1-CG1 4.04Å; L79-V87 HydrophobicContact CD2-CG1 4.33Å; L79-V87 HydrophobicContact CG-CG1 4.06Å; E80-V87 WeakPolarHBondContact O-CA 3.38Å; V87-L121 HydrophobicContact CG1-CD1 4.04Å; V87-L121 HydrophobicContact CG2-CD1 3.73Å; V87-L129 HydrophobicContact CB-CB 3.97Å; V87-L129 HydrophobicContact CG1-CB 4.05Å; V87-L129 HydrophobicContact CG1-CD1 4.19Å; V87-L129 HydrophobicContact CG2-CB 4.2Å; V87-A177 WeakPolarHBondContact O-CB 3.41Å
88Q98.8Very high98.6Very high71 Ų7145.4 Ų45.433%0.33224%0.243SC..EExtended strand (participates in β ladder)trans-149.8-177.4-179.568.3177.611.800111.6L79 E80 L82L79-Q88 CarbonylContact C-O 3.45Å; L79-Q88 WeakPolarHBondContact CA-O 3.45Å; E80-Q88 HydrophobicContact CB-CG 4.05Å; E80-Q88 PolarHBondContact N-O 2.86Å; E80-Q88 PolarHBondContact O-N 2.88Å; E80-Q88 VanDerWaalsContact O-N 3.13Å; E80-Q88 PolarHBondContact OE2-NE2 2.84Å; L82-Q88 HydrophobicContact CD1-CG 4.4Å; L82-Q88 HydrophobicContact CG-CG 4.43Å
89G98.9Very high98.6Very high14 Ų1445.1 Ų45.114%0.14424%0.242CC..EExtended strand (participates in β ladder)trans-120.2139.2174.900000112H78 G175H78-G89 CarbonylContact O-C 3.53Å; H78-G89 VanDerWaalsContact O-CA 3.27Å; H78-G89 WeakPolarHBondContact O-CA 3.45Å; G89-G175 VanDerWaalsContact CA-O 3.24Å; G89-G175 WeakPolarHBondContact CA-O 3.4Å; G89-G175 PolarHBondContact N-O 2.85Å
90T98.8Very high98.6Very high29 Ų2945.1 Ų45.118%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-123.6150.4173-173.90000111.6F77 H78 E80 K92F77-T90 CarbonylContact C-O 3.59Å; F77-T90 VanDerWaalsContact CA-O 3.23Å; F77-T90 WeakPolarHBondContact CA-O 3.35Å; H78-T90 HydrophobicContact CB-CG2 4.25Å; H78-T90 PolarHBondContact N-O 3.35Å; H78-T90 PolarHBondContact O-N 3.34Å; E80-T90 HydrophobicContact CG-CG2 3.58Å; E80-T90 WeakPolarHBondContact OE2-CB 3.31Å; T90-K92 VanDerWaalsContact C-N 3.31Å; T90-K92 HydrophobicContact CG2-CB 4.38Å; T90-K92 WeakPolarHBondContact OG1-CB 3.46Å; T90-K92 PolarHBondContact OG1-N 2.79Å; T90-K92 VanDerWaalsContact OG1-N 3.16Å
91R98.7Very high98.5Very high162 Ų16246.6 Ų46.661%0.61125%0.249SC*.SBendtrans-84.3-11.1170-61.5-172.1177.6-79.52.4112.6G76 F77 D93G76-R91 PolarHBondContact O-NH1 3.39Å; F77-R91 HydrophobicContact CD1-CG 3.82Å; F77-R91 HydrophobicContact CE1-CG 3.69Å; F77-R91 HydrophobicContact CZ-CG 4.32Å; R91-D93 PolarHBondContact O-N 3.05Å
92K98.6Very high98.4Very high133 Ų13347.7 Ų47.758%0.57825%0.254SS*.  trans-72.2110.6-177-177.1-179.4176.6-176.90109.7T90 S95T90-K92 VanDerWaalsContact C-N 3.31Å; T90-K92 HydrophobicContact CG2-CB 4.38Å; T90-K92 WeakPolarHBondContact OG1-CB 3.46Å; T90-K92 PolarHBondContact OG1-N 2.79Å; T90-K92 VanDerWaalsContact OG1-N 3.16Å; K92-S95 PolarHBondContact O-N 2.82Å
93D98.4Very high98.3Very high39 Ų3948 Ų4821%0.20926%0.255CS..THydrogen-bonded Turntrans-64.5135.8170.2-169.265.8000110.5H78 R91 S95 R195 R201H78-D93 IonicContact CE1-OD1 3.61Å; H78-D93 IonicContact NE2-OD1 3.06Å; H78-D93 PolarHBondContact NE2-OD1 2.49Å; R91-D93 PolarHBondContact O-N 3.05Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.03Å; D93-R195 IonicContact OD1-CZ 3.2Å; D93-R195 IonicContact OD1-NH1 2.73Å; D93-R195 PolarHBondContact OD1-NH1 3.34Å; D93-R195 IonicContact OD1-NH2 2.97Å; D93-R195 PolarHBondContact OD1-NH2 2.88Å; D93-R195 IonicContact OD2-NH2 3.96Å; D93-R201 PolarHBondContact O-NH2 3.19Å; D93-R201 VanDerWaalsContact O-NH2 3.17Å; D93-R201 IonicContact OD2-CZ 3.18Å; D93-R201 VanDerWaalsContact OD2-CZ 3.26Å; D93-R201 IonicContact OD2-NH1 2.74Å; D93-R201 PolarHBondContact OD2-NH1 2.88Å; D93-R201 IonicContact OD2-NH2 2.78Å; D93-R201 PolarHBondContact OD2-NH2 2.5Å; D93-R201 VanDerWaalsContact OD2-NH2 3.12Å
94H98.4Very high98.1Very high17 Ų1747.6 Ų47.68%0.07925%0.254CS..THydrogen-bonded Turntrans56.441.2-171.8-63.374.1000112.7Q70 D198 R201 V202Q70-H94 PolarHBondContact NE2-CE1 2.68Å; Q70-H94 PolarHBondContact NE2-ND1 3.15Å; Q70-H94 PolarHBondContact NE2-NE2 3.32Å; H94-D198 PolarHBondContact NE2-N 3.46Å; H94-R201 HydrophobicContact CB-CB 4.09Å; H94-R201 PolarHBondContact CE1-NH1 3.17Å; H94-R201 PolarHBondContact ND1-NH1 3.11Å; H94-R201 VanDerWaalsContact ND1-NH1 3.12Å; H94-V202 HydrophobicContact CB-CG1 4.13Å
95S98.4Very high98Very high11 Ų1147.8 Ų47.88%0.07724%0.237CC..  trans-63.4140167.5-168.50000110.7E80 K92 D93 F97 G98 I99E80-S95 WeakPolarHBondContact OE1-CB 3.3Å; E80-S95 PolarHBondContact OE1-OG 3.4Å; K92-S95 PolarHBondContact O-N 2.82Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.03Å; S95-F97 VanDerWaalsContact C-N 3.27Å; S95-F97 PolarHBondContact O-N 2.8Å; S95-G98 WeakPolarHBondContact O-CA 3.27Å; S95-G98 PolarHBondContact O-N 3.06Å; S95-I99 PolarHBondContact O-N 2.74Å
96R97.6Very high97.9Very high118 Ų11849.4 Ų49.445%0.44525%0.249SC..G310 helixtrans-51.9-44-178.6-178.1176.4174.9-171.4-7.2112.5D116 L205R96-D116 HydrophobicContact CG-CB 4.16Å; R96-D116 IonicContact CZ-OD1 2.68Å; R96-D116 IonicContact CZ-OD2 3.4Å; R96-D116 IonicContact NE-OD1 3.12Å; R96-D116 PolarHBondContact NE-OD1 3.03Å; R96-D116 IonicContact NE-OD2 3.3Å; R96-D116 PolarHBondContact NE-OD2 2.81Å; R96-D116 IonicContact NH2-OD1 3.26Å; R96-D116 PolarHBondContact NH2-OD1 3.31Å; R96-D116 IonicContact NH2-OD2 3.3Å; R96-D116 PolarHBondContact NH2-OD2 2.97Å; R96-L205 HydrophobicContact CG-CD2 4.42Å
97F98.6Very high97.8Very high52 Ų5252.7 Ų52.723%0.22827%0.269CS..G310 helixtrans-87.8-4.2-179.9-52.2-65.8000113.9E80 I81 L82 P83 S95 D116E80-F97 WeakPolarHBondContact CA-O 3.49Å; E80-F97 HydrophobicContact CB-CB 4.06Å; E80-F97 HydrophobicContact CG-CB 4.34Å; I81-F97 PolarHBondContact N-O 3.39Å; L82-F97 HydrophobicContact CD2-CB 3.86Å; L82-F97 HydrophobicContact CD2-CD2 3.56Å; L82-F97 HydrophobicContact CD2-CE2 4.24Å; L82-F97 HydrophobicContact CD2-CG 3.74Å; P83-F97 VanDerWaalsContact CD-CE1 3.46Å; P83-F97 HydrophobicContact CG-CD1 4.26Å; P83-F97 HydrophobicContact CG-CE1 3.56Å; P83-F97 HydrophobicContact CG-CZ 4.16Å; S95-F97 VanDerWaalsContact C-N 3.27Å; S95-F97 PolarHBondContact O-N 2.8Å; F97-D116 HydrophobicContact CD1-CB 4.17Å; F97-D116 HydrophobicContact CE1-CB 4.48Å; F97-D116 WeakPolarHBondContact CE1-OD1 3.5Å
98G98.6Very high97.6Very high0 Ų054.1 Ų54.10%029%0.285CS..G310 helixtrans-95.22.2176.600000113.8L79 S95L79-G98 WeakPolarHBondContact O-CA 3.23Å; S95-G98 WeakPolarHBondContact O-CA 3.27Å; S95-G98 PolarHBondContact O-N 3.06Å
99I98.6Very high97.6Very high0 Ų052.2 Ų52.20%028%0.277CS..  trans-87.3115.9171.6-52.1-47.3000108.5R68 Q70 S95 V115 V197 V202 L205R68-I99 HydrophobicContact CB-CG2 4.43Å; Q70-I99 HydrophobicContact CG-CD1 3.88Å; S95-I99 PolarHBondContact O-N 2.74Å; I99-V115 HydrophobicContact CG2-CB 4.25Å; I99-V115 HydrophobicContact CG2-CG2 3.94Å; I99-V115 PolarHBondContact O-N 2.79Å; I99-V197 HydrophobicContact CD1-CG1 3.89Å; I99-V197 HydrophobicContact CD1-CG2 4.08Å; I99-V197 HydrophobicContact CG2-CG1 4.17Å; I99-V197 HydrophobicContact CG2-CG2 4.18Å; I99-V202 HydrophobicContact CD1-CG1 4.25Å; I99-V202 HydrophobicContact CD1-CG2 4.44Å; I99-V202 HydrophobicContact CG1-CB 4.48Å; I99-V202 HydrophobicContact CG1-CG1 4.04Å; I99-V202 HydrophobicContact CG1-CG2 4.25Å; I99-L205 HydrophobicContact CB-CD1 3.63Å; I99-L205 HydrophobicContact CG1-CD1 3.58Å; I99-L205 HydrophobicContact CG2-CD1 4Å
100L98.5Very high97.5Very high0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-123.4137.8-170.2-51.2175000110.4R68 R69 L71 L79 I81 F102 I112 R113R68-L100 CarbonylContact C-O 3.6Å; R68-L100 VanDerWaalsContact CA-O 3.24Å; R68-L100 WeakPolarHBondContact CA-O 3.23Å; R69-L100 PolarHBondContact N-O 2.69Å; R69-L100 PolarHBondContact O-N 3.5Å; R69-L100 VanDerWaalsContact O-O 3.13Å; L71-L100 HydrophobicContact CB-CD1 3.76Å; L79-L100 HydrophobicContact CD2-CD1 3.89Å; I81-L100 HydrophobicContact CD1-CD2 3.99Å; I81-L100 HydrophobicContact CG1-CD2 4.18Å; L100-F102 HydrophobicContact CB-CE2 4.42Å; L100-I112 HydrophobicContact CB-CG2 3.84Å; L100-I112 HydrophobicContact CD1-CG2 3.84Å; L100-I112 HydrophobicContact CD2-CG2 4.48Å; L100-I112 HydrophobicContact CG-CG2 4.26Å; L100-R113 CarbonylContact C-O 3.51Å; L100-R113 VanDerWaalsContact CA-O 3.27Å; L100-R113 WeakPolarHBondContact CA-O 3.39Å
101E97.7Very high97.5Very high40 Ų4050.6 Ų50.619%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-95.1125.8172.2-176.3-179.1178.700110.3G64 I103 R113 V115G64-E101 WeakPolarHBondContact CA-OE1 3.49Å; E101-I103 HydrophobicContact CG-CG1 4.37Å; E101-R113 PolarHBondContact N-O 2.75Å; E101-R113 PolarHBondContact O-N 2.78Å; E101-V115 HydrophobicContact CB-CG2 4.16Å
102F96.4Very high97.5Very high23 Ų2342.9 Ų42.910%0.10123%0.234CC..EExtended strand (participates in β ladder)trans-91.2119.8176.5-82.9-123.6000110.4R67 R69 L71 L100 I110 I112 Y153R67-F102 HydrophobicContact CB-CB 4.48Å; R67-F102 WeakPolarHBondContact CB-O 3.33Å; R67-F102 WeakPolarHBondContact CD-O 3.46Å; R67-F102 PolarHBondContact O-N 2.87Å; R69-F102 HydrophobicContact CB-CD2 4.07Å; R69-F102 HydrophobicContact CB-CE2 3.93Å; R69-F102 HydrophobicContact CG-CD2 4.27Å; R69-F102 HydrophobicContact CG-CE2 4.47Å; L71-F102 HydrophobicContact CD1-CZ 3.79Å; L71-F102 HydrophobicContact CD2-CZ 4.34Å; L100-F102 HydrophobicContact CB-CE2 4.42Å; F102-I110 HydrophobicContact CD1-CD1 3.57Å; F102-I110 HydrophobicContact CE1-CD1 3.49Å; F102-I110 VanDerWaalsContact CE1-CD1 3.49Å; F102-I110 HydrophobicContact CZ-CD1 4.48Å; F102-I112 HydrophobicContact CE1-CD1 4.45Å; F102-I112 HydrophobicContact CE1-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG2 4.35Å; F102-I112 HydrophobicContact CZ-CD1 4.15Å; F102-I112 HydrophobicContact CZ-CG1 4.22Å; F102-Y153 HydrophobicContact CE1-CE1 4.06Å
103I96.2Very high97.5Very high41 Ų4140.2 Ų40.221%0.2122%0.221CC..EExtended strand (participates in β ladder)trans-109113.7-178.9-58.5165.2000107.9E101 I105 I110 S111 R113 Y120E101-I103 HydrophobicContact CG-CG1 4.37Å; I103-I105 HydrophobicContact CG2-CD1 4.12Å; I103-I105 PolarHBondContact O-N 3.31Å; I103-I110 CarbonylContact O-C 3.59Å; I103-I110 VanDerWaalsContact O-CA 3.3Å; I103-I110 WeakPolarHBondContact O-CA 3.25Å; I103-S111 PolarHBondContact N-O 3.42Å; I103-S111 PolarHBondContact O-N 2.97Å; I103-R113 HydrophobicContact CD1-CB 4.14Å; I103-Y120 HydrophobicContact CD1-CD1 4.44Å; I103-Y120 HydrophobicContact CD1-CE1 3.7Å
104S95.2Very high97.5Very high73 Ų7338.4 Ų38.451%0.5121%0.211SC..EExtended strand (participates in β ladder)trans-74.1120.5175.5-178.30000109.8
105I96.2Very high97.5Very high76 Ų7639 Ų3939%0.3922%0.216SC..EExtended strand (participates in β ladder)trans-94.1-47.5178.1-56.8-60.2000110I103 L109 L135I103-I105 HydrophobicContact CG2-CD1 4.12Å; I103-I105 PolarHBondContact O-N 3.31Å; I105-L109 HydrophobicContact CB-CB 4.22Å; I105-L109 PolarHBondContact N-O 3.09Å; I105-L135 HydrophobicContact CD1-CD2 4.36Å
106A95.8Very high97.4Very high48 Ų4840.4 Ų40.440%0.39722%0.223SC..EExtended strand (participates in β ladder)trans-156.4-179.4174.400000109.1G108 L109A106-G108 PolarHBondContact O-N 3.31Å; A106-G108 VanDerWaalsContact O-N 3.1Å; A106-L109 HydrophobicContact CB-CB 4.18Å; A106-L109 HydrophobicContact CB-CD1 4.19Å; A106-L109 HydrophobicContact CB-CG 4.39Å; A106-L109 PolarHBondContact N-O 3.36Å; A106-L109 PolarHBondContact O-N 3.41Å
107V95.4Very high97.5Very high152 Ų15235.6 Ų35.692%0.92121%0.207SC*.THydrogen-bonded Turntrans-57.6118.9174.5-179.40000109.8L109V107-L109 PolarHBondContact O-N 2.78Å
108G95.7Very high97.4Very high37 Ų3735 Ų3538%0.38121%0.212SC..THydrogen-bonded Turntrans71.26.1-178.300000115.3A106 R142 E143A106-G108 PolarHBondContact O-N 3.31Å; A106-G108 VanDerWaalsContact O-N 3.1Å; G108-R142 CarbonylContact O-C 3.6Å; G108-R142 WeakPolarHBondContact O-CA 3.12Å; G108-E143 PolarHBondContact O-N 2.95Å
109L98.3Very high97.4Very high31 Ų3135.8 Ų35.816%0.16222%0.216CC..EExtended strand (participates in β ladder)trans-117.6128.6175.7-60.4-174.5000110.7I105 A106 V107 V140 F141 R142 N156I105-L109 HydrophobicContact CB-CB 4.22Å; I105-L109 PolarHBondContact N-O 3.09Å; A106-L109 HydrophobicContact CB-CB 4.18Å; A106-L109 HydrophobicContact CB-CD1 4.19Å; A106-L109 HydrophobicContact CB-CG 4.39Å; A106-L109 PolarHBondContact N-O 3.36Å; A106-L109 PolarHBondContact O-N 3.41Å; V107-L109 PolarHBondContact O-N 2.78Å; L109-V140 HydrophobicContact CB-CG1 4.18Å; L109-V140 HydrophobicContact CD1-CG1 4.44Å; L109-F141 CarbonylContact C-O 3.51Å; L109-F141 WeakPolarHBondContact CA-O 3.24Å; L109-R142 HydrophobicContact CD2-CB 4.26Å; L109-R142 HydrophobicContact CD2-CG 3.33Å; L109-N156 HydrophobicContact CD2-CB 4.45Å
110I98.2Very high97.4Very high9 Ų937.7 Ų37.75%0.04622%0.224CC..EExtended strand (participates in β ladder)trans-133.1159.1-178.968.4163.3000111.6F102 I103 I112 F141 E143 Y153F102-I110 HydrophobicContact CD1-CD1 3.57Å; F102-I110 HydrophobicContact CE1-CD1 3.49Å; F102-I110 VanDerWaalsContact CE1-CD1 3.49Å; F102-I110 HydrophobicContact CZ-CD1 4.48Å; I103-I110 CarbonylContact O-C 3.59Å; I103-I110 VanDerWaalsContact O-CA 3.3Å; I103-I110 WeakPolarHBondContact O-CA 3.25Å; I110-I112 HydrophobicContact CD1-CD1 3.95Å; I110-I112 HydrophobicContact CD1-CG1 3.77Å; I110-I112 HydrophobicContact CG1-CG1 4.45Å; I110-F141 HydrophobicContact CG1-CB 4.47Å; I110-F141 PolarHBondContact N-O 3.02Å; I110-F141 PolarHBondContact O-N 3.01Å; I110-E143 HydrophobicContact CD1-CB 4.31Å; I110-E143 HydrophobicContact CG1-CB 4.27Å; I110-E143 HydrophobicContact CG2-CB 4.33Å; I110-Y153 HydrophobicContact CD1-CD1 3.66Å; I110-Y153 HydrophobicContact CD1-CE1 3.36Å; I110-Y153 HydrophobicContact CG1-CD1 4.29Å; I110-Y153 HydrophobicContact CG1-CE1 4.37Å
111S98.6Very high97.5Very high0 Ų037.7 Ų37.70%022%0.224CC..EExtended strand (participates in β ladder)trans-117.7149.9158.3-68.80000109.1I103 L135 C139I103-S111 PolarHBondContact N-O 3.42Å; I103-S111 PolarHBondContact O-N 2.97Å; S111-L135 WeakPolarHBondContact OG-CD1 3.39Å; S111-C139 WeakPolarHBondContact CA-O 3.46Å; S111-C139 WeakPolarHBondContact CB-O 3.49Å; S111-C139 PolarHBondContact OG-O 2.94Å
112I98.8Very high97.5Very high0 Ų035.8 Ų35.80%022%0.215CC..EExtended strand (participates in β ladder)trans-120.7125-177.5-59.9169000106.8L71 L100 F102 I110 Y120 L121 Y153L71-I112 HydrophobicContact CD2-CD1 4.02Å; L100-I112 HydrophobicContact CB-CG2 3.84Å; L100-I112 HydrophobicContact CD1-CG2 3.84Å; L100-I112 HydrophobicContact CD2-CG2 4.48Å; L100-I112 HydrophobicContact CG-CG2 4.26Å; F102-I112 HydrophobicContact CE1-CD1 4.45Å; F102-I112 HydrophobicContact CE1-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG2 4.35Å; F102-I112 HydrophobicContact CZ-CD1 4.15Å; F102-I112 HydrophobicContact CZ-CG1 4.22Å; I110-I112 HydrophobicContact CD1-CD1 3.95Å; I110-I112 HydrophobicContact CD1-CG1 3.77Å; I110-I112 HydrophobicContact CG1-CG1 4.45Å; I112-Y120 CarbonylContact O-C 3.51Å; I112-Y120 WeakPolarHBondContact O-CA 3.08Å; I112-L121 HydrophobicContact CB-CB 4.16Å; I112-L121 HydrophobicContact CD1-CD2 4.13Å; I112-L121 PolarHBondContact O-N 3.47Å; I112-Y153 HydrophobicContact CD1-CD1 4.43Å
113R98.6Very high97.6Very high78 Ų7834.7 Ų34.729%0.29421%0.21SC..EExtended strand (participates in β ladder)trans-118.3133.3-179.6-170.7-176.1179.3-151.6-0.6110.4L100 E101 I103 V115 A118 L119 Y120L100-R113 CarbonylContact C-O 3.51Å; L100-R113 VanDerWaalsContact CA-O 3.27Å; L100-R113 WeakPolarHBondContact CA-O 3.39Å; E101-R113 PolarHBondContact N-O 2.75Å; E101-R113 PolarHBondContact O-N 2.78Å; I103-R113 HydrophobicContact CD1-CB 4.14Å; R113-V115 PolarHBondContact O-N 2.86Å; R113-A118 PolarHBondContact NE-O 3.26Å; R113-L119 CarbonylContact C-O 3.48Å; R113-L119 WeakPolarHBondContact CA-O 3.36Å; R113-L119 WeakPolarHBondContact CG-O 3.48Å; R113-Y120 HydrophobicContact CB-CD1 4Å; R113-Y120 HydrophobicContact CB-CE1 4.1Å; R113-Y120 HydrophobicContact CG-CD1 4.16Å; R113-Y120 HydrophobicContact CG-CE1 4.11Å; R113-Y120 HydrophobicContact CG-CG 4.5Å
114G98.5Very high97.8Very high1 Ų134.1 Ų34.11%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-68.6124.4169.300000109.5A118 L119G114-A118 VanDerWaalsContact O-CA 3.22Å; G114-A118 WeakPolarHBondContact O-CA 3.22Å; G114-A118 PolarHBondContact O-N 3.11Å; G114-L119 PolarHBondContact N-O 3.08Å
115V97.2Very high97.9Very high30 Ų3035.2 Ų35.218%0.18221%0.207CC..THydrogen-bonded Turntrans-65.2-46.8-177.5173.80000110.5R68 I99 E101 R113 L205R68-V115 HydrophobicContact CG-CG2 4.04Å; I99-V115 HydrophobicContact CG2-CB 4.25Å; I99-V115 HydrophobicContact CG2-CG2 3.94Å; I99-V115 PolarHBondContact O-N 2.79Å; E101-V115 HydrophobicContact CB-CG2 4.16Å; R113-V115 PolarHBondContact O-N 2.86Å; V115-L205 HydrophobicContact CG1-CB 4.18Å; V115-L205 HydrophobicContact CG1-CD1 4.36Å; V115-L205 HydrophobicContact CG1-CD2 4.47Å
116D97.4Very high98Very high40 Ų4037.9 Ų37.921%0.21422%0.216CC..THydrogen-bonded Turntrans-75.3-48.1-178.3-169.2-104.2000112.9R96 F97 A118 L205R96-D116 HydrophobicContact CG-CB 4.16Å; R96-D116 IonicContact CZ-OD1 2.68Å; R96-D116 IonicContact CZ-OD2 3.4Å; R96-D116 IonicContact NE-OD1 3.12Å; R96-D116 PolarHBondContact NE-OD1 3.03Å; R96-D116 IonicContact NE-OD2 3.3Å; R96-D116 PolarHBondContact NE-OD2 2.81Å; R96-D116 IonicContact NH2-OD1 3.26Å; R96-D116 PolarHBondContact NH2-OD1 3.31Å; R96-D116 IonicContact NH2-OD2 3.3Å; R96-D116 PolarHBondContact NH2-OD2 2.97Å; F97-D116 HydrophobicContact CD1-CB 4.17Å; F97-D116 HydrophobicContact CE1-CB 4.48Å; F97-D116 WeakPolarHBondContact CE1-OD1 3.5Å; D116-A118 PolarHBondContact O-N 2.88Å; D116-L205 HydrophobicContact CB-CD2 3.72Å; D116-L205 VanDerWaalsContact OD2-CD2 3.31Å; D116-L205 WeakPolarHBondContact OD2-CD2 3.07Å
117S98.2Very high98.1Very high16 Ų1635.6 Ų35.611%0.11220%0.197CC..THydrogen-bonded Turntrans-74.2-15.5-178.855.90000113.3I81 L119I81-S117 VanDerWaalsContact O-CB 3.26Å; I81-S117 WeakPolarHBondContact O-CB 3.36Å; I81-S117 PolarHBondContact O-OG 3.17Å; S117-L119 WeakPolarHBondContact O-CG 3.17Å; S117-L119 PolarHBondContact O-N 3.15Å
118A97.7Very high98.3Very high41 Ų4133.2 Ų33.234%0.33918%0.176SC..  trans60.14.7-173.500000115.2R113 G114 D116R113-A118 PolarHBondContact NE-O 3.26Å; G114-A118 VanDerWaalsContact O-CA 3.22Å; G114-A118 WeakPolarHBondContact O-CA 3.22Å; G114-A118 PolarHBondContact O-N 3.11Å; D116-A118 PolarHBondContact O-N 2.88Å
119L98.8Very high98.5Very high16 Ų1632.3 Ų32.38%0.08416%0.163CC..PPolyproline II helixtrans-86.9146-178.4-57.3-178.7000111.9I81 L82 R113 G114 S117 S132 E133I81-L119 HydrophobicContact CG2-CB 3.87Å; I81-L119 HydrophobicContact CG2-CD1 4.4Å; L82-L119 WeakPolarHBondContact O-CD1 3.33Å; R113-L119 CarbonylContact C-O 3.48Å; R113-L119 WeakPolarHBondContact CA-O 3.36Å; R113-L119 WeakPolarHBondContact CG-O 3.48Å; G114-L119 PolarHBondContact N-O 3.08Å; S117-L119 WeakPolarHBondContact O-CG 3.17Å; S117-L119 PolarHBondContact O-N 3.15Å; L119-S132 CarbonylContact C-O 3.55Å; L119-S132 WeakPolarHBondContact CA-O 3.24Å; L119-E133 HydrophobicContact CD2-CB 4.3Å; L119-E133 HydrophobicContact CD2-CG 3.74Å
120Y98.9Very high98.5Very high39 Ų3933.8 Ų33.815%0.15317%0.166CC..EExtended strand (participates in β ladder)trans-84.6138.8171.2-61.1-89.2000110.2I103 I112 R113 G122 G131 S132 L135I103-Y120 HydrophobicContact CD1-CD1 4.44Å; I103-Y120 HydrophobicContact CD1-CE1 3.7Å; I112-Y120 CarbonylContact O-C 3.51Å; I112-Y120 WeakPolarHBondContact O-CA 3.08Å; R113-Y120 HydrophobicContact CB-CD1 4Å; R113-Y120 HydrophobicContact CB-CE1 4.1Å; R113-Y120 HydrophobicContact CG-CD1 4.16Å; R113-Y120 HydrophobicContact CG-CE1 4.11Å; R113-Y120 HydrophobicContact CG-CG 4.5Å; Y120-G122 PolarHBondContact O-N 3.15Å; Y120-G131 CarbonylContact O-C 3.45Å; Y120-G131 WeakPolarHBondContact O-CA 3.38Å; Y120-S132 PolarHBondContact N-O 2.77Å; Y120-S132 PolarHBondContact O-N 3.38Å; Y120-L135 HydrophobicContact CD1-CB 4.33Å; Y120-L135 HydrophobicContact CD1-CD1 3.92Å; Y120-L135 HydrophobicContact CD2-CB 4.31Å; Y120-L135 HydrophobicContact CE1-CB 4.08Å; Y120-L135 HydrophobicContact CE1-CD1 4.14Å; Y120-L135 HydrophobicContact CE2-CB 4.08Å; Y120-L135 HydrophobicContact CG-CB 4.43Å; Y120-L135 HydrophobicContact CG-CD1 4.43Å
121L98.9Very high98.5Very high0 Ų033.9 Ų33.90%017%0.17CC..EExtended strand (participates in β ladder)trans-62.6124.5166.3-177.261.7000108.3L79 I81 V87 I112 L129 C139 F141 V169L79-L121 HydrophobicContact CD1-CD2 4.38Å; L79-L121 HydrophobicContact CD2-CD2 4.43Å; I81-L121 HydrophobicContact CD1-CB 3.86Å; V87-L121 HydrophobicContact CG1-CD1 4.04Å; V87-L121 HydrophobicContact CG2-CD1 3.73Å; I112-L121 HydrophobicContact CB-CB 4.16Å; I112-L121 HydrophobicContact CD1-CD2 4.13Å; I112-L121 PolarHBondContact O-N 3.47Å; L121-L129 HydrophobicContact CD1-CB 4.43Å; L121-L129 HydrophobicContact CD1-CD2 4.38Å; L121-C139 VanDerWaalsContact O-CA 3.25Å; L121-C139 WeakPolarHBondContact O-CA 3.23Å; L121-C139 WeakPolarHBondContact O-CB 3.46Å; L121-F141 HydrophobicContact CB-CE2 4.07Å; L121-F141 HydrophobicContact CB-CZ 4.46Å; L121-F141 HydrophobicContact CD2-CE2 4.03Å; L121-F141 HydrophobicContact CD2-CZ 4.12Å; L121-F141 HydrophobicContact CG-CE2 3.88Å; L121-F141 HydrophobicContact CG-CZ 3.84Å; L121-F141 VanDerWaalsContact O-CE2 3.24Å; L121-F141 WeakPolarHBondContact O-CE2 3.32Å; L121-V169 HydrophobicContact CD2-CG1 4.25Å; L121-V169 HydrophobicContact CD2-CG2 4.22Å
122G98.9Very high98.5Very high0 Ų034.7 Ų34.70%018%0.175CC..EExtended strand (participates in β ladder)trans-121156.4174.600000111.2Y120 L129 Y130 E138Y120-G122 PolarHBondContact O-N 3.15Å; G122-L129 WeakPolarHBondContact O-CA 3.1Å; G122-Y130 PolarHBondContact N-O 2.88Å; G122-Y130 PolarHBondContact O-N 2.84Å; G122-E138 WeakPolarHBondContact CA-O 3.36Å
123M98.9Very high98.5Very high0 Ų042.4 Ų42.40%021%0.212CC..EExtended strand (participates in β ladder)trans-133.8121.3168.9-178.1-175.2-69.100109.6E128 L129 E138 F141 Y158 Y167 F168 V169M123-E128 WeakPolarHBondContact CA-O 3.5Å; M123-L129 HydrophobicContact CB-CD2 4.04Å; M123-L129 HydrophobicContact CE-CD2 3.44Å; M123-L129 VanDerWaalsContact CE-CD2 3.44Å; M123-L129 HydrophobicContact CG-CD2 4.26Å; M123-E138 PolarHBondContact N-O 2.75Å; M123-E138 WeakPolarHBondContact O-CB 3.36Å; M123-F141 HydrophobicContact CB-CE1 3.98Å; M123-F141 HydrophobicContact CB-CZ 4.32Å; M123-F141 HydrophobicContact CE-CE1 4.4Å; M123-Y158 WeakPolarHBondContact O-CD2 3.22Å; M123-Y158 VanDerWaalsContact O-CE2 3.27Å; M123-Y158 WeakPolarHBondContact O-CE2 3.45Å; M123-Y167 WeakPolarHBondContact SD-CB 3.36Å; M123-Y167 HydrophobicContact SD-CD2 4.41Å; M123-Y167 HydrophobicContact SD-CG 4.49Å; M123-F168 VanDerWaalsContact CE-C 3.46Å; M123-F168 WeakPolarHBondContact CE-O 3.41Å; M123-V169 HydrophobicContact CE-CG2 4.09Å
124N98.8Very high98.5Very high29 Ų2946.3 Ų46.316%0.15523%0.231CC..  trans-80.9178-178.871.612.4000113.1K126 G127 E128 Y130 E138 Y158N124-K126 PolarHBondContact O-N 3.45Å; N124-K126 WeakPolarHBondContact OD1-CA 3.36Å; N124-K126 WeakPolarHBondContact OD1-CB 3.44Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.08Å; N124-G127 WeakPolarHBondContact O-CA 3.44Å; N124-G127 PolarHBondContact O-N 2.62Å; N124-G127 PolarHBondContact OD1-N 3.38Å; N124-G127 VanDerWaalsContact OD1-N 3.15Å; N124-E128 PolarHBondContact N-O 3.2Å; N124-E128 VanDerWaalsContact N-O 3.11Å; N124-E128 PolarHBondContact ND2-OE2 3.17Å; N124-E128 WeakPolarHBondContact OD1-CB 3.49Å; N124-E128 PolarHBondContact OD1-N 2.81Å; N124-Y130 HydrophobicContact CB-CD1 4.45Å; N124-Y130 HydrophobicContact CB-CE1 4.08Å; N124-E138 WeakPolarHBondContact CA-OE1 3.35Å; N124-Y158 WeakPolarHBondContact O-CD2 3.45Å
125D98.3Very high98.5Very high96 Ų9650.3 Ų50.351%0.51325%0.251SS..THydrogen-bonded Turntrans-60.6-24.5178.567.3-21000114.3G127 Y158D125-G127 VanDerWaalsContact C-N 3.29Å; D125-Y158 HydrophobicContact CB-CD1 4.32Å; D125-Y158 HydrophobicContact CB-CE1 3.75Å; D125-Y158 HydrophobicContact CB-CE2 4.43Å
126K98.3Very high98.5Very high132 Ų13251.1 Ų51.157%0.57426%0.258SS*.THydrogen-bonded Turntrans-84.5-0172.3-61.6174.7-171.6172.10113.4N124 E128 T181N124-K126 PolarHBondContact O-N 3.45Å; N124-K126 WeakPolarHBondContact OD1-CA 3.36Å; N124-K126 WeakPolarHBondContact OD1-CB 3.44Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.08Å; K126-E128 VanDerWaalsContact C-N 3.3Å; K126-E128 HydrophobicContact CB-CG 4.12Å; K126-T181 VanDerWaalsContact O-CG2 3.23Å; K126-T181 WeakPolarHBondContact O-CG2 3.4Å
127G98.6Very high98.6Very high0 Ų052.1 Ų52.10%027%0.272CS..  trans75.115.2-177.800000114.3N124 D125 G180N124-G127 WeakPolarHBondContact O-CA 3.44Å; N124-G127 PolarHBondContact O-N 2.62Å; N124-G127 PolarHBondContact OD1-N 3.38Å; N124-G127 VanDerWaalsContact OD1-N 3.15Å; D125-G127 VanDerWaalsContact C-N 3.29Å; G127-G180 PolarHBondContact O-N 3.23Å
128E98.9Very high98.6Very high102 Ų10253.2 Ų53.248%0.47728%0.276SS..  trans-81.8133.5178.3-57.4168.3144.100109.7M123 N124 K126M123-E128 WeakPolarHBondContact CA-O 3.5Å; N124-E128 PolarHBondContact N-O 3.2Å; N124-E128 VanDerWaalsContact N-O 3.11Å; N124-E128 PolarHBondContact ND2-OE2 3.17Å; N124-E128 WeakPolarHBondContact OD1-CB 3.49Å; N124-E128 PolarHBondContact OD1-N 2.81Å; K126-E128 VanDerWaalsContact C-N 3.3Å; K126-E128 HydrophobicContact CB-CG 4.12Å
129L98.9Very high98.7Very high19 Ų1951.3 Ų51.310%0.09926%0.259CS..EExtended strand (participates in β ladder)trans-83.5136.7175.8-62.2179.4000110.3V87 L121 G122 M123 V169 A177V87-L129 HydrophobicContact CB-CB 3.97Å; V87-L129 HydrophobicContact CG1-CB 4.05Å; V87-L129 HydrophobicContact CG1-CD1 4.19Å; V87-L129 HydrophobicContact CG2-CB 4.2Å; L121-L129 HydrophobicContact CD1-CB 4.43Å; L121-L129 HydrophobicContact CD1-CD2 4.38Å; G122-L129 WeakPolarHBondContact O-CA 3.1Å; M123-L129 HydrophobicContact CB-CD2 4.04Å; M123-L129 HydrophobicContact CE-CD2 3.44Å; M123-L129 VanDerWaalsContact CE-CD2 3.44Å; M123-L129 HydrophobicContact CG-CD2 4.26Å; L129-V169 HydrophobicContact CD1-CG1 3.88Å; L129-V169 HydrophobicContact CD2-CG1 4.44Å; L129-V169 HydrophobicContact CD2-CG2 4.14Å; L129-A177 HydrophobicContact CB-CB 4.36Å; L129-A177 HydrophobicContact CD1-CB 4.32Å
130Y98.9Very high98.7Very high61 Ų6151.4 Ų51.424%0.23926%0.261CS..EExtended strand (participates in β ladder)trans-149.5165.3178.672.2-83.9000111.3G85 G122 N124 E138G85-Y130 CarbonylContact O-C 3.52Å; G85-Y130 WeakPolarHBondContact O-CA 3.25Å; G122-Y130 PolarHBondContact N-O 2.88Å; G122-Y130 PolarHBondContact O-N 2.84Å; N124-Y130 HydrophobicContact CB-CD1 4.45Å; N124-Y130 HydrophobicContact CB-CE1 4.08Å; Y130-E138 WeakPolarHBondContact CE1-OE2 3.4Å; Y130-E138 VanDerWaalsContact CZ-OE2 3.31Å; Y130-E138 PolarHBondContact OH-OE2 3.13Å
131G98.9Very high98.7Very high12 Ų1249.5 Ų49.512%0.12425%0.253CS..EExtended strand (participates in β ladder)trans-93.8118.7170.500000110.7G85 Y120G85-G131 PolarHBondContact O-N 2.87Å; Y120-G131 CarbonylContact O-C 3.45Å; Y120-G131 WeakPolarHBondContact O-CA 3.38Å
132S98.8Very high98.6Very high16 Ų1653.6 Ų53.611%0.11227%0.269CS..EExtended strand (participates in β ladder)trans-98.5133.8178-1770000111.3L119 Y120 K134 C139L119-S132 CarbonylContact C-O 3.55Å; L119-S132 WeakPolarHBondContact CA-O 3.24Å; Y120-S132 PolarHBondContact N-O 2.77Å; Y120-S132 PolarHBondContact O-N 3.38Å; S132-K134 VanDerWaalsContact C-N 3.25Å; S132-K134 PolarHBondContact O-N 3.28Å; S132-K134 PolarHBondContact OG-N 3.34Å; S132-K134 PolarHBondContact OG-O 3.27Å; S132-C139 VanDerWaalsContact CB-SG 3.59Å
133E98.4Very high98.6Very high163 Ų16356.4 Ų56.476%0.76228%0.282SS*.SBendtrans-67-29172.8-65.8-179.717500112.6L119L119-E133 HydrophobicContact CD2-CB 4.3Å; L119-E133 HydrophobicContact CD2-CG 3.74Å
134K98Very high98.5Very high160 Ų16060.4 Ų60.470%0.69630%0.3SS*.SBendtrans-116.4140.2-175.3-64.1-179.9-176.6175.40110.7S132 S136S132-K134 VanDerWaalsContact C-N 3.25Å; S132-K134 PolarHBondContact O-N 3.28Å; S132-K134 PolarHBondContact OG-N 3.34Å; S132-K134 PolarHBondContact OG-O 3.27Å; K134-S136 PolarHBondContact O-N 3.45Å; K134-S136 VanDerWaalsContact O-N 3.13Å
135L98.2Very high98.3Very high85 Ų8565.2 Ų65.245%0.44532%0.32SS..  trans-67.2111.1169.6179.861.9000109.2I105 S111 Y120 C139I105-L135 HydrophobicContact CD1-CD2 4.36Å; S111-L135 WeakPolarHBondContact OG-CD1 3.39Å; Y120-L135 HydrophobicContact CD1-CB 4.33Å; Y120-L135 HydrophobicContact CD1-CD1 3.92Å; Y120-L135 HydrophobicContact CD2-CB 4.31Å; Y120-L135 HydrophobicContact CE1-CB 4.08Å; Y120-L135 HydrophobicContact CE1-CD1 4.14Å; Y120-L135 HydrophobicContact CE2-CB 4.08Å; Y120-L135 HydrophobicContact CG-CB 4.43Å; Y120-L135 HydrophobicContact CG-CD1 4.43Å; L135-C139 HydrophobicContact CD1-CB 3.87Å
136S98.4Very high97.8Very high46 Ų4662.3 Ų62.332%0.32230%0.304SS..  trans-122.4175.3179.575.50000111.2K134 E138 C139K134-S136 PolarHBondContact O-N 3.45Å; K134-S136 VanDerWaalsContact O-N 3.13Å; S136-E138 PolarHBondContact O-N 2.79Å; S136-E138 PolarHBondContact OG-N 3.42Å; S136-C139 WeakPolarHBondContact O-CB 3.45Å; S136-C139 PolarHBondContact O-N 3.25Å; S136-C139 PolarHBondContact OG-SG 3.37Å; S136-C139 VanDerWaalsContact OG-SG 3.39Å
137A98.6Very high97.1Very high62 Ų6263.1 Ų63.151%0.51231%0.309SS..G310 helixtrans-60.9-28.517500000113.1C139 V140 L157A137-C139 PolarHBondContact O-N 2.94Å; A137-V140 PolarHBondContact O-N 3.11Å; A137-L157 HydrophobicContact CB-CD2 4.1Å
138E98.8Very high96.3Very high39 Ų3968.8 Ų68.818%0.18234%0.34CS..G310 helixtrans-70.1-15.9174.8-63.3-164.8147.800113G122 M123 N124 Y130 S136 L157 Y158G122-E138 WeakPolarHBondContact CA-O 3.36Å; M123-E138 PolarHBondContact N-O 2.75Å; M123-E138 WeakPolarHBondContact O-CB 3.36Å; N124-E138 WeakPolarHBondContact CA-OE1 3.35Å; Y130-E138 WeakPolarHBondContact CE1-OE2 3.4Å; Y130-E138 VanDerWaalsContact CZ-OE2 3.31Å; Y130-E138 PolarHBondContact OH-OE2 3.13Å; S136-E138 PolarHBondContact O-N 2.79Å; S136-E138 PolarHBondContact OG-N 3.42Å; E138-L157 HydrophobicContact CG-CD2 4.12Å; E138-Y158 HydrophobicContact CG-CE2 3.85Å; E138-Y158 PolarHBondContact OE1-OH 3.28Å
139C98.9Very high95.7Very high0 Ų073.4 Ų73.40%035%0.353CS..G310 helixtrans-94.57.8-179.3-56.30000113.3S111 L121 S132 L135 S136 A137S111-C139 WeakPolarHBondContact CA-O 3.46Å; S111-C139 WeakPolarHBondContact CB-O 3.49Å; S111-C139 PolarHBondContact OG-O 2.94Å; L121-C139 VanDerWaalsContact O-CA 3.25Å; L121-C139 WeakPolarHBondContact O-CA 3.23Å; L121-C139 WeakPolarHBondContact O-CB 3.46Å; S132-C139 VanDerWaalsContact CB-SG 3.59Å; L135-C139 HydrophobicContact CD1-CB 3.87Å; S136-C139 WeakPolarHBondContact O-CB 3.45Å; S136-C139 PolarHBondContact O-N 3.25Å; S136-C139 PolarHBondContact OG-SG 3.37Å; S136-C139 VanDerWaalsContact OG-SG 3.39Å; A137-C139 PolarHBondContact O-N 2.94Å
140V98.8Very high95.5Very high18 Ų1873.1 Ų73.111%0.10935%0.351CS..  trans-108121.2-178-176.50000109.9L109 A137 N156L109-V140 HydrophobicContact CB-CG1 4.18Å; L109-V140 HydrophobicContact CD1-CG1 4.44Å; A137-V140 PolarHBondContact O-N 3.11Å; V140-N156 HydrophobicContact CB-CB 4.32Å; V140-N156 HydrophobicContact CG1-CB 4.06Å; V140-N156 VanDerWaalsContact O-CB 3.23Å; V140-N156 WeakPolarHBondContact O-CB 3.45Å; V140-N156 PolarHBondContact O-N 2.94Å
141F98.9Very high95.5Very high0 Ų071.2 Ų71.20%035%0.345CS..EExtended strand (participates in β ladder)trans-115.9144.2-178.8-56.6-82.9000111.3L109 I110 L121 M123 S154 V169L109-F141 CarbonylContact C-O 3.51Å; L109-F141 WeakPolarHBondContact CA-O 3.24Å; I110-F141 HydrophobicContact CG1-CB 4.47Å; I110-F141 PolarHBondContact N-O 3.02Å; I110-F141 PolarHBondContact O-N 3.01Å; L121-F141 HydrophobicContact CB-CE2 4.07Å; L121-F141 HydrophobicContact CB-CZ 4.46Å; L121-F141 HydrophobicContact CD2-CE2 4.03Å; L121-F141 HydrophobicContact CD2-CZ 4.12Å; L121-F141 HydrophobicContact CG-CE2 3.88Å; L121-F141 HydrophobicContact CG-CZ 3.84Å; L121-F141 VanDerWaalsContact O-CE2 3.24Å; L121-F141 WeakPolarHBondContact O-CE2 3.32Å; M123-F141 HydrophobicContact CB-CE1 3.98Å; M123-F141 HydrophobicContact CB-CZ 4.32Å; M123-F141 HydrophobicContact CE-CE1 4.4Å; F141-S154 CarbonylContact C-O 3.46Å; F141-S154 VanDerWaalsContact CA-O 3.25Å; F141-S154 WeakPolarHBondContact CA-O 3.32Å; F141-V169 HydrophobicContact CD1-CG2 3.71Å; F141-V169 HydrophobicContact CE1-CG2 3.58Å; F141-V169 HydrophobicContact CG-CG2 4.46Å; F141-V169 HydrophobicContact CZ-CG2 4.24Å
142R98.6Very high95.4Very high86 Ų8670.6 Ų70.633%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-79.7114.7165-74.3168.5-178.3-108.6-2.8108.9G108 L109 Y153 S154 N156 R166G108-R142 CarbonylContact O-C 3.6Å; G108-R142 WeakPolarHBondContact O-CA 3.12Å; L109-R142 HydrophobicContact CD2-CB 4.26Å; L109-R142 HydrophobicContact CD2-CG 3.33Å; R142-Y153 WeakPolarHBondContact O-CA 3.49Å; R142-S154 PolarHBondContact N-O 3.19Å; R142-S154 PolarHBondContact O-N 2.95Å; R142-N156 PolarHBondContact NE-OD1 2.8Å; R142-N156 PolarHBondContact NH2-OD1 3.35Å; R142-R166 VanDerWaalsContact CD-CZ 3.43Å
143E98Very high95.4Very high58 Ų5869.9 Ų69.927%0.27133%0.333SS..EExtended strand (participates in β ladder)trans-87124.4169.7178.2176.2-126.600108.8G108 I110 N151 T152 Y153G108-E143 PolarHBondContact O-N 2.95Å; I110-E143 HydrophobicContact CD1-CB 4.31Å; I110-E143 HydrophobicContact CG1-CB 4.27Å; I110-E143 HydrophobicContact CG2-CB 4.33Å; E143-N151 HydrophobicContact CG-CB 4.31Å; E143-N151 PolarHBondContact OE1-ND2 2.95Å; E143-T152 WeakPolarHBondContact CA-O 3.39Å; E143-Y153 HydrophobicContact CB-CD1 4.04Å; E143-Y153 HydrophobicContact CB-CE1 3.82Å; E143-Y153 HydrophobicContact CG-CD1 4.26Å; E143-Y153 HydrophobicContact CG-CE1 3.61Å; E143-Y153 WeakPolarHBondContact OE1-CE1 3.27Å; E143-Y153 PolarHBondContact OE1-OH 3.26Å
144Q96.7Very high95.5Very high84 Ų8462.1 Ų62.139%0.39330%0.297SS..EExtended strand (participates in β ladder)trans-134.8132.7176-67.6-179.1-68.100110N151 T152Q144-N151 CarbonylContact O-C 3.58Å; Q144-N151 VanDerWaalsContact O-CA 3.3Å; Q144-N151 WeakPolarHBondContact O-CA 3.34Å; Q144-T152 PolarHBondContact N-O 2.78Å; Q144-T152 PolarHBondContact O-N 3.01Å; Q144-T152 PolarHBondContact O-OG1 2.86Å
145F93.6Very high95.5Very high130 Ų13054.5 Ų54.557%0.5726%0.264SS*.EExtended strand (participates in β ladder)trans-63.1137.4173.8-166.6-99.9000110W149F145-W149 HydrophobicContact CE2-CD2 4.42Å; F145-W149 AromaticContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CZ3 4.34Å; F145-W149 HydrophobicContact CZ-CD2 4.15Å; F145-W149 AromaticContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CZ3 4.28Å
146E89.2Confident95.5Very high36 Ų3653 Ų5317%0.16826%0.256CS..  trans-122.7172.7175.3-156.964.3-128.500108.1Y150 T152 R185E146-Y150 CarbonylContact C-O 3.54Å; E146-Y150 WeakPolarHBondContact CA-O 3.31Å; E146-Y150 VanDerWaalsContact CB-O 3.27Å; E146-Y150 WeakPolarHBondContact CB-O 3.23Å; E146-Y150 PolarHBondContact N-O 3.02Å; E146-T152 HydrophobicContact CB-CG2 4.38Å; E146-T152 HydrophobicContact CG-CG2 4.31Å; E146-R185 WeakPolarHBondContact OE2-CD 3.3Å; E146-R185 WeakPolarHBondContact OE2-CG 3.48Å; E146-R185 IonicContact OE2-CZ 2.72Å; E146-R185 IonicContact OE2-NH1 3.63Å; E146-R185 PolarHBondContact OE2-NH1 3.44Å
147E82.9Confident95.5Very high148 Ų14854.7 Ų54.769%0.69226%0.262SS*.G310 helixtrans-58.3153.3179.7-61.4176.2-179.400112.7W149 Y150E147-W149 VanDerWaalsContact C-N 3.34Å; E147-W149 PolarHBondContact O-N 2.99Å; E147-Y150 PolarHBondContact O-N 2.76Å
148N81.5Confident95.5Very high120 Ų12054.3 Ų54.364%0.64225%0.247SC*.G310 helixtrans59.734.7175.4-53.9-64.1000115.2Y150N148-Y150 HydrophobicContact CB-CD2 4.37Å; N148-Y150 WeakPolarHBondContact O-CD2 3.46Å; N148-Y150 PolarHBondContact O-N 2.79Å
149W86.3Confident95.4Very high198 Ų19856.3 Ų56.375%0.7526%0.255SS*.G310 helixtrans68.812.2176.7-50.297.6000115.4F145 E147 L193F145-W149 HydrophobicContact CE2-CD2 4.42Å; F145-W149 AromaticContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CZ3 4.34Å; F145-W149 HydrophobicContact CZ-CD2 4.15Å; F145-W149 AromaticContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CZ3 4.28Å; E147-W149 VanDerWaalsContact C-N 3.34Å; E147-W149 PolarHBondContact O-N 2.99Å; W149-L193 HydrophobicContact CB-CD1 4.32Å; W149-L193 WeakPolarHBondContact O-CD1 3.5Å
150Y95.8Very high95.2Very high14 Ų1459.5 Ų59.56%0.05527%0.27CS..  trans-82.8151.1169.9-76.9-94.6000110.1R74 E146 E147 N148 H191 F192 L193R74-Y150 HydrophobicContact CB-CD1 4.39Å; R74-Y150 HydrophobicContact CB-CE1 3.88Å; R74-Y150 WeakPolarHBondContact CD-OH 3.3Å; R74-Y150 HydrophobicContact CG-CE1 4.4Å; R74-Y150 VanDerWaalsContact NH1-CE2 3.28Å; R74-Y150 PolarHBondContact NH1-OH 2.81Å; E146-Y150 CarbonylContact C-O 3.54Å; E146-Y150 WeakPolarHBondContact CA-O 3.31Å; E146-Y150 VanDerWaalsContact CB-O 3.27Å; E146-Y150 WeakPolarHBondContact CB-O 3.23Å; E146-Y150 PolarHBondContact N-O 3.02Å; E147-Y150 PolarHBondContact O-N 2.76Å; N148-Y150 HydrophobicContact CB-CD2 4.37Å; N148-Y150 WeakPolarHBondContact O-CD2 3.46Å; N148-Y150 PolarHBondContact O-N 2.79Å; Y150-H191 HydrophobicContact CD1-CB 3.71Å; Y150-H191 HydrophobicContact CG-CB 4Å; Y150-F192 VanDerWaalsContact CD1-C 3.48Å; Y150-L193 HydrophobicContact CD1-CB 3.94Å; Y150-L193 HydrophobicContact CE1-CB 3.63Å
151N97.6Very high94.9Very high20 Ų2061.2 Ų61.211%0.10729%0.291CS..EExtended strand (participates in β ladder)trans-110.4158.7167.9-66.6-13.8000109.5E143 Q144 Y153 F192E143-N151 HydrophobicContact CG-CB 4.31Å; E143-N151 PolarHBondContact OE1-ND2 2.95Å; Q144-N151 CarbonylContact O-C 3.58Å; Q144-N151 VanDerWaalsContact O-CA 3.3Å; Q144-N151 WeakPolarHBondContact O-CA 3.34Å; N151-Y153 HydrophobicContact CB-CE1 4.44Å; N151-Y153 HydrophobicContact CB-CE2 3.96Å; N151-Y153 PolarHBondContact ND2-OH 2.79Å; N151-F192 PolarHBondContact N-O 3.43Å; N151-F192 PolarHBondContact O-N 2.75Å
152T98.4Very high94.1Very high0 Ų068.1 Ų68.10%033%0.328CS..EExtended strand (participates in β ladder)trans-112.5146.3163.952.20000109.3E143 Q144 E146 F168 R185E143-T152 WeakPolarHBondContact CA-O 3.39Å; Q144-T152 PolarHBondContact N-O 2.78Å; Q144-T152 PolarHBondContact O-N 3.01Å; Q144-T152 PolarHBondContact O-OG1 2.86Å; E146-T152 HydrophobicContact CB-CG2 4.38Å; E146-T152 HydrophobicContact CG-CG2 4.31Å; T152-F168 HydrophobicContact CG2-CE1 4.47Å; T152-R185 HydrophobicContact CG2-CG 4.33Å; T152-R185 PolarHBondContact OG1-NH1 2.91Å
153Y98.8Very high93.4Very high1 Ų174.1 Ų74.10%0.00436%0.357CS..EExtended strand (participates in β ladder)trans-122.6114.5176.9-56.8-81.1000108.4L71 F102 I110 I112 R142 E143 N151 F168 V169 F192 P194L71-Y153 HydrophobicContact CD1-CE2 3.74Å; L71-Y153 HydrophobicContact CD2-CD2 4.19Å; L71-Y153 HydrophobicContact CD2-CE2 3.91Å; L71-Y153 HydrophobicContact CG-CE2 4.29Å; F102-Y153 HydrophobicContact CE1-CE1 4.06Å; I110-Y153 HydrophobicContact CD1-CD1 3.66Å; I110-Y153 HydrophobicContact CD1-CE1 3.36Å; I110-Y153 HydrophobicContact CG1-CD1 4.29Å; I110-Y153 HydrophobicContact CG1-CE1 4.37Å; I112-Y153 HydrophobicContact CD1-CD1 4.43Å; R142-Y153 WeakPolarHBondContact O-CA 3.49Å; E143-Y153 HydrophobicContact CB-CD1 4.04Å; E143-Y153 HydrophobicContact CB-CE1 3.82Å; E143-Y153 HydrophobicContact CG-CD1 4.26Å; E143-Y153 HydrophobicContact CG-CE1 3.61Å; E143-Y153 WeakPolarHBondContact OE1-CE1 3.27Å; E143-Y153 PolarHBondContact OE1-OH 3.26Å; N151-Y153 HydrophobicContact CB-CE1 4.44Å; N151-Y153 HydrophobicContact CB-CE2 3.96Å; N151-Y153 PolarHBondContact ND2-OH 2.79Å; Y153-F168 WeakPolarHBondContact O-CA 3.31Å; Y153-V169 PolarHBondContact O-N 3.13Å; Y153-F192 HydrophobicContact CD2-CB 4.13Å; Y153-F192 HydrophobicContact CD2-CD2 4.18Å; Y153-F192 HydrophobicContact CD2-CG 4.39Å; Y153-F192 HydrophobicContact CE2-CB 3.71Å; Y153-F192 HydrophobicContact CE2-CG 4.4Å; Y153-P194 WeakPolarHBondContact OH-CG 3.32Å
154S98.8Very high92.9Very high0 Ų073 Ų730%036%0.361CS..EExtended strand (participates in β ladder)trans-117.4146.7179.661.80000111.6F141 R142 N156 R166 Y167F141-S154 CarbonylContact C-O 3.46Å; F141-S154 VanDerWaalsContact CA-O 3.25Å; F141-S154 WeakPolarHBondContact CA-O 3.32Å; R142-S154 PolarHBondContact N-O 3.19Å; R142-S154 PolarHBondContact O-N 2.95Å; S154-N156 PolarHBondContact O-N 2.79Å; S154-R166 WeakPolarHBondContact OG-CD 3.49Å; S154-Y167 CarbonylContact C-O 3.52Å; S154-Y167 WeakPolarHBondContact CA-O 3.2Å; S154-Y167 VanDerWaalsContact CB-O 3.24Å; S154-Y167 WeakPolarHBondContact CB-O 3.17Å
155S98.7Very high92.8Very high0 Ų072.1 Ų72.10%036%0.361CS..EExtended strand (participates in β ladder)trans-54.9129.9176.2-1790000109.7L157 Y158 R166 Y167S155-L157 PolarHBondContact OG-N 2.84Å; S155-Y158 PolarHBondContact OG-N 2.74Å; S155-R166 PolarHBondContact O-NH1 3.47Å; S155-Y167 PolarHBondContact N-O 2.93Å
156N98.3Very high93Very high52 Ų5268.6 Ų68.628%0.27834%0.344SS..EExtended strand (participates in β ladder)trans-69.9-30.9171.6-173.547.5000110.9L109 V140 R142 S154 R166L109-N156 HydrophobicContact CD2-CB 4.45Å; V140-N156 HydrophobicContact CB-CB 4.32Å; V140-N156 HydrophobicContact CG1-CB 4.06Å; V140-N156 VanDerWaalsContact O-CB 3.23Å; V140-N156 WeakPolarHBondContact O-CB 3.45Å; V140-N156 PolarHBondContact O-N 2.94Å; R142-N156 PolarHBondContact NE-OD1 2.8Å; R142-N156 PolarHBondContact NH2-OD1 3.35Å; S154-N156 PolarHBondContact O-N 2.79Å; N156-R166 PolarHBondContact O-NH1 3.17Å
157L98Very high93.5Very high83 Ų8368.3 Ų68.344%0.43534%0.342SS..EExtended strand (participates in β ladder)trans-87.5-47.5-174.3-173.857.7000113A137 E138 S155A137-L157 HydrophobicContact CB-CD2 4.1Å; E138-L157 HydrophobicContact CG-CD2 4.12Å; S155-L157 PolarHBondContact OG-N 2.84Å
158Y98.4Very high94.2Very high53 Ų5361.7 Ų61.721%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-103.1138.4-168.6-57.9-59.7000114.4M123 N124 D125 E138 S155 Y167M123-Y158 WeakPolarHBondContact O-CD2 3.22Å; M123-Y158 VanDerWaalsContact O-CE2 3.27Å; M123-Y158 WeakPolarHBondContact O-CE2 3.45Å; N124-Y158 WeakPolarHBondContact O-CD2 3.45Å; D125-Y158 HydrophobicContact CB-CD1 4.32Å; D125-Y158 HydrophobicContact CB-CE1 3.75Å; D125-Y158 HydrophobicContact CB-CE2 4.43Å; E138-Y158 HydrophobicContact CG-CE2 3.85Å; E138-Y158 PolarHBondContact OE1-OH 3.28Å; S155-Y158 PolarHBondContact OG-N 2.74Å; Y158-Y167 VanDerWaalsContact CB-CD2 3.49Å; Y158-Y167 HydrophobicContact CG-CD2 4.47Å; Y158-Y167 PolarHBondContact O-N 3.19Å
159K97.4Very high95Very high81 Ų8156 Ų5635%0.35228%0.28SS..EExtended strand (participates in β ladder)trans-157.9162.4177.756.3172.5-179.7-178.70110.2G161 D162 T165 R166K159-G161 WeakPolarHBondContact CD-O 3.24Å; K159-G161 WeakPolarHBondContact CE-O 3.47Å; K159-G161 WeakPolarHBondContact CG-O 3.27Å; K159-G161 PolarHBondContact O-N 2.9Å; K159-D162 WeakPolarHBondContact CE-O 3.43Å; K159-D162 PolarHBondContact NZ-O 3.06Å; K159-T165 WeakPolarHBondContact CA-O 3.25Å; K159-R166 HydrophobicContact CB-CG 4.25Å
160H95.1Very high95.6Very high67 Ų6746.5 Ų46.531%0.3124%0.244SC..SBendtrans-71.194.8174.7-75.6-70.6000111.3G164 T165 Y167 T181H160-G164 WeakPolarHBondContact O-CA 3.35Å; H160-G164 PolarHBondContact O-N 3.14Å; H160-T165 PolarHBondContact CD2-O 3.46Å; H160-T165 PolarHBondContact CD2-OG1 3.3Å; H160-T165 PolarHBondContact N-O 3.23Å; H160-Y167 AromaticContact CD2-CD1 3.93Å; H160-Y167 AromaticContact CD2-CE1 3.48Å; H160-Y167 VanDerWaalsContact CD2-CE1 3.48Å; H160-Y167 WeakPolarHBondContact CD2-CE1 3.38Å; H160-Y167 AromaticContact CE1-CE1 3.65Å; H160-Y167 AromaticContact CG-CE1 3.8Å; H160-Y167 AromaticContact ND1-CE1 3.9Å; H160-Y167 AromaticContact NE2-CD1 3.89Å; H160-Y167 AromaticContact NE2-CE1 3.39Å; H160-Y167 WeakPolarHBondContact NE2-CE1 3.06Å; H160-T181 PolarHBondContact NE2-O 3.08Å
161G91Very high95.8Very high54 Ų5445.9 Ų45.956%0.55724%0.242SC*.THydrogen-bonded Turntrans59.4-172.6-178.200000113.8K159 K163K159-G161 WeakPolarHBondContact CD-O 3.24Å; K159-G161 WeakPolarHBondContact CE-O 3.47Å; K159-G161 WeakPolarHBondContact CG-O 3.27Å; K159-G161 PolarHBondContact O-N 2.9Å; G161-K163 PolarHBondContact O-N 3.16Å
162D83.2Confident95.8Very high146 Ų14646.5 Ų46.578%0.78125%0.245SC*.THydrogen-bonded Turntrans-69.6-31-170.8-66.1-34.8000114.2K159K159-D162 WeakPolarHBondContact CE-O 3.43Å; K159-D162 PolarHBondContact NZ-O 3.06Å
163K83.3Confident95.8Very high211 Ų21155.1 Ų55.192%0.91728%0.283SS*.THydrogen-bonded Turntrans-114.11.1-176.8-64.9-175.1-179.3179.40114.2G161G161-K163 PolarHBondContact O-N 3.16Å
164G88Confident95.8Very high35 Ų3560.2 Ų60.236%0.36131%0.31SS..SBendtrans-90.2-174.3-173.200000114.5H160H160-G164 WeakPolarHBondContact O-CA 3.35Å; H160-G164 PolarHBondContact O-N 3.14Å
165T95Very high95.8Very high65 Ų6560.3 Ų60.340%0.39931%0.311SS..PPolyproline II helixtrans-72.3141.4-172.9560000111.4K159 H160 R184K159-T165 WeakPolarHBondContact CA-O 3.25Å; H160-T165 PolarHBondContact CD2-O 3.46Å; H160-T165 PolarHBondContact CD2-OG1 3.3Å; H160-T165 PolarHBondContact N-O 3.23Å; T165-R184 PolarHBondContact OG1-NE 3.36Å
166R97.4Very high95.8Very high57 Ų5763.5 Ų63.522%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-66.4159.4174.6-62.1-165.3172.6-101.2-5.2112.3R142 S154 S155 N156 K159 F168R142-R166 VanDerWaalsContact CD-CZ 3.43Å; S154-R166 WeakPolarHBondContact OG-CD 3.49Å; S155-R166 PolarHBondContact O-NH1 3.47Å; N156-R166 PolarHBondContact O-NH1 3.17Å; K159-R166 HydrophobicContact CB-CG 4.25Å; R166-F168 HydrophobicContact CB-CE2 4.22Å; R166-F168 WeakPolarHBondContact O-CD2 3.28Å; R166-F168 VanDerWaalsContact O-CE2 3.22Å; R166-F168 WeakPolarHBondContact O-CE2 3.48Å
167Y98.6Very high95.8Very high29 Ų2962.8 Ų62.811%0.11433%0.332CS..EExtended strand (participates in β ladder)trans-83.8140.2170.2-60.8-4.2000109.4M123 S154 S155 Y158 H160 G180 T181M123-Y167 WeakPolarHBondContact SD-CB 3.36Å; M123-Y167 HydrophobicContact SD-CD2 4.41Å; M123-Y167 HydrophobicContact SD-CG 4.49Å; S154-Y167 CarbonylContact C-O 3.52Å; S154-Y167 WeakPolarHBondContact CA-O 3.2Å; S154-Y167 VanDerWaalsContact CB-O 3.24Å; S154-Y167 WeakPolarHBondContact CB-O 3.17Å; S155-Y167 PolarHBondContact N-O 2.93Å; Y158-Y167 VanDerWaalsContact CB-CD2 3.49Å; Y158-Y167 HydrophobicContact CG-CD2 4.47Å; Y158-Y167 PolarHBondContact O-N 3.19Å; H160-Y167 AromaticContact CD2-CD1 3.93Å; H160-Y167 AromaticContact CD2-CE1 3.48Å; H160-Y167 VanDerWaalsContact CD2-CE1 3.48Å; H160-Y167 WeakPolarHBondContact CD2-CE1 3.38Å; H160-Y167 AromaticContact CE1-CE1 3.65Å; H160-Y167 AromaticContact CG-CE1 3.8Å; H160-Y167 AromaticContact ND1-CE1 3.9Å; H160-Y167 AromaticContact NE2-CD1 3.89Å; H160-Y167 AromaticContact NE2-CE1 3.39Å; H160-Y167 WeakPolarHBondContact NE2-CE1 3.06Å; Y167-G180 WeakPolarHBondContact CA-O 3.32Å; Y167-T181 HydrophobicContact CD1-CG2 4.5Å; Y167-T181 HydrophobicContact CD2-CG2 4.02Å; Y167-T181 HydrophobicContact CE1-CG2 4.14Å; Y167-T181 HydrophobicContact CE2-CG2 3.6Å; Y167-T181 HydrophobicContact CG-CG2 4.47Å
168F98.8Very high95.9Very high9 Ų962.1 Ų62.14%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-118.1139-173.2-73.5-95.6000111.5M123 T152 Y153 R166 A170 G180 R185 T190M123-F168 VanDerWaalsContact CE-C 3.46Å; M123-F168 WeakPolarHBondContact CE-O 3.41Å; T152-F168 HydrophobicContact CG2-CE1 4.47Å; Y153-F168 WeakPolarHBondContact O-CA 3.31Å; R166-F168 HydrophobicContact CB-CE2 4.22Å; R166-F168 WeakPolarHBondContact O-CD2 3.28Å; R166-F168 VanDerWaalsContact O-CE2 3.22Å; R166-F168 WeakPolarHBondContact O-CE2 3.48Å; F168-A170 PolarHBondContact O-N 2.86Å; F168-G180 PolarHBondContact N-O 3.31Å; F168-G180 VanDerWaalsContact O-CA 3.3Å; F168-G180 WeakPolarHBondContact O-CA 3.5Å; F168-R185 HydrophobicContact CE1-CB 4.07Å; F168-R185 HydrophobicContact CE2-CB 4.42Å; F168-R185 HydrophobicContact CZ-CB 3.78Å; F168-T190 HydrophobicContact CB-CG2 3.68Å; F168-T190 HydrophobicContact CG-CG2 4.2Å
169V98.9Very high95.9Very high0 Ų061.6 Ų61.60%033%0.325CS..  trans-59.5133.5164.4179.40000107.1L79 L121 M123 L129 F141 Y153 F192L79-V169 HydrophobicContact CD1-CG1 3.89Å; L121-V169 HydrophobicContact CD2-CG1 4.25Å; L121-V169 HydrophobicContact CD2-CG2 4.22Å; M123-V169 HydrophobicContact CE-CG2 4.09Å; L129-V169 HydrophobicContact CD1-CG1 3.88Å; L129-V169 HydrophobicContact CD2-CG1 4.44Å; L129-V169 HydrophobicContact CD2-CG2 4.14Å; F141-V169 HydrophobicContact CD1-CG2 3.71Å; F141-V169 HydrophobicContact CE1-CG2 3.58Å; F141-V169 HydrophobicContact CG-CG2 4.46Å; F141-V169 HydrophobicContact CZ-CG2 4.24Å; Y153-V169 PolarHBondContact O-N 3.13Å; V169-F192 HydrophobicContact CB-CE2 4.41Å; V169-F192 HydrophobicContact CG1-CE2 4.02Å; V169-F192 HydrophobicContact CG1-CZ 3.96Å; V169-F192 WeakPolarHBondContact O-CE2 3.31Å
170A98.9Very high95.9Very high0 Ų057.8 Ų57.80%031%0.308CS..  trans-156.7148.9-178.100000112.9F168 R178 S183 F189 T190F168-A170 PolarHBondContact O-N 2.86Å; A170-R178 HydrophobicContact CB-CB 3.8Å; A170-R178 HydrophobicContact CB-CG 4.32Å; A170-R178 PolarHBondContact O-N 2.96Å; A170-S183 WeakPolarHBondContact CB-OG 3.46Å; A170-F189 WeakPolarHBondContact CA-O 3.45Å; A170-F189 HydrophobicContact CB-CB 4.47Å; A170-F189 HydrophobicContact CB-CD2 3.77Å; A170-F189 WeakPolarHBondContact CB-O 3.33Å; A170-T190 HydrophobicContact CB-CG2 4.24Å
171L98.9Very high96.1Very high0 Ų055.9 Ų55.90%030%0.301CS..BIsolated β-bridgetrans-120.9131.5170.7-63.8179.6000110C73 T75 F77 L79 T176 F189 F192C73-L171 HydrophobicContact CB-CB 4.24Å; C73-L171 HydrophobicContact CB-CD1 4.01Å; C73-L171 HydrophobicContact CB-CG 4.46Å; T75-L171 WeakPolarHBondContact CG2-O 3.34Å; T75-L171 PolarHBondContact OG1-O 3.5Å; F77-L171 HydrophobicContact CB-CD1 4.07Å; L79-L171 HydrophobicContact CB-CD1 4.22Å; L171-T176 WeakPolarHBondContact CA-O 3.37Å; L171-F189 PolarHBondContact N-O 3.13Å; L171-F189 WeakPolarHBondContact O-CB 3.35Å; L171-F192 HydrophobicContact CD1-CE1 4.06Å; L171-F192 HydrophobicContact CG-CE1 4.11Å; L171-F192 HydrophobicContact CG-CZ 4.08Å
172N98.7Very high96.4Very high34 Ų3459.4 Ų59.418%0.18230%0.301CS..  trans-65.1172.1175-72-45.7000111.7T75 D174 G175 T176 R178T75-N172 PolarHBondContact OG1-O 2.78Å; N172-D174 WeakPolarHBondContact CB-OD1 3.5Å; N172-D174 PolarHBondContact O-N 3.44Å; N172-G175 PolarHBondContact O-N 2.78Å; N172-G175 VanDerWaalsContact O-N 3.11Å; N172-T176 WeakPolarHBondContact CB-OG1 3.04Å; N172-T176 PolarHBondContact N-O 3.4Å; N172-T176 PolarHBondContact ND2-OG1 3.14Å; N172-R178 VanDerWaalsContact OD1-CD 3.31Å; N172-R178 WeakPolarHBondContact OD1-CD 3.48Å; N172-R178 WeakPolarHBondContact OD1-CG 3.26Å; N172-R178 PolarHBondContact OD1-NH1 3.02Å
173K98.4Very high97.1Very high180 Ų18052.5 Ų52.578%0.78326%0.264SS*.THydrogen-bonded Turntrans-69.5-15.7178.3-68-176.8179.8178.40113.8T75 F77T75-K173 HydrophobicContact CG2-CG 4.33Å; F77-K173 VanDerWaalsContact CE2-O 3.22Å; F77-K173 WeakPolarHBondContact CE2-O 3.41Å; F77-K173 WeakPolarHBondContact CZ-O 3.37Å
174D98.4Very high97.8Very high108 Ų10846 Ų4658%0.57823%0.234SC*.THydrogen-bonded Turntrans-93.1-1.5173.761.23000112.6F77 N172 T176F77-D174 VanDerWaalsContact CZ-C 3.48Å; N172-D174 WeakPolarHBondContact CB-OD1 3.5Å; N172-D174 PolarHBondContact O-N 3.44Å; D174-T176 WeakPolarHBondContact OD1-CB 3.31Å; D174-T176 PolarHBondContact OD1-N 2.72Å; D174-T176 PolarHBondContact OD1-OG1 3.3Å; D174-T176 PolarHBondContact OD2-OG1 3.32Å
175G98.4Very high98.2Very high3 Ų347.9 Ų47.93%0.03123%0.23CC..SBendtrans89.3-4.7-178.800000114.4G89 N172G89-G175 VanDerWaalsContact CA-O 3.24Å; G89-G175 WeakPolarHBondContact CA-O 3.4Å; G89-G175 PolarHBondContact N-O 2.85Å; N172-G175 PolarHBondContact O-N 2.78Å; N172-G175 VanDerWaalsContact O-N 3.11Å
176T98.8Very high98.2Very high66 Ų6651.7 Ų51.741%0.40524%0.243SC..BIsolated β-bridgetrans-70.9148.6177.5600000111.8L171 N172 D174 R178L171-T176 WeakPolarHBondContact CA-O 3.37Å; N172-T176 WeakPolarHBondContact CB-OG1 3.04Å; N172-T176 PolarHBondContact N-O 3.4Å; N172-T176 PolarHBondContact ND2-OG1 3.14Å; D174-T176 WeakPolarHBondContact OD1-CB 3.31Å; D174-T176 PolarHBondContact OD1-N 2.72Å; D174-T176 PolarHBondContact OD1-OG1 3.3Å; D174-T176 PolarHBondContact OD2-OG1 3.32Å; T176-R178 PolarHBondContact O-N 2.94Å
177A98.7Very high98.1Very high37 Ų3751.5 Ų51.531%0.30625%0.245SC..BIsolated β-bridgetrans-60.8133.8171.200000110.4V87 L129V87-A177 WeakPolarHBondContact O-CB 3.41Å; L129-A177 HydrophobicContact CB-CB 4.36Å; L129-A177 HydrophobicContact CD1-CB 4.32Å
178R98.7Very high98Very high70 Ų7057.2 Ų57.226%0.26427%0.27SS..PPolyproline II helixtrans-102.8138.7-178.5-176.2180-178.577.34.2110.6A170 N172 T176 G180 S183 F189A170-R178 HydrophobicContact CB-CB 3.8Å; A170-R178 HydrophobicContact CB-CG 4.32Å; A170-R178 PolarHBondContact O-N 2.96Å; N172-R178 VanDerWaalsContact OD1-CD 3.31Å; N172-R178 WeakPolarHBondContact OD1-CD 3.48Å; N172-R178 WeakPolarHBondContact OD1-CG 3.26Å; N172-R178 PolarHBondContact OD1-NH1 3.02Å; T176-R178 PolarHBondContact O-N 2.94Å; R178-G180 PolarHBondContact O-N 3.19Å; R178-S183 WeakPolarHBondContact CD-OG 3.37Å; R178-F189 VanDerWaalsContact NE-CZ 3.28Å
179D98.4Very high98Very high42 Ų4258.4 Ų58.423%0.22528%0.275CS..PPolyproline II helixtrans-51117.7170.5177.9-13.1000111.7T181 K182 S183D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 VanDerWaalsContact CG-OG1 3.22Å; D179-T181 PolarHBondContact O-N 2.93Å; D179-T181 WeakPolarHBondContact OD1-CA 3.48Å; D179-T181 VanDerWaalsContact OD1-CB 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.47Å; D179-T181 VanDerWaalsContact OD1-CG2 3.31Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.41Å; D179-T181 PolarHBondContact OD1-N 3.17Å; D179-T181 PolarHBondContact OD1-OG1 3.19Å; D179-T181 PolarHBondContact OD2-OG1 3.27Å; D179-K182 HydrophobicContact CB-CD 4.43Å; D179-K182 PolarHBondContact O-N 3.14Å; D179-K182 WeakPolarHBondContact OD2-CE 3.34Å; D179-K182 IonicContact OD2-NZ 3.98Å; D179-K182 PolarHBondContact OD2-NZ 3.44Å; D179-S183 PolarHBondContact O-OG 3.39Å
180G98.5Very high98Very high0 Ų058.4 Ų58.40%028%0.275CS..G310 helixtrans-66-26.4-178.700000113.5G127 Y167 F168 R178 K182 S183G127-G180 PolarHBondContact O-N 3.23Å; Y167-G180 WeakPolarHBondContact CA-O 3.32Å; F168-G180 PolarHBondContact N-O 3.31Å; F168-G180 VanDerWaalsContact O-CA 3.3Å; F168-G180 WeakPolarHBondContact O-CA 3.5Å; R178-G180 PolarHBondContact O-N 3.19Å; G180-K182 PolarHBondContact O-N 2.95Å; G180-S183 PolarHBondContact O-N 2.92Å
181T98.3Very high98Very high28 Ų2859.7 Ų59.717%0.17228%0.281CS..G310 helixtrans-65.9-28.7176.174.80000111.3K126 H160 Y167 D179 R184K126-T181 VanDerWaalsContact O-CG2 3.23Å; K126-T181 WeakPolarHBondContact O-CG2 3.4Å; H160-T181 PolarHBondContact NE2-O 3.08Å; Y167-T181 HydrophobicContact CD1-CG2 4.5Å; Y167-T181 HydrophobicContact CD2-CG2 4.02Å; Y167-T181 HydrophobicContact CE1-CG2 4.14Å; Y167-T181 HydrophobicContact CE2-CG2 3.6Å; Y167-T181 HydrophobicContact CG-CG2 4.47Å; D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 VanDerWaalsContact CG-OG1 3.22Å; D179-T181 PolarHBondContact O-N 2.93Å; D179-T181 WeakPolarHBondContact OD1-CA 3.48Å; D179-T181 VanDerWaalsContact OD1-CB 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.47Å; D179-T181 VanDerWaalsContact OD1-CG2 3.31Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.41Å; D179-T181 PolarHBondContact OD1-N 3.17Å; D179-T181 PolarHBondContact OD1-OG1 3.19Å; D179-T181 PolarHBondContact OD2-OG1 3.27Å; T181-R184 PolarHBondContact O-NH1 2.81Å
182K97.9Very high98Very high128 Ų12859.7 Ų59.756%0.55728%0.281SS*.G310 helixtrans-99.110.2-178.4-63.5179.4-176.6113.40113.4D179 G180D179-K182 HydrophobicContact CB-CD 4.43Å; D179-K182 PolarHBondContact O-N 3.14Å; D179-K182 WeakPolarHBondContact OD2-CE 3.34Å; D179-K182 IonicContact OD2-NZ 3.98Å; D179-K182 PolarHBondContact OD2-NZ 3.44Å; G180-K182 PolarHBondContact O-N 2.95Å
183S98.1Very high97.9Very high0 Ų060.4 Ų60.40%029%0.285CS..  trans-111.3138.8-175.9-62.20000111.3A170 R178 D179 G180A170-S183 WeakPolarHBondContact CB-OG 3.46Å; R178-S183 WeakPolarHBondContact CD-OG 3.37Å; D179-S183 PolarHBondContact O-OG 3.39Å; G180-S183 PolarHBondContact O-N 2.92Å
184R97.1Very high97.9Very high75 Ų7553.8 Ų53.828%0.28326%0.26SS..  trans-132.1145.9-176-59.3-67.4179.2-86.10.4110.5T165 T181 H186 Q187 T190T165-R184 PolarHBondContact OG1-NE 3.36Å; T181-R184 PolarHBondContact O-NH1 2.81Å; R184-H186 VanDerWaalsContact C-N 3.31Å; R184-H186 PolarHBondContact O-N 3.12Å; R184-H186 VanDerWaalsContact O-N 3.13Å; R184-Q187 HydrophobicContact CB-CG 4.14Å; R184-Q187 VanDerWaalsContact O-CB 3.32Å; R184-Q187 WeakPolarHBondContact O-CB 3.38Å; R184-Q187 PolarHBondContact O-N 3.4Å; R184-T190 VanDerWaalsContact O-CG2 3.31Å; R184-T190 WeakPolarHBondContact O-CG2 3.19Å; R184-T190 PolarHBondContact O-OG1 2.93Å
185R96.3Very high97.8Very high75 Ų7552.1 Ų52.128%0.28325%0.246SC..THydrogen-bonded Turntrans-43.3-47.5-178.2177.1179.7-63.9-69-13.8115.1E146 T152 F168 Q187 T190 H191E146-R185 WeakPolarHBondContact OE2-CD 3.3Å; E146-R185 WeakPolarHBondContact OE2-CG 3.48Å; E146-R185 IonicContact OE2-CZ 2.72Å; E146-R185 IonicContact OE2-NH1 3.63Å; E146-R185 PolarHBondContact OE2-NH1 3.44Å; T152-R185 HydrophobicContact CG2-CG 4.33Å; T152-R185 PolarHBondContact OG1-NH1 2.91Å; F168-R185 HydrophobicContact CE1-CB 4.07Å; F168-R185 HydrophobicContact CE2-CB 4.42Å; F168-R185 HydrophobicContact CZ-CB 3.78Å; R185-Q187 PolarHBondContact O-N 3.13Å; R185-T190 PolarHBondContact O-OG1 2.99Å; R185-T190 VanDerWaalsContact O-OG1 3.11Å; R185-H191 PolarHBondContact O-CD2 3.49Å; R185-H191 PolarHBondContact O-NE2 2.73Å
186H95.2Very high97.7Very high145 Ų14556.7 Ų56.767%0.67128%0.275SS*.THydrogen-bonded Turntrans-74.7-8.7-174.265.2-93.7000113.3R184R184-H186 VanDerWaalsContact C-N 3.31Å; R184-H186 PolarHBondContact O-N 3.12Å; R184-H186 VanDerWaalsContact O-N 3.13Å
187Q96.8Very high97.6Very high53 Ų5354.6 Ų54.625%0.24826%0.262CS..SBendtrans-85.9131.5-175.2-61.4174.5-51.500110.5R184 R185 F189 T190R184-Q187 HydrophobicContact CB-CG 4.14Å; R184-Q187 VanDerWaalsContact O-CB 3.32Å; R184-Q187 WeakPolarHBondContact O-CB 3.38Å; R184-Q187 PolarHBondContact O-N 3.4Å; R185-Q187 PolarHBondContact O-N 3.13Å; Q187-F189 HydrophobicContact CB-CD1 4.29Å; Q187-F189 HydrophobicContact CB-CD2 4Å; Q187-F189 HydrophobicContact CB-CE1 3.87Å; Q187-F189 HydrophobicContact CB-CE2 3.52Å; Q187-F189 HydrophobicContact CB-CG 4.37Å; Q187-F189 HydrophobicContact CB-CZ 3.49Å; Q187-F189 VanDerWaalsContact CB-CZ 3.49Å; Q187-F189 HydrophobicContact CG-CE1 4.37Å; Q187-F189 HydrophobicContact CG-CE2 4.22Å; Q187-F189 HydrophobicContact CG-CZ 3.86Å; Q187-F189 PolarHBondContact O-N 3.39Å; Q187-T190 PolarHBondContact O-N 3.27Å; Q187-T190 PolarHBondContact O-OG1 2.95Å
188K96.8Very high97.4Very high148 Ų14856 Ų5664%0.64326%0.264SS*.G310 helixtrans-54.2-32.6-175.2-66.5-177.1178.3178.50114.3R74 T190 H191R74-K188 HydrophobicContact CB-CB 4.37Å; R74-K188 WeakPolarHBondContact CB-O 3.27Å; R74-K188 HydrophobicContact CG-CB 4.17Å; R74-K188 HydrophobicContact CG-CG 4.41Å; K188-T190 PolarHBondContact O-N 3.3Å; K188-H191 WeakPolarHBondContact O-CB 3.19Å; K188-H191 PolarHBondContact O-N 2.92Å; K188-H191 VanDerWaalsContact O-N 3.08Å
189F98.1Very high97.1Very high34 Ų3455 Ų5515%0.14927%0.266CS..G310 helixtrans-67.8-11.617847.9-114.9000114.4C73 T75 A170 L171 R178 Q187C73-F189 PolarHBondContact SG-O 3.42Å; T75-F189 HydrophobicContact CG2-CB 3.82Å; A170-F189 WeakPolarHBondContact CA-O 3.45Å; A170-F189 HydrophobicContact CB-CB 4.47Å; A170-F189 HydrophobicContact CB-CD2 3.77Å; A170-F189 WeakPolarHBondContact CB-O 3.33Å; L171-F189 PolarHBondContact N-O 3.13Å; L171-F189 WeakPolarHBondContact O-CB 3.35Å; R178-F189 VanDerWaalsContact NE-CZ 3.28Å; Q187-F189 HydrophobicContact CB-CD1 4.29Å; Q187-F189 HydrophobicContact CB-CD2 4Å; Q187-F189 HydrophobicContact CB-CE1 3.87Å; Q187-F189 HydrophobicContact CB-CE2 3.52Å; Q187-F189 HydrophobicContact CB-CG 4.37Å; Q187-F189 HydrophobicContact CB-CZ 3.49Å; Q187-F189 VanDerWaalsContact CB-CZ 3.49Å; Q187-F189 HydrophobicContact CG-CE1 4.37Å; Q187-F189 HydrophobicContact CG-CE2 4.22Å; Q187-F189 HydrophobicContact CG-CZ 3.86Å; Q187-F189 PolarHBondContact O-N 3.39Å
190T98.5Very high96.8Very high0 Ų059.4 Ų59.40%029%0.29CS..G310 helixtrans-94.1-4.6173.368.50000113.2F168 A170 R184 R185 Q187 K188 F192F168-T190 HydrophobicContact CB-CG2 3.68Å; F168-T190 HydrophobicContact CG-CG2 4.2Å; A170-T190 HydrophobicContact CB-CG2 4.24Å; R184-T190 VanDerWaalsContact O-CG2 3.31Å; R184-T190 WeakPolarHBondContact O-CG2 3.19Å; R184-T190 PolarHBondContact O-OG1 2.93Å; R185-T190 PolarHBondContact O-OG1 2.99Å; R185-T190 VanDerWaalsContact O-OG1 3.11Å; Q187-T190 PolarHBondContact O-N 3.27Å; Q187-T190 PolarHBondContact O-OG1 2.95Å; K188-T190 PolarHBondContact O-N 3.3Å; T190-F192 WeakPolarHBondContact O-CD2 3.42Å
191H98.5Very high96.7Very high27 Ų2765.3 Ų65.313%0.12531%0.313CS..  trans-93.7119.3-175-60.6174.2000109.2C73 R74 Y150 R185 K188C73-H191 CarbonylContact C-O 3.54Å; C73-H191 WeakPolarHBondContact CA-O 3.48Å; R74-H191 HydrophobicContact CB-CB 3.93Å; R74-H191 PolarHBondContact N-O 2.76Å; Y150-H191 HydrophobicContact CD1-CB 3.71Å; Y150-H191 HydrophobicContact CG-CB 4Å; R185-H191 PolarHBondContact O-CD2 3.49Å; R185-H191 PolarHBondContact O-NE2 2.73Å; K188-H191 WeakPolarHBondContact O-CB 3.19Å; K188-H191 PolarHBondContact O-N 2.92Å; K188-H191 VanDerWaalsContact O-N 3.08Å
192F98.7Very high96.5Very high0 Ų064 Ų640%031%0.305CS..EExtended strand (participates in β ladder)trans-126.1132.6-179.7-71-93000111.5L71 Y72 C73 L79 Y150 N151 Y153 V169 L171 T190L71-F192 HydrophobicContact CD1-CB 3.78Å; L71-F192 HydrophobicContact CD2-CB 4.33Å; L71-F192 HydrophobicContact CD2-CD1 4.09Å; L71-F192 HydrophobicContact CD2-CG 4.27Å; L71-F192 HydrophobicContact CG-CB 3.78Å; L71-F192 HydrophobicContact CG-CD1 3.7Å; L71-F192 HydrophobicContact CG-CG 4Å; Y72-F192 CarbonylContact O-C 3.57Å; Y72-F192 VanDerWaalsContact O-CA 3.32Å; Y72-F192 WeakPolarHBondContact O-CA 3.47Å; C73-F192 HydrophobicContact CB-CD1 3.69Å; C73-F192 HydrophobicContact CB-CE1 3.44Å; C73-F192 VanDerWaalsContact CB-CE1 3.44Å; C73-F192 HydrophobicContact CB-CG 4.5Å; C73-F192 HydrophobicContact CB-CZ 4.02Å; L79-F192 HydrophobicContact CB-CE1 4.39Å; L79-F192 HydrophobicContact CD1-CE1 4.3Å; Y150-F192 VanDerWaalsContact CD1-C 3.48Å; N151-F192 PolarHBondContact N-O 3.43Å; N151-F192 PolarHBondContact O-N 2.75Å; Y153-F192 HydrophobicContact CD2-CB 4.13Å; Y153-F192 HydrophobicContact CD2-CD2 4.18Å; Y153-F192 HydrophobicContact CD2-CG 4.39Å; Y153-F192 HydrophobicContact CE2-CB 3.71Å; Y153-F192 HydrophobicContact CE2-CG 4.4Å; V169-F192 HydrophobicContact CB-CE2 4.41Å; V169-F192 HydrophobicContact CG1-CE2 4.02Å; V169-F192 HydrophobicContact CG1-CZ 3.96Å; V169-F192 WeakPolarHBondContact O-CE2 3.31Å; L171-F192 HydrophobicContact CD1-CE1 4.06Å; L171-F192 HydrophobicContact CG-CE1 4.11Å; L171-F192 HydrophobicContact CG-CZ 4.08Å; T190-F192 WeakPolarHBondContact O-CD2 3.42Å
193L98Very high96.1Very high50 Ų5060.9 Ų60.926%0.26230%0.297SS..EExtended strand (participates in β ladder)trans-100.4115.5175.6178.265.5000108.8Y72 W149 Y150 R195Y72-L193 HydrophobicContact CD1-CB 4.41Å; Y72-L193 PolarHBondContact N-O 3.08Å; Y72-L193 PolarHBondContact O-N 2.84Å; W149-L193 HydrophobicContact CB-CD1 4.32Å; W149-L193 WeakPolarHBondContact O-CD1 3.5Å; Y150-L193 HydrophobicContact CD1-CB 3.94Å; Y150-L193 HydrophobicContact CE1-CB 3.63Å; L193-R195 HydrophobicContact CD2-CG 4.24Å; L193-R195 HydrophobicContact CG-CG 4.19Å; L193-R195 PolarHBondContact O-N 2.73Å
194P97Very high95.8Very high40 Ų4064.6 Ų64.626%0.2632%0.315SS..EExtended strand (participates in β ladder)trans-63.9118.5167.9-2033.4000109.7R69 L71 Y153R69-P194 HydrophobicContact CG-CB 4.38Å; L71-P194 HydrophobicContact CD1-CG 4.21Å; Y153-P194 WeakPolarHBondContact OH-CG 3.32Å
195R97.4Very high95.4Very high74 Ų7462 Ų6228%0.27931%0.306SS..EExtended strand (participates in β ladder)trans-107.6147.7178.4-67.7-175.964.6-146.4-15.6110.5R69 Q70 H78 D93 L193R69-R195 CarbonylContact C-O 3.54Å; R69-R195 VanDerWaalsContact CA-O 3.28Å; R69-R195 WeakPolarHBondContact CA-O 3.23Å; R69-R195 WeakPolarHBondContact CD-O 3.24Å; Q70-R195 HydrophobicContact CB-CB 4.36Å; Q70-R195 PolarHBondContact N-O 2.91Å; Q70-R195 PolarHBondContact O-N 2.9Å; H78-R195 PolarHBondContact CE1-NH1 3.27Å; H78-R195 PolarHBondContact NE2-NH1 2.81Å; D93-R195 IonicContact OD1-CZ 3.2Å; D93-R195 IonicContact OD1-NH1 2.73Å; D93-R195 PolarHBondContact OD1-NH1 3.34Å; D93-R195 IonicContact OD1-NH2 2.97Å; D93-R195 PolarHBondContact OD1-NH2 2.88Å; D93-R195 IonicContact OD2-NH2 3.96Å; L193-R195 HydrophobicContact CD2-CG 4.24Å; L193-R195 HydrophobicContact CG-CG 4.19Å; L193-R195 PolarHBondContact O-N 2.73Å
196P96.3Very high94.8Very high98 Ų9858.9 Ų58.964%0.63630%0.295SS*.  trans-64160.8175.528.6-35.1000111.6Q70Q70-P196 PolarHBondContact NE2-O 3.01Å; Q70-P196 VanDerWaalsContact NE2-O 3.12Å
197V96.8Very high94Very high22 Ų2258.1 Ų58.113%0.13329%0.289CS..  trans-114.9125.9174.2-179.20000107.5R68 Q70 I99 P199 V202 Y206R68-V197 HydrophobicContact CB-CG2 4.3Å; Q70-V197 HydrophobicContact CG-CG2 3.94Å; I99-V197 HydrophobicContact CD1-CG1 3.89Å; I99-V197 HydrophobicContact CD1-CG2 4.08Å; I99-V197 HydrophobicContact CG2-CG1 4.17Å; I99-V197 HydrophobicContact CG2-CG2 4.18Å; V197-P199 WeakPolarHBondContact O-CD 3.48Å; V197-V202 HydrophobicContact CG1-CG2 3.87Å; V197-Y206 HydrophobicContact CG1-CE2 4.3Å; V197-Y206 WeakPolarHBondContact CG1-OH 3.49Å
198D94.7Very high92.5Very high68 Ų6865 Ų6536%0.36432%0.321SS..  trans-88.2112.5169.4-177.5-5.8000109H94 D200 R201H94-D198 PolarHBondContact NE2-N 3.46Å; D198-D200 PolarHBondContact O-N 3.31Å; D198-D200 PolarHBondContact OD1-N 3.25Å; D198-R201 HydrophobicContact CB-CB 4.47Å; D198-R201 HydrophobicContact CB-CG 4.15Å; D198-R201 PolarHBondContact O-N 3.45Å
199P91.8Very high91Very high47 Ų4760.5 Ų60.531%0.30530%0.304SS..G310 helixtrans-58.1-32-178.4-24.935.7000114V197 R201 V202 Y206V197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-R201 PolarHBondContact O-N 2.86Å; P199-V202 CarbonylContact O-C 3.35Å; P199-V202 PolarHBondContact O-N 3.27Å; P199-V202 VanDerWaalsContact O-N 3.17Å; P199-Y206 HydrophobicContact CB-CD1 4.03Å; P199-Y206 HydrophobicContact CB-CD2 4.21Å; P199-Y206 HydrophobicContact CB-CE1 4.03Å; P199-Y206 HydrophobicContact CB-CE2 4.28Å; P199-Y206 HydrophobicContact CB-CG 4.1Å; P199-Y206 HydrophobicContact CG-CD1 4.36Å; P199-Y206 HydrophobicContact CG-CE1 3.94Å
200D92.4Very high89.3Confident136 Ų13663.3 Ų63.373%0.72732%0.32SS*.G310 helixtrans-68.2-19.5-176.9-65.7-22.8000112.2D198D198-D200 PolarHBondContact O-N 3.31Å; D198-D200 PolarHBondContact OD1-N 3.25Å
201R95.2Very high87.2Confident124 Ų12466.4 Ų66.447%0.46835%0.352SS..G310 helixtrans-89.2-13.4178.9-65.3-172.561-170.7-11114.1D93 H94 D198 P199D93-R201 PolarHBondContact O-NH2 3.19Å; D93-R201 VanDerWaalsContact O-NH2 3.17Å; D93-R201 IonicContact OD2-CZ 3.18Å; D93-R201 VanDerWaalsContact OD2-CZ 3.26Å; D93-R201 IonicContact OD2-NH1 2.74Å; D93-R201 PolarHBondContact OD2-NH1 2.88Å; D93-R201 IonicContact OD2-NH2 2.78Å; D93-R201 PolarHBondContact OD2-NH2 2.5Å; D93-R201 VanDerWaalsContact OD2-NH2 3.12Å; H94-R201 HydrophobicContact CB-CB 4.09Å; H94-R201 PolarHBondContact CE1-NH1 3.17Å; H94-R201 PolarHBondContact ND1-NH1 3.11Å; H94-R201 VanDerWaalsContact ND1-NH1 3.12Å; D198-R201 HydrophobicContact CB-CB 4.47Å; D198-R201 HydrophobicContact CB-CG 4.15Å; D198-R201 PolarHBondContact O-N 3.45Å; P199-R201 PolarHBondContact O-N 2.86Å
202V94.1Very high84.6Confident1 Ų173 Ų731%0.00638%0.382CS..SBendtrans-13952.7179-750000110.5H94 I99 V197 P199 E204 L205 Y206H94-V202 HydrophobicContact CB-CG1 4.13Å; I99-V202 HydrophobicContact CD1-CG1 4.25Å; I99-V202 HydrophobicContact CD1-CG2 4.44Å; I99-V202 HydrophobicContact CG1-CB 4.48Å; I99-V202 HydrophobicContact CG1-CG1 4.04Å; I99-V202 HydrophobicContact CG1-CG2 4.25Å; V197-V202 HydrophobicContact CG1-CG2 3.87Å; P199-V202 CarbonylContact O-C 3.35Å; P199-V202 PolarHBondContact O-N 3.27Å; P199-V202 VanDerWaalsContact O-N 3.17Å; V202-E204 PolarHBondContact O-N 3.16Å; V202-E204 VanDerWaalsContact O-N 3.11Å; V202-L205 HydrophobicContact CB-CD1 4.21Å; V202-L205 HydrophobicContact CB-CG 4.39Å; V202-L205 PolarHBondContact O-N 2.87Å; V202-Y206 HydrophobicContact CG2-CD2 4.2Å; V202-Y206 HydrophobicContact CG2-CE2 3.77Å; V202-Y206 WeakPolarHBondContact O-CD2 3.46Å
203P91.3Very high81.8Confident62 Ų6281.9 Ų81.940%0.40345%0.445SS..G310 helixtrans-57.8-34.1-169.924.4-35000112.3L205 Y206 K207P203-L205 PolarHBondContact O-N 3.48Å; P203-L205 VanDerWaalsContact O-N 3.14Å; P203-Y206 PolarHBondContact O-N 2.68Å; P203-K207 WeakPolarHBondContact O-CG 3.46Å; P203-K207 PolarHBondContact O-N 3.17Å; P203-K207 VanDerWaalsContact O-N 3.13Å
204E90.3Very high81Confident78 Ų7883.5 Ų83.536%0.36445%0.454SS..G310 helixtrans-54.7-29.9177.165.2-78.3-177.300114.4V202 Y206V202-E204 PolarHBondContact O-N 3.16Å; V202-E204 VanDerWaalsContact O-N 3.11Å; E204-Y206 VanDerWaalsContact C-N 3.29Å; E204-Y206 PolarHBondContact O-N 3.12Å
205L89.1Confident80.1Confident19 Ų1985.8 Ų85.810%0.09946%0.464CS..G310 helixtrans-85.1-4.6179.7-55.9-176.1000113.3R68 R96 I99 V115 D116 V202 P203R68-L205 PolarHBondContact NH1-O 3.45Å; R68-L205 PolarHBondContact NH2-O 3.12Å; R96-L205 HydrophobicContact CG-CD2 4.42Å; I99-L205 HydrophobicContact CB-CD1 3.63Å; I99-L205 HydrophobicContact CG1-CD1 3.58Å; I99-L205 HydrophobicContact CG2-CD1 4Å; V115-L205 HydrophobicContact CG1-CB 4.18Å; V115-L205 HydrophobicContact CG1-CD1 4.36Å; V115-L205 HydrophobicContact CG1-CD2 4.47Å; D116-L205 HydrophobicContact CB-CD2 3.72Å; D116-L205 VanDerWaalsContact OD2-CD2 3.31Å; D116-L205 WeakPolarHBondContact OD2-CD2 3.07Å; V202-L205 HydrophobicContact CB-CD1 4.21Å; V202-L205 HydrophobicContact CB-CG 4.39Å; V202-L205 PolarHBondContact O-N 2.87Å; P203-L205 PolarHBondContact O-N 3.48Å; P203-L205 VanDerWaalsContact O-N 3.14Å
206Y84.8Confident79.2Confident11 Ų1186.4 Ų86.44%0.04347%0.474CS..THydrogen-bonded Turntrans-122.5-2.2-176.4-69.2-102.4000112.9I65 R68 V197 P199 V202 P203 E204 E208 I209 L210I65-Y206 HydrophobicContact CG2-CD1 4.33Å; I65-Y206 HydrophobicContact CG2-CE1 3.67Å; R68-Y206 VanDerWaalsContact CD-OH 3.25Å; R68-Y206 WeakPolarHBondContact CD-OH 3.4Å; R68-Y206 VanDerWaalsContact NH1-CZ 3.3Å; V197-Y206 HydrophobicContact CG1-CE2 4.3Å; V197-Y206 WeakPolarHBondContact CG1-OH 3.49Å; P199-Y206 HydrophobicContact CB-CD1 4.03Å; P199-Y206 HydrophobicContact CB-CD2 4.21Å; P199-Y206 HydrophobicContact CB-CE1 4.03Å; P199-Y206 HydrophobicContact CB-CE2 4.28Å; P199-Y206 HydrophobicContact CB-CG 4.1Å; P199-Y206 HydrophobicContact CG-CD1 4.36Å; P199-Y206 HydrophobicContact CG-CE1 3.94Å; V202-Y206 HydrophobicContact CG2-CD2 4.2Å; V202-Y206 HydrophobicContact CG2-CE2 3.77Å; V202-Y206 WeakPolarHBondContact O-CD2 3.46Å; P203-Y206 PolarHBondContact O-N 2.68Å; E204-Y206 VanDerWaalsContact C-N 3.29Å; E204-Y206 PolarHBondContact O-N 3.12Å; Y206-E208 VanDerWaalsContact C-N 3.35Å; Y206-E208 PolarHBondContact O-N 3.19Å; Y206-I209 PolarHBondContact O-N 3.39Å; Y206-L210 WeakPolarHBondContact O-CG 3.22Å; Y206-L210 PolarHBondContact O-N 3.11Å
207K78.2Confident78.2Confident128 Ų12885.8 Ų85.856%0.55747%0.465SS*.Hα-helixtrans-55.5-43-177.9-74.4179.1-178.4178.10113.9P203 I209 L210 G211P203-K207 WeakPolarHBondContact O-CG 3.46Å; P203-K207 PolarHBondContact O-N 3.17Å; P203-K207 VanDerWaalsContact O-N 3.13Å; K207-I209 PolarHBondContact O-N 2.97Å; K207-L210 PolarHBondContact O-N 2.73Å; K207-G211 PolarHBondContact O-N 3.46Å
208E65.1Low77Confident198 Ų19889.8 Ų89.893%0.92549%0.486SS*.Hα-helixtrans-65.3-18.3180-64.3-178.7176.100113Y206Y206-E208 VanDerWaalsContact C-N 3.35Å; Y206-E208 PolarHBondContact O-N 3.19Å
209I63.8Low75.8Confident53 Ų5391.2 Ų91.227%0.27249%0.494SS..Hα-helixtrans-102.8-36.3-177.6-59.2135000111.2L61 I65 Y206 K207 G211L61-I209 HydrophobicContact CD1-CD1 4.43Å; L61-I209 HydrophobicContact CD1-CG1 4.39Å; L61-I209 HydrophobicContact CD2-CG1 3.86Å; L61-I209 HydrophobicContact CG-CG1 4.18Å; I65-I209 HydrophobicContact CD1-CB 4.16Å; I65-I209 HydrophobicContact CD1-CD1 3.3Å; I65-I209 HydrophobicContact CD1-CG1 3.62Å; I65-I209 HydrophobicContact CD1-CG2 3.67Å; I65-I209 HydrophobicContact CG1-CD1 3.82Å; Y206-I209 PolarHBondContact O-N 3.39Å; K207-I209 PolarHBondContact O-N 2.97Å; I209-G211 PolarHBondContact O-N 2.7Å
210L62.8Low74.7Confident94 Ų9494.4 Ų94.449%0.49251%0.507SS..Hα-helixtrans-83.34.7-176.2-66.1174.1000113.5Y206 K207 H212Y206-L210 WeakPolarHBondContact O-CG 3.22Å; Y206-L210 PolarHBondContact O-N 3.11Å; K207-L210 PolarHBondContact O-N 2.73Å; L210-H212 VanDerWaalsContact C-N 3.28Å; L210-H212 PolarHBondContact O-N 3.19Å; L210-H212 VanDerWaalsContact O-N 3.14Å; L210-H212 PolarHBondContact O-ND1 3.42Å
211G54.7Low73.3Confident65 Ų6591.2 Ų91.267%0.6749%0.49SS*.THydrogen-bonded Turntrans61.128.7166.400000115.4K207 I209 S213K207-G211 PolarHBondContact O-N 3.46Å; I209-G211 PolarHBondContact O-N 2.7Å; G211-S213 PolarHBondContact O-N 2.97Å; G211-S213 VanDerWaalsContact O-N 3.16Å
212H45.1Very low71.5Confident164 Ų16488.4 Ų88.476%0.75949%0.492SS*.  trans-82.696.5174.8-72.858.7000109.2L210L210-H212 VanDerWaalsContact C-N 3.28Å; L210-H212 PolarHBondContact O-N 3.19Å; L210-H212 VanDerWaalsContact O-N 3.14Å; L210-H212 PolarHBondContact O-ND1 3.42Å
213S38.7Very low69.4Low188 Ų18896.4 Ų96.4100%1.31554%0.536SS*.  trans-71.20159.566.50000111G211G211-S213 PolarHBondContact O-N 2.97Å; G211-S213 VanDerWaalsContact O-N 3.16Å

Retrieved 213 of 213 residues in 945.5 ms (Link to these results)