A0A087YK22_POEFO Loading...

Zygote arrest 1

AlphaFold DB , UniProt , Accession A0A087YK22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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
1M36Very low40Very low250 Ų250151.4 Ų151.4100%1.23280%0.801SS**  0132.90-70.8175.878.500107.5
2A38.4Very low39.8Very low89 Ų89152.3 Ų152.374%0.73679%0.787SS**  trans-91.5179-170.200000113.2
3T42.9Very low39.8Very low121 Ų121154.8 Ų154.874%0.74279%0.789SS**  trans94.7129.8169.175.50000113.6
4Y33.9Very low39.6Very low224 Ų224158.3 Ų158.388%0.87879%0.79SS**  cis-162.4162.243.3-105-91.3000112.3
5G34.3Very low39.6Very low63 Ų63155.7 Ų155.765%0.64979%0.793SS**  trans96.6109.3146.700000116.8
6E38Very low39.8Very low195 Ų195152.6 Ų152.691%0.91179%0.79SS**  76.5102.990.7-85.5-101.6153.200113.6
7E39.3Very low39.9Very low180 Ų180155.8 Ų155.884%0.84179%0.791SS**  trans-165.1154.4134.5-115.7-130.8116.300112.5
8P57.2Low40.3Very low99 Ų99155.4 Ų155.464%0.64379%0.792SS**  trans-108.4-157.5-165.738.8-22.9000112.3
9V44.6Very low41Very low123 Ų123150.7 Ų150.775%0.74577%0.772SS**  trans94.678.4168.4-161.40000115.6
10D41.1Very low41.2Very low143 Ų143154.2 Ų154.277%0.76578%0.777SS**  43.1146.3107-145.57.6000120.1
11R33.8Very low41.4Very low178 Ų178153.8 Ų153.867%0.67278%0.782SS**  trans85.2120.2156.8-120.1168.6170.5169.2-0.2115.3
12Y38.6Very low41.8Very low162 Ų162145 Ų14564%0.63576%0.756SS**  cis-170.2163.649.7-83.9-93.2000112.3
13F38.8Very low42.1Very low185 Ų185151.1 Ų151.181%0.81176%0.76SS**SBendtrans83.2117.4163.4-64.3-86.3000116.2
14Y37.6Very low42Very low204 Ų204155 Ų15580%0.876%0.762SS**  cis-161.3120.49.8-160.5-111.1000107.5
15S40Very low42.3Very low119 Ų119151.7 Ų151.783%0.83277%0.765SS**  trans-88.4109.7175-167.60000108.6Y17S15-Y17 PolarHBondContact O-N 3.09Å; S15-Y17 VanDerWaalsContact O-N 3.09Å
16S42.7Very low42.9Very low106 Ų106159.4 Ų159.474%0.74178%0.775SS**  trans-74.199.4174.356.60000109.8
17Y41.1Very low43.2Very low207 Ų207156.3 Ų156.381%0.81277%0.772SS**  trans-58.5124.9170-163.1-105.1000110.6S15 P19S15-Y17 PolarHBondContact O-N 3.09Å; S15-Y17 VanDerWaalsContact O-N 3.09Å; Y17-P19 HydrophobicContact CD1-CB 4.11Å; Y17-P19 HydrophobicContact CD1-CG 3.86Å; Y17-P19 HydrophobicContact CE1-CB 3.61Å; Y17-P19 HydrophobicContact CE1-CG 3.76Å
18N47.8Very low43.3Very low150 Ų150159.3 Ų159.380%0.80278%0.775SS**  trans-121.298.3166.6-160.713.7000108.4
19P52.1Low42.6Very low66 Ų66159 Ų15943%0.42978%0.781SS.*  trans-82.5141178.231.2-25.2000109.2Y17Y17-P19 HydrophobicContact CD1-CB 4.11Å; Y17-P19 HydrophobicContact CD1-CG 3.86Å; Y17-P19 HydrophobicContact CE1-CB 3.61Å; Y17-P19 HydrophobicContact CE1-CG 3.76Å
20Y45.8Very low42.7Very low219 Ų219157.7 Ų157.786%0.85978%0.783SS**  trans81.781.6-174.3-60.6-89000115.7
21V45.2Very low42.8Very low146 Ų146153.9 Ų153.989%0.88578%0.777SS**  -15991.1110.1-169.70000108.2
22G44.4Very low43.2Very low66 Ų66157.8 Ų157.868%0.6879%0.792SS**  trans-79.9133.1157.300000109
23R45.8Very low43.4Very low217 Ų217159.5 Ų159.582%0.81980%0.803SS**SBendtrans157.1108.3140.2-72.9-123.6-160.1-140.31.2110
24Y39Very low43.5Very low203 Ų203161.1 Ų161.180%0.79681%0.805SS**  trans66.995.8163.5-56.5-77.4000119.3R26Y24-R26 VanDerWaalsContact C-N 3.32Å; Y24-R26 PolarHBondContact O-N 3.01Å
25T40.6Very low43.6Very low154 Ų154161.1 Ų161.195%0.94581%0.809SS**  trans-68.486.7150.523.10000110
26R46.5Very low43.6Very low226 Ų226157.5 Ų157.585%0.85379%0.791SS**  trans-77.8130.8157-104.5-173.4177.9-177.50.9108.2Y24 R28Y24-R26 VanDerWaalsContact C-N 3.32Å; Y24-R26 PolarHBondContact O-N 3.01Å; R26-R28 PolarHBondContact O-N 3.2Å
27P44.3Very low43.7Very low130 Ų130163.4 Ų163.484%0.84480%0.799SS**  trans-63.1105.7164.4-16.229.6000108.2A29P27-A29 PolarHBondContact O-N 2.79Å
28R42Very low43.8Very low243 Ų243163.2 Ų163.292%0.91780%0.803SS**  trans-58.3121.2171.8-160.8176.4-172176.92.2106.9R26 A30R26-R28 PolarHBondContact O-N 3.2Å; R28-A30 PolarHBondContact O-N 2.93Å
29A43.3Very low43.6Very low92 Ų92159 Ų15976%0.7679%0.785SS**  trans-42.8122.1-179.600000111.1P27 G31P27-A29 PolarHBondContact O-N 2.79Å; A29-G31 PolarHBondContact O-N 3.31Å
30A46.9Very low43.3Very low96 Ų96165 Ų16579%0.79381%0.807SS**  trans-53.8121.6164.400000107.8R28R28-A30 PolarHBondContact O-N 2.93Å
31G42.2Very low43.2Very low62 Ų62164.6 Ų164.664%0.63981%0.805SS**  trans-49.3141.617900000111.2A29 K33A29-G31 PolarHBondContact O-N 3.31Å; G31-K33 PolarHBondContact O-N 2.8Å
32W42.9Very low43.4Very low261 Ų261161 Ų16199%0.98980%0.797SS**  trans-51.697.6173-72.58.4000110.3Y34W32-Y34 PolarHBondContact O-N 3.17Å
33K41.4Very low43.4Very low197 Ų197162.5 Ų162.586%0.85779%0.79SS**  trans-78.1102.5160.2-66.7-132.2178.6-174.60106.3G31 K35G31-K33 PolarHBondContact O-N 2.8Å; K33-K35 VanDerWaalsContact C-N 3.27Å; K33-K35 PolarHBondContact O-N 3.46Å
34Y40.9Very low44Very low220 Ų220159 Ų15986%0.86379%0.788SS**  trans-5194.8162.6-173.6-97.4000108.1W32 G36W32-Y34 PolarHBondContact O-N 3.17Å; Y34-G36 PolarHBondContact O-N 3.23Å
35K41.5Very low44.9Very low203 Ų203152.4 Ų152.488%0.88377%0.771SS**  trans-75.287.5174-164.7174.3-174.5179.20106.2K33 Y37K33-K35 VanDerWaalsContact C-N 3.27Å; K33-K35 PolarHBondContact O-N 3.46Å; K35-Y37 PolarHBondContact O-N 2.95Å
36G38.6Very low45.7Very low44 Ų44149.5 Ų149.545%0.45475%0.75SS.*  trans-50.8128.1176.600000110.3Y34 F38Y34-G36 PolarHBondContact O-N 3.23Å; G36-F38 PolarHBondContact O-N 2.93Å
37Y46.3Very low46.2Very low230 Ų230141.4 Ų141.490%0.90273%0.731SS**  trans-70.864.7172.3-145.6-93.9000108.8K35 S39K35-Y37 PolarHBondContact O-N 2.95Å; Y37-S39 PolarHBondContact O-N 3.23Å
38F42.6Very low46.9Very low202 Ų202141.8 Ų141.889%0.88672%0.719SS**  trans-92.485.9167-120.7-90.2000107.5G36G36-F38 PolarHBondContact O-N 2.93Å
39S43.7Very low48.6Very low61 Ų61134.6 Ų134.643%0.42770%0.699SS.*  trans-49.5136.3168.1-176.50000109.5Y37 Y41Y37-S39 PolarHBondContact O-N 3.23Å; S39-Y41 PolarHBondContact O-N 2.83Å; S39-Y41 WeakPolarHBondContact OG-CD2 3.5Å; S39-Y41 WeakPolarHBondContact OG-CE2 3.35Å
40H44.9Very low50.2Low193 Ų193134.6 Ų134.689%0.89469%0.687SS**  trans-62.368.4170-77.9-90.3000110.9G42H40-G42 PolarHBondContact O-N 2.9Å; H40-G42 VanDerWaalsContact O-N 3.11Å
41Y45Very low51.9Low211 Ų211135.3 Ų135.383%0.82767%0.673SS**  trans-83.351.1169.2-85.9-75.6000110.6S39S39-Y41 PolarHBondContact O-N 2.83Å; S39-Y41 WeakPolarHBondContact OG-CD2 3.5Å; S39-Y41 WeakPolarHBondContact OG-CE2 3.35Å
42G48.7Very low53.9Low69 Ų69136.4 Ų136.471%0.71166%0.662SS**  trans-139.229.9-172.100000113.1H40H40-G42 PolarHBondContact O-N 2.9Å; H40-G42 VanDerWaalsContact O-N 3.11Å
43D45.1Very low55.8Low98 Ų98131.5 Ų131.552%0.52464%0.643SS.*  trans-88.3110.8164-157.7-28.1000107.8S45 D46 A47D43-S45 PolarHBondContact O-N 3Å; D43-S45 PolarHBondContact OD1-N 3.34Å; D43-S45 PolarHBondContact OD1-OG 2.87Å; D43-D46 PolarHBondContact O-N 2.76Å; D43-A47 PolarHBondContact O-N 3.19Å
44N56.8Low57.8Low145 Ų145124.7 Ų124.778%0.77562%0.623SS**Hα-helixtrans-56.7-21.5-178.6-107.95.4000112.4
45S58.8Low60Low63 Ų63118.6 Ų118.644%0.44160%0.603SS.*Hα-helixtrans-70.1-34.4175.4640000113.2D43 N49D43-S45 PolarHBondContact O-N 3Å; D43-S45 PolarHBondContact OD1-N 3.34Å; D43-S45 PolarHBondContact OD1-OG 2.87Å; S45-N49 PolarHBondContact O-N 3.03Å; S45-N49 PolarHBondContact O-ND2 2.96Å
46D57.6Low62.1Low94 Ų94114 Ų11450%0.50359%0.587SS.*Hα-helixtrans-78-29.1177.2-79.6-28.1000112.2D43 N49 N50D43-D46 PolarHBondContact O-N 2.76Å; D46-N49 PolarHBondContact O-N 3.29Å; D46-N50 VanDerWaalsContact O-CB 3.27Å; D46-N50 WeakPolarHBondContact O-CB 3.47Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.76Å
47A56.7Low64Low56 Ų56118.2 Ų118.246%0.46359%0.593SS.*Hα-helixtrans-63.5-41.6175.700000111.8D43 N50 H51D43-A47 PolarHBondContact O-N 3.19Å; A47-N50 PolarHBondContact O-N 3.11Å; A47-H51 PolarHBondContact O-N 2.73Å
48F59.3Low65.7Low137 Ų137109.9 Ų109.960%0.60157%0.568SS**Hα-helixtrans-67.2-43.8177.5-167.2-104.8000111.9N50 H51 Q52F48-N50 VanDerWaalsContact C-N 3.31Å; F48-N50 PolarHBondContact O-N 2.98Å; F48-H51 PolarHBondContact O-N 3.38Å; F48-Q52 HydrophobicContact CE1-CG 4.38Å; F48-Q52 WeakPolarHBondContact O-CG 3.31Å; F48-Q52 PolarHBondContact O-N 3.42Å
49N76.8Confident67.6Low92 Ų92104 Ų10449%0.49255%0.546SS..Hα-helixtrans-63-36.5173.9-85-35.2000112.5S45 D46 R53S45-N49 PolarHBondContact O-N 3.03Å; S45-N49 PolarHBondContact O-ND2 2.96Å; D46-N49 PolarHBondContact O-N 3.29Å; N49-R53 WeakPolarHBondContact O-CB 3.27Å; N49-R53 PolarHBondContact O-N 2.85Å
50N77.5Confident69.4Low93 Ų93106.6 Ų106.650%0.49755%0.554SS.*Hα-helixtrans-68.1-36.9175.6-77.5-39.8000112.2D46 A47 F48 R53 A54D46-N50 VanDerWaalsContact O-CB 3.27Å; D46-N50 WeakPolarHBondContact O-CB 3.47Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.76Å; A47-N50 PolarHBondContact O-N 3.11Å; F48-N50 VanDerWaalsContact C-N 3.31Å; F48-N50 PolarHBondContact O-N 2.98Å; N50-R53 PolarHBondContact O-N 3.44Å; N50-A54 WeakPolarHBondContact O-CB 3.37Å; N50-A54 PolarHBondContact O-N 3.33Å
51H82.1Confident70.8Confident111 Ų11199.8 Ų99.851%0.51453%0.528SS..Hα-helixtrans-67-47.2175.6-164.371.9000111.8A47 F48 R53 A54 Q55A47-H51 PolarHBondContact O-N 2.73Å; F48-H51 PolarHBondContact O-N 3.38Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.28Å; H51-A54 WeakPolarHBondContact O-CB 3.11Å; H51-A54 PolarHBondContact O-N 3.03Å; H51-A54 VanDerWaalsContact O-N 3.12Å; H51-Q55 PolarHBondContact CD2-NE2 3.32Å; H51-Q55 PolarHBondContact NE2-NE2 3.45Å; H51-Q55 WeakPolarHBondContact O-CG 3.3Å; H51-Q55 PolarHBondContact O-N 2.91Å
52Q83.9Confident72.2Confident84 Ų8497 Ų9739%0.39352%0.523SS..Hα-helixtrans-60.1-40.5174.7-70.6-174.9-15.900111.9F48 A54 Q55 L56F48-Q52 HydrophobicContact CE1-CG 4.38Å; F48-Q52 WeakPolarHBondContact O-CG 3.31Å; F48-Q52 PolarHBondContact O-N 3.42Å; Q52-A54 VanDerWaalsContact C-N 3.32Å; Q52-A54 PolarHBondContact O-N 3.08Å; Q52-Q55 PolarHBondContact O-N 2.93Å; Q52-L56 WeakPolarHBondContact O-CG 3.47Å; Q52-L56 PolarHBondContact O-N 3.35Å
53R83.9Confident73.6Confident158 Ų15899.1 Ų99.160%0.59652%0.517SS*.Hα-helixtrans-65.5-35.1175.9-169.2174.5-169.6164.63112.5N49 N50 H51 K57N49-R53 WeakPolarHBondContact O-CB 3.27Å; N49-R53 PolarHBondContact O-N 2.85Å; N50-R53 PolarHBondContact O-N 3.44Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.28Å; R53-K57 WeakPolarHBondContact O-CB 3.33Å; R53-K57 WeakPolarHBondContact O-CG 3.12Å; R53-K57 PolarHBondContact O-N 3Å; R53-K57 VanDerWaalsContact O-N 3.14Å
54A83.1Confident74.4Confident54 Ų5498.1 Ų98.145%0.44651%0.511SS..Hα-helixtrans-68.5-42.7174.800000111.5N50 H51 Q52 K57 S58N50-A54 WeakPolarHBondContact O-CB 3.37Å; N50-A54 PolarHBondContact O-N 3.33Å; H51-A54 WeakPolarHBondContact O-CB 3.11Å; H51-A54 PolarHBondContact O-N 3.03Å; H51-A54 VanDerWaalsContact O-N 3.12Å; Q52-A54 VanDerWaalsContact C-N 3.32Å; Q52-A54 PolarHBondContact O-N 3.08Å; A54-K57 PolarHBondContact O-N 2.87Å; A54-S58 PolarHBondContact O-N 3.5Å; A54-S58 PolarHBondContact O-OG 2.97Å
55Q86Confident74.8Confident92 Ų9295.6 Ų95.643%0.4350%0.503SS..Hα-helixtrans-64.3-43.4177-70.3179.7-9.900112.5H51 Q52 K57 S58 I59H51-Q55 PolarHBondContact CD2-NE2 3.32Å; H51-Q55 PolarHBondContact NE2-NE2 3.45Å; H51-Q55 WeakPolarHBondContact O-CG 3.3Å; H51-Q55 PolarHBondContact O-N 2.91Å; Q52-Q55 PolarHBondContact O-N 2.93Å; Q55-K57 VanDerWaalsContact C-N 3.31Å; Q55-K57 PolarHBondContact O-N 3.21Å; Q55-S58 WeakPolarHBondContact CA-OG 3.16Å; Q55-S58 PolarHBondContact O-N 3.05Å; Q55-S58 PolarHBondContact O-OG 3.43Å; Q55-I59 VanDerWaalsContact O-CG1 3.3Å; Q55-I59 WeakPolarHBondContact O-CG1 3.17Å; Q55-I59 PolarHBondContact O-N 3.43Å
56L85.6Confident74.8Confident107 Ų107101.6 Ų101.656%0.5652%0.521SS*.Hα-helixtrans-64.9-37175.8-71.8171.7000111.7Q52 I59 L60Q52-L56 WeakPolarHBondContact O-CG 3.47Å; Q52-L56 PolarHBondContact O-N 3.35Å; L56-I59 PolarHBondContact O-N 3.32Å; L56-L60 WeakPolarHBondContact O-CB 3.11Å; L56-L60 WeakPolarHBondContact O-CG 3.26Å; L56-L60 PolarHBondContact O-N 3.29Å
57K79.3Confident74.8Confident132 Ų132103.7 Ų103.757%0.57453%0.531SS*.Hα-helixtrans-65.6-39.5173.9-77.3173.6178.9-179.40112.3R53 A54 Q55 S61R53-K57 WeakPolarHBondContact O-CB 3.33Å; R53-K57 WeakPolarHBondContact O-CG 3.12Å; R53-K57 PolarHBondContact O-N 3Å; R53-K57 VanDerWaalsContact O-N 3.14Å; A54-K57 PolarHBondContact O-N 2.87Å; Q55-K57 VanDerWaalsContact C-N 3.31Å; Q55-K57 PolarHBondContact O-N 3.21Å; K57-S61 WeakPolarHBondContact O-CB 3.16Å; K57-S61 PolarHBondContact O-N 3.48Å; K57-S61 VanDerWaalsContact O-N 3.08Å
58S81.4Confident74.8Confident55 Ų55103.5 Ų103.539%0.38552%0.524SS..Hα-helixtrans-66.1-42.9176.558.50000111.4A54 Q55 S61 Q62A54-S58 PolarHBondContact O-N 3.5Å; A54-S58 PolarHBondContact O-OG 2.97Å; Q55-S58 WeakPolarHBondContact CA-OG 3.16Å; Q55-S58 PolarHBondContact O-N 3.05Å; Q55-S58 PolarHBondContact O-OG 3.43Å; S58-S61 PolarHBondContact O-N 3.32Å; S58-S61 PolarHBondContact O-OG 3.25Å; S58-Q62 WeakPolarHBondContact O-CG 3.41Å; S58-Q62 PolarHBondContact O-N 2.94Å
59I84.1Confident74.6Confident80 Ų80102.6 Ų102.641%0.4153%0.533SS..Hα-helixtrans-64.2-47178.3-67.1165.6000110.9Q55 L56 S61 Q62 I63Q55-I59 VanDerWaalsContact O-CG1 3.3Å; Q55-I59 WeakPolarHBondContact O-CG1 3.17Å; Q55-I59 PolarHBondContact O-N 3.43Å; L56-I59 PolarHBondContact O-N 3.32Å; I59-S61 PolarHBondContact O-N 2.88Å; I59-Q62 PolarHBondContact O-N 3.47Å; I59-Q62 VanDerWaalsContact O-N 3.1Å; I59-I63 HydrophobicContact CG2-CD1 3.51Å; I59-I63 HydrophobicContact CG2-CG1 4.37Å; I59-I63 WeakPolarHBondContact O-CG1 3.48Å; I59-I63 PolarHBondContact O-N 3.2Å; I59-I63 VanDerWaalsContact O-N 3.07Å
60L80.3Confident73.5Confident114 Ų114108.4 Ų108.460%0.59755%0.547SS*.Hα-helixtrans-62.8-32178.3-71.7171.7000112.7L56 N64L56-L60 WeakPolarHBondContact O-CB 3.11Å; L56-L60 WeakPolarHBondContact O-CG 3.26Å; L56-L60 PolarHBondContact O-N 3.29Å; L60-N64 PolarHBondContact O-N 3.25Å; L60-N64 VanDerWaalsContact O-N 3.11Å
61S73.7Confident72.3Confident51 Ų51111.4 Ų111.436%0.35756%0.563SS.*Hα-helixtrans-70.3-30.2175.7760000113.7K57 S58 I59K57-S61 WeakPolarHBondContact O-CB 3.16Å; K57-S61 PolarHBondContact O-N 3.48Å; K57-S61 VanDerWaalsContact O-N 3.08Å; S58-S61 PolarHBondContact O-N 3.32Å; S58-S61 PolarHBondContact O-OG 3.25Å; I59-S61 PolarHBondContact O-N 2.88Å
62Q75.4Confident71Confident153 Ų153117.4 Ų117.472%0.71558%0.581SS**Hα-helixtrans-78.3-38177.5-71.5173.8-700111.8S58 I59S58-Q62 WeakPolarHBondContact O-CG 3.41Å; S58-Q62 PolarHBondContact O-N 2.94Å; I59-Q62 PolarHBondContact O-N 3.47Å; I59-Q62 VanDerWaalsContact O-N 3.1Å
63I77.9Confident69.5Low113 Ų113122.8 Ų122.858%0.57960%0.603SS**Hα-helixtrans-79.8-32.5-176.1-59.9169.9000111.5I59I59-I63 HydrophobicContact CG2-CD1 3.51Å; I59-I63 HydrophobicContact CG2-CG1 4.37Å; I59-I63 WeakPolarHBondContact O-CG1 3.48Å; I59-I63 PolarHBondContact O-N 3.2Å; I59-I63 VanDerWaalsContact O-N 3.07Å
64N61.1Low67.8Low77 Ų77118.6 Ų118.641%0.41260%0.602SS.*  trans-144.886.4-178.2-84.3-60000112.7L60 K66 L67L60-N64 PolarHBondContact O-N 3.25Å; L60-N64 VanDerWaalsContact O-N 3.11Å; N64-K66 PolarHBondContact O-N 3Å; N64-L67 HydrophobicContact CB-CB 4.04Å; N64-L67 HydrophobicContact CB-CD1 3.74Å; N64-L67 HydrophobicContact CB-CG 4.02Å; N64-L67 PolarHBondContact O-N 2.04Å
65P65.6Low66.2Low91 Ų91120.9 Ų120.959%0.59161%0.607SS**THydrogen-bonded Turntrans-65.9-5.8179.127-35.2000114T68P65-T68 PolarHBondContact O-OG1 2.8Å
66K59.3Low64.6Low189 Ų189122.8 Ų122.882%0.82263%0.625SS**THydrogen-bonded Turntrans-95.4-14.9175.6-65.5-179.6-178.21740113.8N64N64-K66 PolarHBondContact O-N 3Å
67L58.1Low63.4Low138 Ų138125.5 Ų125.572%0.72363%0.632SS**THydrogen-bonded Turntrans-95.6-15.6178.4-72.8174.4000113.2N64N64-L67 HydrophobicContact CB-CB 4.04Å; N64-L67 HydrophobicContact CB-CD1 3.74Å; N64-L67 HydrophobicContact CB-CG 4.02Å; N64-L67 PolarHBondContact O-N 2.04Å
68T56.7Low61.9Low52 Ų52125.6 Ų125.632%0.31964%0.639SS.*SBendtrans-66.1127.116650.80000108.6P65 R70P65-T68 PolarHBondContact O-OG1 2.8Å; T68-R70 PolarHBondContact O-N 3.12Å
69P54.8Low60.7Low119 Ų119129 Ų12977%0.77366%0.657SS**  trans-56.1110.4168.822.9-30.1000105.9L71P69-L71 PolarHBondContact O-N 3.06Å
70R54.7Low58.7Low213 Ų213129.5 Ų129.580%0.80467%0.673SS**  trans-47.5111.4179.6-77.5-175169.2162.2-3.6106.3T68 R72T68-R70 PolarHBondContact O-N 3.12Å; R70-R72 PolarHBondContact O-N 2.84Å
71L51Low57.7Low157 Ų157129.4 Ų129.482%0.82268%0.677SS**  trans-58.688.9171-95.1149.1000105.8P69 K73P69-L71 PolarHBondContact O-N 3.06Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.66Å
72R55.9Low56.7Low236 Ų236135.5 Ų135.589%0.89170%0.7SS**  trans-55.3108.5162.9-79-172.6176.3165.8-0.4104R70R70-R72 PolarHBondContact O-N 2.84Å
73K52.3Low55.5Low197 Ų197133.9 Ų133.986%0.85770%0.7SS**SBendtrans34.994167.5-155.9102.2176.3-173.30112.2L71 N75L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.66Å; K73-N75 PolarHBondContact O-N 3.32Å
74A48.4Very low53.7Low70 Ų70133.7 Ų133.758%0.57970%0.701SS**  trans-41.4117.9171.400000109.4T76A74-T76 VanDerWaalsContact C-N 3.35Å; A74-T76 PolarHBondContact O-N 2.63Å
75N48.3Very low53.4Low102 Ų102136.1 Ų136.155%0.54572%0.721SS.*  trans-65.799.4174.2-178.416.8000106.2K73 K77K73-N75 PolarHBondContact O-N 3.32Å; N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact OD1-CB 3.31Å; N75-K77 WeakPolarHBondContact OD1-CB 3.4Å; N75-K77 VanDerWaalsContact OD1-CD 3.3Å; N75-K77 WeakPolarHBondContact OD1-CD 3.31Å; N75-K77 WeakPolarHBondContact OD1-CG 3.4Å
76T53.5Low52.8Low133 Ų133140.8 Ų140.882%0.81673%0.732SS**THydrogen-bonded Turntrans-68.919.6179.656.30000112.9A74A74-T76 VanDerWaalsContact C-N 3.35Å; A74-T76 PolarHBondContact O-N 2.63Å
77K58.8Low52.4Low164 Ų164139.7 Ų139.771%0.71373%0.727SS**THydrogen-bonded Turntrans-85.5-18.3179.9-70.5-178.9-178.4-174.80113.4N75N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact OD1-CB 3.31Å; N75-K77 WeakPolarHBondContact OD1-CB 3.4Å; N75-K77 VanDerWaalsContact OD1-CD 3.3Å; N75-K77 WeakPolarHBondContact OD1-CD 3.31Å; N75-K77 WeakPolarHBondContact OD1-CG 3.4Å
78D48.5Very low51.5Low134 Ų134139.2 Ų139.272%0.71773%0.725SS**SBendtrans-116.120.3-169.6-60.2-28.1000115.1
79V55.8Low51Low125 Ų125142.3 Ų142.376%0.75876%0.756SS**  trans-140.565.7162-169.40000109.1V81V79-V81 HydrophobicContact CG1-CG2 3.96Å; V79-V81 PolarHBondContact O-N 2.93Å
80A43.6Very low50.8Low91 Ų91141.1 Ų141.175%0.75275%0.751SS**  trans-81.291.5159.500000107.3Q82A80-Q82 VanDerWaalsContact C-N 3.27Å; A80-Q82 PolarHBondContact O-N 3.45Å
81V58.8Low50.3Low113 Ų113137.3 Ų137.369%0.68575%0.751SS**  trans-69.996.9160.9178.30000105.6V79 V83V79-V81 HydrophobicContact CG1-CG2 3.96Å; V79-V81 PolarHBondContact O-N 2.93Å; V81-V83 VanDerWaalsContact C-N 3.25Å; V81-V83 PolarHBondContact O-N 3.12Å
82Q51.7Low49.8Very low178 Ų178138.9 Ų138.983%0.83275%0.754SS**  trans-69.388.8171.3-177.5176.1-2500108A80 N84A80-Q82 VanDerWaalsContact C-N 3.27Å; A80-Q82 PolarHBondContact O-N 3.45Å; Q82-N84 PolarHBondContact O-N 3.47Å
83V50.7Low49.2Very low119 Ų119132.5 Ų132.572%0.72174%0.744SS**  trans-76.7117.6163.5-107.90000107.4V81 P85V81-V83 VanDerWaalsContact C-N 3.25Å; V81-V83 PolarHBondContact O-N 3.12Å; V83-P85 WeakPolarHBondContact O-CD 3.46Å
84N40.7Very low49.3Very low110 Ų110128.4 Ų128.459%0.58875%0.747SS**  trans-69.2115178.9-153.1-7000107.7Q82 K86 K87Q82-N84 PolarHBondContact O-N 3.47Å; N84-K86 PolarHBondContact O-N 3.38Å; N84-K87 PolarHBondContact O-N 2.94Å
85P55.1Low49.6Very low128 Ų128131.8 Ų131.883%0.83175%0.754SS**THydrogen-bonded Turntrans-68.59.1-170.226.8-35000114.6V83V83-P85 WeakPolarHBondContact O-CD 3.46Å
86K51.3Low49.6Very low189 Ų189129.3 Ų129.382%0.82275%0.753SS**THydrogen-bonded Turntrans-116-3.8-176.9-67.5-168.9174.9-175.60114.5N84N84-K86 PolarHBondContact O-N 3.38Å
87K51Low49.3Very low165 Ų165129.6 Ų129.672%0.71776%0.757SS**SBendtrans-143.2128.2171.9-72.5-160.9174.8-172.30111.4N84N84-K87 PolarHBondContact O-N 2.94Å
88D38.8Very low49Very low128 Ų128132.4 Ų132.468%0.68476%0.763SS**  trans80.370.7161.1-44.7-26.9000116.1S90D88-S90 PolarHBondContact O-N 3.01Å
89A46.4Very low49.1Very low118 Ų118132.5 Ų132.598%0.97577%0.769SS**  trans-68.633.816000000113.2
90S51.9Low48.7Very low94 Ų94134.5 Ų134.566%0.65777%0.774SS**  trans-138.753.3178.666.40000111.1D88D88-S90 PolarHBondContact O-N 3.01Å
91V43.5Very low48.6Very low133 Ų133139.3 Ų139.381%0.80678%0.781SS**  trans-112.679.6150.2-172.10000106.4C93V91-C93 PolarHBondContact O-N 3.22Å
92Q40.7Very low47.6Very low189 Ų189140.4 Ų140.488%0.88379%0.788SS**  trans-57.8114.4166.3-89.1172.9-43.700108.4
93C43.3Very low47.1Very low102 Ų102141 Ų14169%0.68979%0.794SS**  trans-60.2135.9157.2-64.90000108.4V91 I95V91-C93 PolarHBondContact O-N 3.22Å; C93-I95 PolarHBondContact O-N 3.42Å
94A54Low46.7Very low112 Ų112143.5 Ų143.593%0.92680%0.795SS**THydrogen-bonded Turntrans-65.526175.900000114.6
95I54.3Low46.9Very low140 Ų140149.6 Ų149.672%0.71881%0.81SS**THydrogen-bonded Turntrans-1202.6-173.4-58.3173.6000111.8C93C93-I95 PolarHBondContact O-N 3.42Å
96G49.7Very low46.3Very low51 Ų51148.9 Ų148.953%0.52680%0.798SS.*  trans70168.5173.700000114.2R98G96-R98 PolarHBondContact O-N 3.43Å
97P47.6Very low45.7Very low139 Ų139149.5 Ų149.590%0.90380%0.802SS**  trans-76.890.2-173.431.1-33.9000110.7
98R51Low45.6Very low223 Ų223150.4 Ų150.484%0.84281%0.809SS**  trans-105.4107.6164.9-76.8-172.3175.11690.2110G96 L100G96-R98 PolarHBondContact O-N 3.43Å; R98-L100 PolarHBondContact O-N 2.97Å
99T52.1Low45.8Very low135 Ų135156 Ų15683%0.82882%0.82SS**PPolyproline II helixtrans-64.2121.8169450000110Q101T99-Q101 PolarHBondContact O-N 3.09Å
100L45.4Very low45.2Very low167 Ų167162.6 Ų162.687%0.87482%0.82SS**PPolyproline II helixtrans-68125.8172.8-69.1171.1000109.7R98 T102R98-L100 PolarHBondContact O-N 2.97Å; L100-T102 PolarHBondContact O-N 3.18Å
101Q41.9Very low44.4Very low192 Ų192167 Ų16790%0.89783%0.827SS**PPolyproline II helixtrans-64.8122.1176.6-66.4-179.91.100110.2T99 M103T99-Q101 PolarHBondContact O-N 3.09Å; Q101-M103 PolarHBondContact O-N 3.35Å
102T38.1Very low43.9Very low136 Ų136171.1 Ų171.183%0.83483%0.828SS**  trans-70.6109.5172.841.50000109.3L100 K104L100-T102 PolarHBondContact O-N 3.18Å; T102-K104 PolarHBondContact O-N 3.08Å
103M42.4Very low43.6Very low191 Ų191170.7 Ų170.794%0.94183%0.826SS**  trans-65.1108.8169.3-89.9-146.9166.900109.7Q101 R105Q101-M103 PolarHBondContact O-N 3.35Å; M103-R105 PolarHBondContact O-N 3.43Å
104K41.5Very low43.2Very low172 Ų172173.6 Ų173.675%0.74883%0.829SS**  trans-53.8122.4167.7-103.6178.2164.2-1680110.2T102 D106T102-K104 PolarHBondContact O-N 3.08Å; K104-D106 WeakPolarHBondContact CD-OD2 3.41Å; K104-D106 PolarHBondContact O-N 3.4Å
105R44.7Very low42.7Very low238 Ų238174.2 Ų174.290%0.89882%0.824SS**  trans-79.664.6175.3-159177.4-170.4152.3-0.1109.5M103M103-R105 PolarHBondContact O-N 3.43Å
106D41.8Very low41.7Very low112 Ų112172.1 Ų172.160%0.59983%0.827SS**  trans-113.418.9-178.2-73.6-32000113.9K104K104-D106 WeakPolarHBondContact CD-OD2 3.41Å; K104-D106 PolarHBondContact O-N 3.4Å
107F39.9Very low40.8Very low202 Ų202176.3 Ų176.389%0.88684%0.843SS**  trans-110.628.8179.4-82.6-77.6000115.5
108Q48.2Very low40.6Very low185 Ų185175.7 Ų175.786%0.86484%0.839SS**SBendtrans-122.662.6167.2-78.8-165.7-18.400112.3
109R42.8Very low39.6Very low244 Ų244171.2 Ų171.292%0.92184%0.842SS**  trans-16463.3153-123.6179.6-167.7-177.74.5112.5
110R35.2Very low38.9Very low258 Ų258170.2 Ų170.297%0.97484%0.841SS**  trans-101.290.2154.3-110.2-167.4175.3-156-0.2108.7
111K34.8Very low39.2Very low185 Ų185167.6 Ų167.680%0.80483%0.834SS**PPolyproline II helixtrans-61.2125.7168.3-175.9177.9-178.6-177.20108.2Q113K111-Q113 PolarHBondContact O-N 2.83Å
112R32.1Very low38.9Very low220 Ų220168.6 Ų168.683%0.8384%0.835SS**PPolyproline II helixtrans-62.5118.1167.8-169.1175.4-170.4-117.80.1107.8
113Q34.9Very low39Very low180 Ų180166.2 Ų166.284%0.84183%0.829SS**PPolyproline II helixtrans-100.1134.1167.9-84178.8-14.100108.1K111K111-Q113 PolarHBondContact O-N 2.83Å
114E34.5Very low38.8Very low163 Ų163164.5 Ų164.576%0.76283%0.83SS**  trans-117.9159.4160.8-103.6-147.6157.200109.1
115P43.2Very low38.6Very low126 Ų126160 Ų16082%0.81883%0.832SS**  trans-88.3173.9-153.735.5-34.4000115.5
116A33.8Very low38.3Very low95 Ų95152.2 Ų152.279%0.78583%0.826SS**  trans-88.7164.2-151.400000117.9
117T31.7Very low38.2Very low140 Ų140154.1 Ų154.186%0.85984%0.841SS**  trans-141.2154.4143.248.60000110.8
118P43.1Very low38.5Very low125 Ų125155.4 Ų155.481%0.81284%0.84SS**  trans-111.2144.8-156.437.4-26.1000114.7
119S28.5Very low38.1Very low129 Ų129157.3 Ų157.390%0.90284%0.841SS**  trans-175158.2139.6-165.80000111.4
120S38Very low38.6Very low115 Ų115150.6 Ų150.680%0.80483%0.829SS**  trans-87.2178.9-153.9-103.10000117
121P52Low39Very low112 Ų112149 Ų14973%0.72782%0.823SS**  trans-113.2169-142.842.6-35.9000116.4
122K36.3Very low39.7Very low212 Ų212145 Ų14592%0.92282%0.815SS**  -173.4144.1126-111.3169.1-179.7174.20114
123A39.9Very low40.5Very low87 Ų87142.4 Ų142.472%0.71982%0.816SS**  trans-83.3163.4177.600000113
124T37.2Very low41.3Very low154 Ų154138.3 Ų138.395%0.94581%0.813SS**  trans161.9137.2139.137.40000108
125G37.2Very low41.8Very low77 Ų77137.6 Ų137.679%0.79482%0.82SS**  cis173.4159.50.700000110
126G38.4Very low41.5Very low76 Ų76141.7 Ų141.778%0.78482%0.82SS**  trans77.3146.9155.500000117.5
127V40.2Very low41.9Very low151 Ų151141.7 Ų141.792%0.91582%0.815SS**  cis-156.7157.29.9172.80000108.1
128R46Very low42.9Very low229 Ų229139.5 Ų139.586%0.86480%0.803SS**  trans-84.2144.1-172.6-59.3178.6-179-179.70.6113.8
129Y41Very low42.8Very low226 Ų226141.2 Ų141.289%0.88680%0.804SS**  trans-6.1164.5145.4-67.9-87.6000119.5
130P53.3Low43.4Very low103 Ų103139.4 Ų139.467%0.66980%0.796SS**  cis-157.4178.435.240-16.4000120.1
131R44Very low43.9Very low224 Ų224144.9 Ų144.985%0.84580%0.801SS**  trans69.3151.2147-95.8178.7165.1111.8-1.6117.6
132T49.3Very low43.7Very low102 Ų102150.6 Ų150.663%0.62681%0.808SS**  cis-173.2160.324.24.70000110.4
133L47.3Very low44Very low164 Ų164145.3 Ų145.386%0.85980%0.798SS**  trans78.7128.9140.2-68.9163.6000121.9
134A52.7Low44.3Very low94 Ų94147.4 Ų147.478%0.77780%0.801SS**  trans-76.2149.8170.300000112.1
135V44Very low44.4Very low149 Ų149145.9 Ų145.990%0.90379%0.792SS**  trans-132.6125.4158.3-1800000107.8
136Y38.3Very low44.4Very low211 Ų211146.9 Ų146.983%0.82779%0.787SS**  trans-95163.3177.3-163.2-107.8000109.8
137S42.2Very low44.5Very low96 Ų96152.8 Ų152.867%0.67179%0.791SS**  trans93.4164.9149.883.30000118.1
138P51.7Low44.4Very low94 Ų94153.1 Ų153.161%0.6179%0.787SS**  -146.2174.3-54.841-23.6000113.7
139I41.5Very low43.8Very low161 Ų161147.4 Ų147.483%0.82678%0.778SS**  trans62.2127148.3-61.6151.4000120
140A41.5Very low43.4Very low91 Ų91143.8 Ų143.875%0.75277%0.773SS**  164.9119.8112.100000113
141Y48.3Very low42.7Very low229 Ų229147.2 Ų147.290%0.89878%0.781SS**  trans-76.3140.3160.3-102.5-100.7000110.7
142R47.4Very low42.2Very low232 Ų232143.3 Ų143.388%0.87578%0.777SS**  trans-164.5112.7150.5-76.7-148.6156.2-178.5-9.8110.1
143S42.4Very low41.4Very low102 Ų102144.3 Ų144.371%0.71378%0.778SS**  69.3138105.179.70000113.9
144V45.9Very low40.7Very low130 Ų130142.2 Ų142.279%0.78877%0.768SS**  cis-165.2157.239.7-170.20000108.3
145T40.9Very low39.8Very low123 Ų123145.8 Ų145.876%0.75577%0.766SS**  trans-76.9173.7167.9450000114.5
146S37Very low39.1Very low97 Ų97145.9 Ų145.968%0.67876%0.761SS**  trans87.9110.3149.548.70000122.8
147F40.3Very low38.9Very low201 Ų201140.4 Ų140.488%0.88276%0.759SS**  trans43.3128130.1-61.7-79.6000122.5
148L36.8Very low38.5Very low158 Ų158140.8 Ų140.883%0.82776%0.762SS**  trans-165.8119.9135.1-84.9-171.1000107.6
149V33.8Very low37.4Very low109 Ų109140.3 Ų140.366%0.66176%0.761SS**  80.3114.277.5168.70000112.5
150D33.1Very low36.9Very low149 Ų149141.3 Ų141.380%0.79776%0.762SS**  169.6146.1110-101.6-37.4000114.2
151E37.4Very low36.3Very low176 Ų176141 Ų14182%0.82276%0.76SS**  trans-68.2153.1176.8-63.2172.5103.500112.5
152N33.8Very low35.2Very low142 Ų142136.9 Ų136.976%0.75976%0.758SS**  158.6138.7103.5-145.6-2.7000113.8
153N32.3Very low34.1Very low123 Ų123131.3 Ų131.366%0.65875%0.751SS**  trans76.9106.3147.9-114.6-6.4000121
154N32.8Very low33.2Very low120 Ų120132.3 Ų132.364%0.64275%0.753SS**  148.7138.373.2-141.1-15.1000112
155K34Very low32.3Very low169 Ų169131.9 Ų131.974%0.73575%0.75SS**  trans69.1123.9161.9-65.9177.9179.9176.50118
156D30.7Very low31.5Very low151 Ų151133.2 Ų133.281%0.80775%0.748SS**  cis-142.5138.812.5-77.2-49.2000111.4
157A32.9Very low31.2Very low95 Ų95134.9 Ų134.979%0.78575%0.748SS**  trans-51.3165.1157.600000111.7
158S34.1Very low30.7Very low105 Ų105134.2 Ų134.273%0.73475%0.747SS**  cis179178.2-2.359.70000102.9
159S29Very low30.2Very low84 Ų84129.7 Ų129.759%0.58774%0.739SS**  cis-176.3139.25.221.40000105.2
160E29.8Very low30.2Very low181 Ų181131.5 Ų131.585%0.84675%0.745SS**  57.9109.8129.3-58-179.9165.300118.8
161A29Very low30.5Very low86 Ų86130.3 Ų130.371%0.71175%0.746SS**  82.1110.587.500000113.3
162T25.6Very low30.1Very low141 Ų141124.8 Ų124.887%0.86574%0.736SS**  -179.8156.711720.50000112.8
163T25.3Very low29.9Very low116 Ų116127.1 Ų127.171%0.71274%0.742SS**  trans-37.2162.5172.314.30000120.6
164T23.7Very low29.7Very low123 Ų123123.8 Ų123.876%0.75574%0.737SS**  trans86.2124.1143.344.20000122
165V26.6Very low29.5Very low121 Ų121123.6 Ų123.673%0.73374%0.74SS**  91117.1128.2167.70000119.4
166E24.4Very low29.3Very low151 Ų151124.3 Ų124.371%0.70675%0.746SS**  trans69.4118.4141.4-55.6-80.1120.200119.4
167L30.3Very low29.1Very low131 Ų131120.3 Ų120.369%0.68674%0.74SS**  75.6123.981.4-111.4161.5000113.7
168H30.1Very low28.7Very low187 Ų187122.4 Ų122.487%0.86674%0.744SS**  trans153.1140.6141.5-88.7-66.4000110.6
169G25.9Very low28.3Very low64 Ų64122.3 Ų122.366%0.6675%0.749SS**  cis-175.5157.57.300000113
170D33.1Very low28.3Very low147 Ų147122.6 Ų122.679%0.78676%0.757SS**  trans-44.1171.4154.5-129.2-69.7000113.9G172D170-G172 PolarHBondContact OD1-N 3.01Å
171P40.1Very low28.2Very low124 Ų124117.7 Ų117.781%0.80575%0.747SS**  -139.4142.586.731.2-12.9000113.6
172G29Very low28.1Very low59 Ų59122 Ų12261%0.60875%0.752SS**  84.6140.777.300000109.7D170D170-G172 PolarHBondContact OD1-N 3.01Å
173E29.6Very low28.2Very low191 Ų191122.1 Ų122.189%0.89374%0.743SS**  cis177.3164.824.9-147.9168.7155.500104.2
174G27.3Very low28.4Very low53 Ų53123.6 Ų123.655%0.54674%0.742SS.*  cis-166.8160.717.600000110.4
175T30Very low28.6Very low116 Ų116123.8 Ų123.871%0.71274%0.738SS**  79.513499.756.80000112.7
176E28.3Very low28.7Very low184 Ų184120.6 Ų120.686%0.8673%0.73SS**  cis-175153.713.7-110.6170.3-173.800109.3
177G26.3Very low29Very low67 Ų67122.3 Ų122.369%0.69174%0.738SS**  trans80.1156.8142.400000119.4
178T25.1Very low28.9Very low140 Ų140120.9 Ų120.986%0.85975%0.745SS**  cis177.8158.3-6.415.80000105.9
179A26.8Very low28.8Very low103 Ų103114.8 Ų114.885%0.85173%0.733SS**  trans74.1156.5160.500000118.5
180A27.6Very low28.9Very low90 Ų90120.3 Ų120.374%0.74474%0.741SS**  cis177.1156.5-24.600000106.2
181A28.8Very low28.7Very low77 Ų77119.9 Ų119.964%0.63674%0.739SS**  trans71.5119.7151.400000119
182E27.3Very low28.1Very low176 Ų176117.5 Ų117.582%0.82274%0.737SS**  81.8145.595.7-71.2176-176.100111.2
183E27.1Very low28.1Very low144 Ų144123.9 Ų123.967%0.67375%0.748SS**  cis-165.3168.7-0.6-118.6-164.2175.300107.3
184E29.4Very low27.9Very low147 Ų147120.4 Ų120.469%0.68774%0.74SS**  trans19.4153.7141.9-54.3-162.3153.600121.2
185N27.8Very low27.8Very low127 Ų127122.4 Ų122.468%0.67975%0.751SS**  cis-177.6164.940.2-139.8-36.2000105
186G27.5Very low27.6Very low55 Ų55126.6 Ų126.657%0.56776%0.759SS**  cis-171.3154.710.200000106.6
187E31.3Very low27.6Very low187 Ų187122.8 Ų122.887%0.87475%0.753SS**  63.6139.597-77.1-172.8133.400113.7
188A28.3Very low28Very low101 Ų101125 Ų12584%0.83576%0.756SS**  cis-158.2174.413.300000106.4
189G27.8Very low28.3Very low58 Ų58126.8 Ų126.860%0.59875%0.754SS**  cis-162162.113.400000109
190E28.4Very low28.5Very low180 Ų180127.5 Ų127.584%0.84175%0.75SS**  67.6119.496.4-82.8-163.2155.600110.7
191D28.9Very low28.7Very low139 Ų139127.5 Ų127.574%0.74375%0.745SS**  cis-161.7146.829.7-60.3-57000107
192G27.1Very low28.7Very low73 Ų73132.3 Ų132.375%0.75375%0.754SS**  109.7123.368.100000111.1
193K28.7Very low29.1Very low194 Ų194133 Ų13384%0.84375%0.754SS**  trans99.1107.8143.2-136.7124177.8-173.70120.1
194T25.5Very low29.1Very low118 Ų118136 Ų13672%0.72477%0.765SS**  trans66.1109.5134.141.20000121.5
195A26.8Very low29.1Very low95 Ų95137.9 Ų137.979%0.78577%0.771SS**  65.7133111.700000120.7
196K25.1Very low29.2Very low203 Ų203140 Ų14088%0.88378%0.782SS**  trans100.198.5146.8-130.9171.7-177.6179.20116.6
197S27.9Very low29.5Very low105 Ų105146.1 Ų146.173%0.73480%0.795SS**  trans-36.4146.1143.3-170.80000110.9
198P35.3Very low29.8Very low114 Ų114142.1 Ų142.174%0.7479%0.786SS**  -150.8172.458.935.6-11.7000118.2
199E30.5Very low30Very low176 Ų176146.9 Ų146.982%0.82279%0.791SS**  trans-49.1157.8159.2-71.8-168.6117.800111.8
200P31.7Very low30.1Very low118 Ų118150.5 Ų150.577%0.76680%0.801SS**  -142.6145.7101.232.1-15000114.9
201S30.8Very low30.1Very low91 Ų91151.4 Ų151.464%0.63680%0.802SS**  trans-40.7144.6153.453.30000114.5
202H29.3Very low30.1Very low178 Ų178148.5 Ų148.582%0.82481%0.805SS**  trans-161.2131.2135-113.5-84.7000112.8
203K35.2Very low30.4Very low190 Ų190153.7 Ų153.783%0.82681%0.809SS**  trans-75.7143175.3-63.2164.3177.3168.80110.4
204F28.6Very low30.6Very low206 Ų206153 Ų15390%0.90481%0.814SS**  trans-144.7128.8146.9-90.8-78.7000111.7
205K28.1Very low31.2Very low188 Ų188151.6 Ų151.682%0.81782%0.815SS**  trans-80.9146.9168.1-71.6172.1171177.80108.8
206L30Very low32.3Very low171 Ų171152.2 Ų152.290%0.89581%0.81SS**  158.8127.5117.1-81.2163.7000110.9
207Q34.2Very low32.8Very low183 Ų183148.6 Ų148.686%0.85581%0.808SS**  trans-63.4-179.5161.2-69.6179.6-12.600110.3
208P38.6Very low33.6Very low104 Ų104149.1 Ų149.168%0.67581%0.806SS**  cis-145.7168.716.939.4-18.3000116.7
209Q31Very low33.7Very low200 Ų200148.2 Ų148.294%0.93581%0.809SS**  trans-136.6132.7151.3-74.4-163.65.700111.3
210V29.7Very low34.1Very low134 Ų134147.5 Ų147.581%0.81281%0.805SS**  trans-102.5144.1-178.6174.10000107.6
211K29.6Very low34.6Very low199 Ų199150.9 Ų150.987%0.86581%0.811SS**  151.2131.1124.4-163.1169-172.2-178.90112.3
212G28.6Very low35.3Very low78 Ų78151.8 Ų151.880%0.80482%0.817SS**  trans157.174.3167.700000113.2
213E33.3Very low36.1Very low182 Ų182153.5 Ų153.585%0.8582%0.822SS**  trans-67.2142173.4-80.6173.19900113.5
214L33.2Very low36.3Very low180 Ų180147.5 Ų147.594%0.94281%0.814SS**  trans-162.8114.8131.4-110.9129.1000108.4
215A38.5Very low37.4Very low89 Ų89147 Ų14774%0.73681%0.811SS**  trans-94-175.9-176.300000112.1
216P49Very low38.6Very low107 Ų107143 Ų14370%0.69581%0.813SS**  -123.2-171.3-50.731.3-12.2000111
217P35.6Very low40Very low127 Ų127145.4 Ų145.483%0.82581%0.81SS**  -133.2142.4111.236.1-26.8000113.7A219P217-A219 PolarHBondContact O-N 3.43Å
218V44.9Very low41.2Very low117 Ų117140.4 Ų140.471%0.70979%0.792SS**  trans-59117.1179.7-1740000110.2
219A37.7Very low42Very low95 Ų95146.3 Ų146.379%0.78580%0.801SS**  trans-104.795.9160.500000107.6P217 E221P217-A219 PolarHBondContact O-N 3.43Å; A219-E221 PolarHBondContact O-N 2.06Å
220E37.8Very low43.4Very low161 Ų161142.2 Ų142.275%0.75278%0.78SS**  trans-28.5110.6167.6-72.9-74.2140.800113.3S222E220-S222 PolarHBondContact O-N 2.69Å
221E43.5Very low45.3Very low189 Ų189140.6 Ų140.688%0.88376%0.764SS**  trans-66.481.5163.4-82.4-174.4142.600109.5A219 K223A219-E221 PolarHBondContact O-N 2.06Å; E221-K223 PolarHBondContact O-N 3.3Å; E221-K223 VanDerWaalsContact O-N 3.15Å
222S45.2Very low47.5Very low109 Ų109134.1 Ų134.176%0.76274%0.736SS**  trans-68.9110.6158.956.80000108E220 G224E220-S222 PolarHBondContact O-N 2.69Å; S222-G224 PolarHBondContact O-N 3.2Å
223K45.9Very low50.2Low215 Ų215131 Ų13194%0.93570%0.7SS**  trans-55.580.4168.9-71.3177.1178.2174.40110E221E221-K223 PolarHBondContact O-N 3.3Å; E221-K223 VanDerWaalsContact O-N 3.15Å
224G39.1Very low52.6Low63 Ų63126 Ų12665%0.64968%0.677SS**  trans-83.7112.4172.900000108.7S222 A226S222-G224 PolarHBondContact O-N 3.2Å; G224-A226 PolarHBondContact O-N 3.08Å
225K52.1Low55.2Low195 Ų195118.7 Ų118.785%0.84864%0.638SS**  trans-21.9124159.1-61.3169.7-179.5178.40109.7R227K225-R227 WeakPolarHBondContact O-CA 3.5Å; K225-R227 PolarHBondContact O-N 2.81Å
226A53.8Low57.6Low104 Ų104115 Ų11586%0.8661%0.606SS**  trans-45.588.3-176.900000110.9G224 V228G224-A226 PolarHBondContact O-N 3.08Å; A226-V228 PolarHBondContact O-N 3.05Å; A226-V228 VanDerWaalsContact O-N 3.08Å
227R59.4Low59.5Low223 Ų223110.9 Ų110.984%0.84258%0.576SS**  trans-75.8108.4-178.9-171.4177.2-177.7179.30.7102.4K225 R229K225-R227 WeakPolarHBondContact O-CA 3.5Å; K225-R227 PolarHBondContact O-N 2.81Å; R227-R229 PolarHBondContact O-N 3.04Å
228V58.6Low62.1Low77 Ų77104.8 Ų104.847%0.46754%0.537SS..  trans-40.9108.4173.3179.40000106.6A226 F230A226-V228 PolarHBondContact O-N 3.05Å; A226-V228 VanDerWaalsContact O-N 3.08Å; V228-F230 HydrophobicContact CB-CD2 4.44Å; V228-F230 HydrophobicContact CB-CE1 4.41Å; V228-F230 HydrophobicContact CB-CE2 3.99Å; V228-F230 HydrophobicContact CB-CZ 3.97Å; V228-F230 HydrophobicContact CG1-CD1 4.01Å; V228-F230 HydrophobicContact CG1-CD2 4.39Å; V228-F230 HydrophobicContact CG1-CE1 3.75Å; V228-F230 HydrophobicContact CG1-CE2 4.15Å; V228-F230 HydrophobicContact CG1-CG 4.33Å; V228-F230 HydrophobicContact CG1-CZ 3.82Å; V228-F230 VanDerWaalsContact O-CD2 3.24Å; V228-F230 WeakPolarHBondContact O-CD2 3.32Å; V228-F230 PolarHBondContact O-N 2.95Å
229R56.6Low64.4Low229 Ų229100 Ų10086%0.86451%0.506SS*.  trans-75.983.9179.7-77.3-170.6172.1-172.6-1.1105.3R227 Q231 I333R227-R229 PolarHBondContact O-N 3.04Å; R229-Q231 PolarHBondContact O-N 3.14Å; R229-I333 VanDerWaalsContact O-CD1 3.28Å; R229-I333 WeakPolarHBondContact O-CD1 3.47Å
230F58.6Low67.1Low113 Ų11395.5 Ų95.550%0.49647%0.469SS..  trans-57106172.3-64.7-74.9000107.7V228 F232V228-F230 HydrophobicContact CB-CD2 4.44Å; V228-F230 HydrophobicContact CB-CE1 4.41Å; V228-F230 HydrophobicContact CB-CE2 3.99Å; V228-F230 HydrophobicContact CB-CZ 3.97Å; V228-F230 HydrophobicContact CG1-CD1 4.01Å; V228-F230 HydrophobicContact CG1-CD2 4.39Å; V228-F230 HydrophobicContact CG1-CE1 3.75Å; V228-F230 HydrophobicContact CG1-CE2 4.15Å; V228-F230 HydrophobicContact CG1-CG 4.33Å; V228-F230 HydrophobicContact CG1-CZ 3.82Å; V228-F230 VanDerWaalsContact O-CD2 3.24Å; V228-F230 WeakPolarHBondContact O-CD2 3.32Å; V228-F230 PolarHBondContact O-N 2.95Å; F230-F232 HydrophobicContact CB-CD2 4.14Å; F230-F232 HydrophobicContact CB-CE1 4.14Å; F230-F232 HydrophobicContact CB-CE2 3.51Å; F230-F232 HydrophobicContact CB-CZ 3.5Å; F230-F232 HydrophobicContact CG-CZ 4.22Å; F230-F232 WeakPolarHBondContact O-CD2 3.38Å; F230-F232 WeakPolarHBondContact O-CE2 3.35Å; F230-F232 PolarHBondContact O-N 2.79Å; F230-F232 VanDerWaalsContact O-N 3.13Å
231Q70.4Confident69.8Low100 Ų10090.6 Ų90.647%0.46745%0.446SS..  trans-81.991.4172.7-166.1128.856.500107.3R229 V257 I333R229-Q231 PolarHBondContact O-N 3.14Å; Q231-V257 HydrophobicContact CG-CB 4.49Å; Q231-V257 HydrophobicContact CG-CG1 3.42Å; Q231-V257 VanDerWaalsContact CG-CG1 3.42Å; Q231-I333 HydrophobicContact CB-CD1 3.66Å
232F75.1Confident72.2Confident64 Ų6481.6 Ų81.628%0.28140%0.404SS..PPolyproline II helixtrans-66.3146177.9-60.7-84.1000109.9F230 Q258 F328 F330F230-F232 HydrophobicContact CB-CD2 4.14Å; F230-F232 HydrophobicContact CB-CE1 4.14Å; F230-F232 HydrophobicContact CB-CE2 3.51Å; F230-F232 HydrophobicContact CB-CZ 3.5Å; F230-F232 HydrophobicContact CG-CZ 4.22Å; F230-F232 WeakPolarHBondContact O-CD2 3.38Å; F230-F232 WeakPolarHBondContact O-CE2 3.35Å; F230-F232 PolarHBondContact O-N 2.79Å; F230-F232 VanDerWaalsContact O-N 3.13Å; F232-Q258 HydrophobicContact CB-CB 4.23Å; F232-Q258 VanDerWaalsContact CD2-OE1 3.29Å; F232-Q258 WeakPolarHBondContact O-CB 3.3Å; F232-Q258 PolarHBondContact O-N 3.38Å; F232-F328 HydrophobicContact CD1-CD1 4.2Å; F232-F328 HydrophobicContact CD1-CE1 4.24Å; F232-F328 HydrophobicContact CE1-CD1 4.23Å; F232-F328 HydrophobicContact CE1-CE1 4.2Å; F232-F330 HydrophobicContact CE1-CE1 4.16Å
233L85.7Confident74.5Confident11 Ų1186.4 Ų86.46%0.05841%0.405CS..EExtended strand (participates in β ladder)trans-94.4124.5167.7-85.263.3000107.8W255 C256 Y264 F265 K331L233-W255 HydrophobicContact CB-CB 4.35Å; L233-W255 HydrophobicContact CB-CE3 4.03Å; L233-W255 HydrophobicContact CD2-CB 3.92Å; L233-W255 HydrophobicContact CG-CB 4.49Å; L233-C256 CarbonylContact C-O 3.56Å; L233-C256 WeakPolarHBondContact CA-O 3.31Å; L233-Y264 HydrophobicContact CD2-CD1 3.66Å; L233-Y264 HydrophobicContact CD2-CG 3.81Å; L233-F265 HydrophobicContact CD2-CD2 4.16Å; L233-F265 HydrophobicContact CD2-CE2 3.68Å; L233-K331 HydrophobicContact CD1-CB 3.91Å; L233-K331 HydrophobicContact CD1-CD 4.1Å
234E84.7Confident76.7Confident77 Ų7781.3 Ų81.336%0.3639%0.385SS..EExtended strand (participates in β ladder)trans-94.1137.7176.9-175.3170.6-165.600109.7K236 W255 C256E234-K236 HydrophobicContact CG-CG 4.43Å; E234-W255 WeakPolarHBondContact O-CA 3.12Å; E234-C256 PolarHBondContact N-O 2.68Å; E234-C256 PolarHBondContact O-N 2.99Å
235Q86.1Confident79.3Confident27 Ų2779.9 Ų79.913%0.12636%0.364CS..EExtended strand (participates in β ladder)trans-81.2125.9175-165.2-179.622.300109.3A252 Y253 V254 W255 I284Q235-A252 WeakPolarHBondContact CG-O 3.41Å; Q235-A252 PolarHBondContact NE2-O 3.01Å; Q235-Y253 VanDerWaalsContact NE2-CD1 3.34Å; Q235-V254 CarbonylContact C-O 3.44Å; Q235-V254 WeakPolarHBondContact CA-O 3.4Å; Q235-W255 HydrophobicContact CB-CE3 4.22Å; Q235-W255 HydrophobicContact CB-CH2 3.94Å; Q235-W255 HydrophobicContact CB-CZ2 4.41Å; Q235-W255 HydrophobicContact CB-CZ3 3.84Å; Q235-W255 HydrophobicContact CG-CH2 4.19Å; Q235-W255 HydrophobicContact CG-CZ2 4.19Å; Q235-W255 HydrophobicContact CG-CZ3 4.48Å; Q235-I284 HydrophobicContact CB-CD1 4.26Å; Q235-I284 HydrophobicContact CG-CD1 3.76Å
236K88.8Confident81.3Confident13 Ų1376.5 Ų76.56%0.05736%0.355CS..EExtended strand (participates in β ladder)trans-127.1160179.9-66-156176.5-145.70110.9E234 A252 V254 C256 N261 V281 E282 D283E234-K236 HydrophobicContact CG-CG 4.43Å; K236-A252 CarbonylContact O-C 3.42Å; K236-V254 PolarHBondContact N-O 3.48Å; K236-V254 VanDerWaalsContact O-CB 3.32Å; K236-V254 WeakPolarHBondContact O-CB 3.42Å; K236-V254 PolarHBondContact O-N 3.48Å; K236-C256 HydrophobicContact CD-CB 4.1Å; K236-C256 HydrophobicContact CG-CB 4.28Å; K236-N261 PolarHBondContact NZ-OD1 2.77Å; K236-V281 HydrophobicContact CB-CG1 3.58Å; K236-V281 HydrophobicContact CD-CG1 3.57Å; K236-V281 HydrophobicContact CG-CG1 4.18Å; K236-E282 WeakPolarHBondContact CB-O 3.5Å; K236-D283 WeakPolarHBondContact CD-OD1 3.32Å; K236-D283 WeakPolarHBondContact CE-OD1 3.38Å; K236-D283 IonicContact NZ-OD1 2.7Å; K236-D283 PolarHBondContact NZ-OD1 3.08Å
237Y89.1Confident83.1Confident19 Ų1974 Ų748%0.07533%0.327CS..EExtended strand (participates in β ladder)trans-82.4136.9168.8-158.2-101.1000109.3Y239 E250 A252 V281 E282Y237-Y239 HydrophobicContact CD1-CD2 4.38Å; Y237-Y239 AromaticContact CD1-CE2 3.73Å; Y237-Y239 HydrophobicContact CD1-CE2 3.73Å; Y237-Y239 AromaticContact CD1-CZ 3.87Å; Y237-Y239 HydrophobicContact CE1-CE1 4.12Å; Y237-Y239 AromaticContact CE1-CE2 3.99Å; Y237-Y239 HydrophobicContact CE1-CE2 3.99Å; Y237-Y239 AromaticContact CE1-CZ 3.67Å; Y237-E250 HydrophobicContact CE1-CB 3.83Å; Y237-E250 HydrophobicContact CE1-CG 4.33Å; Y237-E250 VanDerWaalsContact CE1-OE2 3.31Å; Y237-E250 WeakPolarHBondContact CE1-OE2 3.41Å; Y237-E250 VanDerWaalsContact CZ-OE2 3.32Å; Y237-E250 VanDerWaalsContact OH-CB 3.23Å; Y237-E250 WeakPolarHBondContact OH-CB 3.42Å; Y237-E250 PolarHBondContact OH-OE2 3.24Å; Y237-A252 HydrophobicContact CD2-CB 3.93Å; Y237-A252 HydrophobicContact CE2-CB 4.29Å; Y237-V281 CarbonylContact O-C 3.54Å; Y237-V281 WeakPolarHBondContact O-CA 3.45Å; Y237-E282 WeakPolarHBondContact CA-O 3.29Å; Y237-E282 PolarHBondContact N-O 3.48Å; Y237-E282 PolarHBondContact O-N 3.06Å
238G91.7Very high84.8Confident0 Ų072.6 Ų72.60%032%0.322CS..EExtended strand (participates in β ladder)trans-142.4149.4177.800000113.8E250 S251 R280G238-E250 WeakPolarHBondContact O-CA 3.44Å; G238-S251 PolarHBondContact N-O 3.48Å; G238-S251 PolarHBondContact O-N 3.03Å; G238-R280 WeakPolarHBondContact CA-O 3.13Å
239Y92.1Very high86.4Confident17 Ų1771.6 Ų71.67%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-107.9132.3-178.7-61.7-98.4000109.9Y237 E250 P278 Y279 R280 E282Y237-Y239 HydrophobicContact CD1-CD2 4.38Å; Y237-Y239 AromaticContact CD1-CE2 3.73Å; Y237-Y239 HydrophobicContact CD1-CE2 3.73Å; Y237-Y239 AromaticContact CD1-CZ 3.87Å; Y237-Y239 HydrophobicContact CE1-CE1 4.12Å; Y237-Y239 AromaticContact CE1-CE2 3.99Å; Y237-Y239 HydrophobicContact CE1-CE2 3.99Å; Y237-Y239 AromaticContact CE1-CZ 3.67Å; Y239-E250 HydrophobicContact CD1-CG 3.57Å; Y239-E250 HydrophobicContact CE1-CG 3.77Å; Y239-E250 WeakPolarHBondContact CE1-OE1 3.21Å; Y239-E250 HydrophobicContact CG-CG 4.44Å; Y239-P278 CarbonylContact O-C 3.55Å; Y239-P278 WeakPolarHBondContact O-CA 3.37Å; Y239-P278 VanDerWaalsContact O-CB 3.26Å; Y239-P278 WeakPolarHBondContact O-CB 3.5Å; Y239-Y279 WeakPolarHBondContact CB-OH 3.35Å; Y239-Y279 WeakPolarHBondContact O-CD1 3.32Å; Y239-Y279 WeakPolarHBondContact O-CE1 3.36Å; Y239-Y279 PolarHBondContact O-N 2.95Å; Y239-R280 HydrophobicContact CD2-CB 3.95Å; Y239-R280 HydrophobicContact CD2-CG 3.83Å; Y239-R280 HydrophobicContact CE2-CG 4.3Å; Y239-R280 HydrophobicContact CG-CB 4.4Å; Y239-R280 PolarHBondContact N-O 2.94Å; Y239-E282 HydrophobicContact CE2-CG 4.16Å; Y239-E282 PolarHBondContact OH-OE2 2.94Å
240Y94.4Very high87.9Confident0 Ų065.6 Ų65.60%029%0.292CS..EExtended strand (participates in β ladder)trans-124148.8-173.8-66.3-95.5000111.7R248 W249 S251 V254 Q267 F276 P278Y240-R248 WeakPolarHBondContact O-CA 3.09Å; Y240-W249 VanDerWaalsContact CB-CZ2 3.4Å; Y240-W249 AromaticContact CD1-CZ2 3.94Å; Y240-W249 HydrophobicContact CD1-CZ2 3.94Å; Y240-W249 AromaticContact CD2-CD1 3.95Å; Y240-W249 AromaticContact CD2-NE1 3.56Å; Y240-W249 HydrophobicContact CG-CD2 4.39Å; Y240-W249 AromaticContact CG-CE2 3.63Å; Y240-W249 AromaticContact CG-CZ2 3.81Å; Y240-W249 HydrophobicContact CG-CZ2 3.81Å; Y240-W249 AromaticContact CG-NE1 3.47Å; Y240-W249 PolarHBondContact N-O 2.91Å; Y240-W249 PolarHBondContact O-N 3.42Å; Y240-W249 VanDerWaalsContact O-N 3.17Å; Y240-S251 VanDerWaalsContact CE2-OG 3.25Å; Y240-S251 WeakPolarHBondContact CE2-OG 3.19Å; Y240-V254 HydrophobicContact CE2-CG2 3.83Å; Y240-V254 WeakPolarHBondContact OH-CG2 3.33Å; Y240-Q267 HydrophobicContact CD1-CB 4.39Å; Y240-Q267 HydrophobicContact CE1-CB 3.79Å; Y240-Q267 HydrophobicContact CE1-CG 4.16Å; Y240-Q267 HydrophobicContact CE2-CG 4.39Å; Y240-Q267 VanDerWaalsContact CE2-OE1 3.3Å; Y240-Q267 VanDerWaalsContact CZ-CD 3.41Å; Y240-Q267 VanDerWaalsContact OH-CD 3.23Å; Y240-Q267 WeakPolarHBondContact OH-CG 3.39Å; Y240-Q267 PolarHBondContact OH-NE2 2.92Å; Y240-F276 HydrophobicContact CD1-CB 4.21Å; Y240-F276 WeakPolarHBondContact CE1-O 3.41Å; Y240-P278 HydrophobicContact CD1-CB 4.17Å; Y240-P278 HydrophobicContact CD2-CB 4.26Å; Y240-P278 HydrophobicContact CE1-CB 3.82Å; Y240-P278 VanDerWaalsContact CE1-CD 3.47Å; Y240-P278 HydrophobicContact CE1-CG 4.1Å; Y240-P278 VanDerWaalsContact CE1-N 3.27Å; Y240-P278 HydrophobicContact CE2-CB 3.88Å; Y240-P278 HydrophobicContact CG-CB 4.38Å
241H94.5Very high89.3Confident58 Ų5861 Ų6127%0.26927%0.274SS..EExtended strand (participates in β ladder)trans-139.3120176.1173.4-94000109.6Y279H241-Y279 HydrophobicContact CB-CD1 4.07Å; H241-Y279 HydrophobicContact CB-CE1 4.1Å
242C95.1Very high90Very high0 Ų056.6 Ų56.60%025%0.254CS..  trans-91.2118.2172.1179.60000109.4E244 C245 N246 L247 W249 C269 C272 F276C242-E244 VanDerWaalsContact C-N 3.32Å; C242-E244 PolarHBondContact O-N 3.42Å; C242-C245 HydrophobicContact CB-CB 4.36Å; C242-C245 PolarHBondContact SG-N 3.14Å; C242-C245 VanDerWaalsContact SG-N 3.43Å; C242-N246 WeakPolarHBondContact O-CA 3.38Å; C242-N246 PolarHBondContact O-N 3.29Å; C242-L247 PolarHBondContact N-O 2.86Å; C242-W249 HydrophobicContact CB-CH2 3.98Å; C242-W249 HydrophobicContact CB-CZ3 3.6Å; C242-C269 HydrophobicContact CB-CB 4.23Å; C242-C269 VanDerWaalsContact SG-SG 3.69Å; C242-C272 VanDerWaalsContact SG-SG 3.69Å; C242-F276 HydrophobicContact CB-CD2 4.41Å; C242-F276 HydrophobicContact CB-CE2 3.92Å; C242-F276 HydrophobicContact CB-CZ 4.01Å; C242-F276 WeakPolarHBondContact SG-CE2 3.16Å; C242-F276 WeakPolarHBondContact SG-CZ 3.17Å
243R92.8Very high90.5Very high210 Ų21054.2 Ų54.279%0.79224%0.244SC*.THydrogen-bonded Turntrans-69.5-26.2179.6-65.3-176.1179.1-172.8-1.8114.2N246R243-N246 PolarHBondContact O-OD1 3.23Å
244E93.2Very high90.6Very high108 Ų10853.7 Ų53.751%0.50524%0.241SC..THydrogen-bonded Turntrans-86.5-39.4-176.2-64.7173-163.900112.1C242 C272 K274C242-E244 VanDerWaalsContact C-N 3.32Å; C242-E244 PolarHBondContact O-N 3.42Å; E244-C272 VanDerWaalsContact CB-SG 3.53Å; E244-K274 VanDerWaalsContact CD-CD 3.49Å; E244-K274 WeakPolarHBondContact OE1-CD 3.28Å; E244-K274 WeakPolarHBondContact OE1-CE 3.23Å; E244-K274 IonicContact OE1-NZ 2.63Å; E244-K274 PolarHBondContact OE1-NZ 3.26Å; E244-K274 WeakPolarHBondContact OE2-CD 3.08Å; E244-K274 VanDerWaalsContact OE2-CE 3.31Å; E244-K274 WeakPolarHBondContact OE2-CE 3.31Å; E244-K274 IonicContact OE2-NZ 2.66Å; E244-K274 PolarHBondContact OE2-NZ 2.95Å
245C93.6Very high90.8Very high33 Ų3350 Ų5022%0.22322%0.224CC..THydrogen-bonded Turntrans-101.6-2.7-175.7-73.90000112.6C242 L247 K271 C272C242-C245 HydrophobicContact CB-CB 4.36Å; C242-C245 PolarHBondContact SG-N 3.14Å; C242-C245 VanDerWaalsContact SG-N 3.43Å; C245-L247 HydrophobicContact CB-CD1 4.4Å; C245-L247 HydrophobicContact CB-CG 4.28Å; C245-L247 PolarHBondContact O-N 3.25Å; C245-K271 HydrophobicContact CB-CB 4.16Å; C245-K271 HydrophobicContact CB-CD 4.17Å; C245-K271 WeakPolarHBondContact SG-CB 3.36Å; C245-C272 WeakPolarHBondContact CB-SG 3.22Å; C245-C272 WeakPolarHBondContact SG-CB 3.36Å; C245-C272 PolarHBondContact SG-N 3.07Å; C245-C272 CovalentContact SG-SG 2.06Å; C245-C272 PolarHBondContact SG-SG 3.1Å
246N93.1Very high90.9Very high123 Ų12348.8 Ų48.866%0.65822%0.218SC*.  trans46.327.2-172.2-68.3-29.5000114.9C242 R243C242-N246 WeakPolarHBondContact O-CA 3.38Å; C242-N246 PolarHBondContact O-N 3.29Å; R243-N246 PolarHBondContact O-OD1 3.23Å
247L92.3Very high90.9Very high52 Ų5249 Ų4927%0.27222%0.22SC..  trans-84.4129176.2-73.4178.4000109.7C242 C245 W249 K271C242-L247 PolarHBondContact N-O 2.86Å; C245-L247 HydrophobicContact CB-CD1 4.4Å; C245-L247 HydrophobicContact CB-CG 4.28Å; C245-L247 PolarHBondContact O-N 3.25Å; L247-W249 HydrophobicContact CB-CE3 4.21Å; L247-W249 HydrophobicContact CB-CZ3 4.33Å; L247-W249 VanDerWaalsContact O-CZ3 3.3Å; L247-W249 WeakPolarHBondContact O-CZ3 3.3Å; L247-K271 HydrophobicContact CD1-CB 4.1Å; L247-K271 HydrophobicContact CD1-CD 3.51Å; L247-K271 HydrophobicContact CD1-CG 3.61Å; L247-K271 HydrophobicContact CG-CD 4.1Å
248R94Very high90.7Very high194 Ų19452.9 Ų52.973%0.73224%0.239SC*.EExtended strand (participates in β ladder)trans-102.9136165.6-70.6178.9172.6164.8-1108.8Y240Y240-R248 WeakPolarHBondContact O-CA 3.09Å
249W91.8Very high90.2Very high55 Ų5556.3 Ų56.321%0.20828%0.275CS..EExtended strand (participates in β ladder)trans-149.616217570.993.9000110.8Y240 C242 L247 C269 F276Y240-W249 VanDerWaalsContact CB-CZ2 3.4Å; Y240-W249 AromaticContact CD1-CZ2 3.94Å; Y240-W249 HydrophobicContact CD1-CZ2 3.94Å; Y240-W249 AromaticContact CD2-CD1 3.95Å; Y240-W249 AromaticContact CD2-NE1 3.56Å; Y240-W249 HydrophobicContact CG-CD2 4.39Å; Y240-W249 AromaticContact CG-CE2 3.63Å; Y240-W249 AromaticContact CG-CZ2 3.81Å; Y240-W249 HydrophobicContact CG-CZ2 3.81Å; Y240-W249 AromaticContact CG-NE1 3.47Å; Y240-W249 PolarHBondContact N-O 2.91Å; Y240-W249 PolarHBondContact O-N 3.42Å; Y240-W249 VanDerWaalsContact O-N 3.17Å; C242-W249 HydrophobicContact CB-CH2 3.98Å; C242-W249 HydrophobicContact CB-CZ3 3.6Å; L247-W249 HydrophobicContact CB-CE3 4.21Å; L247-W249 HydrophobicContact CB-CZ3 4.33Å; L247-W249 VanDerWaalsContact O-CZ3 3.3Å; L247-W249 WeakPolarHBondContact O-CZ3 3.3Å; W249-C269 HydrophobicContact CH2-CB 3.93Å; W249-C269 HydrophobicContact CZ3-CB 4.34Å; W249-F276 HydrophobicContact CH2-CB 4.3Å; W249-F276 AromaticContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CG 4.22Å; W249-F276 HydrophobicContact CZ2-CB 4.43Å; W249-F276 HydrophobicContact CZ2-CD2 4.49Å
250E90.1Very high89.9Confident104 Ų10458.2 Ų58.249%0.48629%0.288SS..EExtended strand (participates in β ladder)trans-127.9148.5-178.2-54.4178.8-171.700109.2Y237 G238 Y239Y237-E250 HydrophobicContact CE1-CB 3.83Å; Y237-E250 HydrophobicContact CE1-CG 4.33Å; Y237-E250 VanDerWaalsContact CE1-OE2 3.31Å; Y237-E250 WeakPolarHBondContact CE1-OE2 3.41Å; Y237-E250 VanDerWaalsContact CZ-OE2 3.32Å; Y237-E250 VanDerWaalsContact OH-CB 3.23Å; Y237-E250 WeakPolarHBondContact OH-CB 3.42Å; Y237-E250 PolarHBondContact OH-OE2 3.24Å; G238-E250 WeakPolarHBondContact O-CA 3.44Å; Y239-E250 HydrophobicContact CD1-CG 3.57Å; Y239-E250 HydrophobicContact CE1-CG 3.77Å; Y239-E250 WeakPolarHBondContact CE1-OE1 3.21Å; Y239-E250 HydrophobicContact CG-CG 4.44Å
251S86.4Confident89.6Confident17 Ų1763.1 Ų63.112%0.11932%0.315CS..EExtended strand (participates in β ladder)trans-152.6140.9177.761.10000112G238 Y240 Y253 Q267G238-S251 PolarHBondContact N-O 3.48Å; G238-S251 PolarHBondContact O-N 3.03Å; Y240-S251 VanDerWaalsContact CE2-OG 3.25Å; Y240-S251 WeakPolarHBondContact CE2-OG 3.19Å; S251-Y253 PolarHBondContact O-N 2.96Å; S251-Q267 PolarHBondContact OG-NE2 2.87Å; S251-Q267 PolarHBondContact OG-OE1 2.95Å
252A85.5Confident89.4Confident7 Ų767.9 Ų67.96%0.05833%0.334CS..EExtended strand (participates in β ladder)trans-83.19171.800000112.5Q235 K236 Y237 I284Q235-A252 WeakPolarHBondContact CG-O 3.41Å; Q235-A252 PolarHBondContact NE2-O 3.01Å; K236-A252 CarbonylContact O-C 3.42Å; Y237-A252 HydrophobicContact CD2-CB 3.93Å; Y237-A252 HydrophobicContact CE2-CB 4.29Å; A252-I284 HydrophobicContact CB-CD1 4.08Å
253Y85.3Confident89.1Confident13 Ų1369.4 Ų69.45%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-110.541.2-174.4-72.3-86.6000111.5Q235 S251 Q267 P305 R307 H309 C324Q235-Y253 VanDerWaalsContact NE2-CD1 3.34Å; S251-Y253 PolarHBondContact O-N 2.96Å; Y253-Q267 VanDerWaalsContact C-NE2 3.35Å; Y253-Q267 PolarHBondContact O-NE2 3.11Å; Y253-P305 PolarHBondContact OH-O 3.37Å; Y253-R307 VanDerWaalsContact CE2-O 3.26Å; Y253-R307 WeakPolarHBondContact CE2-O 3.45Å; Y253-R307 VanDerWaalsContact CZ-O 3.25Å; Y253-R307 PolarHBondContact OH-N 3.4Å; Y253-R307 PolarHBondContact OH-O 2.84Å; Y253-H309 HydrophobicContact CD1-CB 4.4Å; Y253-H309 AromaticContact CD1-CG 3.72Å; Y253-H309 AromaticContact CD1-ND1 3.65Å; Y253-H309 HydrophobicContact CD2-CB 3.31Å; Y253-H309 AromaticContact CD2-CG 3.55Å; Y253-H309 HydrophobicContact CE1-CB 4.41Å; Y253-H309 AromaticContact CE1-CE1 3.94Å; Y253-H309 AromaticContact CE1-CG 3.8Å; Y253-H309 AromaticContact CE1-ND1 3.35Å; Y253-H309 WeakPolarHBondContact CE1-ND1 3.18Å; Y253-H309 HydrophobicContact CE2-CB 3.34Å; Y253-H309 AromaticContact CE2-CG 3.67Å; Y253-H309 AromaticContact CE2-ND1 3.86Å; Y253-H309 HydrophobicContact CG-CB 3.89Å; Y253-H309 AromaticContact CG-CD2 3.92Å; Y253-H309 AromaticContact CG-CG 3.59Å; Y253-H309 AromaticContact CZ-CG 3.78Å; Y253-H309 AromaticContact CZ-ND1 3.47Å; Y253-C324 HydrophobicContact CD1-CB 4.09Å; Y253-C324 HydrophobicContact CE1-CB 4.29Å
254V88.8Confident88.9Confident0 Ų064.4 Ų64.40%033%0.326CS..EExtended strand (participates in β ladder)trans-95.5129.3172.5-171.20000108.2Q235 K236 Y240 V263 P278Q235-V254 CarbonylContact C-O 3.44Å; Q235-V254 WeakPolarHBondContact CA-O 3.4Å; K236-V254 PolarHBondContact N-O 3.48Å; K236-V254 VanDerWaalsContact O-CB 3.32Å; K236-V254 WeakPolarHBondContact O-CB 3.42Å; K236-V254 PolarHBondContact O-N 3.48Å; Y240-V254 HydrophobicContact CE2-CG2 3.83Å; Y240-V254 WeakPolarHBondContact OH-CG2 3.33Å; V254-V263 HydrophobicContact CG1-CB 4.36Å; V254-V263 HydrophobicContact CG1-CG1 3.82Å; V254-V263 HydrophobicContact CG1-CG2 3.65Å; V254-P278 HydrophobicContact CG1-CG 3.97Å
255W88Confident88.7Confident1 Ų161.3 Ų61.30%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-109.5111.4179.4-63.892.6000109.2L233 E234 Q235 V263 Y264 F265L233-W255 HydrophobicContact CB-CB 4.35Å; L233-W255 HydrophobicContact CB-CE3 4.03Å; L233-W255 HydrophobicContact CD2-CB 3.92Å; L233-W255 HydrophobicContact CG-CB 4.49Å; E234-W255 WeakPolarHBondContact O-CA 3.12Å; Q235-W255 HydrophobicContact CB-CE3 4.22Å; Q235-W255 HydrophobicContact CB-CH2 3.94Å; Q235-W255 HydrophobicContact CB-CZ2 4.41Å; Q235-W255 HydrophobicContact CB-CZ3 3.84Å; Q235-W255 HydrophobicContact CG-CH2 4.19Å; Q235-W255 HydrophobicContact CG-CZ2 4.19Å; Q235-W255 HydrophobicContact CG-CZ3 4.48Å; W255-V263 WeakPolarHBondContact O-CA 3.26Å; W255-Y264 PolarHBondContact O-N 3.4Å; W255-F265 HydrophobicContact CB-CD2 3.86Å; W255-F265 AromaticContact CD1-CD2 3.98Å; W255-F265 HydrophobicContact CG-CD2 4.05Å
256C88.9Confident88.6Confident0 Ų065 Ų650%032%0.323CS..EExtended strand (participates in β ladder)trans-104153.3177.5-67.90000110.4L233 E234 K236 Q258 K262L233-C256 CarbonylContact C-O 3.56Å; L233-C256 WeakPolarHBondContact CA-O 3.31Å; E234-C256 PolarHBondContact N-O 2.68Å; E234-C256 PolarHBondContact O-N 2.99Å; K236-C256 HydrophobicContact CD-CB 4.1Å; K236-C256 HydrophobicContact CG-CB 4.28Å; C256-Q258 PolarHBondContact O-N 2.83Å; C256-K262 CarbonylContact C-O 3.47Å; C256-K262 WeakPolarHBondContact CA-O 3.33Å
257V88.1Confident88.5Confident17 Ų1759.8 Ų59.810%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-66.1125.1169.3165.80000108.9Q231 G259 T260 K262Q231-V257 HydrophobicContact CG-CB 4.49Å; Q231-V257 HydrophobicContact CG-CG1 3.42Å; Q231-V257 VanDerWaalsContact CG-CG1 3.42Å; V257-G259 PolarHBondContact O-N 3.09Å; V257-T260 WeakPolarHBondContact CB-OG1 3.07Å; V257-T260 HydrophobicContact CG1-CG2 4.41Å; V257-T260 CarbonylContact O-C 3.46Å; V257-T260 WeakPolarHBondContact O-CA 3.25Å; V257-T260 PolarHBondContact O-N 2.62Å; V257-T260 PolarHBondContact O-OG1 3.05Å; V257-K262 PolarHBondContact N-O 2.99Å
258Q84.3Confident88.5Confident101 Ų10159.6 Ų59.647%0.47229%0.291SS..THydrogen-bonded Turntrans-51.4135.5-177.7-173.5-17822.900111.3F232 C256 T260F232-Q258 HydrophobicContact CB-CB 4.23Å; F232-Q258 VanDerWaalsContact CD2-OE1 3.29Å; F232-Q258 WeakPolarHBondContact O-CB 3.3Å; F232-Q258 PolarHBondContact O-N 3.38Å; C256-Q258 PolarHBondContact O-N 2.83Å; Q258-T260 PolarHBondContact O-N 2.97Å
259G81.9Confident88.5Confident73 Ų7350.3 Ų50.375%0.75326%0.256SS*.THydrogen-bonded Turntrans78.21.3-175.100000114.3V257V257-G259 PolarHBondContact O-N 3.09Å
260T86.6Confident88.4Confident57 Ų5755.7 Ų55.735%0.3528%0.276SS..SBendtrans-136.4162.5175.375.40000111.3V257 Q258 K262V257-T260 WeakPolarHBondContact CB-OG1 3.07Å; V257-T260 HydrophobicContact CG1-CG2 4.41Å; V257-T260 CarbonylContact O-C 3.46Å; V257-T260 WeakPolarHBondContact O-CA 3.25Å; V257-T260 PolarHBondContact O-N 2.62Å; V257-T260 PolarHBondContact O-OG1 3.05Å; Q258-T260 PolarHBondContact O-N 2.97Å; T260-K262 VanDerWaalsContact C-N 3.29Å; T260-K262 PolarHBondContact OG1-N 3.28Å
261N87.5Confident88.5Confident103 Ų10357.6 Ų57.655%0.55128%0.283SS*.  trans-95.219.7171.5-66-24.2000112.3K236 V263K236-N261 PolarHBondContact NZ-OD1 2.77Å; N261-V263 PolarHBondContact O-N 2.81Å
262K89.5Confident88.8Confident157 Ų15758.4 Ų58.468%0.68329%0.288SS*.  trans-82.9113.5-179.1-171.9174.9-177.8175.50110.6C256 V257 T260C256-K262 CarbonylContact C-O 3.47Å; C256-K262 WeakPolarHBondContact CA-O 3.33Å; V257-K262 PolarHBondContact N-O 2.99Å; T260-K262 VanDerWaalsContact C-N 3.29Å; T260-K262 PolarHBondContact OG1-N 3.28Å
263V90.3Very high89Confident32 Ų3264 Ų6419%0.19431%0.313CS..BIsolated β-bridgetrans-73.5133.9-179.7-177.10000111V254 W255 N261 F265 P278 V281V254-V263 HydrophobicContact CG1-CB 4.36Å; V254-V263 HydrophobicContact CG1-CG1 3.82Å; V254-V263 HydrophobicContact CG1-CG2 3.65Å; W255-V263 WeakPolarHBondContact O-CA 3.26Å; N261-V263 PolarHBondContact O-N 2.81Å; V263-F265 WeakPolarHBondContact CG1-O 3.44Å; V263-P278 HydrophobicContact CG2-CG 3.52Å; V263-V281 HydrophobicContact CG2-CG2 4.11Å
264Y87.7Confident89.3Confident106 Ų10668.2 Ų68.242%0.41633%0.332SS..  trans-97.3-35-179.8-164.6-102.7000113L233 W255 K331L233-Y264 HydrophobicContact CD2-CD1 3.66Å; L233-Y264 HydrophobicContact CD2-CG 3.81Å; W255-Y264 PolarHBondContact O-N 3.4Å; Y264-K331 HydrophobicContact CE1-CD 4.25Å; Y264-K331 HydrophobicContact CE2-CD 3.98Å; Y264-K331 VanDerWaalsContact CZ-CE 3.47Å; Y264-K331 WeakPolarHBondContact OH-CE 3.17Å; Y264-K331 PolarHBondContact OH-NZ 2.63Å
265F88.6Confident89.5Confident43 Ų4369.7 Ų69.719%0.18935%0.347CS..SBendtrans-116.5130.9179.5-63.1-67.7000111.3L233 W255 V263 R316L233-F265 HydrophobicContact CD2-CD2 4.16Å; L233-F265 HydrophobicContact CD2-CE2 3.68Å; W255-F265 HydrophobicContact CB-CD2 3.86Å; W255-F265 AromaticContact CD1-CD2 3.98Å; W255-F265 HydrophobicContact CG-CD2 4.05Å; V263-F265 WeakPolarHBondContact CG1-O 3.44Å; F265-R316 HydrophobicContact CB-CB 4.32Å; F265-R316 HydrophobicContact CD1-CB 4.35Å; F265-R316 HydrophobicContact CD2-CB 3.75Å; F265-R316 HydrophobicContact CD2-CG 4.03Å; F265-R316 HydrophobicContact CE2-CB 4.09Å; F265-R316 HydrophobicContact CE2-CG 3.87Å; F265-R316 HydrophobicContact CG-CB 3.89Å; F265-R316 HydrophobicContact CZ-CG 4.27Å
266K91.6Very high89.7Confident111 Ų11171.3 Ų71.348%0.48335%0.354SS..  trans-74.9159.4173.8-55.9-168176.8174.90110.9N277 G315K266-N277 WeakPolarHBondContact CG-OD1 3.2Å; K266-G315 WeakPolarHBondContact O-CA 3.32Å; K266-G315 PolarHBondContact O-N 3.42Å
267Q91.8Very high89.9Confident13 Ų1376.1 Ų76.16%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-115147.5168-69.2-176.214.800110.5Y240 S251 Y253 G275 F276Y240-Q267 HydrophobicContact CD1-CB 4.39Å; Y240-Q267 HydrophobicContact CE1-CB 3.79Å; Y240-Q267 HydrophobicContact CE1-CG 4.16Å; Y240-Q267 HydrophobicContact CE2-CG 4.39Å; Y240-Q267 VanDerWaalsContact CE2-OE1 3.3Å; Y240-Q267 VanDerWaalsContact CZ-CD 3.41Å; Y240-Q267 VanDerWaalsContact OH-CD 3.23Å; Y240-Q267 WeakPolarHBondContact OH-CG 3.39Å; Y240-Q267 PolarHBondContact OH-NE2 2.92Å; S251-Q267 PolarHBondContact OG-NE2 2.87Å; S251-Q267 PolarHBondContact OG-OE1 2.95Å; Y253-Q267 VanDerWaalsContact C-NE2 3.35Å; Y253-Q267 PolarHBondContact O-NE2 3.11Å; Q267-G275 CarbonylContact O-C 3.54Å; Q267-G275 WeakPolarHBondContact O-CA 3.42Å; Q267-F276 PolarHBondContact N-O 2.72Å; Q267-F276 VanDerWaalsContact N-O 3.14Å; Q267-F276 PolarHBondContact O-N 3.22Å
268F92.7Very high90.2Very high47 Ų4776 Ų7621%0.20638%0.38CS..EExtended strand (participates in β ladder)trans-95.9137.4-176-61.4-78.8000110.9Q273 K274 L313 K318F268-Q273 WeakPolarHBondContact CD1-O 3.48Å; F268-K274 WeakPolarHBondContact CA-O 3.44Å; F268-L313 HydrophobicContact CB-CD2 4.36Å; F268-L313 PolarHBondContact N-O 2.8Å; F268-K318 HydrophobicContact CD2-CD 3.53Å; F268-K318 HydrophobicContact CE2-CB 4.36Å; F268-K318 HydrophobicContact CE2-CD 3.37Å; F268-K318 HydrophobicContact CE2-CG 4.47Å; F268-K318 HydrophobicContact CG-CD 4.34Å; F268-K318 HydrophobicContact CZ-CD 4.08Å
269C92.5Very high90.6Very high0 Ų078 Ų780%038%0.384CS..  trans-64137.5170.8177.30000110.1C242 W249 K271 C272 Q273 K274 F276C242-C269 HydrophobicContact CB-CB 4.23Å; C242-C269 VanDerWaalsContact SG-SG 3.69Å; W249-C269 HydrophobicContact CH2-CB 3.93Å; W249-C269 HydrophobicContact CZ3-CB 4.34Å; C269-K271 VanDerWaalsContact C-N 3.29Å; C269-K271 PolarHBondContact O-N 3.4Å; C269-C272 HydrophobicContact CB-CB 4.02Å; C269-Q273 WeakPolarHBondContact O-CA 3.19Å; C269-Q273 PolarHBondContact O-N 3.28Å; C269-K274 PolarHBondContact N-O 3.46Å; C269-F276 HydrophobicContact CB-CD2 4.05Å; C269-F276 HydrophobicContact CB-CE2 3.8Å
270R90.6Very high91.1Very high167 Ų16780.9 Ų80.963%0.6337%0.372SS*.THydrogen-bonded Turntrans-61.5-35.2178.8-176.6179.3172.8-173.7-3.8113.5L313R270-L313 HydrophobicContact CB-CD1 3.84Å; R270-L313 HydrophobicContact CB-CD2 4.49Å; R270-L313 HydrophobicContact CG-CD1 4.27Å
271K92.6Very high91.3Very high145 Ų14579.5 Ų79.563%0.6336%0.363SS*.THydrogen-bonded Turntrans-88.3-57.6-178.9-72.4-179.1-176.4-178.70111.1C245 L247 C269C245-K271 HydrophobicContact CB-CB 4.16Å; C245-K271 HydrophobicContact CB-CD 4.17Å; C245-K271 WeakPolarHBondContact SG-CB 3.36Å; L247-K271 HydrophobicContact CD1-CB 4.1Å; L247-K271 HydrophobicContact CD1-CD 3.51Å; L247-K271 HydrophobicContact CD1-CG 3.61Å; L247-K271 HydrophobicContact CG-CD 4.1Å; C269-K271 VanDerWaalsContact C-N 3.29Å; C269-K271 PolarHBondContact O-N 3.4Å
272C91.9Very high91.4Very high33 Ų3377.4 Ų77.422%0.22335%0.35CS..THydrogen-bonded Turntrans-80.7-15.7-171.9-72.80000113.5C242 E244 C245 C269 K274C242-C272 VanDerWaalsContact SG-SG 3.69Å; E244-C272 VanDerWaalsContact CB-SG 3.53Å; C245-C272 WeakPolarHBondContact CB-SG 3.22Å; C245-C272 WeakPolarHBondContact SG-CB 3.36Å; C245-C272 PolarHBondContact SG-N 3.07Å; C245-C272 CovalentContact SG-SG 2.06Å; C245-C272 PolarHBondContact SG-SG 3.1Å; C269-C272 HydrophobicContact CB-CB 4.02Å; C272-K274 PolarHBondContact O-N 3.11Å
273Q90.3Very high91.3Very high125 Ų12573.9 Ų73.958%0.58434%0.339SS*.  trans49.114.6-172.2-64.7-159.917.800116.4F268 C269F268-Q273 WeakPolarHBondContact CD1-O 3.48Å; C269-Q273 WeakPolarHBondContact O-CA 3.19Å; C269-Q273 PolarHBondContact O-N 3.28Å
274K92.1Very high91.1Very high102 Ų10273.4 Ų73.444%0.44334%0.335SS..  trans-81.5145173.3-73.6171.1-177.91730110.8E244 F268 C269 C272 F276E244-K274 VanDerWaalsContact CD-CD 3.49Å; E244-K274 WeakPolarHBondContact OE1-CD 3.28Å; E244-K274 WeakPolarHBondContact OE1-CE 3.23Å; E244-K274 IonicContact OE1-NZ 2.63Å; E244-K274 PolarHBondContact OE1-NZ 3.26Å; E244-K274 WeakPolarHBondContact OE2-CD 3.08Å; E244-K274 VanDerWaalsContact OE2-CE 3.31Å; E244-K274 WeakPolarHBondContact OE2-CE 3.31Å; E244-K274 IonicContact OE2-NZ 2.66Å; E244-K274 PolarHBondContact OE2-NZ 2.95Å; F268-K274 WeakPolarHBondContact CA-O 3.44Å; C269-K274 PolarHBondContact N-O 3.46Å; C272-K274 PolarHBondContact O-N 3.11Å; K274-F276 HydrophobicContact CB-CE2 3.72Å; K274-F276 HydrophobicContact CB-CZ 4.1Å; K274-F276 WeakPolarHBondContact O-CD2 3.13Å; K274-F276 WeakPolarHBondContact O-CE2 3.24Å
275G92Very high90.9Very high30 Ų3071.2 Ų71.231%0.30933%0.333SS..EExtended strand (participates in β ladder)trans-83.7118.4-177.800000111.6Q267Q267-G275 CarbonylContact O-C 3.54Å; Q267-G275 WeakPolarHBondContact O-CA 3.42Å
276F93.1Very high90.6Very high36 Ų3669.3 Ų69.316%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-109.8148.4178-67.2-86000111Y240 C242 W249 Q267 C269 K274Y240-F276 HydrophobicContact CD1-CB 4.21Å; Y240-F276 WeakPolarHBondContact CE1-O 3.41Å; C242-F276 HydrophobicContact CB-CD2 4.41Å; C242-F276 HydrophobicContact CB-CE2 3.92Å; C242-F276 HydrophobicContact CB-CZ 4.01Å; C242-F276 WeakPolarHBondContact SG-CE2 3.16Å; C242-F276 WeakPolarHBondContact SG-CZ 3.17Å; W249-F276 HydrophobicContact CH2-CB 4.3Å; W249-F276 AromaticContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CG 4.22Å; W249-F276 HydrophobicContact CZ2-CB 4.43Å; W249-F276 HydrophobicContact CZ2-CD2 4.49Å; Q267-F276 PolarHBondContact N-O 2.72Å; Q267-F276 VanDerWaalsContact N-O 3.14Å; Q267-F276 PolarHBondContact O-N 3.22Å; C269-F276 HydrophobicContact CB-CD2 4.05Å; C269-F276 HydrophobicContact CB-CE2 3.8Å; K274-F276 HydrophobicContact CB-CE2 3.72Å; K274-F276 HydrophobicContact CB-CZ 4.1Å; K274-F276 WeakPolarHBondContact O-CD2 3.13Å; K274-F276 WeakPolarHBondContact O-CE2 3.24Å
277N92.4Very high90Very high100 Ų10070.7 Ų70.754%0.53533%0.332SS..  trans-90.4145.6165.4-69.6-15.5000108.5K266K266-N277 WeakPolarHBondContact CG-OD1 3.2Å
278P93.8Very high89.6Confident16 Ų1674.8 Ų74.810%0.10436%0.359CS..  trans-67.3143173.729.3-31.7000109.6Y239 Y240 V254 V263 V281Y239-P278 CarbonylContact O-C 3.55Å; Y239-P278 WeakPolarHBondContact O-CA 3.37Å; Y239-P278 VanDerWaalsContact O-CB 3.26Å; Y239-P278 WeakPolarHBondContact O-CB 3.5Å; Y240-P278 HydrophobicContact CD1-CB 4.17Å; Y240-P278 HydrophobicContact CD2-CB 4.26Å; Y240-P278 HydrophobicContact CE1-CB 3.82Å; Y240-P278 VanDerWaalsContact CE1-CD 3.47Å; Y240-P278 HydrophobicContact CE1-CG 4.1Å; Y240-P278 VanDerWaalsContact CE1-N 3.27Å; Y240-P278 HydrophobicContact CE2-CB 3.88Å; Y240-P278 HydrophobicContact CG-CB 4.38Å; V254-P278 HydrophobicContact CG1-CG 3.97Å; V263-P278 HydrophobicContact CG2-CG 3.52Å; P278-V281 HydrophobicContact CB-CG2 4.12Å; P278-V281 HydrophobicContact CG-CG2 3.65Å
279Y93.3Very high89.2Confident143 Ų14374.3 Ų74.356%0.56136%0.361SS*.SBendtrans-86.1-22.7177.364.4-95.6000112.2Y239 H241Y239-Y279 WeakPolarHBondContact CB-OH 3.35Å; Y239-Y279 WeakPolarHBondContact O-CD1 3.32Å; Y239-Y279 WeakPolarHBondContact O-CE1 3.36Å; Y239-Y279 PolarHBondContact O-N 2.95Å; H241-Y279 HydrophobicContact CB-CD1 4.07Å; H241-Y279 HydrophobicContact CB-CE1 4.1Å
280R91.6Very high88.6Confident132 Ų13280 Ų8050%0.49839%0.391SS..EExtended strand (participates in β ladder)trans-137.7135.7176.1174.6172.5158.4-178.4-7.2108.5G238 Y239 E282G238-R280 WeakPolarHBondContact CA-O 3.13Å; Y239-R280 HydrophobicContact CD2-CB 3.95Å; Y239-R280 HydrophobicContact CD2-CG 3.83Å; Y239-R280 HydrophobicContact CE2-CG 4.3Å; Y239-R280 HydrophobicContact CG-CB 4.4Å; Y239-R280 PolarHBondContact N-O 2.94Å; R280-E282 HydrophobicContact CG-CG 4.39Å; R280-E282 IonicContact CZ-OE1 3.05Å; R280-E282 IonicContact NE-OE1 2.73Å; R280-E282 PolarHBondContact NE-OE1 2.81Å; R280-E282 IonicContact NH2-OE1 2.6Å; R280-E282 PolarHBondContact NH2-OE1 2.91Å
281V90.9Very high88.2Confident29 Ų2978.5 Ų78.518%0.17639%0.389CS..EExtended strand (participates in β ladder)trans-127.8131.7-179.4-178.80000108.2K236 Y237 V263 P278K236-V281 HydrophobicContact CB-CG1 3.58Å; K236-V281 HydrophobicContact CD-CG1 3.57Å; K236-V281 HydrophobicContact CG-CG1 4.18Å; Y237-V281 CarbonylContact O-C 3.54Å; Y237-V281 WeakPolarHBondContact O-CA 3.45Å; V263-V281 HydrophobicContact CG2-CG2 4.11Å; P278-V281 HydrophobicContact CB-CG2 4.12Å; P278-V281 HydrophobicContact CG-CG2 3.65Å
282E90.9Very high87.4Confident58 Ų5874.6 Ų74.627%0.27138%0.384SS..EExtended strand (participates in β ladder)trans-131.4158.5-179.5-62.2-173.5164.100110.3K236 Y237 Y239 R280K236-E282 WeakPolarHBondContact CB-O 3.5Å; Y237-E282 WeakPolarHBondContact CA-O 3.29Å; Y237-E282 PolarHBondContact N-O 3.48Å; Y237-E282 PolarHBondContact O-N 3.06Å; Y239-E282 HydrophobicContact CE2-CG 4.16Å; Y239-E282 PolarHBondContact OH-OE2 2.94Å; R280-E282 HydrophobicContact CG-CG 4.39Å; R280-E282 IonicContact CZ-OE1 3.05Å; R280-E282 IonicContact NE-OE1 2.73Å; R280-E282 PolarHBondContact NE-OE1 2.81Å; R280-E282 IonicContact NH2-OE1 2.6Å; R280-E282 PolarHBondContact NH2-OE1 2.91Å
283D87.3Confident86.7Confident83 Ų8384.2 Ų84.244%0.44442%0.415SS..EExtended strand (participates in β ladder)trans-75.2148.9173.6-60.1-28.7000110.1K236 T285K236-D283 WeakPolarHBondContact CD-OD1 3.32Å; K236-D283 WeakPolarHBondContact CE-OD1 3.38Å; K236-D283 IonicContact NZ-OD1 2.7Å; K236-D283 PolarHBondContact NZ-OD1 3.08Å; D283-T285 VanDerWaalsContact C-N 3.29Å; D283-T285 HydrophobicContact CB-CG2 4.01Å; D283-T285 PolarHBondContact O-N 3.37Å
284I84.8Confident86.1Confident23 Ų2379.7 Ų79.712%0.11840%0.397CS..  trans-75.987.9176.7-59172.8000107.4Q235 A252 A292Q235-I284 HydrophobicContact CB-CD1 4.26Å; Q235-I284 HydrophobicContact CG-CD1 3.76Å; A252-I284 HydrophobicContact CB-CD1 4.08Å; I284-A292 VanDerWaalsContact O-CA 3.25Å; I284-A292 WeakPolarHBondContact O-CA 3.21Å; I284-A292 WeakPolarHBondContact O-CB 3.37Å
285T84.8Confident85.3Confident59 Ų5980.9 Ų80.936%0.36242%0.418SS..  trans-122.8151.2179.460.30000110.9D283D283-T285 VanDerWaalsContact C-N 3.29Å; D283-T285 HydrophobicContact CB-CG2 4.01Å; D283-T285 PolarHBondContact O-N 3.37Å
286C81.5Confident84.8Confident3 Ų381.5 Ų81.52%0.0242%0.418CS..  trans-75.9132.1170.8173.80000110.3T288 C289 N290 K291 C294 V303C286-T288 VanDerWaalsContact C-N 3.26Å; C286-T288 PolarHBondContact O-N 2.96Å; C286-T288 PolarHBondContact SG-N 2.83Å; C286-T288 VanDerWaalsContact SG-N 3.43Å; C286-C289 WeakPolarHBondContact CB-SG 3.05Å; C286-C289 PolarHBondContact O-N 3.46Å; C286-N290 WeakPolarHBondContact O-CA 3.08Å; C286-N290 PolarHBondContact O-N 2.55Å; C286-N290 PolarHBondContact O-OD1 3.17Å; C286-K291 PolarHBondContact N-O 2.76Å; C286-C294 HydrophobicContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact SG-SG 3.6Å; C286-V303 HydrophobicContact CB-CG2 4.24Å
287H79.4Confident83.8Confident140 Ų14085 Ų8565%0.64845%0.453SS*.THydrogen-bonded Turntrans-61.6-30.7178-173.9-67.8000113.6
288T82.4Confident82.7Confident100 Ų10086.9 Ų86.961%0.61346%0.462SS*.THydrogen-bonded Turntrans-81.2-39.7-176.8-470000112.3C286C286-T288 VanDerWaalsContact C-N 3.26Å; C286-T288 PolarHBondContact O-N 2.96Å; C286-T288 PolarHBondContact SG-N 2.83Å; C286-T288 VanDerWaalsContact SG-N 3.43Å
289C84.3Confident81.3Confident36 Ų3689 Ų8924%0.24348%0.475CS..THydrogen-bonded Turntrans-117.3-5.3-169.679.60000113.5C286 K291 C294C286-C289 WeakPolarHBondContact CB-SG 3.05Å; C286-C289 PolarHBondContact O-N 3.46Å; C289-K291 WeakPolarHBondContact O-CG 3.26Å; C289-K291 PolarHBondContact O-N 2.92Å; C289-C294 WeakPolarHBondContact CB-SG 3.13Å; C289-C294 WeakPolarHBondContact SG-CB 3.17Å; C289-C294 CovalentContact SG-SG 2.04Å; C289-C294 PolarHBondContact SG-SG 3.03Å
290N81.4Confident79.8Confident120 Ų12090.7 Ų90.764%0.64249%0.488SS*.  trans52.414-175.2-64.1-30.2000115.6C286C286-N290 WeakPolarHBondContact O-CA 3.08Å; C286-N290 PolarHBondContact O-N 2.55Å; C286-N290 PolarHBondContact O-OD1 3.17Å
291K82.1Confident78.2Confident136 Ų13690.4 Ų90.459%0.59149%0.487SS*.  trans-92144.1176.9-63.6167.6-174.8179.30110.5C286 C289 R293C286-K291 PolarHBondContact N-O 2.76Å; C289-K291 WeakPolarHBondContact O-CG 3.26Å; C289-K291 PolarHBondContact O-N 2.92Å; K291-R293 VanDerWaalsContact C-N 3.33Å
292A76.1Confident76.8Confident62 Ų6292.1 Ų92.151%0.51249%0.493SS..SBendtrans-72.2-25.3175.600000113.7I284I284-A292 VanDerWaalsContact O-CA 3.25Å; I284-A292 WeakPolarHBondContact O-CA 3.21Å; I284-A292 WeakPolarHBondContact O-CB 3.37Å
293R75.6Confident75.7Confident236 Ų23690 Ų9089%0.89148%0.483SS*.SBendtrans-120.890.7170.4-65.8-172.8-179.1175.72.3108.2K291K291-R293 VanDerWaalsContact C-N 3.33Å
294C77.9Confident74.7Confident29 Ų2991.3 Ų91.320%0.19649%0.49CS..  trans-106144.2180-1550000110.4C286 C289 C296C286-C294 HydrophobicContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact SG-SG 3.6Å; C289-C294 WeakPolarHBondContact CB-SG 3.13Å; C289-C294 WeakPolarHBondContact SG-CB 3.17Å; C289-C294 CovalentContact SG-SG 2.04Å; C289-C294 PolarHBondContact SG-SG 3.03Å; C294-C296 PolarHBondContact SG-SG 2.92Å
295S75Confident73.9Confident127 Ų12792.6 Ų92.689%0.88850%0.501SS*.  trans-109.123.6174.861.50000112.1
296C81.2Confident73.1Confident44 Ų4498 Ų9830%0.29752%0.519SS..  trans-68139.5179.1-74.60000110.8C294 L298 T299C294-C296 PolarHBondContact SG-SG 2.92Å; C296-L298 VanDerWaalsContact C-N 3.25Å; C296-L298 PolarHBondContact O-N 2.85Å; C296-T299 HydrophobicContact CB-CG2 3.97Å; C296-T299 WeakPolarHBondContact O-CG2 3.43Å; C296-T299 PolarHBondContact O-OG1 2.79Å
297A73.1Confident72.5Confident108 Ų108103.1 Ų103.189%0.89354%0.538SS*.THydrogen-bonded Turntrans-69.6-19.2-178.100000114.2
298L70.4Confident72.1Confident141 Ų141102.1 Ų102.174%0.73854%0.544SS*.THydrogen-bonded Turntrans-104.628.4-176.9-66.2173000113.1C296 Q300C296-L298 VanDerWaalsContact C-N 3.25Å; C296-L298 PolarHBondContact O-N 2.85Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.03Å
299T63.3Low71.9Confident59 Ų5999.1 Ų99.136%0.36252%0.523SS..  trans-74.280.6178.648.80000111.1C296 R301C296-T299 HydrophobicContact CB-CG2 3.97Å; C296-T299 WeakPolarHBondContact O-CG2 3.43Å; C296-T299 PolarHBondContact O-OG1 2.79Å; T299-R301 VanDerWaalsContact C-N 3.34Å
300Q61.2Low71.8Confident179 Ų179104 Ų10484%0.83654%0.536SS*.  trans-78.9-15.3173-72.7-173.3-5.700113.4L298L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.03Å
301R59.1Low72Confident126 Ų126103.4 Ų103.448%0.47553%0.529SS..SBendtrans-83.9144.8170.6-66.5-165-179.2-150.11.6110T299 V303T299-R301 VanDerWaalsContact C-N 3.34Å; R301-V303 HydrophobicContact CB-CG2 4.5Å; R301-V303 WeakPolarHBondContact O-CG2 3.34Å; R301-V303 PolarHBondContact O-N 2.87Å
302H61.1Low72.2Confident65 Ų65101.1 Ų101.130%0.30152%0.524SS..  trans-65.262.4-179.1-49.2129.9000112.5D304 R307H302-D304 PolarHBondContact O-N 2.77Å; H302-R307 PolarHBondContact CD2-NE 2.88Å; H302-R307 PolarHBondContact CD2-NH1 3.42Å; H302-R307 PolarHBondContact CD2-NH2 2.84Å; H302-R307 PolarHBondContact CE1-NH1 2.96Å; H302-R307 PolarHBondContact ND1-NH1 2.78Å; H302-R307 VanDerWaalsContact ND1-NH1 3.11Å; H302-R307 PolarHBondContact NE2-NH1 3.35Å; H302-R307 PolarHBondContact NE2-NH2 2.81Å
303V66.8Low72.8Confident13 Ų1399.6 Ų99.68%0.07951%0.507CS..  trans-74.1-17.8179.21790000110.5C286 R301 P305C286-V303 HydrophobicContact CB-CG2 4.24Å; R301-V303 HydrophobicContact CB-CG2 4.5Å; R301-V303 WeakPolarHBondContact O-CG2 3.34Å; R301-V303 PolarHBondContact O-N 2.87Å; V303-P305 WeakPolarHBondContact O-CD 3.5Å
304D66.8Low73.4Confident111 Ų11188.6 Ų88.659%0.59447%0.466SS*.  trans-69.1109.1177.2-68.8-35.9000111.3H302 K306 R307H302-D304 PolarHBondContact O-N 2.77Å; D304-K306 PolarHBondContact O-N 2.86Å; D304-K306 VanDerWaalsContact O-N 3.09Å; D304-R307 HydrophobicContact CB-CB 4.2Å; D304-R307 WeakPolarHBondContact O-CB 3.38Å; D304-R307 PolarHBondContact O-N 3.13Å
305P69.1Low73.7Confident51 Ų5188 Ų8833%0.33147%0.465SS..THydrogen-bonded Turntrans-68-11.6176.930.3-35.3000112.2Y253 V303Y253-P305 PolarHBondContact OH-O 3.37Å; V303-P305 WeakPolarHBondContact O-CD 3.5Å
306K67.1Low74.2Confident172 Ų17283.1 Ų83.175%0.74843%0.427SS*.THydrogen-bonded Turntrans-97.85.5177.1-63.5-174.8177.9-177.90113.2D304D304-K306 PolarHBondContact O-N 2.86Å; D304-K306 VanDerWaalsContact O-N 3.09Å
307R70.2Confident74.3Confident111 Ų11181.2 Ų81.242%0.41941%0.414SS..  trans-60.7122.3-177.4-176.6178.4-175.8-142.612.2110Y253 H302 D304 H309Y253-R307 VanDerWaalsContact CE2-O 3.26Å; Y253-R307 WeakPolarHBondContact CE2-O 3.45Å; Y253-R307 VanDerWaalsContact CZ-O 3.25Å; Y253-R307 PolarHBondContact OH-N 3.4Å; Y253-R307 PolarHBondContact OH-O 2.84Å; H302-R307 PolarHBondContact CD2-NE 2.88Å; H302-R307 PolarHBondContact CD2-NH1 3.42Å; H302-R307 PolarHBondContact CD2-NH2 2.84Å; H302-R307 PolarHBondContact CE1-NH1 2.96Å; H302-R307 PolarHBondContact ND1-NH1 2.78Å; H302-R307 VanDerWaalsContact ND1-NH1 3.11Å; H302-R307 PolarHBondContact NE2-NH1 3.35Å; H302-R307 PolarHBondContact NE2-NH2 2.81Å; D304-R307 HydrophobicContact CB-CB 4.2Å; D304-R307 WeakPolarHBondContact O-CB 3.38Å; D304-R307 PolarHBondContact O-N 3.13Å; R307-H309 PolarHBondContact O-N 2.6Å; R307-H309 VanDerWaalsContact O-N 3.09Å
308P70.9Confident74.9Confident119 Ų11979.5 Ų79.577%0.77339%0.387SS*.  trans-54.1125.1-177.723.1-33.9000110.6
309H78.3Confident75.2Confident36 Ų3677.1 Ų77.117%0.16740%0.396CS..  trans-114.8159.3177.672.8-63.7000110.9Y253 R307 Q311 C324Y253-H309 HydrophobicContact CD1-CB 4.4Å; Y253-H309 AromaticContact CD1-CG 3.72Å; Y253-H309 AromaticContact CD1-ND1 3.65Å; Y253-H309 HydrophobicContact CD2-CB 3.31Å; Y253-H309 AromaticContact CD2-CG 3.55Å; Y253-H309 HydrophobicContact CE1-CB 4.41Å; Y253-H309 AromaticContact CE1-CE1 3.94Å; Y253-H309 AromaticContact CE1-CG 3.8Å; Y253-H309 AromaticContact CE1-ND1 3.35Å; Y253-H309 WeakPolarHBondContact CE1-ND1 3.18Å; Y253-H309 HydrophobicContact CE2-CB 3.34Å; Y253-H309 AromaticContact CE2-CG 3.67Å; Y253-H309 AromaticContact CE2-ND1 3.86Å; Y253-H309 HydrophobicContact CG-CB 3.89Å; Y253-H309 AromaticContact CG-CD2 3.92Å; Y253-H309 AromaticContact CG-CG 3.59Å; Y253-H309 AromaticContact CZ-CG 3.78Å; Y253-H309 AromaticContact CZ-ND1 3.47Å; R307-H309 PolarHBondContact O-N 2.6Å; R307-H309 VanDerWaalsContact O-N 3.09Å; H309-Q311 PolarHBondContact O-N 3.27Å; H309-C324 WeakPolarHBondContact CE1-CB 3.43Å
310R81.9Confident76.1Confident138 Ų13879.5 Ų79.552%0.52140%0.402SS..  trans-75103.1179.8-77.1-167.2176-157.2-2.1110.6D312 L313 C314R310-D312 VanDerWaalsContact C-N 3.29Å; R310-D312 VanDerWaalsContact C-OD1 3.32Å; R310-D312 VanDerWaalsContact CB-OD1 3.26Å; R310-D312 WeakPolarHBondContact CB-OD1 3.2Å; R310-D312 PolarHBondContact O-N 2.9Å; R310-L313 HydrophobicContact CB-CD1 4.37Å; R310-L313 HydrophobicContact CB-CG 4.45Å; R310-L313 PolarHBondContact O-N 2.7Å; R310-C314 PolarHBondContact O-N 2.85Å
311Q85.9Confident76.5Confident108 Ų10883.5 Ų83.551%0.50541%0.409SS..G310 helixtrans-65.8-31.7-175.8-64.11797.200112.8H309 L313 C314 K318H309-Q311 PolarHBondContact O-N 3.27Å; Q311-L313 PolarHBondContact O-N 3.32Å; Q311-C314 PolarHBondContact O-N 2.7Å; Q311-K318 WeakPolarHBondContact O-CA 3.25Å; Q311-K318 PolarHBondContact O-N 3.46Å
312D85.8Confident77Confident89 Ų8983.5 Ų83.548%0.47642%0.418SS..G310 helixtrans-60.1-28175.857.2-44.5000113R310 K318R310-D312 VanDerWaalsContact C-N 3.29Å; R310-D312 VanDerWaalsContact C-OD1 3.32Å; R310-D312 VanDerWaalsContact CB-OD1 3.26Å; R310-D312 WeakPolarHBondContact CB-OD1 3.2Å; R310-D312 PolarHBondContact O-N 2.9Å; D312-K318 WeakPolarHBondContact O-CD 3.44Å
313L87.9Confident77.4Confident29 Ų2983.3 Ų83.315%0.15242%0.424CS..G310 helixtrans-103.1-7.4-178.2-56.3-179.2000113.7F268 R270 R310 Q311F268-L313 HydrophobicContact CB-CD2 4.36Å; F268-L313 PolarHBondContact N-O 2.8Å; R270-L313 HydrophobicContact CB-CD1 3.84Å; R270-L313 HydrophobicContact CB-CD2 4.49Å; R270-L313 HydrophobicContact CG-CD1 4.27Å; R310-L313 HydrophobicContact CB-CD1 4.37Å; R310-L313 HydrophobicContact CB-CG 4.45Å; R310-L313 PolarHBondContact O-N 2.7Å; Q311-L313 PolarHBondContact O-N 3.32Å
314C88.1Confident77.6Confident5 Ų582.7 Ų82.73%0.03442%0.42CS..BIsolated β-bridgetrans-91.9117.8-178.1-174.40000111.5R310 Q311 R316 C317 K318R310-C314 PolarHBondContact O-N 2.85Å; Q311-C314 PolarHBondContact O-N 2.7Å; C314-R316 PolarHBondContact O-N 2.88Å; C314-C317 PolarHBondContact O-N 3.15Å; C314-C317 VanDerWaalsContact O-N 3.12Å; C314-K318 WeakPolarHBondContact O-CB 3.5Å; C314-K318 PolarHBondContact O-N 3.26Å
315G85.3Confident77.4Confident18 Ų1881.3 Ų81.319%0.18641%0.413CS..THydrogen-bonded Turntrans-65.2-11.6177.900000115.5K266K266-G315 WeakPolarHBondContact O-CA 3.32Å; K266-G315 PolarHBondContact O-N 3.42Å
316R84.8Confident76.9Confident24 Ų2482 Ų829%0.09142%0.419CS..THydrogen-bonded Turntrans-78.7-42.1171.6179.9176.6164.8164-11.9112.1F265 C314 K320 S326 S329F265-R316 HydrophobicContact CB-CB 4.32Å; F265-R316 HydrophobicContact CD1-CB 4.35Å; F265-R316 HydrophobicContact CD2-CB 3.75Å; F265-R316 HydrophobicContact CD2-CG 4.03Å; F265-R316 HydrophobicContact CE2-CB 4.09Å; F265-R316 HydrophobicContact CE2-CG 3.87Å; F265-R316 HydrophobicContact CG-CB 3.89Å; F265-R316 HydrophobicContact CZ-CG 4.27Å; C314-R316 PolarHBondContact O-N 2.88Å; R316-K320 WeakPolarHBondContact O-CD 3.17Å; R316-S326 PolarHBondContact NH2-O 2.6Å; R316-S329 VanDerWaalsContact NH1-CB 3.31Å; R316-S329 PolarHBondContact NH1-OG 2.7Å
317C84Confident76.4Confident3 Ų377.5 Ų77.52%0.0241%0.406CS..THydrogen-bonded Turntrans-108.5-16.6-170.1-68.50000114.4C314 G319 K320 L322 C324C314-C317 PolarHBondContact O-N 3.15Å; C314-C317 VanDerWaalsContact O-N 3.12Å; C317-G319 PolarHBondContact O-N 3.43Å; C317-G319 VanDerWaalsContact O-N 3.08Å; C317-K320 PolarHBondContact O-N 3.27Å; C317-L322 PolarHBondContact SG-O 3.33Å; C317-C324 WeakPolarHBondContact CB-SG 3Å; C317-C324 WeakPolarHBondContact SG-CA 3.48Å; C317-C324 WeakPolarHBondContact SG-CB 3.1Å; C317-C324 PolarHBondContact SG-N 3.31Å; C317-C324 CovalentContact SG-SG 2.04Å; C317-C324 PolarHBondContact SG-SG 2.85Å
318K84.6Confident75.8Confident73 Ų7378.3 Ų78.332%0.31741%0.413SS..THydrogen-bonded Turntrans-54.7117.5179.1-174179.6-173.1177.70110.4F268 Q311 D312 C314 K320F268-K318 HydrophobicContact CD2-CD 3.53Å; F268-K318 HydrophobicContact CE2-CB 4.36Å; F268-K318 HydrophobicContact CE2-CD 3.37Å; F268-K318 HydrophobicContact CE2-CG 4.47Å; F268-K318 HydrophobicContact CG-CD 4.34Å; F268-K318 HydrophobicContact CZ-CD 4.08Å; Q311-K318 WeakPolarHBondContact O-CA 3.25Å; Q311-K318 PolarHBondContact O-N 3.46Å; D312-K318 WeakPolarHBondContact O-CD 3.44Å; C314-K318 WeakPolarHBondContact O-CB 3.5Å; C314-K318 PolarHBondContact O-N 3.26Å; K318-K320 VanDerWaalsContact C-N 3.26Å; K318-K320 PolarHBondContact O-N 2.04Å
319G77.9Confident75Confident91 Ų9173.5 Ų73.594%0.93838%0.382SS*.THydrogen-bonded Turntrans72.87.9177.400000115.7C317C317-G319 PolarHBondContact O-N 3.43Å; C317-G319 VanDerWaalsContact O-N 3.08Å
320K81.3Confident73.9Confident109 Ų10977.8 Ų77.847%0.47440%0.4SS..  trans-112.4149.7-179.9-62.1-178.8-168.5167.80110.8R316 C317 K318 L322R316-K320 WeakPolarHBondContact O-CD 3.17Å; C317-K320 PolarHBondContact O-N 3.27Å; K318-K320 VanDerWaalsContact C-N 3.26Å; K318-K320 PolarHBondContact O-N 2.04Å; K320-L322 PolarHBondContact O-N 3.02Å
321R69.9Low72.9Confident262 Ų26274.8 Ų74.899%0.98939%0.391SS*.SBendtrans-75-0.2172.7-64.6-173.1177.9-173.60.4113.7
322L69.7Low71.1Confident127 Ų12780.1 Ų80.167%0.66541%0.408SS*.  trans-90.2125.5-179.3-69.1157.9000109.2C317 K320C317-L322 PolarHBondContact SG-O 3.33Å; K320-L322 PolarHBondContact O-N 3.02Å
323S68.7Low69.1Low60 Ų6079.1 Ų79.142%0.4240%0.402SS..  trans-79.7150.617361.10000111.3D325S323-D325 PolarHBondContact O-N 2.75Å
324C71.7Confident66.7Low1 Ų188.8 Ų88.81%0.00745%0.451CS..THydrogen-bonded Turntrans-85.74.1177.1-65.70000111.3Y253 H309 C317 S326Y253-C324 HydrophobicContact CD1-CB 4.09Å; Y253-C324 HydrophobicContact CE1-CB 4.29Å; H309-C324 WeakPolarHBondContact CE1-CB 3.43Å; C317-C324 WeakPolarHBondContact CB-SG 3Å; C317-C324 WeakPolarHBondContact SG-CA 3.48Å; C317-C324 WeakPolarHBondContact SG-CB 3.1Å; C317-C324 PolarHBondContact SG-N 3.31Å; C317-C324 CovalentContact SG-SG 2.04Å; C317-C324 PolarHBondContact SG-SG 2.85Å; C324-S326 VanDerWaalsContact C-N 3.35Å
325D63Low65.7Low81 Ų8193 Ų9343%0.43347%0.472SS..THydrogen-bonded Turntrans-78.5-19.9178.8-61-28.8000112.6S323 T327S323-D325 PolarHBondContact O-N 2.75Å; D325-T327 PolarHBondContact O-N 3.48Å; D325-T327 VanDerWaalsContact O-N 3.08Å
326S58.6Low64.6Low67 Ų6796.9 Ų96.947%0.46949%0.487SS..  trans-77.495.7171.8-171.50000109.3R316 C324 F328R316-S326 PolarHBondContact NH2-O 2.6Å; C324-S326 VanDerWaalsContact C-N 3.35Å; S326-F328 PolarHBondContact O-N 2.73Å
327T56.9Low63.5Low76 Ų76100.9 Ų100.947%0.46651%0.509SS..SBendtrans-57-14.5-179.739.20000114.5D325D325-T327 PolarHBondContact O-N 3.48Å; D325-T327 VanDerWaalsContact O-N 3.08Å
328F56Low62.3Low129 Ų129106.7 Ų106.757%0.56654%0.538SS*.  trans-107.384.9173.4-85.2-94.5000110F232 S326 F330F232-F328 HydrophobicContact CD1-CD1 4.2Å; F232-F328 HydrophobicContact CD1-CE1 4.24Å; F232-F328 HydrophobicContact CE1-CD1 4.23Å; F232-F328 HydrophobicContact CE1-CE1 4.2Å; S326-F328 PolarHBondContact O-N 2.73Å; F328-F330 HydrophobicContact CB-CE2 4.32Å; F328-F330 PolarHBondContact O-N 2.95Å
329S54.7Low60.9Low18 Ų18108.8 Ų108.813%0.12655%0.552CS.*  trans-77.4101.6159.545.70000108.6R316 K331R316-S329 VanDerWaalsContact NH1-CB 3.31Å; R316-S329 PolarHBondContact NH1-OG 2.7Å; S329-K331 PolarHBondContact O-N 2.86Å
330F54.6Low59.8Low126 Ų126110 Ų11055%0.55353%0.526SS*.  trans-61.4105.5151.7-60.2-82.4000106.5F232 F328 Y332F232-F330 HydrophobicContact CE1-CE1 4.16Å; F328-F330 HydrophobicContact CB-CE2 4.32Å; F328-F330 PolarHBondContact O-N 2.95Å; F330-Y332 PolarHBondContact O-N 3.39Å
331K61.1Low58.2Low74 Ų74110.1 Ų110.132%0.32253%0.53SS..  trans-67.6111.8154.2178.9175.8170.6-178.30103.6L233 Y264 S329 I333L233-K331 HydrophobicContact CD1-CB 3.91Å; L233-K331 HydrophobicContact CD1-CD 4.1Å; Y264-K331 HydrophobicContact CE1-CD 4.25Å; Y264-K331 HydrophobicContact CE2-CD 3.98Å; Y264-K331 VanDerWaalsContact CZ-CE 3.47Å; Y264-K331 WeakPolarHBondContact OH-CE 3.17Å; Y264-K331 PolarHBondContact OH-NZ 2.63Å; S329-K331 PolarHBondContact O-N 2.86Å; K331-I333 PolarHBondContact O-N 3.2Å
332Y47.8Very low57.3Low221 Ų22198.4 Ų98.487%0.86749%0.494SS*.  trans-50.7108.5169.3-62.2-88.8000106.7F330F330-Y332 PolarHBondContact O-N 3.39Å
333I45.7Very low56.3Low68 Ų6896 Ų9635%0.34948%0.48SS..  trans-95.8117.8164.5-62.4171.8000102.3R229 Q231 K331R229-I333 VanDerWaalsContact O-CD1 3.28Å; R229-I333 WeakPolarHBondContact O-CD1 3.47Å; Q231-I333 HydrophobicContact CB-CD1 3.66Å; K331-I333 PolarHBondContact O-N 3.2Å
334I37.1Very low55.2Low231 Ų23199.3 Ų99.3100%1.18549%0.486SS*.  trans-54.70174.3-63.3170.5000109.1

Retrieved 334 of 334 residues in 297.6 ms (Link to these results)