A0A087XCZ1_POEFO Loading...

Adducin 2 (beta)

AlphaFold DB , UniProt , Accession A0A087XCZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 669 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
1M34.7Very low39.3Very low239 Ų239138.5 Ų138.5100%1.17781%0.811SS**  0131.80-72.5178.2179.600107.2
2S34.4Very low38.5Very low101 Ų101138.8 Ų138.871%0.70682%0.815SS**  cis-156.8141-1.5-78.70000112.9
3K35.7Very low38.1Very low207 Ų207142.2 Ų142.290%0.982%0.818SS**  trans38.3137.7142.1-60.7-177.1175.7-179.10122.4
4S38Very low37.2Very low109 Ų109149.6 Ų149.676%0.76283%0.826SS**  trans-78179.6161.157.20000112.7
5P60.2Low36.9Very low103 Ų103147 Ų14767%0.66982%0.823SS**  -160.7145.291.640.8-20000120.5
6T40Very low37.5Very low131 Ų131145.4 Ų145.480%0.80482%0.82SS**  trans57.7-178.7136.369.10000120.3
7P55Low36.9Very low98 Ų98143.6 Ų143.664%0.63682%0.819SS**  cis-144.6-179.34.346-26.6000120.7
8K33.6Very low36.5Very low208 Ų208144.8 Ų144.890%0.90482%0.823SS**  trans76.1151.3165.6-56.1169.4-175.5176.80117.1
9G30.6Very low36Very low75 Ų75140.6 Ų140.677%0.77382%0.815SS**  cis-178.7153.2-6.900000113.3
10T28.1Very low35.6Very low140 Ų140140.7 Ų140.786%0.85982%0.817SS**  trans-81.1173-174.213.40000114.7
11P42.3Very low35.9Very low112 Ų112139.1 Ų139.173%0.72781%0.812SS**  cis-158.6159.845.444.1-21000123.5
12V29.7Very low35.6Very low143 Ų143136.7 Ų136.787%0.86780%0.797SS**  trans70.6145.4134.4173.20000123.6
13Q32.6Very low35.2Very low183 Ų183137.1 Ų137.186%0.85580%0.8SS**  trans-99.2173.5179.8-54.9170.7-50.300114.7
14R26.6Very low34.9Very low246 Ų246135.3 Ų135.393%0.92880%0.8SS**  trans-159.5150.2144.6-109.4175.2-164.1-162.33.2114.2
15S31.5Very low34.4Very low110 Ų110139.2 Ų139.277%0.76981%0.806SS**  trans-129.4-171.8165.6-48.40000107.3
16P46.7Very low32.8Very low121 Ų121139.4 Ų139.479%0.78681%0.81SS**  cis-136.5-171.1-0.644.4-26.6000114.7
17S27.8Very low32.4Very low115 Ų115138.9 Ų138.980%0.80481%0.809SS**  trans176.2157137.542.70000113.9
18D29.8Very low31.2Very low165 Ų165143.5 Ų143.588%0.88282%0.822SS**  trans-84.3155.9-159.3-44.7-73.5000118.1
19G27.4Very low31Very low66 Ų66142.9 Ų142.968%0.6882%0.822SS**  102.680.4112.200000124.3
20V27.4Very low30.9Very low141 Ų141144.5 Ų144.586%0.85582%0.821SS**  trans67157.2133.8176.20000118.1
21P41.3Very low31.1Very low108 Ų108143.8 Ų143.870%0.70182%0.817SS**  cis-121.9153.3-5.221.61.9000118
22E28.7Very low30.9Very low188 Ų188143.7 Ų143.788%0.87982%0.816SS**  28129.9125.2-164.8168.7-126.100123.2
23S26.7Very low31.5Very low110 Ų110142.2 Ų142.277%0.76981%0.807SS**  trans-158.6135.9134.449.70000114.2
24L28.6Very low32.1Very low170 Ų170137.1 Ų137.189%0.8979%0.792SS**  trans46.3106.7155.3-63.2170.8000120
25Q28.7Very low32.9Very low191 Ų191127.2 Ų127.289%0.89377%0.767SS**  trans-111.1153.6159.2-155.6174.341.200109.7
26S25.4Very low33.6Very low107 Ų107128 Ų12875%0.74876%0.757SS**  trans-144.2143.3171.5-72.30000110.5
27P32.9Very low33.9Very low120 Ų120130.1 Ų130.178%0.77975%0.754SS**PPolyproline II helixtrans-95.2152.9-154.536-36.5000114.7
28Q28Very low35Very low195 Ų195131.7 Ų131.791%0.91175%0.747SS**PPolyproline II helixtrans-95.3138.3161.6-69-164.8-7.500111.1
29H30.1Very low36.5Very low194 Ų194132.6 Ų132.690%0.89874%0.738SS**PPolyproline II helixtrans-73.9136.7176.4-92.9-97.7000112
30S28.6Very low37.6Very low109 Ų109134 Ų13476%0.76273%0.729SS**  trans-117.8141.2166.157.80000110.9
31T32.6Very low39.1Very low125 Ų125129.8 Ų129.877%0.76771%0.706SS**  trans-91.3126.8-17247.70000112.5V33T31-V33 PolarHBondContact O-N 3.11Å
32P37.8Very low40.2Very low110 Ų110128.4 Ų128.471%0.71470%0.699SS**  trans-9157.9-161.936.4-39000115.5S34 G35P32-S34 PolarHBondContact O-N 3.41Å; P32-G35 PolarHBondContact O-N 3.25Å
33V42.1Very low41.9Very low112 Ų112124.2 Ų124.268%0.67968%0.682SS**Hα-helixtrans-64-25.6-178.3-176.30000113.4T31 G35T31-V33 PolarHBondContact O-N 3.11Å; V33-G35 VanDerWaalsContact C-N 3.3Å; V33-G35 PolarHBondContact O-N 3.38Å
34S45.8Very low43.5Very low77 Ų77121.6 Ų121.654%0.53866%0.659SS.*Hα-helixtrans-66.4-27.7178.3-166.10000113.6P32 K38P32-S34 PolarHBondContact O-N 3.41Å; S34-K38 PolarHBondContact O-N 3.47Å
35G43.8Very low45.1Very low38 Ų38118.4 Ų118.439%0.39264%0.64SS.*Hα-helixtrans-65.9-42.2-173.300000113.7P32 V33 K38 R39P32-G35 PolarHBondContact O-N 3.25Å; V33-G35 VanDerWaalsContact C-N 3.3Å; V33-G35 PolarHBondContact O-N 3.38Å; G35-K38 PolarHBondContact O-N 3Å; G35-R39 WeakPolarHBondContact O-CB 3.49Å; G35-R39 PolarHBondContact O-N 3.2Å
36H46.2Very low47.4Very low125 Ų125110.5 Ų110.558%0.57961%0.605SS**Hα-helixtrans-64.5-45.2-177.3-88.1-121.1000112.5K38 R39 I40H36-K38 VanDerWaalsContact C-N 3.32Å; H36-K38 PolarHBondContact O-N 2.88Å; H36-R39 PolarHBondContact O-N 2.92Å; H36-I40 WeakPolarHBondContact O-CB 3.4Å; H36-I40 WeakPolarHBondContact O-CD1 3.25Å; H36-I40 VanDerWaalsContact O-CG1 3.29Å; H36-I40 WeakPolarHBondContact O-CG1 3.29Å; H36-I40 PolarHBondContact O-N 2.93Å
37K51.5Low49.3Very low166 Ų166109.7 Ų109.772%0.72260%0.598SS**Hα-helixtrans-61.8-39.5179.1-66-172.4178.4-175.80111.8S41K37-S41 WeakPolarHBondContact O-CB 3.33Å; K37-S41 PolarHBondContact O-N 3.33Å
38K51.9Low51.2Low148 Ų148107.2 Ų107.264%0.64358%0.583SS**Hα-helixtrans-68.1-43.3174.9-68.5-178179.2-178.20112.4S34 G35 H36 S41 S42S34-K38 PolarHBondContact O-N 3.47Å; G35-K38 PolarHBondContact O-N 3Å; H36-K38 VanDerWaalsContact C-N 3.32Å; H36-K38 PolarHBondContact O-N 2.88Å; K38-S41 PolarHBondContact O-N 3.38Å; K38-S42 WeakPolarHBondContact O-CB 3.31Å; K38-S42 PolarHBondContact O-N 3.46Å
39R60.2Low53.5Low184 Ų184100.8 Ų100.869%0.69455%0.552SS**Hα-helixtrans-63.4-44177.7-173-179.6-72.6173.6-4112.1G35 H36 S42 L43G35-R39 WeakPolarHBondContact O-CB 3.49Å; G35-R39 PolarHBondContact O-N 3.2Å; H36-R39 PolarHBondContact O-N 2.92Å; R39-S42 PolarHBondContact O-N 3.41Å; R39-L43 PolarHBondContact O-N 3.02Å
40I52Low55.5Low95 Ų9594.4 Ų94.449%0.48752%0.52SS..Hα-helixtrans-65.5-43.5177.4-67.7162.3000110.9H36 S42 L43 L44H36-I40 WeakPolarHBondContact O-CB 3.4Å; H36-I40 WeakPolarHBondContact O-CD1 3.25Å; H36-I40 VanDerWaalsContact O-CG1 3.29Å; H36-I40 WeakPolarHBondContact O-CG1 3.29Å; H36-I40 PolarHBondContact O-N 2.93Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.45Å; I40-L43 PolarHBondContact O-N 3.19Å; I40-L44 HydrophobicContact CG2-CD1 3.96Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 WeakPolarHBondContact O-CG 3.19Å; I40-L44 PolarHBondContact O-N 2.73Å
41S58Low57.6Low54 Ų5495.7 Ų95.738%0.37851%0.514SS..Hα-helixtrans-59.1-43.6174.5-167.90000112.1K37 K38 L43 L44 Q45K37-S41 WeakPolarHBondContact O-CB 3.33Å; K37-S41 PolarHBondContact O-N 3.33Å; K38-S41 PolarHBondContact O-N 3.38Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 2.87Å; S41-L44 PolarHBondContact O-N 3.41Å; S41-Q45 WeakPolarHBondContact O-CB 3.06Å; S41-Q45 VanDerWaalsContact O-CG 3.31Å; S41-Q45 WeakPolarHBondContact O-CG 3.38Å; S41-Q45 PolarHBondContact O-N 3.29Å
42S64.3Low59.8Low79 Ų7995.6 Ų95.655%0.55251%0.505SS*.Hα-helixtrans-62.2-38.8175.5-168.80000112.5K38 R39 I40 Q45 S46K38-S42 WeakPolarHBondContact O-CB 3.31Å; K38-S42 PolarHBondContact O-N 3.46Å; R39-S42 PolarHBondContact O-N 3.41Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.45Å; S42-Q45 PolarHBondContact O-N 3Å; S42-S46 PolarHBondContact O-N 2.87Å
43L65.2Low61.6Low99 Ų9990.7 Ų90.752%0.51847%0.473SS..Hα-helixtrans-66.4-44.1176.9-163.472.3000111.9R39 I40 S41 Q45 S46R39-L43 PolarHBondContact O-N 3.02Å; I40-L43 PolarHBondContact O-N 3.19Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 2.87Å; L43-Q45 PolarHBondContact O-N 3.46Å; L43-S46 WeakPolarHBondContact O-CB 3.2Å; L43-S46 PolarHBondContact O-N 3.42Å; L43-S46 VanDerWaalsContact O-N 3.09Å; L43-S46 PolarHBondContact O-OG 2.98Å
44L59.4Low63.1Low55 Ų5589.4 Ų89.429%0.28846%0.462SS..Hα-helixtrans-67.4-19.5176.5-67170.8000113.4I40 S41 F49 R50 M80I40-L44 HydrophobicContact CG2-CD1 3.96Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 WeakPolarHBondContact O-CG 3.19Å; I40-L44 PolarHBondContact O-N 2.73Å; S41-L44 PolarHBondContact O-N 3.41Å; L44-F49 HydrophobicContact CD2-CE1 4.03Å; L44-R50 PolarHBondContact O-NH2 3.05Å; L44-M80 HydrophobicContact CD2-CG 4.34Å; L44-M80 HydrophobicContact CD2-SD 4.09Å; L44-M80 VanDerWaalsContact O-CE 3.28Å; L44-M80 WeakPolarHBondContact O-CE 3.5Å
45Q62.5Low64.8Low104 Ų10490.2 Ų90.249%0.48646%0.463SS..Hα-helixtrans-94.1-11.2173.6-69.8173.3-700113.3S41 S42 L43S41-Q45 WeakPolarHBondContact O-CB 3.06Å; S41-Q45 VanDerWaalsContact O-CG 3.31Å; S41-Q45 WeakPolarHBondContact O-CG 3.38Å; S41-Q45 PolarHBondContact O-N 3.29Å; S42-Q45 PolarHBondContact O-N 3Å; L43-Q45 PolarHBondContact O-N 3.46Å
46S77.1Confident66.3Low25 Ų2591.9 Ų91.918%0.17546%0.463CS..  trans-69.5137.5-179.472.90000112.4S42 L43 F49S42-S46 PolarHBondContact O-N 2.87Å; L43-S46 WeakPolarHBondContact O-CB 3.2Å; L43-S46 PolarHBondContact O-N 3.42Å; L43-S46 VanDerWaalsContact O-N 3.09Å; L43-S46 PolarHBondContact O-OG 2.98Å; S46-F49 WeakPolarHBondContact OG-CB 3.38Å
47P66.3Low67.9Low90 Ų9086.4 Ų86.458%0.58444%0.438SS*.Hα-helixtrans-64.5-40.6175.4-24.535.3000113.2F49 R50 E51P47-F49 PolarHBondContact O-N 2.93Å; P47-R50 WeakPolarHBondContact O-CB 3.25Å; P47-R50 PolarHBondContact O-N 3.25Å; P47-E51 PolarHBondContact O-N 2.8Å; P47-E51 VanDerWaalsContact O-N 3.09Å
48S71.4Confident69Low67 Ų6783.8 Ų83.847%0.46943%0.428SS..Hα-helixtrans-59.9-44.6-177.951.60000112.4R50 E51 E52S48-R50 PolarHBondContact O-N 3.17Å; S48-E51 PolarHBondContact O-N 2.85Å; S48-E51 VanDerWaalsContact O-N 3.15Å; S48-E52 WeakPolarHBondContact O-CG 3.42Å; S48-E52 PolarHBondContact O-N 3.01Å
49F76.3Confident70.2Confident61 Ų6180.6 Ų80.627%0.26842%0.415SS..Hα-helixtrans-65.8-24.6177.8-176.4-119.1000112.5L44 S46 P47 L53 M80L44-F49 HydrophobicContact CD2-CE1 4.03Å; S46-F49 WeakPolarHBondContact OG-CB 3.38Å; P47-F49 PolarHBondContact O-N 2.93Å; F49-L53 HydrophobicContact CE1-CD1 4.31Å; F49-L53 HydrophobicContact CZ-CD1 4.35Å; F49-L53 WeakPolarHBondContact O-CB 3.44Å; F49-L53 PolarHBondContact O-N 3.27Å; F49-M80 HydrophobicContact CD1-CE 3.38Å; F49-M80 HydrophobicContact CD1-SD 4.18Å; F49-M80 HydrophobicContact CE1-CE 3.81Å; F49-M80 HydrophobicContact CE1-SD 3.97Å; F49-M80 HydrophobicContact CG-CE 4.39Å
50R72Confident70.7Confident60 Ų6074.4 Ų74.423%0.22639%0.394CS..Hα-helixtrans-73.3-42.9172-66.4170.5-172.7-165.9-3.2111.6L44 P47 S48 L53 D54 M80L44-R50 PolarHBondContact O-NH2 3.05Å; P47-R50 WeakPolarHBondContact O-CB 3.25Å; P47-R50 PolarHBondContact O-N 3.25Å; S48-R50 PolarHBondContact O-N 3.17Å; R50-L53 PolarHBondContact O-N 3.03Å; R50-D54 PolarHBondContact O-N 2.97Å; R50-M80 HydrophobicContact CB-CE 4.5Å; R50-M80 HydrophobicContact CG-CE 3.38Å; R50-M80 VanDerWaalsContact CZ-O 3.3Å; R50-M80 PolarHBondContact NH2-O 2.62Å
51E73.8Confident71.6Confident135 Ų13575.1 Ų75.163%0.63140%0.397SS*.Hα-helixtrans-65.4-42.1178.6-68.6171.8-173.100111.2P47 S48 L53 V55P47-E51 PolarHBondContact O-N 2.8Å; P47-E51 VanDerWaalsContact O-N 3.09Å; S48-E51 PolarHBondContact O-N 2.85Å; S48-E51 VanDerWaalsContact O-N 3.15Å; E51-L53 PolarHBondContact O-N 3.14Å; E51-V55 VanDerWaalsContact O-CG2 3.3Å; E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 2.69Å
52E77.6Confident72.3Confident123 Ų12380.8 Ų80.858%0.57542%0.415SS*.Hα-helixtrans-59.1-43.7171.3-72.9169.6-170.200112.4S48 V55 L56S48-E52 WeakPolarHBondContact O-CG 3.42Å; S48-E52 PolarHBondContact O-N 3.01Å; E52-V55 PolarHBondContact O-N 3.24Å; E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 3.15Å
53L76.4Confident72.7Confident8 Ų883.5 Ų83.54%0.04242%0.417CS..Hα-helixtrans-70-41.2-178.4-156.3174000111.5F49 R50 E51 V55 L56 I57 L73 L76 A77 M80F49-L53 HydrophobicContact CE1-CD1 4.31Å; F49-L53 HydrophobicContact CZ-CD1 4.35Å; F49-L53 WeakPolarHBondContact O-CB 3.44Å; F49-L53 PolarHBondContact O-N 3.27Å; R50-L53 PolarHBondContact O-N 3.03Å; E51-L53 PolarHBondContact O-N 3.14Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.19Å; L53-L56 PolarHBondContact O-N 3.38Å; L53-I57 HydrophobicContact CD2-CD1 3.54Å; L53-I57 HydrophobicContact CD2-CG1 3.98Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 3.38Å; L53-L73 HydrophobicContact CD2-CB 4.06Å; L53-L73 HydrophobicContact CD2-CD2 4.13Å; L53-L73 WeakPolarHBondContact CD2-O 3.4Å; L53-L73 HydrophobicContact CG-CD2 4.36Å; L53-L76 HydrophobicContact CD1-CB 3.93Å; L53-A77 HydrophobicContact CD2-CB 4.17Å; L53-M80 HydrophobicContact CD1-SD 3.81Å
54D74.3Confident72.4Confident84 Ų8482 Ų8245%0.44943%0.425SS..Hα-helixtrans-63.9-36.3172.7-95.2-19.8000112.5R50 Q58R50-D54 PolarHBondContact O-N 2.97Å; D54-Q58 VanDerWaalsContact O-CG 3.32Å; D54-Q58 WeakPolarHBondContact O-CG 3.37Å; D54-Q58 PolarHBondContact O-N 3.18Å; D54-Q58 VanDerWaalsContact O-N 3.08Å; D54-Q58 PolarHBondContact O-NE2 3.24Å
55V80.2Confident72.1Confident94 Ų9480.4 Ų80.457%0.5742%0.422SS*.Hα-helixtrans-64.2-45.3171.71670000110.6E51 E52 L53 I57 Q58 E59E51-V55 VanDerWaalsContact O-CG2 3.3Å; E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 2.69Å; E52-V55 PolarHBondContact O-N 3.24Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.19Å; V55-I57 PolarHBondContact O-N 3.34Å; V55-Q58 PolarHBondContact O-N 2.91Å; V55-Q58 VanDerWaalsContact O-N 3.16Å; V55-E59 PolarHBondContact O-N 3.4Å
56L76.6Confident72Confident73 Ų7381.6 Ų81.638%0.38244%0.442SS..Hα-helixtrans-64.1-38.6179.6-164.668.7000112.1E52 L53 E59 Q60 L73E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 3.15Å; L53-L56 PolarHBondContact O-N 3.38Å; L56-E59 PolarHBondContact O-N 3.17Å; L56-Q60 VanDerWaalsContact O-CG 3.32Å; L56-Q60 WeakPolarHBondContact O-CG 3.38Å; L56-Q60 PolarHBondContact O-N 2.86Å; L56-L73 HydrophobicContact CD2-CD1 3.83Å; L56-L73 HydrophobicContact CD2-CD2 3.89Å; L56-L73 HydrophobicContact CG-CD1 3.95Å
57I78Confident71.3Confident10 Ų1082.8 Ų82.85%0.05145%0.45CS..Hα-helixtrans-60.7-48.2171.4-70.3166.7000110.5L53 V55 E59 Q60 M61 L73 R74 A77L53-I57 HydrophobicContact CD2-CD1 3.54Å; L53-I57 HydrophobicContact CD2-CG1 3.98Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 3.38Å; V55-I57 PolarHBondContact O-N 3.34Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 3.25Å; I57-Q60 PolarHBondContact O-N 3.4Å; I57-M61 HydrophobicContact CG2-CG 4.4Å; I57-M61 HydrophobicContact CG2-SD 4.03Å; I57-M61 WeakPolarHBondContact O-CB 3.42Å; I57-M61 WeakPolarHBondContact O-CG 3.48Å; I57-M61 PolarHBondContact O-N 2.91Å; I57-L73 HydrophobicContact CD1-CB 4.22Å; I57-L73 HydrophobicContact CG1-CB 3.66Å; I57-R74 HydrophobicContact CD1-CB 4.44Å; I57-A77 HydrophobicContact CD1-CB 3.97Å
58Q74.9Confident71Confident112 Ų11283 Ų8352%0.52345%0.453SS..Hα-helixtrans-64-35.3-179.9-74.5175.461.600112.6D54 V55 K62D54-Q58 VanDerWaalsContact O-CG 3.32Å; D54-Q58 WeakPolarHBondContact O-CG 3.37Å; D54-Q58 PolarHBondContact O-N 3.18Å; D54-Q58 VanDerWaalsContact O-N 3.08Å; D54-Q58 PolarHBondContact O-NE2 3.24Å; V55-Q58 PolarHBondContact O-N 2.91Å; V55-Q58 VanDerWaalsContact O-N 3.16Å; Q58-K62 WeakPolarHBondContact O-CG 3.4Å; Q58-K62 PolarHBondContact O-N 3.1Å
59E77.4Confident70.7Confident80 Ų8084.7 Ų84.737%0.37446%0.458SS..Hα-helixtrans-67.7-44.6175.7-160.6-168.3168.400111.8V55 L56 I57 M61 K62 K63V55-E59 PolarHBondContact O-N 3.4Å; L56-E59 PolarHBondContact O-N 3.17Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 3.25Å; E59-M61 VanDerWaalsContact C-N 3.34Å; E59-M61 PolarHBondContact O-N 3.2Å; E59-K62 PolarHBondContact O-N 3.32Å; E59-K63 HydrophobicContact CG-CD 4.31Å; E59-K63 WeakPolarHBondContact O-CG 3.3Å; E59-K63 PolarHBondContact O-N 3.48Å; E59-K63 VanDerWaalsContact OE1-CE 3.28Å; E59-K63 WeakPolarHBondContact OE1-CE 3.33Å; E59-K63 IonicContact OE1-NZ 3.32Å; E59-K63 PolarHBondContact OE1-NZ 3.23Å
60Q71.5Confident70.6Confident54 Ų5483.3 Ų83.325%0.25245%0.453SS..Hα-helixtrans-64.2-37.9175-67.8-64-40.900112L56 I57 K63 G65 L70 L73L56-Q60 VanDerWaalsContact O-CG 3.32Å; L56-Q60 WeakPolarHBondContact O-CG 3.38Å; L56-Q60 PolarHBondContact O-N 2.86Å; I57-Q60 PolarHBondContact O-N 3.4Å; Q60-K63 PolarHBondContact O-N 3.34Å; Q60-G65 PolarHBondContact O-N 2.9Å; Q60-L70 HydrophobicContact CB-CB 4.44Å; Q60-L70 HydrophobicContact CB-CD1 3.96Å; Q60-L70 HydrophobicContact CB-CG 4.25Å; Q60-L73 HydrophobicContact CG-CD1 4.43Å
61M70.2Confident70.2Confident110 Ų11088 Ų8854%0.54247%0.471SS..Hα-helixtrans-62.9-41.9172.4-74.1-177.171.700112.1I57 E59 G64 L70I57-M61 HydrophobicContact CG2-CG 4.4Å; I57-M61 HydrophobicContact CG2-SD 4.03Å; I57-M61 WeakPolarHBondContact O-CB 3.42Å; I57-M61 WeakPolarHBondContact O-CG 3.48Å; I57-M61 PolarHBondContact O-N 2.91Å; E59-M61 VanDerWaalsContact C-N 3.34Å; E59-M61 PolarHBondContact O-N 3.2Å; M61-G64 PolarHBondContact O-N 2.6Å; M61-L70 HydrophobicContact CG-CD1 3.83Å; M61-L70 HydrophobicContact CG-CD2 4.41Å; M61-L70 HydrophobicContact CG-CG 4.4Å
62K73.4Confident70Confident174 Ų17483.8 Ų83.876%0.75746%0.459SS*.Hα-helixtrans-67.4-33.3176.2-78.6179.2177.3-178.80113.1Q58 E59 G64Q58-K62 WeakPolarHBondContact O-CG 3.4Å; Q58-K62 PolarHBondContact O-N 3.1Å; E59-K62 PolarHBondContact O-N 3.32Å; K62-G64 PolarHBondContact O-N 3.35Å
63K72.8Confident69.8Low136 Ų13679.5 Ų79.559%0.59144%0.44SS*.THydrogen-bonded Turntrans-76.33.6178-73.9173171.7174.70114E59 Q60 G65E59-K63 HydrophobicContact CG-CD 4.31Å; E59-K63 WeakPolarHBondContact O-CG 3.3Å; E59-K63 PolarHBondContact O-N 3.48Å; E59-K63 VanDerWaalsContact OE1-CE 3.28Å; E59-K63 WeakPolarHBondContact OE1-CE 3.33Å; E59-K63 IonicContact OE1-NZ 3.32Å; E59-K63 PolarHBondContact OE1-NZ 3.23Å; Q60-K63 PolarHBondContact O-N 3.34Å; K63-G65 PolarHBondContact O-N 2.83Å
64G57.8Low69.5Low66 Ų6685 Ų8568%0.6846%0.46SS*.THydrogen-bonded Turntrans67.812.8178.100000114.5M61 K62 S66M61-G64 PolarHBondContact O-N 2.6Å; K62-G64 PolarHBondContact O-N 3.35Å; G64-S66 PolarHBondContact O-N 2.73Å
65G53.1Low69Low23 Ų2386.6 Ų86.624%0.23747%0.465CS..  trans-76.181.4-17000000113.6Q60 K63 S67Q60-G65 PolarHBondContact O-N 2.9Å; K63-G65 PolarHBondContact O-N 2.83Å; G65-S67 PolarHBondContact O-N 3.39Å
66S62Low68.3Low129 Ų12986 Ų8690%0.90246%0.458SS*.  trans-68.980.1169.2-1740000110.7G64G64-S66 PolarHBondContact O-N 2.73Å
67S61.6Low67.7Low49 Ų4983.7 Ų83.734%0.34345%0.449SS..SBendtrans-138.4156.6-178.567.50000111.8G65 N69 L70G65-S67 PolarHBondContact O-N 3.39Å; S67-N69 PolarHBondContact O-N 3.39Å; S67-N69 VanDerWaalsContact O-N 3.13Å; S67-L70 PolarHBondContact O-N 3.27Å
68S60.2Low66.9Low94 Ų9488.2 Ų88.266%0.65747%0.473SS*.Hα-helixtrans-51.6-33.1177.244.70000113.4L70 W71 A72S68-L70 PolarHBondContact O-N 3.42Å; S68-W71 CarbonylContact O-C 3.59Å; S68-W71 PolarHBondContact O-N 2.89Å; S68-W71 VanDerWaalsContact O-N 3.13Å; S68-A72 WeakPolarHBondContact O-CB 3.25Å; S68-A72 PolarHBondContact O-N 2.65Å
69N65.5Low66.3Low104 Ų10488.3 Ų88.356%0.55647%0.472SS*.Hα-helixtrans-58.8-41.9-179.7-61.7-19.9000112.8S67 W71 A72 L73S67-N69 PolarHBondContact O-N 3.39Å; S67-N69 VanDerWaalsContact O-N 3.13Å; N69-W71 VanDerWaalsContact C-N 3.3Å; N69-W71 PolarHBondContact O-N 3.41Å; N69-A72 PolarHBondContact O-N 3.34Å; N69-L73 WeakPolarHBondContact O-CG 3.43Å; N69-L73 PolarHBondContact O-N 2.89Å
70L73Confident65.4Low32 Ų3284.7 Ų84.717%0.16846%0.455CS..Hα-helixtrans-64.9-37.4177.6-173.2159.5000111.1Q60 M61 S67 S68 R74Q60-L70 HydrophobicContact CB-CB 4.44Å; Q60-L70 HydrophobicContact CB-CD1 3.96Å; Q60-L70 HydrophobicContact CB-CG 4.25Å; M61-L70 HydrophobicContact CG-CD1 3.83Å; M61-L70 HydrophobicContact CG-CD2 4.41Å; M61-L70 HydrophobicContact CG-CG 4.4Å; S67-L70 PolarHBondContact O-N 3.27Å; S68-L70 PolarHBondContact O-N 3.42Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.31Å; L70-R74 VanDerWaalsContact O-N 3.09Å
71W63.6Low64.9Low159 Ų15985.3 Ų85.360%0.60247%0.47SS*.Hα-helixtrans-74-35.4176.7-127.695.4000112.6S68 N69 R74 Q75S68-W71 CarbonylContact O-C 3.59Å; S68-W71 PolarHBondContact O-N 2.89Å; S68-W71 VanDerWaalsContact O-N 3.13Å; N69-W71 VanDerWaalsContact C-N 3.3Å; N69-W71 PolarHBondContact O-N 3.41Å; W71-R74 PolarHBondContact O-N 3.49Å; W71-Q75 HydrophobicContact CE3-CG 3.68Å; W71-Q75 HydrophobicContact CZ3-CG 3.6Å; W71-Q75 PolarHBondContact O-N 3.16Å
72A70.3Confident64.1Low46 Ų4684.1 Ų84.138%0.3847%0.472SS..Hα-helixtrans-65.8-45.5174.200000111.7S68 N69 R74 Q75 L76S68-A72 WeakPolarHBondContact O-CB 3.25Å; S68-A72 PolarHBondContact O-N 2.65Å; N69-A72 PolarHBondContact O-N 3.34Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 3.46Å; A72-Q75 PolarHBondContact O-N 3.06Å; A72-L76 WeakPolarHBondContact O-CG 3.38Å; A72-L76 PolarHBondContact O-N 2.86Å
73L73.6Confident62.9Low33 Ų3380.9 Ų80.917%0.17346%0.459CS..Hα-helixtrans-57.6-46.1172-71.2172.2000111.1L53 L56 I57 Q60 N69 Q75 L76 A77L53-L73 HydrophobicContact CD2-CB 4.06Å; L53-L73 HydrophobicContact CD2-CD2 4.13Å; L53-L73 WeakPolarHBondContact CD2-O 3.4Å; L53-L73 HydrophobicContact CG-CD2 4.36Å; L56-L73 HydrophobicContact CD2-CD1 3.83Å; L56-L73 HydrophobicContact CD2-CD2 3.89Å; L56-L73 HydrophobicContact CG-CD1 3.95Å; I57-L73 HydrophobicContact CD1-CB 4.22Å; I57-L73 HydrophobicContact CG1-CB 3.66Å; Q60-L73 HydrophobicContact CG-CD1 4.43Å; N69-L73 WeakPolarHBondContact O-CG 3.43Å; N69-L73 PolarHBondContact O-N 2.89Å; L73-Q75 VanDerWaalsContact C-N 3.35Å; L73-Q75 PolarHBondContact O-N 3.23Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L73-A77 PolarHBondContact O-N 2.98Å
74R69.3Low61.6Low124 Ų12475.9 Ų75.947%0.46845%0.446SS..Hα-helixtrans-62.2-39.2178.6-166.2168.2-172127.26.5113.2I57 L70 W71 A72 L76 A77 D78I57-R74 HydrophobicContact CD1-CB 4.44Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.31Å; L70-R74 VanDerWaalsContact O-N 3.09Å; W71-R74 PolarHBondContact O-N 3.49Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 3.46Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 3.43Å; R74-A77 PolarHBondContact O-N 3.28Å; R74-D78 PolarHBondContact O-N 3.47Å
75Q65Low60.7Low117 Ų11777.3 Ų77.355%0.54745%0.446SS..Hα-helixtrans-63.7-36.2172.8-76.5-174.4102.800113W71 A72 L73 F79W71-Q75 HydrophobicContact CE3-CG 3.68Å; W71-Q75 HydrophobicContact CZ3-CG 3.6Å; W71-Q75 PolarHBondContact O-N 3.16Å; A72-Q75 PolarHBondContact O-N 3.06Å; L73-Q75 VanDerWaalsContact C-N 3.35Å; L73-Q75 PolarHBondContact O-N 3.23Å; Q75-F79 WeakPolarHBondContact O-CB 3.46Å; Q75-F79 PolarHBondContact O-N 3.11Å
76L64.6Low60.1Low82 Ų8282.6 Ų82.643%0.42948%0.476SS..Hα-helixtrans-65.6-42.3174.2-69.1167.8000111.3L53 A72 L73 R74 F79 M80L53-L76 HydrophobicContact CD1-CB 3.93Å; A72-L76 WeakPolarHBondContact O-CG 3.38Å; A72-L76 PolarHBondContact O-N 2.86Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-L76 VanDerWaalsContact O-N 3.09Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 3.43Å; L76-F79 PolarHBondContact O-N 3.11Å; L76-M80 WeakPolarHBondContact O-CB 3.34Å; L76-M80 WeakPolarHBondContact O-CG 3.37Å; L76-M80 PolarHBondContact O-N 3.37Å
77A64.7Low59Low23 Ų2380.4 Ų80.419%0.1947%0.466CS..Hα-helixtrans-60.6-49173.600000112.3L53 I57 L73 R74 F79 M80 A81L53-A77 HydrophobicContact CD2-CB 4.17Å; I57-A77 HydrophobicContact CD1-CB 3.97Å; L73-A77 PolarHBondContact O-N 2.98Å; R74-A77 PolarHBondContact O-N 3.28Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.9Å; A77-M80 PolarHBondContact O-N 2.89Å; A77-A81 PolarHBondContact O-N 2.68Å
78D60.3Low57.7Low106 Ų10682.5 Ų82.557%0.56749%0.486SS*.Hα-helixtrans-64.5-35.3179-75.3-39.9000112.1R74R74-D78 PolarHBondContact O-N 3.47Å
79F61.6Low56.3Low114 Ų11485.4 Ų85.450%0.549%0.494SS..Hα-helixtrans-69.2-37.3172.9179.3-96.3000112.7Q75 L76 A77 A81 S82 H83Q75-F79 WeakPolarHBondContact O-CB 3.46Å; Q75-F79 PolarHBondContact O-N 3.11Å; L76-F79 PolarHBondContact O-N 3.11Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.9Å; F79-A81 VanDerWaalsContact C-N 3.34Å; F79-S82 PolarHBondContact O-OG 3.42Å; F79-H83 AromaticContact CE1-CD2 3.99Å; F79-H83 AromaticContact CE2-NE2 3.92Å; F79-H83 AromaticContact CZ-NE2 3.56Å; F79-H83 PolarHBondContact O-CD2 3.03Å
80M58.6Low54.7Low3 Ų386.8 Ų86.82%0.01551%0.509CS..Hα-helixtrans-73.1-28.1177.4-71.2164.969.700112.3L44 F49 R50 L53 L76 A77 S82 H83L44-M80 HydrophobicContact CD2-CG 4.34Å; L44-M80 HydrophobicContact CD2-SD 4.09Å; L44-M80 VanDerWaalsContact O-CE 3.28Å; L44-M80 WeakPolarHBondContact O-CE 3.5Å; F49-M80 HydrophobicContact CD1-CE 3.38Å; F49-M80 HydrophobicContact CD1-SD 4.18Å; F49-M80 HydrophobicContact CE1-CE 3.81Å; F49-M80 HydrophobicContact CE1-SD 3.97Å; F49-M80 HydrophobicContact CG-CE 4.39Å; R50-M80 HydrophobicContact CB-CE 4.5Å; R50-M80 HydrophobicContact CG-CE 3.38Å; R50-M80 VanDerWaalsContact CZ-O 3.3Å; R50-M80 PolarHBondContact NH2-O 2.62Å; L53-M80 HydrophobicContact CD1-SD 3.81Å; L76-M80 WeakPolarHBondContact O-CB 3.34Å; L76-M80 WeakPolarHBondContact O-CG 3.37Å; L76-M80 PolarHBondContact O-N 3.37Å; A77-M80 PolarHBondContact O-N 2.89Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.3Å; M80-H83 PolarHBondContact O-N 3.32Å
81A60.9Low52.7Low68 Ų6891.4 Ų91.456%0.56254%0.538SS*.Hα-helixtrans-64-32.2178.500000113.7A77 F79A77-A81 PolarHBondContact O-N 2.68Å; F79-A81 VanDerWaalsContact C-N 3.34Å
82S54.8Low51.1Low84 Ų8487.8 Ų87.859%0.58754%0.536SS*.Hα-helixtrans-71.9-29.7178.661.70000113.2F79 M80 G84F79-S82 PolarHBondContact O-OG 3.42Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.3Å; S82-G84 VanDerWaalsContact C-N 3.29Å; S82-G84 PolarHBondContact O-N 2.78Å
83H47.4Very low49.5Very low106 Ų10692 Ų9249%0.49156%0.56SS.*THydrogen-bonded Turntrans-8916.9179.3-65.2-65.1000113.7F79 M80F79-H83 AromaticContact CE1-CD2 3.99Å; F79-H83 AromaticContact CE2-NE2 3.92Å; F79-H83 AromaticContact CZ-NE2 3.56Å; F79-H83 PolarHBondContact O-CD2 3.03Å; M80-H83 PolarHBondContact O-N 3.32Å
84G45.1Very low47.8Very low31 Ų3195 Ų9532%0.3258%0.584SS.*  trans-112.96.3-161.200000118.7S82 P86S82-G84 VanDerWaalsContact C-N 3.29Å; S82-G84 PolarHBondContact O-N 2.78Å; G84-P86 WeakPolarHBondContact O-CD 3.41Å
85S39.8Very low46.3Very low96 Ų9695.2 Ų95.267%0.67159%0.594SS**  trans-108.2105.3-171.9-169.60000113.4A87S85-A87 PolarHBondContact O-N 3.31Å
86P39.6Very low45.2Very low134 Ų13498.6 Ų98.687%0.8761%0.612SS**  trans-87.736.4179.337.9-37.6000112.7G84G84-P86 WeakPolarHBondContact O-CD 3.41Å
87A40.2Very low44.3Very low83 Ų83101.9 Ų101.969%0.68663%0.627SS**  trans-146.863.9-17400000112.2S85S85-A87 PolarHBondContact O-N 3.31Å
88A34.2Very low44.1Very low94 Ų94109.6 Ų109.678%0.77766%0.662SS**  trans-123.5146.8163.500000109.1
89L31.1Very low44.9Very low154 Ų154107 Ų10781%0.80665%0.649SS**  trans-63.1156.1172.6-66.3174.3000110.3V91L89-V91 PolarHBondContact O-N 3.47Å
90P31.1Very low46.1Very low134 Ų134105 Ų10587%0.8765%0.647SS**  trans-7469.7-172.431.5-37.6000113.1
91V31Very low47.7Very low129 Ų129107.5 Ų107.578%0.78266%0.663SS**  trans-77.2130.9158.2-174.30000106.9L89L89-V91 PolarHBondContact O-N 3.47Å
92S29.3Very low49.2Very low82 Ų82104.2 Ų104.257%0.57364%0.636SS**  trans-53.3136.1-176.7-170.90000111.5S94S92-S94 PolarHBondContact O-N 3.31Å; S92-S94 PolarHBondContact OG-OG 3.02Å
93P38.1Very low51Low134 Ų134101.4 Ų101.487%0.8762%0.615SS**THydrogen-bonded Turntrans-72.924.9-170.531.8-38.4000114.7
94S38.2Very low52.9Low97 Ų9798.3 Ų98.368%0.67860%0.602SS**THydrogen-bonded Turntrans-99-4.8-170.4-51.70000114.8S92S92-S94 PolarHBondContact O-N 3.31Å; S92-S94 PolarHBondContact OG-OG 3.02Å
95N36.9Very low54.8Low129 Ų12997.2 Ų97.269%0.6959%0.588SS**  trans-154.546.4-173.7-127.5-5.4000116.6M97N95-M97 VanDerWaalsContact C-N 3.32Å; N95-M97 PolarHBondContact O-N 2.89Å; N95-M97 VanDerWaalsContact O-N 3.14Å
96M42.7Very low56.1Low187 Ų18798.3 Ų98.392%0.92158%0.583SS**  trans-76.590.3154.2-72.8-151.779.400108.5M98M96-M98 PolarHBondContact O-N 3.49Å
97M45.3Very low57.1Low151 Ų15195.9 Ų95.974%0.74458%0.582SS**  trans-56123.1174-76-178.7160.500110.2N95 V99N95-M97 VanDerWaalsContact C-N 3.32Å; N95-M97 PolarHBondContact O-N 2.89Å; N95-M97 VanDerWaalsContact O-N 3.14Å; M97-V99 PolarHBondContact O-N 3.4Å
98M59Low58Low185 Ų18595.5 Ų95.591%0.91156%0.563SS**  trans-75.193.9171.5-64.4-149.9-53.700109M96 T100M96-M98 PolarHBondContact O-N 3.49Å; M98-T100 PolarHBondContact O-N 3.31Å
99V79.1Confident58.9Low51 Ų5197.7 Ų97.731%0.30956%0.557SS.*PPolyproline II helixtrans-61118.5178.1179.40000109.9M97 Y364M97-V99 PolarHBondContact O-N 3.4Å; V99-Y364 HydrophobicContact CG1-CD1 3.24Å; V99-Y364 HydrophobicContact CG1-CD2 4.16Å; V99-Y364 HydrophobicContact CG1-CE1 3.39Å; V99-Y364 HydrophobicContact CG1-CE2 4.29Å; V99-Y364 HydrophobicContact CG1-CG 3.65Å
100T86.4Confident59.8Low73 Ų7396 Ų9645%0.44856%0.556SS.*PPolyproline II helixtrans-58.4127.4177.9-46.20000110.6M98 T168M98-T100 PolarHBondContact O-N 3.31Å; T100-T168 HydrophobicContact CG2-CG2 3.76Å
101P91.2Very high61Low55 Ų5593.5 Ų93.536%0.35755%0.554SS.*PPolyproline II helixtrans-68135.7179.328.2-34.7000111.3Y364 R365P101-Y364 CarbonylContact C-O 3.6Å; P101-Y364 WeakPolarHBondContact CA-O 3.37Å; P101-R365 HydrophobicContact CB-CB 4Å; P101-R365 HydrophobicContact CB-CG 4.44Å
102I93.3Very high62.7Low0 Ų090.4 Ų90.40%054%0.538CS..SBendtrans-68.7-43.8175.9-65.8162000110.3D104 A125 R129 G169 L359 Y364 T366I102-D104 VanDerWaalsContact C-N 3.29Å; I102-D104 PolarHBondContact O-N 3.02Å; I102-A125 HydrophobicContact CG2-CB 3.7Å; I102-R129 HydrophobicContact CD1-CG 4.02Å; I102-R129 HydrophobicContact CG1-CG 4.14Å; I102-G169 PolarHBondContact O-N 2.98Å; I102-L359 HydrophobicContact CD1-CD1 4.28Å; I102-Y364 HydrophobicContact CD1-CD1 4.4Å; I102-Y364 HydrophobicContact CD1-CG 4.32Å; I102-Y364 PolarHBondContact N-O 3.39Å; I102-T366 HydrophobicContact CD1-CG2 4.08Å
103N91.4Very high65Low25 Ų2587.9 Ų87.913%0.13452%0.518CS..  trans-8080.5171.2172.783.8000109.3H106 R118 R365N103-H106 PolarHBondContact ND2-NE2 2.9Å; N103-H106 PolarHBondContact O-CE1 3.41Å; N103-R118 PolarHBondContact OD1-NH1 3.41Å; N103-R118 PolarHBondContact OD1-NH2 2.89Å; N103-R365 VanDerWaalsContact CB-O 3.28Å; N103-R365 WeakPolarHBondContact CB-O 3.22Å; N103-R365 PolarHBondContact N-O 3.47Å
104D88.7Confident67.1Low40 Ų4084.1 Ų84.121%0.21449%0.492CS..  trans-104.2-6.6177.167-26.1000113.4I102 H106 T168 G169 S170I102-D104 VanDerWaalsContact C-N 3.29Å; I102-D104 PolarHBondContact O-N 3.02Å; D104-H106 PolarHBondContact O-N 3.04Å; D104-H106 PolarHBondContact O-ND1 2.93Å; D104-T168 VanDerWaalsContact CG-OG1 3.25Å; D104-T168 WeakPolarHBondContact OD1-CB 3.49Å; D104-T168 PolarHBondContact OD1-OG1 3.43Å; D104-T168 WeakPolarHBondContact OD2-CB 3.17Å; D104-T168 PolarHBondContact OD2-OG1 2.82Å; D104-G169 PolarHBondContact OD1-N 3.27Å; D104-S170 WeakPolarHBondContact OD1-CB 3.41Å; D104-S170 PolarHBondContact OD1-N 3.03Å; D104-S170 VanDerWaalsContact OD2-CB 3.27Å; D104-S170 WeakPolarHBondContact OD2-CB 3.35Å; D104-S170 PolarHBondContact OD2-OG 2.84Å
105L83.6Confident69.2Low8 Ų889.4 Ų89.44%0.04250%0.503CS..  trans-63.965.8177.8-68165.3000113W108 R118 R121L105-W108 HydrophobicContact CD2-CD2 4.4Å; L105-W108 HydrophobicContact CD2-CE3 4.06Å; L105-R118 HydrophobicContact CB-CG 4.31Å; L105-R118 HydrophobicContact CD1-CB 4.45Å; L105-R118 HydrophobicContact CD1-CG 3.81Å; L105-R118 PolarHBondContact O-NE 3.21Å; L105-R118 PolarHBondContact O-NH2 3.38Å; L105-R118 VanDerWaalsContact O-NH2 3.09Å; L105-R121 HydrophobicContact CD1-CB 3.96Å
106H66.7Low71.6Confident119 Ų11985 Ų8555%0.55149%0.488SS*.  trans-111.8142.9174.5-55.6102.7000109.3N103 D104 W108N103-H106 PolarHBondContact ND2-NE2 2.9Å; N103-H106 PolarHBondContact O-CE1 3.41Å; D104-H106 PolarHBondContact O-N 3.04Å; D104-H106 PolarHBondContact O-ND1 2.93Å; H106-W108 PolarHBondContact O-N 2.85Å
107G60.7Low73.9Confident84 Ų8476.1 Ų76.187%0.86645%0.445SS*.SBendtrans72.7-3.2-17300000114.8E109G107-E109 PolarHBondContact O-N 3.21Å
108W60.4Low76Confident75 Ų7573.7 Ų73.728%0.28443%0.427SS..  trans-75.3118.5172.2-159.8-63.9000109.9L105 H106 S112 L113 E183L105-W108 HydrophobicContact CD2-CD2 4.4Å; L105-W108 HydrophobicContact CD2-CE3 4.06Å; H106-W108 PolarHBondContact O-N 2.85Å; W108-S112 PolarHBondContact NE1-OG 3.04Å; W108-L113 HydrophobicContact CG-CD1 4.07Å; W108-L113 HydrophobicContact CG-CG 4.37Å; W108-L113 HydrophobicContact CZ2-CD2 4.48Å; W108-E183 HydrophobicContact CH2-CG 4.35Å; W108-E183 VanDerWaalsContact CH2-OE1 3.3Å; W108-E183 WeakPolarHBondContact CH2-OE1 3.46Å; W108-E183 HydrophobicContact CZ2-CG 4.16Å; W108-E183 VanDerWaalsContact CZ2-OE1 3.29Å; W108-E183 WeakPolarHBondContact CZ2-OE1 3.42Å
109E53.1Low77.6Confident140 Ų14067.8 Ų67.865%0.65440%0.399SS*.  trans-56.8123.6-169.5-86.8-58.4140.600113.1G107 G111 S112G107-E109 PolarHBondContact O-N 3.21Å; E109-G111 PolarHBondContact O-N 2.88Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 PolarHBondContact O-OG 2.78Å
110P50.4Low78.3Confident119 Ų11967.1 Ų67.177%0.77339%0.393SS*.THydrogen-bonded Turntrans-58.8-19.6-171-28.636.1000116.3
111G56.4Low78.7Confident81 Ų8163.6 Ų63.684%0.83537%0.371SS*.THydrogen-bonded Turntrans-86.5-8.7176.700000115.5E109E109-G111 PolarHBondContact O-N 2.88Å
112S65.9Low78.9Confident63 Ų6361.1 Ų61.144%0.44136%0.355SS..THydrogen-bonded Turntrans-95.5-20-170.964.80000115.1W108 E109W108-S112 PolarHBondContact NE1-OG 3.04Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 PolarHBondContact O-OG 2.78Å
113L77.5Confident79Confident30 Ų3062.8 Ų62.816%0.15736%0.363CS..SBendtrans-96.3141.2177.1-68.1172.2000111W108 E117 R118W108-L113 HydrophobicContact CG-CD1 4.07Å; W108-L113 HydrophobicContact CG-CG 4.37Å; W108-L113 HydrophobicContact CZ2-CD2 4.48Å; L113-E117 HydrophobicContact CB-CB 4.36Å; L113-E117 HydrophobicContact CD2-CG 4.27Å; L113-E117 WeakPolarHBondContact CD2-OE1 3.48Å; L113-R118 HydrophobicContact CD1-CB 4.28Å
114V81.6Confident79.2Confident54 Ų5461.6 Ų61.633%0.32736%0.356SS..  trans-63.7147.1176.21800000109.9G116 E117 V148V114-G116 PolarHBondContact O-N 3.39Å; V114-E117 HydrophobicContact CB-CB 4.21Å; V114-E117 PolarHBondContact N-OE2 3.06Å; V114-E117 VanDerWaalsContact N-OE2 3.1Å; V114-E117 WeakPolarHBondContact O-CB 3.46Å; V114-E117 PolarHBondContact O-N 2.74Å; V114-V148 HydrophobicContact CB-CG1 4.17Å
115K83.3Confident79.6Confident209 Ų20959.7 Ų59.791%0.90935%0.346SS*.THydrogen-bonded Turntrans-54.6107.7-177.3-175.6179.2-179.9177.50111.8
116G86.4Confident80.2Confident37 Ų3759.4 Ų59.438%0.38134%0.344SS..THydrogen-bonded Turntrans96.9-7.2-178.300000115.2V114 R118 L119 M120V114-G116 PolarHBondContact O-N 3.39Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.94Å; G116-L119 PolarHBondContact O-N 3.18Å; G116-L119 VanDerWaalsContact O-N 3.07Å; G116-M120 WeakPolarHBondContact O-CG 3.41Å; G116-M120 PolarHBondContact O-N 2.92Å; G116-M120 VanDerWaalsContact O-N 3.09Å
117E91.1Very high81.6Confident0 Ų053.7 Ų53.70%032%0.318CS..Hα-helixtrans-57.8-41.2179.3-176-179.3156.100112.1L113 V114 L119 M120 R121 V148 K174L113-E117 HydrophobicContact CB-CB 4.36Å; L113-E117 HydrophobicContact CD2-CG 4.27Å; L113-E117 WeakPolarHBondContact CD2-OE1 3.48Å; V114-E117 HydrophobicContact CB-CB 4.21Å; V114-E117 PolarHBondContact N-OE2 3.06Å; V114-E117 VanDerWaalsContact N-OE2 3.1Å; V114-E117 WeakPolarHBondContact O-CB 3.46Å; V114-E117 PolarHBondContact O-N 2.74Å; E117-L119 VanDerWaalsContact C-N 3.27Å; E117-L119 PolarHBondContact O-N 3.2Å; E117-M120 WeakPolarHBondContact O-CA 3.18Å; E117-M120 WeakPolarHBondContact O-CB 3.45Å; E117-M120 PolarHBondContact O-N 2.94Å; E117-R121 HydrophobicContact CG-CG 4.4Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.81Å; E117-R121 IonicContact OE1-CZ 2.75Å; E117-R121 IonicContact OE1-NE 3.22Å; E117-R121 PolarHBondContact OE1-NE 3.18Å; E117-R121 IonicContact OE1-NH2 3.27Å; E117-R121 PolarHBondContact OE1-NH2 2.79Å; E117-V148 HydrophobicContact CB-CG1 3.85Å; E117-V148 HydrophobicContact CG-CG1 3.66Å; E117-V148 HydrophobicContact CG-CG2 4.32Å; E117-K174 VanDerWaalsContact CD-NZ 3.29Å; E117-K174 WeakPolarHBondContact OE1-CD 3.48Å; E117-K174 IonicContact OE1-NZ 3.79Å; E117-K174 PolarHBondContact OE1-NZ 3.16Å; E117-K174 IonicContact OE2-NZ 2.67Å; E117-K174 PolarHBondContact OE2-NZ 2.83Å
118R90.8Very high83.2Confident99 Ų9949.7 Ų49.737%0.37428%0.277SS..Hα-helixtrans-52.2-43.8174.1-172.3177.8-167.4-85.12.8112.4N103 L105 L113 G116 C122N103-R118 PolarHBondContact OD1-NH1 3.41Å; N103-R118 PolarHBondContact OD1-NH2 2.89Å; L105-R118 HydrophobicContact CB-CG 4.31Å; L105-R118 HydrophobicContact CD1-CB 4.45Å; L105-R118 HydrophobicContact CD1-CG 3.81Å; L105-R118 PolarHBondContact O-NE 3.21Å; L105-R118 PolarHBondContact O-NH2 3.38Å; L105-R118 VanDerWaalsContact O-NH2 3.09Å; L113-R118 HydrophobicContact CD1-CB 4.28Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.94Å; R118-C122 PolarHBondContact O-N 2.86Å; R118-C122 VanDerWaalsContact O-N 3.1Å; R118-C122 PolarHBondContact O-SG 2.67Å; R118-C122 VanDerWaalsContact O-SG 3.36Å
119L91.7Very high84.8Confident61 Ų6146.4 Ų46.432%0.31926%0.264SS..Hα-helixtrans-73.3-33.4177.9179.661.7000111.8G116 E117 C122 K123G116-L119 PolarHBondContact O-N 3.18Å; G116-L119 VanDerWaalsContact O-N 3.07Å; E117-L119 VanDerWaalsContact C-N 3.27Å; E117-L119 PolarHBondContact O-N 3.2Å; L119-C122 PolarHBondContact O-N 3.42Å; L119-K123 HydrophobicContact CD1-CG 4.39Å; L119-K123 HydrophobicContact CG-CD 4.45Å; L119-K123 VanDerWaalsContact O-CG 3.3Å; L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.88Å
120M93.7Very high86.8Confident37 Ų3740 Ų4018%0.18224%0.235CC..Hα-helixtrans-66.4-43.6175.3-65.9172-158.600111.5G116 E117 K123 L124 L146 V148 L156 R210G116-M120 WeakPolarHBondContact O-CG 3.41Å; G116-M120 PolarHBondContact O-N 2.92Å; G116-M120 VanDerWaalsContact O-N 3.09Å; E117-M120 WeakPolarHBondContact O-CA 3.18Å; E117-M120 WeakPolarHBondContact O-CB 3.45Å; E117-M120 PolarHBondContact O-N 2.94Å; M120-K123 PolarHBondContact O-N 2.87Å; M120-L124 PolarHBondContact O-N 2.85Å; M120-L146 HydrophobicContact CB-CD2 3.69Å; M120-L146 HydrophobicContact CG-CD2 4.28Å; M120-L146 WeakPolarHBondContact O-CD2 3.34Å; M120-V148 HydrophobicContact SD-CG1 4.39Å; M120-L156 HydrophobicContact CB-CD1 4.19Å; M120-R210 VanDerWaalsContact CE-NH2 3.29Å; M120-R210 PolarHBondContact SD-NH2 3.46Å
121R94.6Very high88.8Confident0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-56.6-51.8171.3-73.3171.1175.4-92.10.6111.5L105 E117 K123 L124 A125 L156 G169 L172 E183L105-R121 HydrophobicContact CD1-CB 3.96Å; E117-R121 HydrophobicContact CG-CG 4.4Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.81Å; E117-R121 IonicContact OE1-CZ 2.75Å; E117-R121 IonicContact OE1-NE 3.22Å; E117-R121 PolarHBondContact OE1-NE 3.18Å; E117-R121 IonicContact OE1-NH2 3.27Å; E117-R121 PolarHBondContact OE1-NH2 2.79Å; R121-K123 VanDerWaalsContact C-N 3.34Å; R121-K123 PolarHBondContact O-N 3.44Å; R121-L124 PolarHBondContact O-N 2.89Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 2.75Å; R121-L156 HydrophobicContact CB-CD1 4.39Å; R121-L156 HydrophobicContact CG-CD1 3.57Å; R121-L156 HydrophobicContact CG-CD2 3.83Å; R121-L156 HydrophobicContact CG-CG 4.36Å; R121-G169 WeakPolarHBondContact CB-O 3.47Å; R121-G169 WeakPolarHBondContact CD-O 3.32Å; R121-G169 PolarHBondContact NH1-O 2.87Å; R121-L172 HydrophobicContact CB-CD1 4.25Å; R121-L172 HydrophobicContact CG-CD1 4.48Å; R121-L172 PolarHBondContact NH1-O 3.17Å; R121-L172 WeakPolarHBondContact O-CD1 3.21Å; R121-E183 IonicContact CZ-OE1 3.95Å; R121-E183 IonicContact NH1-OE1 3.44Å; R121-E183 VanDerWaalsContact NH2-CD 3.31Å; R121-E183 IonicContact NH2-OE1 2.6Å; R121-E183 PolarHBondContact NH2-OE1 3.36Å; R121-E183 IonicContact NH2-OE2 3.83Å; R121-E183 PolarHBondContact NH2-OE2 2.84Å
122C94.8Very high90.5Very high3 Ų333.2 Ų33.22%0.0217%0.173CC..Hα-helixtrans-54.3-45.3174.1-760000113R118 L119 S126 T366R118-C122 PolarHBondContact O-N 2.86Å; R118-C122 VanDerWaalsContact O-N 3.1Å; R118-C122 PolarHBondContact O-SG 2.67Å; R118-C122 VanDerWaalsContact O-SG 3.36Å; L119-C122 PolarHBondContact O-N 3.42Å; C122-S126 VanDerWaalsContact O-CB 3.26Å; C122-S126 WeakPolarHBondContact O-CB 3.46Å; C122-S126 PolarHBondContact O-N 2.8Å; C122-S126 PolarHBondContact O-OG 3.24Å; C122-T366 VanDerWaalsContact CB-O 3.28Å; C122-T366 WeakPolarHBondContact CB-O 3.37Å; C122-T366 PolarHBondContact SG-O 2.74Å
123K95.8Very high91.8Very high35 Ų3534 Ų3415%0.15217%0.172CC..Hα-helixtrans-67.8-42-179.6-73.1-177.1-172.9-155.10113.1L119 M120 R121 T127 M286 E287 F352 Y368L119-K123 HydrophobicContact CD1-CG 4.39Å; L119-K123 HydrophobicContact CG-CD 4.45Å; L119-K123 VanDerWaalsContact O-CG 3.3Å; L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.88Å; M120-K123 PolarHBondContact O-N 2.87Å; R121-K123 VanDerWaalsContact C-N 3.34Å; R121-K123 PolarHBondContact O-N 3.44Å; K123-T127 PolarHBondContact O-N 2.8Å; K123-T127 VanDerWaalsContact O-N 3.1Å; K123-T127 PolarHBondContact O-OG1 3.01Å; K123-M286 HydrophobicContact CB-CB 4.49Å; K123-M286 HydrophobicContact CB-CG 4.22Å; K123-E287 WeakPolarHBondContact CD-OE1 3.26Å; K123-E287 WeakPolarHBondContact CE-OE1 3.33Å; K123-E287 IonicContact NZ-OE1 2.74Å; K123-E287 PolarHBondContact NZ-OE1 2.89Å; K123-F352 HydrophobicContact CB-CZ 4.45Å; K123-F352 HydrophobicContact CG-CE1 4.21Å; K123-Y368 HydrophobicContact CD-CE2 4.12Å; K123-Y368 HydrophobicContact CG-CD2 4.11Å; K123-Y368 HydrophobicContact CG-CE2 4.15Å
124L96.4Very high92.5Very high0 Ų036.3 Ų36.30%018%0.179CC..Hα-helixtrans-65.4-50.4177.1-178.758.6000110.9M120 R121 S126 T127 H128 L144 L146 L156 L172 M286M120-L124 PolarHBondContact O-N 2.85Å; R121-L124 PolarHBondContact O-N 2.89Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-S126 PolarHBondContact O-N 2.86Å; L124-T127 WeakPolarHBondContact O-CA 3.46Å; L124-T127 WeakPolarHBondContact O-CB 3.08Å; L124-T127 PolarHBondContact O-N 3.29Å; L124-H128 PolarHBondContact O-CD2 2.83Å; L124-H128 VanDerWaalsContact O-CD2 3.25Å; L124-H128 PolarHBondContact O-N 3.29Å; L124-L144 HydrophobicContact CD1-CB 3.75Å; L124-L146 HydrophobicContact CB-CD2 4.24Å; L124-L146 HydrophobicContact CD2-CB 4.07Å; L124-L156 HydrophobicContact CD2-CB 3.59Å; L124-L172 HydrophobicContact CB-CD1 3.96Å; L124-L172 HydrophobicContact CD2-CD1 4.02Å; L124-L172 HydrophobicContact CD2-CD2 3.93Å; L124-L172 HydrophobicContact CG-CD1 4.09Å; L124-L172 HydrophobicContact CG-CD2 4.22Å; L124-M286 HydrophobicContact CD1-CE 3.62Å; L124-M286 HydrophobicContact CD1-SD 4.34Å
125A95.8Very high92.9Very high0 Ų035.4 Ų35.40%018%0.18CC..Hα-helixtrans-59.4-39.8176.200000112.6I102 R121 T127 H128 R129 V167 T168 L172I102-A125 HydrophobicContact CG2-CB 3.7Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 2.75Å; A125-T127 PolarHBondContact O-N 3.27Å; A125-H128 PolarHBondContact O-N 2.89Å; A125-R129 WeakPolarHBondContact O-CG 3.01Å; A125-R129 PolarHBondContact O-N 3.22Å; A125-R129 VanDerWaalsContact O-N 3.12Å; A125-V167 HydrophobicContact CB-CG1 3.91Å; A125-T168 WeakPolarHBondContact CB-O 3.39Å; A125-L172 HydrophobicContact CB-CD1 4.11Å
126S96.4Very high93.3Very high1 Ų126.6 Ų26.61%0.00714%0.141CC..Hα-helixtrans-60.7-33.1172.5-58.40000112.7C122 L124 R129 L130C122-S126 VanDerWaalsContact O-CB 3.26Å; C122-S126 WeakPolarHBondContact O-CB 3.46Å; C122-S126 PolarHBondContact O-N 2.8Å; C122-S126 PolarHBondContact O-OG 3.24Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-S126 PolarHBondContact O-N 2.86Å; S126-R129 PolarHBondContact O-N 2.93Å; S126-L130 WeakPolarHBondContact O-CG 3.5Å; S126-L130 PolarHBondContact O-N 3.14Å
127T96Very high93Very high0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-75.5-35.8177.5-56.80000112.4K123 L124 A125 R129 L130 F131 L144 L213 M286 F290K123-T127 PolarHBondContact O-N 2.8Å; K123-T127 VanDerWaalsContact O-N 3.1Å; K123-T127 PolarHBondContact O-OG1 3.01Å; L124-T127 WeakPolarHBondContact O-CA 3.46Å; L124-T127 WeakPolarHBondContact O-CB 3.08Å; L124-T127 PolarHBondContact O-N 3.29Å; A125-T127 PolarHBondContact O-N 3.27Å; T127-R129 VanDerWaalsContact C-N 3.32Å; T127-R129 PolarHBondContact O-N 3.05Å; T127-L130 PolarHBondContact O-N 3.18Å; T127-L130 VanDerWaalsContact O-N 3.16Å; T127-F131 HydrophobicContact CG2-CD2 3.83Å; T127-F131 HydrophobicContact CG2-CE2 3.71Å; T127-F131 WeakPolarHBondContact O-CD2 3.39Å; T127-F131 PolarHBondContact O-N 3.07Å; T127-L144 HydrophobicContact CG2-CD1 3.93Å; T127-L213 HydrophobicContact CG2-CD2 4.34Å; T127-M286 VanDerWaalsContact CB-CE 3.48Å; T127-M286 HydrophobicContact CG2-CE 3.75Å; T127-M286 VanDerWaalsContact OG1-CE 3.23Å; T127-M286 WeakPolarHBondContact OG1-CE 3.28Å; T127-F290 HydrophobicContact CG2-CD2 3.54Å; T127-F290 HydrophobicContact CG2-CE2 3.85Å
128H94.9Very high91.6Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-57.5-46.2169-73.4-79.9000111.1L124 A125 L130 F131 D132 Y164 V167L124-H128 PolarHBondContact O-CD2 2.83Å; L124-H128 VanDerWaalsContact O-CD2 3.25Å; L124-H128 PolarHBondContact O-N 3.29Å; A125-H128 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact C-N 3.31Å; H128-L130 PolarHBondContact O-N 2.83Å; H128-F131 PolarHBondContact O-N 3.02Å; H128-D132 PolarHBondContact O-N 2.6Å; H128-Y164 HydrophobicContact CB-CD2 3.96Å; H128-Y164 HydrophobicContact CB-CG 4.14Å; H128-Y164 AromaticContact CE1-CE1 3.92Å; H128-Y164 AromaticContact CE1-CZ 3.69Å; H128-Y164 AromaticContact ND1-CD1 3.64Å; H128-Y164 AromaticContact ND1-CD2 3.46Å; H128-Y164 WeakPolarHBondContact ND1-CD2 3.35Å; H128-Y164 AromaticContact ND1-CE1 3.42Å; H128-Y164 WeakPolarHBondContact ND1-CE1 3.46Å; H128-Y164 AromaticContact ND1-CE2 3.25Å; H128-Y164 WeakPolarHBondContact ND1-CE2 3.21Å; H128-Y164 AromaticContact ND1-CG 3.67Å; H128-Y164 AromaticContact ND1-CZ 3.23Å; H128-Y164 WeakPolarHBondContact O-CD2 3.49Å; H128-V167 HydrophobicContact CB-CB 3.99Å; H128-V167 HydrophobicContact CB-CG1 4.32Å; H128-V167 HydrophobicContact CB-CG2 3.64Å
129R93.7Very high90.1Very high6 Ų637.3 Ų37.32%0.02319%0.193CC..Hα-helixtrans-62.1-34.1175-59.4-66.2-177.4124.513.4112.9I102 A125 S126 T127 L133 Y164 S165 E166 V167 L359 Y364I102-R129 HydrophobicContact CD1-CG 4.02Å; I102-R129 HydrophobicContact CG1-CG 4.14Å; A125-R129 WeakPolarHBondContact O-CG 3.01Å; A125-R129 PolarHBondContact O-N 3.22Å; A125-R129 VanDerWaalsContact O-N 3.12Å; S126-R129 PolarHBondContact O-N 2.93Å; T127-R129 VanDerWaalsContact C-N 3.32Å; T127-R129 PolarHBondContact O-N 3.05Å; R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 VanDerWaalsContact O-CG 3.23Å; R129-L133 WeakPolarHBondContact O-CG 3.35Å; R129-L133 PolarHBondContact O-N 3.25Å; R129-Y164 WeakPolarHBondContact CD-O 3.44Å; R129-S165 PolarHBondContact NE-O 3.31Å; R129-S165 PolarHBondContact NH1-O 3.39Å; R129-E166 VanDerWaalsContact NH2-C 3.28Å; R129-E166 PolarHBondContact NH2-O 3.01Å; R129-V167 VanDerWaalsContact CZ-O 3.26Å; R129-V167 PolarHBondContact NE-O 3.2Å; R129-V167 PolarHBondContact NH2-O 2.77Å; R129-L359 HydrophobicContact CB-CD2 4.37Å; R129-Y364 HydrophobicContact CB-CD1 4.47Å; R129-Y364 HydrophobicContact CB-CE1 4.37Å; R129-Y364 HydrophobicContact CG-CD1 4.12Å; R129-Y364 HydrophobicContact CG-CE1 4.21Å
130L95.1Very high88.4Confident5 Ų535.8 Ų35.83%0.02619%0.188CC..Hα-helixtrans-70.3-39.1173.9-72.4166.7000112.7S126 T127 H128 D132 L133 Y134 F290 L355 M356 L359S126-L130 WeakPolarHBondContact O-CG 3.5Å; S126-L130 PolarHBondContact O-N 3.14Å; T127-L130 PolarHBondContact O-N 3.18Å; T127-L130 VanDerWaalsContact O-N 3.16Å; H128-L130 VanDerWaalsContact C-N 3.31Å; H128-L130 PolarHBondContact O-N 2.83Å; L130-D132 VanDerWaalsContact C-N 3.31Å; L130-D132 PolarHBondContact O-N 3.12Å; L130-L133 PolarHBondContact O-N 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.34Å; L130-Y134 WeakPolarHBondContact O-CD2 3.37Å; L130-Y134 PolarHBondContact O-N 3.1Å; L130-F290 HydrophobicContact CB-CE2 4.03Å; L130-F290 HydrophobicContact CB-CZ 4.11Å; L130-F290 HydrophobicContact CD1-CE2 3.99Å; L130-F290 HydrophobicContact CD1-CZ 3.85Å; L130-L355 HydrophobicContact CD1-CB 4.07Å; L130-L355 HydrophobicContact CD1-CD1 4.24Å; L130-L355 HydrophobicContact CD2-CB 4.2Å; L130-L355 HydrophobicContact CD2-CD2 4.44Å; L130-M356 HydrophobicContact CD1-CE 3.73Å; L130-L359 HydrophobicContact CD1-CD1 4.39Å; L130-L359 HydrophobicContact CD2-CD1 4.37Å; L130-L359 HydrophobicContact CD2-CD2 4.12Å; L130-L359 HydrophobicContact CD2-CG 4.2Å; L130-L359 HydrophobicContact CG-CD1 4.1Å; L130-L359 HydrophobicContact CG-CD2 4.41Å; L130-L359 HydrophobicContact CG-CG 4.45Å
131F93.9Very high87.2Confident0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-65.4-35.3175.6-89.1-131000111.8T127 H128 G135 W136 A137 L144 Y164 L213 L215 F290 I293T127-F131 HydrophobicContact CG2-CD2 3.83Å; T127-F131 HydrophobicContact CG2-CE2 3.71Å; T127-F131 WeakPolarHBondContact O-CD2 3.39Å; T127-F131 PolarHBondContact O-N 3.07Å; H128-F131 PolarHBondContact O-N 3.02Å; F131-G135 PolarHBondContact O-N 3.12Å; F131-W136 HydrophobicContact CD1-CB 4.24Å; F131-W136 HydrophobicContact CD1-CE3 4.23Å; F131-W136 AromaticContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CZ3 4.31Å; F131-W136 HydrophobicContact CE1-CE3 4.24Å; F131-W136 AromaticContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CZ3 4.05Å; F131-W136 HydrophobicContact CG-CB 4.49Å; F131-W136 HydrophobicContact CG-CE3 4.08Å; F131-W136 HydrophobicContact CZ-CE3 4.1Å; F131-W136 HydrophobicContact CZ-CZ3 4.4Å; F131-W136 PolarHBondContact O-N 3.13Å; F131-A137 PolarHBondContact O-N 3.26Å; F131-L144 HydrophobicContact CD1-CD1 4.23Å; F131-L144 HydrophobicContact CD1-CD2 3.96Å; F131-L144 HydrophobicContact CD2-CD1 4.31Å; F131-L144 HydrophobicContact CE1-CD1 4.33Å; F131-L144 HydrophobicContact CE1-CD2 3.42Å; F131-L144 VanDerWaalsContact CE1-CD2 3.42Å; F131-L144 HydrophobicContact CE1-CG 4.49Å; F131-L144 HydrophobicContact CE2-CD1 4.41Å; F131-L144 HydrophobicContact CE2-CD2 4.5Å; F131-L144 HydrophobicContact CG-CD1 4.23Å; F131-L144 HydrophobicContact CZ-CD1 4.41Å; F131-L144 HydrophobicContact CZ-CD2 3.74Å; F131-Y164 HydrophobicContact CB-CD2 3.68Å; F131-Y164 HydrophobicContact CB-CE2 3.86Å; F131-Y164 HydrophobicContact CD1-CE2 4.06Å; F131-Y164 HydrophobicContact CG-CE2 4.26Å; F131-L213 HydrophobicContact CZ-CB 4.26Å; F131-L213 HydrophobicContact CZ-CD1 4.39Å; F131-L215 HydrophobicContact CD1-CD1 3.97Å; F131-L215 HydrophobicContact CE1-CD1 3.37Å; F131-L215 HydrophobicContact CZ-CD1 3.96Å; F131-F290 HydrophobicContact CD2-CE2 4.16Å; F131-F290 HydrophobicContact CE2-CD2 4.11Å; F131-F290 AromaticContact CE2-CE2 3.91Å; F131-F290 HydrophobicContact CE2-CE2 3.91Å; F131-I293 HydrophobicContact CE2-CG2 4.2Å; F131-I293 HydrophobicContact CZ-CG2 3.94Å
132D91.9Very high86.8Confident58 Ų5840.6 Ų40.631%0.3121%0.21SC..Hα-helixtrans-65.1-53.4170.5-175.664.5000111.6H128 L130 Y134 G135 S165H128-D132 PolarHBondContact O-N 2.6Å; L130-D132 VanDerWaalsContact C-N 3.31Å; L130-D132 PolarHBondContact O-N 3.12Å; D132-Y134 PolarHBondContact O-N 2.69Å; D132-G135 PolarHBondContact O-N 2.75Å; D132-S165 VanDerWaalsContact OD2-CB 3.25Å; D132-S165 WeakPolarHBondContact OD2-CB 3.35Å
133L92.2Very high86.6Confident79 Ų7941.2 Ų41.241%0.41421%0.213SC..Hα-helixtrans-61.6-24.8179.2-74.1169.5000114.3R129 L130 L359 L362 Y364R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 VanDerWaalsContact O-CG 3.23Å; R129-L133 WeakPolarHBondContact O-CG 3.35Å; R129-L133 PolarHBondContact O-N 3.25Å; L130-L133 PolarHBondContact O-N 3.26Å; L133-L359 HydrophobicContact CD1-CD2 3.62Å; L133-L362 HydrophobicContact CD1-CD1 4.21Å; L133-Y364 HydrophobicContact CD1-CE2 4.02Å
134Y92.2Very high86.6Confident79 Ų7939.5 Ų39.531%0.3121%0.206SC..THydrogen-bonded Turntrans-92.40.3173-64.6-24.4000114L130 D132 W136 F290 Y294 L355L130-Y134 WeakPolarHBondContact O-CB 3.34Å; L130-Y134 WeakPolarHBondContact O-CD2 3.37Å; L130-Y134 PolarHBondContact O-N 3.1Å; D132-Y134 PolarHBondContact O-N 2.69Å; Y134-W136 VanDerWaalsContact C-N 3.29Å; Y134-W136 HydrophobicContact CD2-CD2 4.35Å; Y134-W136 AromaticContact CD2-CE2 3.98Å; Y134-W136 HydrophobicContact CD2-CE3 4.29Å; Y134-W136 AromaticContact CD2-CH2 3.56Å; Y134-W136 HydrophobicContact CD2-CH2 3.56Å; Y134-W136 AromaticContact CD2-CZ2 3.58Å; Y134-W136 HydrophobicContact CD2-CZ2 3.58Å; Y134-W136 AromaticContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CE2-CH2 4.08Å; Y134-W136 HydrophobicContact CE2-CZ2 4.35Å; Y134-W136 HydrophobicContact CG-CZ2 4.11Å; Y134-W136 PolarHBondContact O-N 3.06Å; Y134-W136 PolarHBondContact O-NE1 3.32Å; Y134-F290 AromaticContact CE2-CZ 3.91Å; Y134-F290 HydrophobicContact CE2-CZ 3.91Å; Y134-Y294 AromaticContact CE2-CD2 3.89Å; Y134-Y294 HydrophobicContact CE2-CD2 3.89Å; Y134-Y294 AromaticContact CE2-CE2 3.8Å; Y134-Y294 HydrophobicContact CE2-CE2 3.8Å; Y134-Y294 AromaticContact CZ-CE2 3.97Å; Y134-L355 VanDerWaalsContact OH-CD2 3.26Å; Y134-L355 WeakPolarHBondContact OH-CD2 3.45Å
135G90.7Very high86.6Confident35 Ų3539.5 Ų39.536%0.36121%0.206SC..THydrogen-bonded Turntrans72.117.1179.200000114.7F131 D132F131-G135 PolarHBondContact O-N 3.12Å; D132-G135 PolarHBondContact O-N 2.75Å
136W90.8Very high86.6Confident23 Ų2339.7 Ų39.79%0.08721%0.207CC..THydrogen-bonded Turntrans-83.4-18.3-177.5-58.2-9.2000113.1F131 Y134 S140 L215 T217 I293 Y294 Q297F131-W136 HydrophobicContact CD1-CB 4.24Å; F131-W136 HydrophobicContact CD1-CE3 4.23Å; F131-W136 AromaticContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CZ3 4.31Å; F131-W136 HydrophobicContact CE1-CE3 4.24Å; F131-W136 AromaticContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CZ3 4.05Å; F131-W136 HydrophobicContact CG-CB 4.49Å; F131-W136 HydrophobicContact CG-CE3 4.08Å; F131-W136 HydrophobicContact CZ-CE3 4.1Å; F131-W136 HydrophobicContact CZ-CZ3 4.4Å; F131-W136 PolarHBondContact O-N 3.13Å; Y134-W136 VanDerWaalsContact C-N 3.29Å; Y134-W136 HydrophobicContact CD2-CD2 4.35Å; Y134-W136 AromaticContact CD2-CE2 3.98Å; Y134-W136 HydrophobicContact CD2-CE3 4.29Å; Y134-W136 AromaticContact CD2-CH2 3.56Å; Y134-W136 HydrophobicContact CD2-CH2 3.56Å; Y134-W136 AromaticContact CD2-CZ2 3.58Å; Y134-W136 HydrophobicContact CD2-CZ2 3.58Å; Y134-W136 AromaticContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CE2-CH2 4.08Å; Y134-W136 HydrophobicContact CE2-CZ2 4.35Å; Y134-W136 HydrophobicContact CG-CZ2 4.11Å; Y134-W136 PolarHBondContact O-N 3.06Å; Y134-W136 PolarHBondContact O-NE1 3.32Å; W136-S140 PolarHBondContact O-OG 2.96Å; W136-L215 HydrophobicContact CB-CD1 3.89Å; W136-L215 HydrophobicContact CD2-CD1 4.03Å; W136-L215 HydrophobicContact CE3-CD1 3.69Å; W136-L215 HydrophobicContact CG-CD1 4.14Å; W136-T217 HydrophobicContact CB-CG2 4.04Å; W136-T217 HydrophobicContact CG-CG2 4Å; W136-I293 HydrophobicContact CZ3-CG2 4.41Å; W136-Y294 AromaticContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CG 4.4Å; W136-Y294 HydrophobicContact CZ2-CD2 4.45Å; W136-Q297 HydrophobicContact CH2-CB 4.35Å; W136-Q297 HydrophobicContact CH2-CG 4.43Å; W136-Q297 HydrophobicContact CZ2-CB 4.09Å; W136-Q297 HydrophobicContact CZ2-CG 3.69Å
137A80.3Confident86.6Confident20 Ų2039.8 Ų39.817%0.16521%0.207CC..THydrogen-bonded Turntrans-91.412.8-178.300000114.9F131 I139 Y164F131-A137 PolarHBondContact O-N 3.26Å; A137-I139 PolarHBondContact O-N 2.85Å; A137-Y164 HydrophobicContact CB-CD1 4.33Å; A137-Y164 HydrophobicContact CB-CD2 3.46Å; A137-Y164 VanDerWaalsContact CB-CD2 3.46Å; A137-Y164 HydrophobicContact CB-CE2 4.08Å; A137-Y164 HydrophobicContact CB-CG 3.59Å
138Q62.6Low86.4Confident163 Ų16340.1 Ų40.176%0.76221%0.209SC*.THydrogen-bonded Turntrans-68.397.6-175.2-75-169.2-33.400112.7S140Q138-S140 PolarHBondContact O-N 2.99Å
139I58.5Low86Confident178 Ų17840.7 Ų40.791%0.91321%0.213SC*.THydrogen-bonded Turntrans50.331.3175-33.8-178.4000112.3A137A137-I139 PolarHBondContact O-N 2.85Å
140S56Low85.5Confident30 Ų3045.6 Ų45.621%0.2123%0.234CC..  trans-107.2138.4-172.753.90000110.3W136 Q138 T142W136-S140 PolarHBondContact O-OG 2.96Å; Q138-S140 PolarHBondContact O-N 2.99Å; S140-T142 PolarHBondContact O-N 3.07Å
141H69.2Low85Confident126 Ų12654.2 Ų54.258%0.58328%0.275SS*.  trans-75.637.3176.3-59.2-50.3000112.4H216H141-H216 PolarHBondContact O-CE1 3.2Å; H141-H216 VanDerWaalsContact O-CE1 3.31Å
142T84.8Confident84.6Confident12 Ų1259.1 Ų59.17%0.07430%0.298CS..  trans-62142.1172.254.60000110.2S140 Y164 H214 H216S140-T142 PolarHBondContact O-N 3.07Å; T142-Y164 VanDerWaalsContact C-OH 3.32Å; T142-Y164 PolarHBondContact O-OH 3.25Å; T142-Y164 PolarHBondContact OG1-OH 3.09Å; T142-Y164 VanDerWaalsContact OG1-OH 3.05Å; T142-H214 VanDerWaalsContact CB-O 3.26Å; T142-H214 WeakPolarHBondContact CB-O 3.27Å; T142-H214 WeakPolarHBondContact CG2-O 3.39Å; T142-H216 HydrophobicContact CG2-CB 4.13Å
143L91Very high84.6Confident15 Ų1559.4 Ų59.48%0.07930%0.297CS..  trans-132.6125.9-177.3-175.262000109.4T145 V157 K195 H199 H214L143-T145 HydrophobicContact CD1-CG2 4.26Å; L143-T145 HydrophobicContact CD2-CG2 4.3Å; L143-T145 HydrophobicContact CG-CG2 3.98Å; L143-V157 HydrophobicContact CD1-CG1 3.91Å; L143-K195 HydrophobicContact CD2-CB 4.42Å; L143-K195 WeakPolarHBondContact CD2-O 3.23Å; L143-H199 HydrophobicContact CD2-CB 4.38Å; L143-H199 PolarHBondContact O-CE1 3.25Å; L143-H199 VanDerWaalsContact O-CE1 3.25Å; L143-H214 HydrophobicContact CB-CB 4.47Å; L143-H214 WeakPolarHBondContact O-CB 3.41Å; L143-H214 PolarHBondContact O-N 2.99Å
144L95.4Very high84.7Confident0 Ų057.1 Ų57.10%028%0.284CS..EExtended strand (participates in β ladder)trans-117.2128.3175.9-41.9-174.2000108.2L124 T127 F131 Y164 L212 L213L124-L144 HydrophobicContact CD1-CB 3.75Å; T127-L144 HydrophobicContact CG2-CD1 3.93Å; F131-L144 HydrophobicContact CD1-CD1 4.23Å; F131-L144 HydrophobicContact CD1-CD2 3.96Å; F131-L144 HydrophobicContact CD2-CD1 4.31Å; F131-L144 HydrophobicContact CE1-CD1 4.33Å; F131-L144 HydrophobicContact CE1-CD2 3.42Å; F131-L144 VanDerWaalsContact CE1-CD2 3.42Å; F131-L144 HydrophobicContact CE1-CG 4.49Å; F131-L144 HydrophobicContact CE2-CD1 4.41Å; F131-L144 HydrophobicContact CE2-CD2 4.5Å; F131-L144 HydrophobicContact CG-CD1 4.23Å; F131-L144 HydrophobicContact CZ-CD1 4.41Å; F131-L144 HydrophobicContact CZ-CD2 3.74Å; L144-Y164 HydrophobicContact CD1-CE2 3.91Å; L144-Y164 HydrophobicContact CG-CE2 4.13Å; L144-L212 WeakPolarHBondContact CA-O 2.96Å; L144-L213 HydrophobicContact CB-CD2 3.82Å; L144-L213 HydrophobicContact CD1-CD2 4.22Å; L144-L213 HydrophobicContact CD2-CB 4.08Å; L144-L213 HydrophobicContact CD2-CD2 3.77Å; L144-L213 HydrophobicContact CG-CD2 4.12Å
145T96.6Very high84.9Confident0 Ų053.3 Ų53.30%027%0.269CS..EExtended strand (participates in β ladder)trans-136.5151-178.862.60000112.6L143 L156 V157 F196 H199 Y203 C211 L212L143-T145 HydrophobicContact CD1-CG2 4.26Å; L143-T145 HydrophobicContact CD2-CG2 4.3Å; L143-T145 HydrophobicContact CG-CG2 3.98Å; T145-L156 VanDerWaalsContact CA-O 3.32Å; T145-L156 WeakPolarHBondContact CA-O 3.42Å; T145-V157 HydrophobicContact CG2-CG1 4.33Å; T145-V157 HydrophobicContact CG2-CG2 4.02Å; T145-F196 HydrophobicContact CG2-CD2 4.13Å; T145-F196 HydrophobicContact CG2-CE2 4.09Å; T145-H199 HydrophobicContact CG2-CB 4.43Å; T145-H199 WeakPolarHBondContact CG2-ND1 3.14Å; T145-H199 PolarHBondContact OG1-ND1 2.85Å; T145-Y203 PolarHBondContact O-OH 3Å; T145-Y203 VanDerWaalsContact OG1-CE2 3.26Å; T145-Y203 WeakPolarHBondContact OG1-CE2 3.27Å; T145-Y203 PolarHBondContact OG1-OH 3.15Å; T145-C211 WeakPolarHBondContact O-CA 3.36Å; T145-L212 PolarHBondContact N-O 2.97Å; T145-L212 PolarHBondContact O-N 3.25Å; T145-L212 VanDerWaalsContact O-N 3.11Å
146L97Very high85.2Confident4 Ų451.7 Ų51.72%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-140.9116.4-177.7-173.561.7000112.6M120 L124 V148 L156 Y203 R210 C211 M286M120-L146 HydrophobicContact CB-CD2 3.69Å; M120-L146 HydrophobicContact CG-CD2 4.28Å; M120-L146 WeakPolarHBondContact O-CD2 3.34Å; L124-L146 HydrophobicContact CB-CD2 4.24Å; L124-L146 HydrophobicContact CD2-CB 4.07Å; L146-V148 PolarHBondContact O-N 3.48Å; L146-L156 PolarHBondContact N-O 2.91Å; L146-L156 VanDerWaalsContact N-O 3.16Å; L146-L156 PolarHBondContact O-N 3.03Å; L146-Y203 PolarHBondContact N-OH 2.97Å; L146-R210 HydrophobicContact CD1-CG 4.14Å; L146-C211 HydrophobicContact CD1-CB 3.9Å; L146-M286 HydrophobicContact CD1-SD 4.05Å; L146-M286 HydrophobicContact CD2-SD 3.96Å; L146-M286 HydrophobicContact CG-SD 4.44Å
147R95.8Very high85.4Confident2 Ų250.7 Ų50.71%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-66.3118.2176.4-164.1179.9-130.1145.1-1110.2E153 H154 F155 Y203 R206 V209 R210R147-E153 IonicContact CZ-OE1 2.65Å; R147-E153 IonicContact NE-OE1 3.82Å; R147-E153 PolarHBondContact NE-OE1 2.88Å; R147-E153 IonicContact NH2-OE1 3.54Å; R147-E153 PolarHBondContact NH2-OE1 2.97Å; R147-H154 CarbonylContact C-O 3.59Å; R147-F155 HydrophobicContact CB-CD1 3.7Å; R147-F155 HydrophobicContact CB-CE1 3.67Å; R147-F155 HydrophobicContact CG-CD1 3.87Å; R147-F155 HydrophobicContact CG-CE1 3.43Å; R147-F155 VanDerWaalsContact CG-CE1 3.43Å; R147-F155 HydrophobicContact CG-CZ 4.16Å; R147-Y203 HydrophobicContact CB-CE1 4.29Å; R147-Y203 PolarHBondContact NH1-O 3.4Å; R147-Y203 PolarHBondContact NH2-O 2.93Å; R147-R206 PolarHBondContact NH1-O 3.35Å; R147-V209 PolarHBondContact NH1-O 2.89Å; R147-R210 HydrophobicContact CB-CG 4.02Å; R147-R210 WeakPolarHBondContact CB-O 3.37Å; R147-R210 PolarHBondContact N-O 2.85Å; R147-R210 WeakPolarHBondContact O-CG 3.35Å; R147-R210 VanDerWaalsContact O-CZ 3.26Å; R147-R210 PolarHBondContact O-NE 3.37Å; R147-R210 PolarHBondContact O-NH2 3.39Å
148V93Very high86Confident7 Ų750.8 Ų50.84%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-84.2-50.1-179.3-178.10000111V114 E117 M120 L146 H154 L156 K174 R210V114-V148 HydrophobicContact CB-CG1 4.17Å; E117-V148 HydrophobicContact CB-CG1 3.85Å; E117-V148 HydrophobicContact CG-CG1 3.66Å; E117-V148 HydrophobicContact CG-CG2 4.32Å; M120-V148 HydrophobicContact SD-CG1 4.39Å; L146-V148 PolarHBondContact O-N 3.48Å; V148-H154 PolarHBondContact N-O 3.11Å; V148-L156 HydrophobicContact CG2-CD1 3.78Å; V148-L156 HydrophobicContact CG2-CD2 4.24Å; V148-L156 HydrophobicContact CG2-CG 3.53Å; V148-K174 HydrophobicContact CG2-CD 4.43Å; V148-R210 PolarHBondContact O-NH2 2.87Å
149S85.8Confident87.4Confident13 Ų1343.1 Ų43.19%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-121.9137179.1-179.10000110E151 Q152 E153S149-E151 PolarHBondContact OG-N 2.82Å; S149-E151 VanDerWaalsContact OG-N 3.16Å; S149-Q152 PolarHBondContact OG-N 2.92Å; S149-E153 PolarHBondContact O-N 2.88Å
150K83.2Confident88.9Confident108 Ų10839.5 Ų39.547%0.4719%0.19SC..THydrogen-bonded Turntrans-84.9-14.2169.6-65.5-151.6173.7-1550112.8P207 D208K150-P207 PolarHBondContact NZ-O 3.01Å; K150-D208 PolarHBondContact NZ-O 2.93Å
151E84.4Confident90.4Very high186 Ų18641.5 Ų41.587%0.86922%0.216SC*.THydrogen-bonded Turntrans-94.7-28.2-176.9-65.6166.7-172.300112.1S149S149-E151 PolarHBondContact OG-N 2.82Å; S149-E151 VanDerWaalsContact OG-N 3.16Å
152Q85.1Confident91.3Very high104 Ų10437.1 Ų37.149%0.48620%0.196SC..THydrogen-bonded Turntrans-109.7-4.3-179.2-59.6173.5-34.200113.2S149 H154S149-Q152 PolarHBondContact OG-N 2.92Å; Q152-H154 WeakPolarHBondContact CB-ND1 3.39Å; Q152-H154 PolarHBondContact O-CD2 2.89Å; Q152-H154 PolarHBondContact O-N 3.46Å; Q152-H154 PolarHBondContact OE1-CE1 3.02Å; Q152-H154 PolarHBondContact OE1-ND1 2.91Å
153E92.6Very high91.6Very high63 Ų6338.5 Ų38.529%0.29421%0.209SC..THydrogen-bonded Turntrans49.844.3-177.6-55.4-119.87500112.9R147 S149 F155 L177R147-E153 IonicContact CZ-OE1 2.65Å; R147-E153 IonicContact NE-OE1 3.82Å; R147-E153 PolarHBondContact NE-OE1 2.88Å; R147-E153 IonicContact NH2-OE1 3.54Å; R147-E153 PolarHBondContact NH2-OE1 2.97Å; S149-E153 PolarHBondContact O-N 2.88Å; E153-F155 HydrophobicContact CB-CE2 4.25Å; E153-F155 HydrophobicContact CB-CZ 4.49Å; E153-F155 VanDerWaalsContact O-CD2 3.23Å; E153-F155 WeakPolarHBondContact O-CD2 3.35Å; E153-F155 WeakPolarHBondContact O-CE2 3.41Å; E153-L177 HydrophobicContact CB-CB 4.36Å; E153-L177 PolarHBondContact O-N 3.41Å
154H94.6Very high91.6Very high31 Ų3138.9 Ų38.914%0.14421%0.209CC..EExtended strand (participates in β ladder)trans-92.5134176.8-68.4157.3000111R147 V148 Q152 K174 V175R147-H154 CarbonylContact C-O 3.59Å; V148-H154 PolarHBondContact N-O 3.11Å; Q152-H154 WeakPolarHBondContact CB-ND1 3.39Å; Q152-H154 PolarHBondContact O-CD2 2.89Å; Q152-H154 PolarHBondContact O-N 3.46Å; Q152-H154 PolarHBondContact OE1-CE1 3.02Å; Q152-H154 PolarHBondContact OE1-ND1 2.91Å; H154-K174 HydrophobicContact CB-CD 4.28Å; H154-K174 HydrophobicContact CB-CG 4.12Å; H154-V175 CarbonylContact C-O 3.55Å; H154-V175 WeakPolarHBondContact CA-O 3.43Å
155F96.3Very high91.3Very high0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-124.4142.2-176.9-54.2-84.9000110.9R147 E153 K174 V175 L177 F196 Y203R147-F155 HydrophobicContact CB-CD1 3.7Å; R147-F155 HydrophobicContact CB-CE1 3.67Å; R147-F155 HydrophobicContact CG-CD1 3.87Å; R147-F155 HydrophobicContact CG-CE1 3.43Å; R147-F155 VanDerWaalsContact CG-CE1 3.43Å; R147-F155 HydrophobicContact CG-CZ 4.16Å; E153-F155 HydrophobicContact CB-CE2 4.25Å; E153-F155 HydrophobicContact CB-CZ 4.49Å; E153-F155 VanDerWaalsContact O-CD2 3.23Å; E153-F155 WeakPolarHBondContact O-CD2 3.35Å; E153-F155 WeakPolarHBondContact O-CE2 3.41Å; F155-K174 CarbonylContact O-C 3.46Å; F155-K174 WeakPolarHBondContact O-CA 3.26Å; F155-V175 HydrophobicContact CB-CG2 4.13Å; F155-V175 PolarHBondContact N-O 3.4Å; F155-V175 PolarHBondContact O-N 2.81Å; F155-L177 HydrophobicContact CE2-CB 4.13Å; F155-L177 HydrophobicContact CE2-CD1 3.73Å; F155-L177 HydrophobicContact CZ-CD1 3.9Å; F155-F196 HydrophobicContact CB-CE2 4.27Å; F155-F196 HydrophobicContact CB-CZ 4.12Å; F155-F196 AromaticContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CG-CZ 4.06Å; F155-Y203 HydrophobicContact CD1-CD1 4.37Å; F155-Y203 AromaticContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CD2 3.48Å; F155-Y203 VanDerWaalsContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CE1 4.18Å; F155-Y203 AromaticContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CG 4.04Å; F155-Y203 AromaticContact CD1-CZ 3.63Å; F155-Y203 AromaticContact CE1-CD1 3.64Å; F155-Y203 HydrophobicContact CE1-CD1 3.64Å; F155-Y203 AromaticContact CE1-CD2 3.17Å; F155-Y203 HydrophobicContact CE1-CD2 3.17Å; F155-Y203 AromaticContact CE1-CE1 3.87Å; F155-Y203 HydrophobicContact CE1-CE1 3.87Å; F155-Y203 AromaticContact CE1-CE2 3.44Å; F155-Y203 HydrophobicContact CE1-CE2 3.44Å; F155-Y203 VanDerWaalsContact CE1-CE2 3.44Å; F155-Y203 AromaticContact CE1-CG 3.28Å; F155-Y203 HydrophobicContact CE1-CG 3.28Å; F155-Y203 AromaticContact CE1-CZ 3.76Å; F155-Y203 HydrophobicContact CG-CD2 4.27Å; F155-Y203 HydrophobicContact CG-CE2 4.11Å; F155-Y203 HydrophobicContact CZ-CD1 4.45Å; F155-Y203 AromaticContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CE2 4.41Å; F155-Y203 AromaticContact CZ-CG 3.78Å; F155-Y203 HydrophobicContact CZ-CG 3.78Å
156L96.2Very high91Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-88.7135167-66164.1000109.7M120 R121 L124 T145 L146 V148 L172 V173 K174M120-L156 HydrophobicContact CB-CD1 4.19Å; R121-L156 HydrophobicContact CB-CD1 4.39Å; R121-L156 HydrophobicContact CG-CD1 3.57Å; R121-L156 HydrophobicContact CG-CD2 3.83Å; R121-L156 HydrophobicContact CG-CG 4.36Å; L124-L156 HydrophobicContact CD2-CB 3.59Å; T145-L156 VanDerWaalsContact CA-O 3.32Å; T145-L156 WeakPolarHBondContact CA-O 3.42Å; L146-L156 PolarHBondContact N-O 2.91Å; L146-L156 VanDerWaalsContact N-O 3.16Å; L146-L156 PolarHBondContact O-N 3.03Å; V148-L156 HydrophobicContact CG2-CD1 3.78Å; V148-L156 HydrophobicContact CG2-CD2 4.24Å; V148-L156 HydrophobicContact CG2-CG 3.53Å; L156-L172 HydrophobicContact CD2-CB 4.35Å; L156-V173 WeakPolarHBondContact CA-O 3.47Å; L156-K174 HydrophobicContact CD2-CB 4.36Å
157V95.3Very high90.9Very high2 Ų246 Ų461%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-138.6148.8-178.3-168.30000108.9L143 T145 V173 V175 V191 F196L143-V157 HydrophobicContact CD1-CG1 3.91Å; T145-V157 HydrophobicContact CG2-CG1 4.33Å; T145-V157 HydrophobicContact CG2-CG2 4.02Å; V157-V173 PolarHBondContact N-O 3.35Å; V157-V173 PolarHBondContact O-N 3.15Å; V157-V175 HydrophobicContact CG2-CG2 3.58Å; V157-V191 HydrophobicContact CB-CG1 4.36Å; V157-V191 HydrophobicContact CG1-CG1 3.92Å; V157-F196 HydrophobicContact CG2-CD2 3.82Å; V157-F196 HydrophobicContact CG2-CE2 3.74Å
158L93.6Very high90.8Very high22 Ų2246.3 Ų46.312%0.11525%0.25CS..PPolyproline II helixtrans-77.1127.6169.1-172.873.7000109.6L162 Y164 V167 L172L158-L162 HydrophobicContact CD1-CB 4.5Å; L158-L162 HydrophobicContact CD1-CD2 4.03Å; L158-Y164 HydrophobicContact CD2-CD1 3.6Å; L158-Y164 HydrophobicContact CD2-CE1 3.45Å; L158-Y164 VanDerWaalsContact CD2-CE1 3.45Å; L158-V167 HydrophobicContact CD1-CB 4.13Å; L158-V167 HydrophobicContact CD1-CG1 3.6Å; L158-V167 HydrophobicContact CD1-CG2 3.41Å; L158-V167 VanDerWaalsContact CD1-CG2 3.41Å; L158-V167 HydrophobicContact CD2-CG2 4.4Å; L158-L172 HydrophobicContact CD1-CD2 4.35Å
159P92.3Very high90.8Very high2 Ų246 Ų461%0.01325%0.248CC..PPolyproline II helixtrans-69.8153172.730.8-34.7000111.4V173 L189 Q190P159-V173 HydrophobicContact CB-CG2 3.83Å; P159-V173 HydrophobicContact CG-CG2 3.99Å; P159-L189 HydrophobicContact CB-CB 3.69Å; P159-L189 HydrophobicContact CG-CB 4.17Å; P159-L189 HydrophobicContact CG-CD1 4.33Å; P159-Q190 CarbonylContact C-O 3.36Å; P159-Q190 WeakPolarHBondContact CA-O 3.45Å; P159-Q190 WeakPolarHBondContact CB-O 3.37Å
160E89.5Confident91.1Very high102 Ų10246 Ų4648%0.47725%0.248SC..THydrogen-bonded Turntrans-70.6142.8-179.4-175.3157-11600112Q190 K195E160-Q190 PolarHBondContact N-O 2.66Å; E160-K195 IonicContact OE1-NZ 2.62Å; E160-K195 PolarHBondContact OE1-NZ 2.94Å
161G86.6Confident91.6Very high73 Ų7341.1 Ų41.175%0.75323%0.228SC*.THydrogen-bonded Turntrans91.7-7.5-179.600000115.4
162L89.5Confident92.1Very high34 Ų3432.2 Ų32.218%0.17819%0.187CC..  trans-92.9130.6174.2-168.966.1000111L158 E166 S171 L189L158-L162 HydrophobicContact CD1-CB 4.5Å; L158-L162 HydrophobicContact CD1-CD2 4.03Å; L162-E166 HydrophobicContact CD1-CB 3.77Å; L162-E166 HydrophobicContact CG-CB 4.22Å; L162-S171 WeakPolarHBondContact CD2-OG 3.28Å; L162-L189 HydrophobicContact CB-CD1 3.95Å
163A89.1Confident92.5Very high41 Ų4127.4 Ų27.434%0.33916%0.164SC..  trans-74.8150.117900000112S165 E166 V167A163-S165 WeakPolarHBondContact CB-OG 3.23Å; A163-S165 PolarHBondContact O-N 2.95Å; A163-S165 VanDerWaalsContact O-N 3.17Å; A163-E166 HydrophobicContact CB-CG 4.05Å; A163-E166 VanDerWaalsContact CB-OE2 3.31Å; A163-E166 WeakPolarHBondContact CB-OE2 3.26Å; A163-E166 PolarHBondContact N-OE2 3.33Å; A163-E166 WeakPolarHBondContact O-CB 3.32Å; A163-E166 PolarHBondContact O-N 2.97Å; A163-V167 VanDerWaalsContact O-CG2 3.27Å; A163-V167 WeakPolarHBondContact O-CG2 3.19Å; A163-V167 PolarHBondContact O-N 3.44Å
164Y91.3Very high92.6Very high22 Ų2225 Ų259%0.08615%0.152CC..THydrogen-bonded Turntrans-60.6-26175.1-87.345.1000112.5H128 R129 F131 A137 T142 L144 L158 E166H128-Y164 HydrophobicContact CB-CD2 3.96Å; H128-Y164 HydrophobicContact CB-CG 4.14Å; H128-Y164 AromaticContact CE1-CE1 3.92Å; H128-Y164 AromaticContact CE1-CZ 3.69Å; H128-Y164 AromaticContact ND1-CD1 3.64Å; H128-Y164 AromaticContact ND1-CD2 3.46Å; H128-Y164 WeakPolarHBondContact ND1-CD2 3.35Å; H128-Y164 AromaticContact ND1-CE1 3.42Å; H128-Y164 WeakPolarHBondContact ND1-CE1 3.46Å; H128-Y164 AromaticContact ND1-CE2 3.25Å; H128-Y164 WeakPolarHBondContact ND1-CE2 3.21Å; H128-Y164 AromaticContact ND1-CG 3.67Å; H128-Y164 AromaticContact ND1-CZ 3.23Å; H128-Y164 WeakPolarHBondContact O-CD2 3.49Å; R129-Y164 WeakPolarHBondContact CD-O 3.44Å; F131-Y164 HydrophobicContact CB-CD2 3.68Å; F131-Y164 HydrophobicContact CB-CE2 3.86Å; F131-Y164 HydrophobicContact CD1-CE2 4.06Å; F131-Y164 HydrophobicContact CG-CE2 4.26Å; A137-Y164 HydrophobicContact CB-CD1 4.33Å; A137-Y164 HydrophobicContact CB-CD2 3.46Å; A137-Y164 VanDerWaalsContact CB-CD2 3.46Å; A137-Y164 HydrophobicContact CB-CE2 4.08Å; A137-Y164 HydrophobicContact CB-CG 3.59Å; T142-Y164 VanDerWaalsContact C-OH 3.32Å; T142-Y164 PolarHBondContact O-OH 3.25Å; T142-Y164 PolarHBondContact OG1-OH 3.09Å; T142-Y164 VanDerWaalsContact OG1-OH 3.05Å; L144-Y164 HydrophobicContact CD1-CE2 3.91Å; L144-Y164 HydrophobicContact CG-CE2 4.13Å; L158-Y164 HydrophobicContact CD2-CD1 3.6Å; L158-Y164 HydrophobicContact CD2-CE1 3.45Å; L158-Y164 VanDerWaalsContact CD2-CE1 3.45Å; Y164-E166 VanDerWaalsContact C-N 3.28Å; Y164-E166 PolarHBondContact O-N 3.39Å
165S90.3Very high92.6Very high51 Ų5123.5 Ų23.536%0.35715%0.146SC..THydrogen-bonded Turntrans-72.5-10.4172.759.10000114.6R129 D132 A163R129-S165 PolarHBondContact NE-O 3.31Å; R129-S165 PolarHBondContact NH1-O 3.39Å; D132-S165 VanDerWaalsContact OD2-CB 3.25Å; D132-S165 WeakPolarHBondContact OD2-CB 3.35Å; A163-S165 WeakPolarHBondContact CB-OG 3.23Å; A163-S165 PolarHBondContact O-N 2.95Å; A163-S165 VanDerWaalsContact O-N 3.17Å
166E90.7Very high92.6Very high102 Ų10225.1 Ų25.148%0.47715%0.154SC..THydrogen-bonded Turntrans-110.7-21.7-174.5-65174.3132.100113.6R129 L162 A163 Y164R129-E166 VanDerWaalsContact NH2-C 3.28Å; R129-E166 PolarHBondContact NH2-O 3.01Å; L162-E166 HydrophobicContact CD1-CB 3.77Å; L162-E166 HydrophobicContact CG-CB 4.22Å; A163-E166 HydrophobicContact CB-CG 4.05Å; A163-E166 VanDerWaalsContact CB-OE2 3.31Å; A163-E166 WeakPolarHBondContact CB-OE2 3.26Å; A163-E166 PolarHBondContact N-OE2 3.33Å; A163-E166 WeakPolarHBondContact O-CB 3.32Å; A163-E166 PolarHBondContact O-N 2.97Å; Y164-E166 VanDerWaalsContact C-N 3.28Å; Y164-E166 PolarHBondContact O-N 3.39Å
167V92.9Very high92.4Very high0 Ų026.9 Ų26.90%016%0.164CC..  trans-53.9136.1-170.9-163.90000113.8A125 H128 R129 L158 A163 L172A125-V167 HydrophobicContact CB-CG1 3.91Å; H128-V167 HydrophobicContact CB-CB 3.99Å; H128-V167 HydrophobicContact CB-CG1 4.32Å; H128-V167 HydrophobicContact CB-CG2 3.64Å; R129-V167 VanDerWaalsContact CZ-O 3.26Å; R129-V167 PolarHBondContact NE-O 3.2Å; R129-V167 PolarHBondContact NH2-O 2.77Å; L158-V167 HydrophobicContact CD1-CB 4.13Å; L158-V167 HydrophobicContact CD1-CG1 3.6Å; L158-V167 HydrophobicContact CD1-CG2 3.41Å; L158-V167 VanDerWaalsContact CD1-CG2 3.41Å; L158-V167 HydrophobicContact CD2-CG2 4.4Å; A163-V167 VanDerWaalsContact O-CG2 3.27Å; A163-V167 WeakPolarHBondContact O-CG2 3.19Å; A163-V167 PolarHBondContact O-N 3.44Å; V167-L172 HydrophobicContact CG1-CD2 3.98Å; V167-L172 HydrophobicContact CG1-CG 4.23Å
168T93.9Very high92.2Very high9 Ų933 Ų336%0.05520%0.195CC..  trans-128.5175.8173.869.30000111.4T100 D104 A125 S170 S171T100-T168 HydrophobicContact CG2-CG2 3.76Å; D104-T168 VanDerWaalsContact CG-OG1 3.25Å; D104-T168 WeakPolarHBondContact OD1-CB 3.49Å; D104-T168 PolarHBondContact OD1-OG1 3.43Å; D104-T168 WeakPolarHBondContact OD2-CB 3.17Å; D104-T168 PolarHBondContact OD2-OG1 2.82Å; A125-T168 WeakPolarHBondContact CB-O 3.39Å; T168-S170 VanDerWaalsContact C-N 3.32Å; T168-S170 PolarHBondContact OG1-OG 3.16Å; T168-S171 PolarHBondContact N-OG 3.18Å; T168-S171 PolarHBondContact O-N 3.34Å; T168-S171 PolarHBondContact O-OG 3.14Å; T168-S171 PolarHBondContact OG1-N 2.99Å
169G93.1Very high92.1Very high0 Ų032.1 Ų32.10%019%0.192CC..THydrogen-bonded Turntrans-66.1-33.7176.300000113I102 D104 R121I102-G169 PolarHBondContact O-N 2.98Å; D104-G169 PolarHBondContact OD1-N 3.27Å; R121-G169 WeakPolarHBondContact CB-O 3.47Å; R121-G169 WeakPolarHBondContact CD-O 3.32Å; R121-G169 PolarHBondContact NH1-O 2.87Å
170S92.8Very high92.1Very high13 Ų1337.6 Ų37.69%0.09122%0.217CC..THydrogen-bonded Turntrans-77.6-30.1175.982.80000113.2D104 T168 L172 G185 S186D104-S170 WeakPolarHBondContact OD1-CB 3.41Å; D104-S170 PolarHBondContact OD1-N 3.03Å; D104-S170 VanDerWaalsContact OD2-CB 3.27Å; D104-S170 WeakPolarHBondContact OD2-CB 3.35Å; D104-S170 PolarHBondContact OD2-OG 2.84Å; T168-S170 VanDerWaalsContact C-N 3.32Å; T168-S170 PolarHBondContact OG1-OG 3.16Å; S170-L172 VanDerWaalsContact C-N 3.25Å; S170-L172 PolarHBondContact O-N 3.3Å; S170-G185 CarbonylContact O-C 3.54Å; S170-G185 WeakPolarHBondContact O-CA 3.25Å; S170-S186 VanDerWaalsContact C-OG 3.23Å; S170-S186 PolarHBondContact O-N 2.93Å; S170-S186 PolarHBondContact O-OG 2.99Å; S170-S186 VanDerWaalsContact OG-CB 3.26Å; S170-S186 WeakPolarHBondContact OG-CB 3.5Å; S170-S186 PolarHBondContact OG-OG 3.2Å
171S93.4Very high92.3Very high6 Ų635.8 Ų35.84%0.04221%0.213CC..THydrogen-bonded Turntrans-73.1-15.2-174.378.60000114.5L162 T168 S186L162-S171 WeakPolarHBondContact CD2-OG 3.28Å; T168-S171 PolarHBondContact N-OG 3.18Å; T168-S171 PolarHBondContact O-N 3.34Å; T168-S171 PolarHBondContact O-OG 3.14Å; T168-S171 PolarHBondContact OG1-N 2.99Å; S171-S186 WeakPolarHBondContact CA-OG 3.46Å; S171-S186 PolarHBondContact N-OG 3.46Å
172L94.7Very high92.6Very high0 Ų035.8 Ų35.80%020%0.198CC..PPolyproline II helixtrans-73.1134.4178.8-69166.8000111.7R121 L124 A125 L156 L158 V167 S170R121-L172 HydrophobicContact CB-CD1 4.25Å; R121-L172 HydrophobicContact CG-CD1 4.48Å; R121-L172 PolarHBondContact NH1-O 3.17Å; R121-L172 WeakPolarHBondContact O-CD1 3.21Å; L124-L172 HydrophobicContact CB-CD1 3.96Å; L124-L172 HydrophobicContact CD2-CD1 4.02Å; L124-L172 HydrophobicContact CD2-CD2 3.93Å; L124-L172 HydrophobicContact CG-CD1 4.09Å; L124-L172 HydrophobicContact CG-CD2 4.22Å; A125-L172 HydrophobicContact CB-CD1 4.11Å; L156-L172 HydrophobicContact CD2-CB 4.35Å; L158-L172 HydrophobicContact CD1-CD2 4.35Å; V167-L172 HydrophobicContact CG1-CD2 3.98Å; V167-L172 HydrophobicContact CG1-CG 4.23Å; S170-L172 VanDerWaalsContact C-N 3.25Å; S170-L172 PolarHBondContact O-N 3.3Å
173V94.4Very high92.6Very high2 Ų235.9 Ų35.91%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-90.8143.9177.6179.10000109.8L156 V157 P159 V175 V181 E183 V191L156-V173 WeakPolarHBondContact CA-O 3.47Å; V157-V173 PolarHBondContact N-O 3.35Å; V157-V173 PolarHBondContact O-N 3.15Å; P159-V173 HydrophobicContact CB-CG2 3.83Å; P159-V173 HydrophobicContact CG-CG2 3.99Å; V173-V175 HydrophobicContact CG1-CG1 4.11Å; V173-V181 HydrophobicContact CG1-CB 4.28Å; V173-V181 HydrophobicContact CG1-CG1 3.5Å; V173-V181 HydrophobicContact CG1-CG2 3.88Å; V173-E183 WeakPolarHBondContact CG1-O 3.27Å; V173-V191 HydrophobicContact CB-CG2 3.75Å; V173-V191 HydrophobicContact CG1-CG2 3.58Å; V173-V191 HydrophobicContact CG2-CG2 4.1Å
174K94.5Very high92.5Very high12 Ų1239.7 Ų39.75%0.05221%0.207CC..EExtended strand (participates in β ladder)trans-103.3122.3172.5-164.5161.266.3-153.60109.8E117 V148 H154 F155 L156 V182 E183E117-K174 VanDerWaalsContact CD-NZ 3.29Å; E117-K174 WeakPolarHBondContact OE1-CD 3.48Å; E117-K174 IonicContact OE1-NZ 3.79Å; E117-K174 PolarHBondContact OE1-NZ 3.16Å; E117-K174 IonicContact OE2-NZ 2.67Å; E117-K174 PolarHBondContact OE2-NZ 2.83Å; V148-K174 HydrophobicContact CG2-CD 4.43Å; H154-K174 HydrophobicContact CB-CD 4.28Å; H154-K174 HydrophobicContact CB-CG 4.12Å; F155-K174 CarbonylContact O-C 3.46Å; F155-K174 WeakPolarHBondContact O-CA 3.26Å; L156-K174 HydrophobicContact CD2-CB 4.36Å; K174-V182 PolarHBondContact O-N 2.95Å; K174-E183 HydrophobicContact CB-CB 3.94Å; K174-E183 WeakPolarHBondContact CE-OE2 3.49Å; K174-E183 PolarHBondContact N-O 2.84Å; K174-E183 IonicContact NZ-OE2 3.44Å; K174-E183 PolarHBondContact NZ-OE2 2.77Å; K174-E183 PolarHBondContact O-N 3.22Å
175V94.9Very high92.3Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-118.1161.6178.9-56.60000111.7H154 F155 V157 V173 E180 V181 V191 F196H154-V175 CarbonylContact C-O 3.55Å; H154-V175 WeakPolarHBondContact CA-O 3.43Å; F155-V175 HydrophobicContact CB-CG2 4.13Å; F155-V175 PolarHBondContact N-O 3.4Å; F155-V175 PolarHBondContact O-N 2.81Å; V157-V175 HydrophobicContact CG2-CG2 3.58Å; V173-V175 HydrophobicContact CG1-CG1 4.11Å; V175-E180 CarbonylContact C-O 3.54Å; V175-E180 WeakPolarHBondContact CA-O 3.5Å; V175-E180 WeakPolarHBondContact CB-O 3.44Å; V175-V181 HydrophobicContact CG1-CG2 4.23Å; V175-V191 HydrophobicContact CG1-CB 4.42Å; V175-V191 HydrophobicContact CG1-CG1 4.28Å; V175-V191 HydrophobicContact CG1-CG2 4.09Å; V175-F196 HydrophobicContact CG2-CD1 4.48Å; V175-F196 HydrophobicContact CG2-CE1 3.93Å; V175-F196 HydrophobicContact CG2-CE2 4.13Å; V175-F196 HydrophobicContact CG2-CZ 3.74Å
176N94.6Very high92.2Very high34 Ų3440.5 Ų40.518%0.18222%0.218CC..  trans-85.8-177.6166.472.710.3000111.5L178 G179 E180 V182N176-L178 PolarHBondContact O-N 3.25Å; N176-L178 WeakPolarHBondContact OD1-CA 3.29Å; N176-L178 WeakPolarHBondContact OD1-CB 3.47Å; N176-L178 PolarHBondContact OD1-N 2.61Å; N176-G179 PolarHBondContact O-N 2.89Å; N176-G179 PolarHBondContact OD1-N 3.5Å; N176-E180 PolarHBondContact N-O 3.21Å; N176-E180 PolarHBondContact ND2-OE2 3.31Å; N176-E180 PolarHBondContact OD1-N 3.16Å; N176-V182 HydrophobicContact CB-CG2 4.02Å
177L92.9Very high91.9Very high37 Ų3736.6 Ų36.619%0.19420%0.202CC..THydrogen-bonded Turntrans-62.2-22.4179.3-171.664.5000114.1E153 F155 G179 S200E153-L177 HydrophobicContact CB-CB 4.36Å; E153-L177 PolarHBondContact O-N 3.41Å; F155-L177 HydrophobicContact CE2-CB 4.13Å; F155-L177 HydrophobicContact CE2-CD1 3.73Å; F155-L177 HydrophobicContact CZ-CD1 3.9Å; L177-G179 VanDerWaalsContact C-N 3.34Å; L177-S200 VanDerWaalsContact O-CB 3.3Å; L177-S200 WeakPolarHBondContact O-CB 3.05Å; L177-S200 PolarHBondContact O-OG 3.36Å
178L91.1Very high91.6Very high130 Ų13043.9 Ų43.968%0.68124%0.241SC*.THydrogen-bonded Turntrans-86.5-4.4176.7-56.3178.9000112.9N176 E180N176-L178 PolarHBondContact O-N 3.25Å; N176-L178 WeakPolarHBondContact OD1-CA 3.29Å; N176-L178 WeakPolarHBondContact OD1-CB 3.47Å; N176-L178 PolarHBondContact OD1-N 2.61Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 HydrophobicContact CB-CG 4.25Å
179G91Very high91.4Very high4 Ų446.8 Ų46.84%0.04126%0.255CS..  trans86.2-1.1-175.100000114.4N176 L177N176-G179 PolarHBondContact O-N 2.89Å; N176-G179 PolarHBondContact OD1-N 3.5Å; L177-G179 VanDerWaalsContact C-N 3.34Å
180E93.1Very high91.3Very high118 Ų11854.6 Ų54.655%0.55129%0.292SS*.  trans-67.9136.6177.7-55.8175.1120.300110.7V175 N176 L178 V182V175-E180 CarbonylContact C-O 3.54Å; V175-E180 WeakPolarHBondContact CA-O 3.5Å; V175-E180 WeakPolarHBondContact CB-O 3.44Å; N176-E180 PolarHBondContact N-O 3.21Å; N176-E180 PolarHBondContact ND2-OE2 3.31Å; N176-E180 PolarHBondContact OD1-N 3.16Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 HydrophobicContact CB-CG 4.25Å; E180-V182 PolarHBondContact O-N 3.37Å
181V94Very high91.2Very high64 Ų6454.8 Ų54.839%0.38829%0.293SS..EExtended strand (participates in β ladder)trans-77112-175.4-179.20000111.6V173 V175 K184 V191V173-V181 HydrophobicContact CG1-CB 4.28Å; V173-V181 HydrophobicContact CG1-CG1 3.5Å; V173-V181 HydrophobicContact CG1-CG2 3.88Å; V175-V181 HydrophobicContact CG1-CG2 4.23Å; V181-K184 HydrophobicContact CG1-CG 3.67Å; V181-V191 HydrophobicContact CG2-CG2 4.23Å
182V92.2Very high91Very high72 Ų7256.3 Ų56.344%0.43630%0.3SS..EExtended strand (participates in β ladder)trans-83.2-33.9174.6179.80000111K174 N176 E180K174-V182 PolarHBondContact O-N 2.95Å; N176-V182 HydrophobicContact CB-CG2 4.02Å; E180-V182 PolarHBondContact O-N 3.37Å
183E90.3Very high90.7Very high36 Ų3659.6 Ų59.617%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-154.5125.1179.3-169.5-146.910400110.6W108 R121 V173 K174 G185W108-E183 HydrophobicContact CH2-CG 4.35Å; W108-E183 VanDerWaalsContact CH2-OE1 3.3Å; W108-E183 WeakPolarHBondContact CH2-OE1 3.46Å; W108-E183 HydrophobicContact CZ2-CG 4.16Å; W108-E183 VanDerWaalsContact CZ2-OE1 3.29Å; W108-E183 WeakPolarHBondContact CZ2-OE1 3.42Å; R121-E183 IonicContact CZ-OE1 3.95Å; R121-E183 IonicContact NH1-OE1 3.44Å; R121-E183 VanDerWaalsContact NH2-CD 3.31Å; R121-E183 IonicContact NH2-OE1 2.6Å; R121-E183 PolarHBondContact NH2-OE1 3.36Å; R121-E183 IonicContact NH2-OE2 3.83Å; R121-E183 PolarHBondContact NH2-OE2 2.84Å; V173-E183 WeakPolarHBondContact CG1-O 3.27Å; K174-E183 HydrophobicContact CB-CB 3.94Å; K174-E183 WeakPolarHBondContact CE-OE2 3.49Å; K174-E183 PolarHBondContact N-O 2.84Å; K174-E183 IonicContact NZ-OE2 3.44Å; K174-E183 PolarHBondContact NZ-OE2 2.77Å; K174-E183 PolarHBondContact O-N 3.22Å; E183-G185 VanDerWaalsContact C-N 3.31Å; E183-G185 PolarHBondContact O-N 3.42Å
184K86.3Confident90.4Very high122 Ų12265.3 Ų65.353%0.5335%0.351SS..  trans-78.3-5.4-172.9-70.3-176.8175.6-171.20115.5V181V181-K184 HydrophobicContact CG1-CG 3.67Å
185G86.6Confident90Very high18 Ų1867.7 Ų67.719%0.18636%0.361CS..THydrogen-bonded Turntrans61.1-138.7-168.600000111.1S170 E183S170-G185 CarbonylContact O-C 3.54Å; S170-G185 WeakPolarHBondContact O-CA 3.25Å; E183-G185 VanDerWaalsContact C-N 3.31Å; E183-G185 PolarHBondContact O-N 3.42Å
186S87.6Confident89.9Confident71 Ų7167.7 Ų67.750%0.49736%0.361SS..THydrogen-bonded Turntrans-95.6-2177.260.60000115S170 S171S170-S186 VanDerWaalsContact C-OG 3.23Å; S170-S186 PolarHBondContact O-N 2.93Å; S170-S186 PolarHBondContact O-OG 2.99Å; S170-S186 VanDerWaalsContact OG-CB 3.26Å; S170-S186 WeakPolarHBondContact OG-CB 3.5Å; S170-S186 PolarHBondContact OG-OG 3.2Å; S171-S186 WeakPolarHBondContact CA-OG 3.46Å; S171-S186 PolarHBondContact N-OG 3.46Å
187T85.3Confident89.7Confident21 Ų2167.4 Ų67.413%0.12936%0.362CS..  trans-103.3154.7-176.571.60000112.4
188N86.8Confident89.7Confident153 Ų15365.9 Ų65.982%0.81835%0.354SS*.  trans-100.59.9169.5-69.7-54.7000112.6
189L89.6Confident89.9Confident70 Ų7059.7 Ų59.737%0.36632%0.321SS..  trans-73.4158.6177.6-64172.5000110.3P159 L162P159-L189 HydrophobicContact CB-CB 3.69Å; P159-L189 HydrophobicContact CG-CB 4.17Å; P159-L189 HydrophobicContact CG-CD1 4.33Å; L162-L189 HydrophobicContact CB-CD1 3.95Å
190Q90.1Very high90Very high163 Ų16359.8 Ų59.876%0.76232%0.321SS*.  trans-97.3166178.9-58.2-158.323.900111.3P159 E160P159-Q190 CarbonylContact C-O 3.36Å; P159-Q190 WeakPolarHBondContact CA-O 3.45Å; P159-Q190 WeakPolarHBondContact CB-O 3.37Å; E160-Q190 PolarHBondContact N-O 2.66Å
191V90.7Very high90.1Very high18 Ų1854.3 Ų54.311%0.10930%0.297CS..  trans-104.6132.2173.11780000107.8V157 V173 V175 V181 T193V157-V191 HydrophobicContact CB-CG1 4.36Å; V157-V191 HydrophobicContact CG1-CG1 3.92Å; V173-V191 HydrophobicContact CB-CG2 3.75Å; V173-V191 HydrophobicContact CG1-CG2 3.58Å; V173-V191 HydrophobicContact CG2-CG2 4.1Å; V175-V191 HydrophobicContact CG1-CB 4.42Å; V175-V191 HydrophobicContact CG1-CG1 4.28Å; V175-V191 HydrophobicContact CG1-CG2 4.09Å; V181-V191 HydrophobicContact CG2-CG2 4.23Å; V191-T193 PolarHBondContact O-N 2.96Å
192D89.2Confident90.1Very high37 Ų3751.3 Ų51.320%0.19828%0.278CS..  trans-71.8112.8170.3-176.1-43.3000109.4D194 K195 F196D192-D194 VanDerWaalsContact C-N 3.31Å; D192-D194 WeakPolarHBondContact OD1-CA 3.36Å; D192-D194 WeakPolarHBondContact OD1-CB 3.43Å; D192-D194 PolarHBondContact OD1-N 3.46Å; D192-K195 HydrophobicContact CB-CB 4.13Å; D192-K195 HydrophobicContact CB-CD 3.97Å; D192-K195 HydrophobicContact CB-CG 4.18Å; D192-K195 VanDerWaalsContact CG-CG 3.48Å; D192-K195 WeakPolarHBondContact OD1-CB 3.49Å; D192-K195 PolarHBondContact OD1-N 3.42Å; D192-K195 WeakPolarHBondContact OD2-CD 3.49Å; D192-K195 WeakPolarHBondContact OD2-CE 3.26Å; D192-K195 WeakPolarHBondContact OD2-CG 3.38Å; D192-K195 IonicContact OD2-NZ 3.58Å; D192-K195 PolarHBondContact OD2-NZ 3.16Å; D192-F196 WeakPolarHBondContact O-CB 3.34Å; D192-F196 PolarHBondContact O-N 2.87Å
193T89.4Confident90.2Very high69 Ų6947.9 Ų47.942%0.42326%0.257SS..Hα-helixtrans-68.8-29.2179.542.40000113.1V191 F196 S197V191-T193 PolarHBondContact O-N 2.96Å; T193-F196 CarbonylContact O-C 3.52Å; T193-F196 PolarHBondContact O-N 2.86Å; T193-S197 PolarHBondContact O-N 3.35Å
194D87.1Confident90.4Very high122 Ų12248.7 Ų48.765%0.65227%0.267SS*.Hα-helixtrans-86.7-43.7-165.5-54-4.3000108.6D192 F196 S197D192-D194 VanDerWaalsContact C-N 3.31Å; D192-D194 WeakPolarHBondContact OD1-CA 3.36Å; D192-D194 WeakPolarHBondContact OD1-CB 3.43Å; D192-D194 PolarHBondContact OD1-N 3.46Å; D194-F196 PolarHBondContact O-N 3.43Å; D194-S197 WeakPolarHBondContact O-CB 3.1Å; D194-S197 PolarHBondContact O-N 3.25Å
195K87.1Confident90.7Very high62 Ų6243.7 Ų43.727%0.2725%0.249SC..Hα-helixtrans-54.8-40.5162.5-68.6-179.9-177.292.80111L143 E160 D192L143-K195 HydrophobicContact CD2-CB 4.42Å; L143-K195 WeakPolarHBondContact CD2-O 3.23Å; E160-K195 IonicContact OE1-NZ 2.62Å; E160-K195 PolarHBondContact OE1-NZ 2.94Å; D192-K195 HydrophobicContact CB-CB 4.13Å; D192-K195 HydrophobicContact CB-CD 3.97Å; D192-K195 HydrophobicContact CB-CG 4.18Å; D192-K195 VanDerWaalsContact CG-CG 3.48Å; D192-K195 WeakPolarHBondContact OD1-CB 3.49Å; D192-K195 PolarHBondContact OD1-N 3.42Å; D192-K195 WeakPolarHBondContact OD2-CD 3.49Å; D192-K195 WeakPolarHBondContact OD2-CE 3.26Å; D192-K195 WeakPolarHBondContact OD2-CG 3.38Å; D192-K195 IonicContact OD2-NZ 3.58Å; D192-K195 PolarHBondContact OD2-NZ 3.16Å
196F92.1Very high91Very high1 Ų143.5 Ų43.50%0.00424%0.242CC..Hα-helixtrans-73.8-24.9178.4-175.4-108.2000113.9T145 F155 V157 V175 D192 T193 D194 L198 H199 S200T145-F196 HydrophobicContact CG2-CD2 4.13Å; T145-F196 HydrophobicContact CG2-CE2 4.09Å; F155-F196 HydrophobicContact CB-CE2 4.27Å; F155-F196 HydrophobicContact CB-CZ 4.12Å; F155-F196 AromaticContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CG-CZ 4.06Å; V157-F196 HydrophobicContact CG2-CD2 3.82Å; V157-F196 HydrophobicContact CG2-CE2 3.74Å; V175-F196 HydrophobicContact CG2-CD1 4.48Å; V175-F196 HydrophobicContact CG2-CE1 3.93Å; V175-F196 HydrophobicContact CG2-CE2 4.13Å; V175-F196 HydrophobicContact CG2-CZ 3.74Å; D192-F196 WeakPolarHBondContact O-CB 3.34Å; D192-F196 PolarHBondContact O-N 2.87Å; T193-F196 CarbonylContact O-C 3.52Å; T193-F196 PolarHBondContact O-N 2.86Å; D194-F196 PolarHBondContact O-N 3.43Å; F196-L198 VanDerWaalsContact C-N 3.32Å; F196-L198 PolarHBondContact O-N 2.59Å; F196-H199 HydrophobicContact CD2-CB 4.14Å; F196-H199 HydrophobicContact CE2-CB 4.26Å; F196-H199 CarbonylContact O-C 3.59Å; F196-H199 WeakPolarHBondContact O-CA 3.27Å; F196-H199 WeakPolarHBondContact O-CB 3.33Å; F196-H199 PolarHBondContact O-N 3.44Å; F196-S200 PolarHBondContact O-N 2.98Å
197S92Very high91.2Very high28 Ų2844 Ų4420%0.19624%0.244CC..Hα-helixtrans-56.7-41.2-175.4-1720000113.2T193 D194 H199 S200 A201 V252T193-S197 PolarHBondContact O-N 3.35Å; D194-S197 WeakPolarHBondContact O-CB 3.1Å; D194-S197 PolarHBondContact O-N 3.25Å; S197-H199 PolarHBondContact O-N 3.42Å; S197-S200 WeakPolarHBondContact O-CB 3.31Å; S197-S200 PolarHBondContact O-N 2.92Å; S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 3.4Å; S197-V252 PolarHBondContact OG-O 3.3Å
198L92.2Very high91.6Very high4 Ų446 Ų462%0.02125%0.254CS..Hα-helixtrans-58.6-45.2172.516965.5000112F196 A201 I202 Y248 V252 L261 L274F196-L198 VanDerWaalsContact C-N 3.32Å; F196-L198 PolarHBondContact O-N 2.59Å; L198-A201 PolarHBondContact O-N 2.95Å; L198-I202 HydrophobicContact CD1-CD1 3.97Å; L198-I202 HydrophobicContact CD1-CG1 4.42Å; L198-I202 HydrophobicContact CG-CD1 4.22Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.37Å; L198-Y248 HydrophobicContact CD1-CE2 4.1Å; L198-Y248 HydrophobicContact CD2-CE2 4.12Å; L198-V252 HydrophobicContact CB-CG2 4.45Å; L198-V252 HydrophobicContact CD1-CG2 4Å; L198-L261 HydrophobicContact CD1-CD2 4.42Å; L198-L274 HydrophobicContact CD1-CD1 4.49Å; L198-L274 HydrophobicContact CD2-CD1 3.66Å
199H94.6Very high92Very high0 Ų038.8 Ų38.80%022%0.216CC..Hα-helixtrans-69.2-39.4179.3-80.2-137000111.4L143 T145 F196 S197 I202 Y203 L212L143-H199 HydrophobicContact CD2-CB 4.38Å; L143-H199 PolarHBondContact O-CE1 3.25Å; L143-H199 VanDerWaalsContact O-CE1 3.25Å; T145-H199 HydrophobicContact CG2-CB 4.43Å; T145-H199 WeakPolarHBondContact CG2-ND1 3.14Å; T145-H199 PolarHBondContact OG1-ND1 2.85Å; F196-H199 HydrophobicContact CD2-CB 4.14Å; F196-H199 HydrophobicContact CE2-CB 4.26Å; F196-H199 CarbonylContact O-C 3.59Å; F196-H199 WeakPolarHBondContact O-CA 3.27Å; F196-H199 WeakPolarHBondContact O-CB 3.33Å; F196-H199 PolarHBondContact O-N 3.44Å; S197-H199 PolarHBondContact O-N 3.42Å; H199-I202 PolarHBondContact O-N 3.38Å; H199-Y203 HydrophobicContact CB-CE2 4.47Å; H199-Y203 WeakPolarHBondContact O-CB 3.45Å; H199-Y203 WeakPolarHBondContact O-CD2 3.44Å; H199-Y203 PolarHBondContact O-N 3.35Å; H199-L212 HydrophobicContact CB-CD1 3.84Å; H199-L212 WeakPolarHBondContact ND1-CB 3.3Å
200S94.3Very high92.2Very high6 Ų638.2 Ų38.24%0.04221%0.208CC..Hα-helixtrans-54.9-52.4170.1170.20000111.2L177 F196 S197 I202 Y203 S204 R258L177-S200 VanDerWaalsContact O-CB 3.3Å; L177-S200 WeakPolarHBondContact O-CB 3.05Å; L177-S200 PolarHBondContact O-OG 3.36Å; F196-S200 PolarHBondContact O-N 2.98Å; S197-S200 WeakPolarHBondContact O-CB 3.31Å; S197-S200 PolarHBondContact O-N 2.92Å; S200-I202 PolarHBondContact O-N 2.95Å; S200-Y203 PolarHBondContact O-N 3.5Å; S200-Y203 VanDerWaalsContact O-N 3.11Å; S200-S204 PolarHBondContact O-N 3.24Å; S200-S204 PolarHBondContact O-OG 2.76Å; S200-S204 VanDerWaalsContact O-OG 3.11Å; S200-R258 PolarHBondContact OG-NH2 2.83Å
201A93.8Very high92.5Very high4 Ų430.5 Ų30.53%0.03317%0.172CC..Hα-helixtrans-58.8-43.2178.900000112.8S197 L198 S204 A205 V252 R258 L261S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 3.4Å; L198-A201 PolarHBondContact O-N 2.95Å; A201-S204 PolarHBondContact O-N 2.91Å; A201-A205 WeakPolarHBondContact O-CB 3.47Å; A201-A205 PolarHBondContact O-N 2.96Å; A201-V252 HydrophobicContact CB-CG1 3.89Å; A201-R258 HydrophobicContact CB-CG 4.09Å; A201-L261 HydrophobicContact CB-CD2 3.74Å
202I94.9Very high92.8Very high0 Ų029.6 Ų29.60%017%0.167CC..Hα-helixtrans-64.1-42.3175-65.8169.7000111.2L198 H199 S200 A205 R206 L212 L261 L265 L272 V280 L282L198-I202 HydrophobicContact CD1-CD1 3.97Å; L198-I202 HydrophobicContact CD1-CG1 4.42Å; L198-I202 HydrophobicContact CG-CD1 4.22Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.37Å; H199-I202 PolarHBondContact O-N 3.38Å; S200-I202 PolarHBondContact O-N 2.95Å; I202-A205 PolarHBondContact O-N 2.75Å; I202-R206 WeakPolarHBondContact O-CB 3.49Å; I202-R206 PolarHBondContact O-N 3.28Å; I202-L212 HydrophobicContact CB-CD1 3.96Å; I202-L212 HydrophobicContact CG2-CD1 3.87Å; I202-L212 HydrophobicContact CG2-CD2 3.61Å; I202-L212 HydrophobicContact CG2-CG 4.41Å; I202-L261 HydrophobicContact CG1-CD2 4.09Å; I202-L265 HydrophobicContact CG2-CD2 4.07Å; I202-L272 HydrophobicContact CD1-CD2 4.13Å; I202-V280 HydrophobicContact CD1-CG1 4.22Å; I202-L282 HydrophobicContact CG2-CD2 3.47Å; I202-L282 VanDerWaalsContact CG2-CD2 3.47Å; I202-L282 HydrophobicContact CG2-CG 4.4Å
203Y95.2Very high93.2Very high0 Ų027.9 Ų27.90%016%0.158CC..Hα-helixtrans-67.1-34.7178.2-77.7-52.1000113.3T145 L146 R147 F155 H199 S200 R206 V209 R210 L212T145-Y203 PolarHBondContact O-OH 3Å; T145-Y203 VanDerWaalsContact OG1-CE2 3.26Å; T145-Y203 WeakPolarHBondContact OG1-CE2 3.27Å; T145-Y203 PolarHBondContact OG1-OH 3.15Å; L146-Y203 PolarHBondContact N-OH 2.97Å; R147-Y203 HydrophobicContact CB-CE1 4.29Å; R147-Y203 PolarHBondContact NH1-O 3.4Å; R147-Y203 PolarHBondContact NH2-O 2.93Å; F155-Y203 HydrophobicContact CD1-CD1 4.37Å; F155-Y203 AromaticContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CD2 3.48Å; F155-Y203 VanDerWaalsContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CE1 4.18Å; F155-Y203 AromaticContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CG 4.04Å; F155-Y203 AromaticContact CD1-CZ 3.63Å; F155-Y203 AromaticContact CE1-CD1 3.64Å; F155-Y203 HydrophobicContact CE1-CD1 3.64Å; F155-Y203 AromaticContact CE1-CD2 3.17Å; F155-Y203 HydrophobicContact CE1-CD2 3.17Å; F155-Y203 AromaticContact CE1-CE1 3.87Å; F155-Y203 HydrophobicContact CE1-CE1 3.87Å; F155-Y203 AromaticContact CE1-CE2 3.44Å; F155-Y203 HydrophobicContact CE1-CE2 3.44Å; F155-Y203 VanDerWaalsContact CE1-CE2 3.44Å; F155-Y203 AromaticContact CE1-CG 3.28Å; F155-Y203 HydrophobicContact CE1-CG 3.28Å; F155-Y203 AromaticContact CE1-CZ 3.76Å; F155-Y203 HydrophobicContact CG-CD2 4.27Å; F155-Y203 HydrophobicContact CG-CE2 4.11Å; F155-Y203 HydrophobicContact CZ-CD1 4.45Å; F155-Y203 AromaticContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CE2 4.41Å; F155-Y203 AromaticContact CZ-CG 3.78Å; F155-Y203 HydrophobicContact CZ-CG 3.78Å; H199-Y203 HydrophobicContact CB-CE2 4.47Å; H199-Y203 WeakPolarHBondContact O-CB 3.45Å; H199-Y203 WeakPolarHBondContact O-CD2 3.44Å; H199-Y203 PolarHBondContact O-N 3.35Å; S200-Y203 PolarHBondContact O-N 3.5Å; S200-Y203 VanDerWaalsContact O-N 3.11Å; Y203-R206 CarbonylContact O-C 3.59Å; Y203-V209 HydrophobicContact CE1-CG1 4.3Å; Y203-R210 WeakPolarHBondContact CE1-O 3.2Å; Y203-R210 PolarHBondContact OH-O 2.7Å; Y203-L212 HydrophobicContact CD1-CD1 4.08Å; Y203-L212 HydrophobicContact CD1-CG 4.36Å; Y203-L212 HydrophobicContact CD2-CD1 3.82Å; Y203-L212 HydrophobicContact CE1-CD1 3.91Å; Y203-L212 HydrophobicContact CE1-CG 3.81Å; Y203-L212 HydrophobicContact CE2-CD1 3.63Å; Y203-L212 HydrophobicContact CE2-CG 4.17Å; Y203-L212 HydrophobicContact CG-CD1 4.06Å
204S92.8Very high93.4Very high54 Ų5424.9 Ų24.938%0.37814%0.139SC..Hα-helixtrans-63.9-45.7170.1-56.90000111.3S200 A201 R206S200-S204 PolarHBondContact O-N 3.24Å; S200-S204 PolarHBondContact O-OG 2.76Å; S200-S204 VanDerWaalsContact O-OG 3.11Å; A201-S204 PolarHBondContact O-N 2.91Å; S204-R206 VanDerWaalsContact C-N 3.3Å; S204-R206 PolarHBondContact O-N 3.35Å
205A93.1Very high93.7Very high17 Ų1719.1 Ų19.114%0.1411%0.108CC..Hα-helixtrans-66.9-29.417900000113.2A201 I202 Q262A201-A205 WeakPolarHBondContact O-CB 3.47Å; A201-A205 PolarHBondContact O-N 2.96Å; I202-A205 PolarHBondContact O-N 2.75Å; A205-Q262 HydrophobicContact CB-CB 3.94Å; A205-Q262 HydrophobicContact CB-CG 3.94Å
206R93Very high93.9Very high13 Ų1317.9 Ų17.95%0.04910%0.103CC..  trans-131.884.5-175.1-66.3-66.5-67.7-81.1-15112.9R147 I202 Y203 S204 D208 V209 L265 G266 C269R147-R206 PolarHBondContact NH1-O 3.35Å; I202-R206 WeakPolarHBondContact O-CB 3.49Å; I202-R206 PolarHBondContact O-N 3.28Å; Y203-R206 CarbonylContact O-C 3.59Å; S204-R206 VanDerWaalsContact C-N 3.3Å; S204-R206 PolarHBondContact O-N 3.35Å; R206-D208 WeakPolarHBondContact CA-OD1 3.39Å; R206-D208 WeakPolarHBondContact CB-OD1 3.41Å; R206-D208 IonicContact CZ-OD1 3.31Å; R206-D208 IonicContact CZ-OD2 3.7Å; R206-D208 IonicContact NE-OD1 2.74Å; R206-D208 PolarHBondContact NE-OD1 2.91Å; R206-D208 IonicContact NE-OD2 2.77Å; R206-D208 PolarHBondContact NE-OD2 3.46Å; R206-D208 IonicContact NH2-OD1 2.95Å; R206-D208 IonicContact NH2-OD2 3.34Å; R206-D208 PolarHBondContact NH2-OD2 3.17Å; R206-D208 PolarHBondContact O-N 3.39Å; R206-V209 HydrophobicContact CB-CB 4.06Å; R206-V209 HydrophobicContact CB-CG2 3.74Å; R206-V209 HydrophobicContact CG-CG2 4.42Å; R206-V209 PolarHBondContact O-N 3.24Å; R206-L265 HydrophobicContact CG-CD2 3.69Å; R206-L265 HydrophobicContact CG-CG 4.41Å; R206-G266 WeakPolarHBondContact CD-O 3.48Å; R206-G266 PolarHBondContact NH1-O 2.95Å; R206-C269 PolarHBondContact NH1-O 2.76Å
207P92.8Very high93.9Very high82 Ų8218.2 Ų18.253%0.53211%0.105SC..SBendtrans-66.4-16.3173.4-23.235.5000114.6K150K150-P207 PolarHBondContact NZ-O 3.01Å
208D92.4Very high93.9Very high62 Ų6222.4 Ų22.433%0.33213%0.132SC..SBendtrans-69-43.7172.459.4-55.6000111.6K150 R206K150-D208 PolarHBondContact NZ-O 2.93Å; R206-D208 WeakPolarHBondContact CA-OD1 3.39Å; R206-D208 WeakPolarHBondContact CB-OD1 3.41Å; R206-D208 IonicContact CZ-OD1 3.31Å; R206-D208 IonicContact CZ-OD2 3.7Å; R206-D208 IonicContact NE-OD1 2.74Å; R206-D208 PolarHBondContact NE-OD1 2.91Å; R206-D208 IonicContact NE-OD2 2.77Å; R206-D208 PolarHBondContact NE-OD2 3.46Å; R206-D208 IonicContact NH2-OD1 2.95Å; R206-D208 IonicContact NH2-OD2 3.34Å; R206-D208 PolarHBondContact NH2-OD2 3.17Å; R206-D208 PolarHBondContact O-N 3.39Å
209V95.1Very high94Very high3 Ų322.9 Ų22.92%0.01814%0.136CC..  trans-65143.9-176.6174.60000111.8R147 Y203 R206 C211 L212 L282R147-V209 PolarHBondContact NH1-O 2.89Å; Y203-V209 HydrophobicContact CE1-CG1 4.3Å; R206-V209 HydrophobicContact CB-CB 4.06Å; R206-V209 HydrophobicContact CB-CG2 3.74Å; R206-V209 HydrophobicContact CG-CG2 4.42Å; R206-V209 PolarHBondContact O-N 3.24Å; V209-C211 WeakPolarHBondContact CG1-O 3.42Å; V209-L212 HydrophobicContact CG1-CD2 3.72Å; V209-L212 HydrophobicContact CG1-CG 4.37Å; V209-L282 HydrophobicContact CG1-CB 4.03Å; V209-L282 HydrophobicContact CG1-CD2 4.44Å; V209-L282 HydrophobicContact CG2-CB 4.03Å; V209-L282 HydrophobicContact CG2-CD2 4.09Å
210R95.1Very high94Very high58 Ų5822.9 Ų22.922%0.21914%0.136CC..  trans-121.8-42.7-178-159.9-176.2-176.4109.621.9112.7M120 L146 R147 V148 Y203 G283 E284M120-R210 VanDerWaalsContact CE-NH2 3.29Å; M120-R210 PolarHBondContact SD-NH2 3.46Å; L146-R210 HydrophobicContact CD1-CG 4.14Å; R147-R210 HydrophobicContact CB-CG 4.02Å; R147-R210 WeakPolarHBondContact CB-O 3.37Å; R147-R210 PolarHBondContact N-O 2.85Å; R147-R210 WeakPolarHBondContact O-CG 3.35Å; R147-R210 VanDerWaalsContact O-CZ 3.26Å; R147-R210 PolarHBondContact O-NE 3.37Å; R147-R210 PolarHBondContact O-NH2 3.39Å; V148-R210 PolarHBondContact O-NH2 2.87Å; Y203-R210 WeakPolarHBondContact CE1-O 3.2Å; Y203-R210 PolarHBondContact OH-O 2.7Å; R210-G283 PolarHBondContact N-O 3.42Å; R210-E284 WeakPolarHBondContact CB-O 3.37Å
211C96.4Very high93.9Very high0 Ų024.1 Ų24.10%015%0.147CC..EExtended strand (participates in β ladder)trans-113.2138.8179.2-174.30000110.8T145 L146 V209 G283 M286 A289T145-C211 WeakPolarHBondContact O-CA 3.36Å; L146-C211 HydrophobicContact CD1-CB 3.9Å; V209-C211 WeakPolarHBondContact CG1-O 3.42Å; C211-G283 PolarHBondContact N-O 3.39Å; C211-G283 PolarHBondContact O-N 3Å; C211-M286 HydrophobicContact CB-SD 4.34Å; C211-M286 PolarHBondContact SG-SD 2.98Å; C211-A289 HydrophobicContact CB-CB 3.79Å
212L97.2Very high94Very high0 Ų025.8 Ų25.80%016%0.16CC..EExtended strand (participates in β ladder)trans-125.2128.5169.3-60.9176.5000108.5L144 T145 H199 I202 Y203 V209 V280 A281 L282L144-L212 WeakPolarHBondContact CA-O 2.96Å; T145-L212 PolarHBondContact N-O 2.97Å; T145-L212 PolarHBondContact O-N 3.25Å; T145-L212 VanDerWaalsContact O-N 3.11Å; H199-L212 HydrophobicContact CB-CD1 3.84Å; H199-L212 WeakPolarHBondContact ND1-CB 3.3Å; I202-L212 HydrophobicContact CB-CD1 3.96Å; I202-L212 HydrophobicContact CG2-CD1 3.87Å; I202-L212 HydrophobicContact CG2-CD2 3.61Å; I202-L212 HydrophobicContact CG2-CG 4.41Å; Y203-L212 HydrophobicContact CD1-CD1 4.08Å; Y203-L212 HydrophobicContact CD1-CG 4.36Å; Y203-L212 HydrophobicContact CD2-CD1 3.82Å; Y203-L212 HydrophobicContact CE1-CD1 3.91Å; Y203-L212 HydrophobicContact CE1-CG 3.81Å; Y203-L212 HydrophobicContact CE2-CD1 3.63Å; Y203-L212 HydrophobicContact CE2-CG 4.17Å; Y203-L212 HydrophobicContact CG-CD1 4.06Å; V209-L212 HydrophobicContact CG1-CD2 3.72Å; V209-L212 HydrophobicContact CG1-CG 4.37Å; L212-V280 HydrophobicContact CB-CG1 4.4Å; L212-V280 HydrophobicContact CD2-CG1 4.29Å; L212-A281 WeakPolarHBondContact CA-O 3.23Å; L212-L282 HydrophobicContact CD2-CB 4.11Å; L212-L282 HydrophobicContact CD2-CD2 3.89Å; L212-L282 HydrophobicContact CD2-CG 3.6Å
213L96.4Very high94Very high0 Ų025.8 Ų25.80%016%0.16CC..EExtended strand (participates in β ladder)trans-124.2112.4176-53.9178.5000109T127 F131 L144 V280 A281 M286 A289 F290 I293T127-L213 HydrophobicContact CG2-CD2 4.34Å; F131-L213 HydrophobicContact CZ-CB 4.26Å; F131-L213 HydrophobicContact CZ-CD1 4.39Å; L144-L213 HydrophobicContact CB-CD2 3.82Å; L144-L213 HydrophobicContact CD1-CD2 4.22Å; L144-L213 HydrophobicContact CD2-CB 4.08Å; L144-L213 HydrophobicContact CD2-CD2 3.77Å; L144-L213 HydrophobicContact CG-CD2 4.12Å; L213-V280 WeakPolarHBondContact O-CA 3.46Å; L213-A281 PolarHBondContact N-O 3.29Å; L213-A281 PolarHBondContact O-N 3.22Å; L213-M286 HydrophobicContact CD2-CE 3.71Å; L213-A289 HydrophobicContact CD1-CB 3.92Å; L213-A289 HydrophobicContact CG-CB 4.05Å; L213-F290 HydrophobicContact CD1-CB 4.18Å; L213-F290 HydrophobicContact CD1-CD2 4.41Å; L213-I293 HydrophobicContact CB-CB 4.49Å; L213-I293 HydrophobicContact CB-CG2 4.41Å; L213-I293 HydrophobicContact CD1-CB 4.48Å; L213-I293 HydrophobicContact CD1-CG2 3.77Å
214H94.6Very high94Very high7 Ų725.8 Ų25.83%0.03216%0.16CC..EExtended strand (participates in β ladder)trans-99.7129179.6-165.6173.3000110.4T142 L143 H216 H277 V280T142-H214 VanDerWaalsContact CB-O 3.26Å; T142-H214 WeakPolarHBondContact CB-O 3.27Å; T142-H214 WeakPolarHBondContact CG2-O 3.39Å; L143-H214 HydrophobicContact CB-CB 4.47Å; L143-H214 WeakPolarHBondContact O-CB 3.41Å; L143-H214 PolarHBondContact O-N 2.99Å; H214-H216 AromaticContact CD2-CD2 3.78Å; H214-H216 AromaticContact CD2-NE2 3.53Å; H214-H216 AromaticContact CE1-NE2 3.31Å; H214-H216 PolarHBondContact CE1-NE2 3.36Å; H214-H216 VanDerWaalsContact CE1-NE2 3.31Å; H214-H216 AromaticContact ND1-NE2 3.91Å; H214-H216 AromaticContact NE2-CD2 3.56Å; H214-H216 AromaticContact NE2-NE2 3.03Å; H214-H216 PolarHBondContact NE2-NE2 2.89Å; H214-H277 AromaticContact CE1-CD2 3.52Å; H214-H277 AromaticContact CE1-NE2 3.27Å; H214-H277 PolarHBondContact CE1-NE2 3.22Å; H214-H277 VanDerWaalsContact CE1-NE2 3.27Å; H214-H277 AromaticContact NE2-CD2 3.4Å; H214-H277 PolarHBondContact NE2-CD2 3.39Å; H214-H277 AromaticContact NE2-NE2 3.57Å; H214-V280 HydrophobicContact CB-CG2 4.09Å
215L92.4Very high94.1Very high0 Ų025.6 Ų25.60%016%0.162CC..EExtended strand (participates in β ladder)trans-125.2125.7-174.2-158.188.8000112.7F131 W136 T217 T220 I279 I293 Q297F131-L215 HydrophobicContact CD1-CD1 3.97Å; F131-L215 HydrophobicContact CE1-CD1 3.37Å; F131-L215 HydrophobicContact CZ-CD1 3.96Å; W136-L215 HydrophobicContact CB-CD1 3.89Å; W136-L215 HydrophobicContact CD2-CD1 4.03Å; W136-L215 HydrophobicContact CE3-CD1 3.69Å; W136-L215 HydrophobicContact CG-CD1 4.14Å; L215-T217 HydrophobicContact CD1-CG2 4.34Å; L215-T217 HydrophobicContact CD2-CG2 3.74Å; L215-T217 HydrophobicContact CG-CG2 3.91Å; L215-T220 HydrophobicContact CD2-CG2 3.69Å; L215-T220 PolarHBondContact O-OG1 3.5Å; L215-T220 VanDerWaalsContact O-OG1 3.09Å; L215-I279 PolarHBondContact N-O 3.43Å; L215-I279 PolarHBondContact O-N 3.23Å; L215-I293 HydrophobicContact CB-CD1 3.83Å; L215-I293 HydrophobicContact CB-CG1 3.98Å; L215-I293 HydrophobicContact CD1-CG1 4.3Å; L215-I293 HydrophobicContact CD2-CG1 4.3Å; L215-I293 HydrophobicContact CG-CG1 4.43Å; L215-Q297 HydrophobicContact CD2-CB 4.07Å; L215-Q297 HydrophobicContact CD2-CG 4.46Å; L215-Q297 VanDerWaalsContact CD2-OE1 3.28Å
216H90.9Very high94.1Very high37 Ų3726.9 Ų26.917%0.17117%0.166CC..  trans-11638.2178.9-58.4159.3000112.5H141 T142 H214 H277H141-H216 PolarHBondContact O-CE1 3.2Å; H141-H216 VanDerWaalsContact O-CE1 3.31Å; T142-H216 HydrophobicContact CG2-CB 4.13Å; H214-H216 AromaticContact CD2-CD2 3.78Å; H214-H216 AromaticContact CD2-NE2 3.53Å; H214-H216 AromaticContact CE1-NE2 3.31Å; H214-H216 PolarHBondContact CE1-NE2 3.36Å; H214-H216 VanDerWaalsContact CE1-NE2 3.31Å; H214-H216 AromaticContact ND1-NE2 3.91Å; H214-H216 AromaticContact NE2-CD2 3.56Å; H214-H216 AromaticContact NE2-NE2 3.03Å; H214-H216 PolarHBondContact NE2-NE2 2.89Å; H216-H277 AromaticContact CE1-CE1 3.84Å; H216-H277 AromaticContact CE1-NE2 3.54Å; H216-H277 AromaticContact NE2-CD2 3.47Å; H216-H277 PolarHBondContact NE2-CD2 3.31Å; H216-H277 AromaticContact NE2-CE1 3.64Å; H216-H277 AromaticContact NE2-NE2 3.01Å; H216-H277 PolarHBondContact NE2-NE2 2.86Å
217T92.6Very high94.1Very high8 Ų835.7 Ų35.75%0.04921%0.205CC..  trans-67.9155.6175.4630000110W136 L215 A219 T220 A221 Q297W136-T217 HydrophobicContact CB-CG2 4.04Å; W136-T217 HydrophobicContact CG-CG2 4Å; L215-T217 HydrophobicContact CD1-CG2 4.34Å; L215-T217 HydrophobicContact CD2-CG2 3.74Å; L215-T217 HydrophobicContact CG-CG2 3.91Å; T217-A219 PolarHBondContact O-N 3.29Å; T217-A219 VanDerWaalsContact O-N 3.07Å; T217-T220 PolarHBondContact N-OG1 3.18Å; T217-T220 PolarHBondContact O-N 2.96Å; T217-T220 VanDerWaalsContact O-N 3.1Å; T217-T220 PolarHBondContact O-OG1 3.39Å; T217-T220 PolarHBondContact OG1-N 2.99Å; T217-T220 PolarHBondContact OG1-OG1 3.31Å; T217-T220 VanDerWaalsContact OG1-OG1 3.12Å; T217-A221 WeakPolarHBondContact O-CB 3.38Å; T217-A221 PolarHBondContact O-N 3.4Å; T217-Q297 PolarHBondContact OG1-OE1 2.82Å
218P92.1Very high94Very high116 Ų11634 Ų3475%0.75319%0.194SC*.Hα-helixtrans-53.7-32.8176.7-2936.1000113.5A222P218-A222 WeakPolarHBondContact O-CB 3.47Å; P218-A222 PolarHBondContact O-N 3.32Å
219A94.1Very high94Very high13 Ų1331 Ų3111%0.10718%0.178CC..Hα-helixtrans-71.8-45.5176.800000113T217 A222 V223 C300 Q301T217-A219 PolarHBondContact O-N 3.29Å; T217-A219 VanDerWaalsContact O-N 3.07Å; A219-A222 PolarHBondContact O-N 2.95Å; A219-V223 WeakPolarHBondContact O-CG2 3.34Å; A219-V223 PolarHBondContact O-N 2.9Å; A219-C300 HydrophobicContact CB-CB 4.08Å; A219-Q301 HydrophobicContact CB-CG 3.72Å
220T94.3Very high94Very high0 Ų031.6 Ų31.60%018%0.181CC..Hα-helixtrans-71.8-37.5178.356.40000112.1L215 T217 V223 S224 I279 I296 C300L215-T220 HydrophobicContact CD2-CG2 3.69Å; L215-T220 PolarHBondContact O-OG1 3.5Å; L215-T220 VanDerWaalsContact O-OG1 3.09Å; T217-T220 PolarHBondContact N-OG1 3.18Å; T217-T220 PolarHBondContact O-N 2.96Å; T217-T220 VanDerWaalsContact O-N 3.1Å; T217-T220 PolarHBondContact O-OG1 3.39Å; T217-T220 PolarHBondContact OG1-N 2.99Å; T217-T220 PolarHBondContact OG1-OG1 3.31Å; T217-T220 VanDerWaalsContact OG1-OG1 3.12Å; T220-V223 PolarHBondContact O-N 3.45Å; T220-S224 WeakPolarHBondContact O-CB 3.41Å; T220-S224 PolarHBondContact O-N 3.16Å; T220-I279 HydrophobicContact CG2-CD1 3.87Å; T220-I279 HydrophobicContact CG2-CG1 4.35Å; T220-I296 HydrophobicContact CG2-CG2 4.05Å; T220-C300 HydrophobicContact CG2-CB 4.13Å
221A93.3Very high93.9Very high33 Ų3329.6 Ų29.627%0.27318%0.175SC..Hα-helixtrans-59.5-47.8172.200000111.1T217 S224 A225T217-A221 WeakPolarHBondContact O-CB 3.38Å; T217-A221 PolarHBondContact O-N 3.4Å; A221-S224 PolarHBondContact O-N 3.25Å; A221-S224 PolarHBondContact O-OG 3.12Å; A221-A225 PolarHBondContact O-N 3.26Å
222A94.4Very high93.7Very high38 Ų3830.9 Ų30.931%0.31418%0.184SC..Hα-helixtrans-59.4-49.3176.600000112.5P218 A219 S224 A225 M226 V304P218-A222 WeakPolarHBondContact O-CB 3.47Å; P218-A222 PolarHBondContact O-N 3.32Å; A219-A222 PolarHBondContact O-N 2.95Å; A222-S224 VanDerWaalsContact C-N 3.29Å; A222-S224 PolarHBondContact O-N 3.36Å; A222-A225 PolarHBondContact O-N 3.04Å; A222-A225 VanDerWaalsContact O-N 3.15Å; A222-M226 WeakPolarHBondContact O-CG 3.47Å; A222-M226 PolarHBondContact O-N 2.95Å; A222-V304 HydrophobicContact CB-CG2 4.06Å
223V95.6Very high93.4Very high0 Ų032.3 Ų32.30%019%0.191CC..Hα-helixtrans-64.1-33.1177.9174.10000112A219 T220 A225 M226 L230 C300 Q303 V304A219-V223 WeakPolarHBondContact O-CG2 3.34Å; A219-V223 PolarHBondContact O-N 2.9Å; T220-V223 PolarHBondContact O-N 3.45Å; V223-A225 VanDerWaalsContact C-N 3.26Å; V223-A225 PolarHBondContact O-N 3.04Å; V223-M226 HydrophobicContact CG2-SD 4.18Å; V223-M226 PolarHBondContact O-N 3.47Å; V223-L230 HydrophobicContact CG1-CB 4.26Å; V223-L230 HydrophobicContact CG1-CD1 4.27Å; V223-C300 HydrophobicContact CB-CB 4.37Å; V223-C300 HydrophobicContact CG2-CB 3.84Å; V223-Q303 HydrophobicContact CG2-CB 4.43Å; V223-Q303 HydrophobicContact CG2-CG 4.24Å; V223-V304 HydrophobicContact CG2-CG2 3.98Å
224S95.5Very high93.2Very high0 Ų033 Ų330%020%0.195CC..Hα-helixtrans-63.2-31.5175.282.60000113.3T220 A221 A222 L274 R275 N276 H277T220-S224 WeakPolarHBondContact O-CB 3.41Å; T220-S224 PolarHBondContact O-N 3.16Å; A221-S224 PolarHBondContact O-N 3.25Å; A221-S224 PolarHBondContact O-OG 3.12Å; A222-S224 VanDerWaalsContact C-N 3.29Å; A222-S224 PolarHBondContact O-N 3.36Å; S224-L274 WeakPolarHBondContact CB-O 3.25Å; S224-R275 VanDerWaalsContact O-CD 3.25Å; S224-R275 WeakPolarHBondContact O-CD 3.27Å; S224-R275 PolarHBondContact O-NH1 2.95Å; S224-N276 PolarHBondContact O-N 2.65Å; S224-N276 PolarHBondContact OG-N 3.02Å; S224-H277 PolarHBondContact OG-N 3.35Å
225A94.8Very high93Very high50 Ų5037.6 Ų37.641%0.41322%0.217SC..Hα-helixtrans-85.8-15177.700000113.7A221 A222 V223A221-A225 PolarHBondContact O-N 3.26Å; A222-A225 PolarHBondContact O-N 3.04Å; A222-A225 VanDerWaalsContact O-N 3.15Å; V223-A225 VanDerWaalsContact C-N 3.26Å; V223-A225 PolarHBondContact O-N 3.04Å
226M93.8Very high92.9Very high45 Ų4540 Ų4022%0.22223%0.228CC..SBendtrans-71.4128.5175.9-70.5175-17400110.8A222 V223 S228 G229 R275 Q303 V304 L307A222-M226 WeakPolarHBondContact O-CG 3.47Å; A222-M226 PolarHBondContact O-N 2.95Å; V223-M226 HydrophobicContact CG2-SD 4.18Å; V223-M226 PolarHBondContact O-N 3.47Å; M226-S228 PolarHBondContact O-N 3.48Å; M226-G229 PolarHBondContact O-N 3.1Å; M226-R275 PolarHBondContact O-NH1 3.25Å; M226-Q303 HydrophobicContact SD-CG 4.46Å; M226-Q303 PolarHBondContact SD-NE2 3.35Å; M226-V304 HydrophobicContact CE-CG2 3.94Å; M226-L307 HydrophobicContact CE-CD1 3.8Å; M226-L307 HydrophobicContact SD-CD1 3.54Å; M226-L307 VanDerWaalsContact SD-CD1 3.54Å
227K92Very high93Very high198 Ų19838.3 Ų38.386%0.86122%0.221SC*.THydrogen-bonded Turntrans-52.2-44.1178.4-69.1-175.3178.21800112.2G229 R275K227-G229 PolarHBondContact O-N 2.66Å; K227-R275 PolarHBondContact O-NH2 3.14Å
228S90.9Very high92.8Very high45 Ų4538.4 Ų38.432%0.31522%0.221SC..THydrogen-bonded Turntrans-64.3-17.9177.50.70000114.8M226 E313M226-S228 PolarHBondContact O-N 3.48Å; S228-E313 VanDerWaalsContact CB-OE2 3.25Å; S228-E313 WeakPolarHBondContact CB-OE2 3.34Å; S228-E313 PolarHBondContact OG-OE2 2.81Å
229G92.9Very high92.7Very high0 Ų034.5 Ų34.50%019%0.194CC..  trans64.9-150.4-17800000112.9M226 K227 L231 Y245 Q303M226-G229 PolarHBondContact O-N 3.1Å; K227-G229 PolarHBondContact O-N 2.66Å; G229-L231 PolarHBondContact O-N 2.91Å; G229-Y245 WeakPolarHBondContact CA-OH 3.48Å; G229-Q303 PolarHBondContact O-NE2 3.15Å; G229-Q303 PolarHBondContact O-OE1 3.36Å
230L94.3Very high92.4Very high15 Ų1534.3 Ų34.38%0.07919%0.191CC..SBendtrans-77117.2175-17469.8000110.7V223 V240 V243 Y245 A299V223-L230 HydrophobicContact CG1-CB 4.26Å; V223-L230 HydrophobicContact CG1-CD1 4.27Å; L230-V240 HydrophobicContact CD2-CG1 4.15Å; L230-V243 HydrophobicContact CD2-CG2 4.15Å; L230-Y245 PolarHBondContact N-OH 2.61Å; L230-A299 HydrophobicContact CD1-CB 4.05Å
231L92.8Very high91.9Very high16 Ų1635.6 Ų35.68%0.08420%0.204CC..  trans-94.3146.1-177.4-63.3176.4000111.7G229 L233 A237 E313 M318G229-L231 PolarHBondContact O-N 2.91Å; L231-L233 HydrophobicContact CB-CD1 3.83Å; L231-L233 HydrophobicContact CB-CG 3.72Å; L231-L233 HydrophobicContact CD1-CD1 4.16Å; L231-L233 PolarHBondContact O-N 3.35Å; L231-A237 WeakPolarHBondContact O-CB 3.45Å; L231-E313 HydrophobicContact CD1-CB 4.44Å; L231-M318 HydrophobicContact CB-CE 4.33Å; L231-M318 HydrophobicContact CB-SD 4.3Å; L231-M318 HydrophobicContact CD1-CE 4.03Å; L231-M318 HydrophobicContact CD2-CE 3.76Å; L231-M318 HydrophobicContact CG-CE 4.25Å
232P92.5Very high91.7Very high28 Ų2839.1 Ų39.118%0.18222%0.218CC..SBendtrans-78.36217835.3-37000111.5L238 M318 L319 R321P232-L238 HydrophobicContact CB-CD2 4.08Å; P232-M318 HydrophobicContact CG-SD 4.18Å; P232-L319 WeakPolarHBondContact O-CB 3.48Å; P232-L319 PolarHBondContact O-N 2.85Å; P232-R321 HydrophobicContact CB-CG 4.34Å
233L91.7Very high91.6Very high30 Ų3038.6 Ų38.616%0.15721%0.211CC..  trans-90.9-22.4-175.1-67.2170.7000114L231 Q303 L316 M318L231-L233 HydrophobicContact CB-CD1 3.83Å; L231-L233 HydrophobicContact CB-CG 3.72Å; L231-L233 HydrophobicContact CD1-CD1 4.16Å; L231-L233 PolarHBondContact O-N 3.35Å; L233-Q303 HydrophobicContact CD1-CB 3.93Å; L233-Q303 HydrophobicContact CD1-CG 3.81Å; L233-L316 HydrophobicContact CD1-CD1 3.78Å; L233-L316 HydrophobicContact CD2-CB 3.67Å; L233-L316 HydrophobicContact CD2-CD1 3.76Å; L233-L316 HydrophobicContact CD2-CG 4.27Å; L233-L316 HydrophobicContact CG-CD1 4.45Å; L233-M318 HydrophobicContact CD2-SD 3.78Å; L233-M318 HydrophobicContact CG-SD 4.44Å
234S91.4Very high91.6Very high13 Ų1339 Ų399%0.09121%0.214CC..SBendtrans-139.3166.6-173.386.80000111.9E236 A237 L238S234-E236 WeakPolarHBondContact CB-OE2 3.41Å; S234-E236 PolarHBondContact O-N 3.25Å; S234-E236 PolarHBondContact OG-N 2.93Å; S234-E236 PolarHBondContact OG-OE2 3.01Å; S234-A237 WeakPolarHBondContact O-CB 3.26Å; S234-A237 PolarHBondContact O-N 2.81Å; S234-A237 PolarHBondContact OG-N 2.97Å; S234-L238 WeakPolarHBondContact O-CG 3.29Å; S234-L238 PolarHBondContact O-N 2.92Å
235H90.4Very high91.6Very high105 Ų10542.4 Ų42.449%0.48623%0.227SC..Hα-helixtrans-61.9-34.2177.8179.2-111.5000111.8L238 L239H235-L238 WeakPolarHBondContact O-CB 3.43Å; H235-L238 PolarHBondContact O-N 3.29Å; H235-L238 VanDerWaalsContact O-N 3.14Å; H235-L239 WeakPolarHBondContact O-CG 3.46Å; H235-L239 PolarHBondContact O-N 3.1Å
236E91.6Very high91.6Very high49 Ų4940.5 Ų40.523%0.22921%0.21CC..Hα-helixtrans-62.8-44.7175.4-56.163.9-133.900110.2S234 L238 L239 V240 H295 A298 A299 I302S234-E236 WeakPolarHBondContact CB-OE2 3.41Å; S234-E236 PolarHBondContact O-N 3.25Å; S234-E236 PolarHBondContact OG-N 2.93Å; S234-E236 PolarHBondContact OG-OE2 3.01Å; E236-L238 PolarHBondContact O-N 3.09Å; E236-L239 PolarHBondContact O-N 3.26Å; E236-L239 VanDerWaalsContact O-N 3.15Å; E236-V240 VanDerWaalsContact O-CG2 3.29Å; E236-V240 WeakPolarHBondContact O-CG2 3.43Å; E236-V240 PolarHBondContact O-N 3.07Å; E236-V240 VanDerWaalsContact O-N 3.16Å; E236-H295 HydrophobicContact CB-CB 4.34Å; E236-A298 HydrophobicContact CB-CB 4.39Å; E236-A298 HydrophobicContact CG-CB 4Å; E236-A299 HydrophobicContact CB-CB 4.1Å; E236-I302 HydrophobicContact CG-CD1 4.49Å; E236-I302 WeakPolarHBondContact OE2-CD1 3.38Å
237A91.4Very high91.6Very high2 Ų243.7 Ų43.72%0.01723%0.227CC..Hα-helixtrans-64.1-19.117600000114L231 S234 A299 R321L231-A237 WeakPolarHBondContact O-CB 3.45Å; S234-A237 WeakPolarHBondContact O-CB 3.26Å; S234-A237 PolarHBondContact O-N 2.81Å; S234-A237 PolarHBondContact OG-N 2.97Å; A237-A299 HydrophobicContact CB-CB 3.92Å; A237-R321 PolarHBondContact O-NH2 2.89Å
238L89.9Confident91.3Very high11 Ų1135.9 Ų35.96%0.05819%0.193CC..Hα-helixtrans-87.2-39.4172.8-59.8174.5000111.9P232 S234 H235 E236 V240 G241 L319 R321 H324P232-L238 HydrophobicContact CB-CD2 4.08Å; S234-L238 WeakPolarHBondContact O-CG 3.29Å; S234-L238 PolarHBondContact O-N 2.92Å; H235-L238 WeakPolarHBondContact O-CB 3.43Å; H235-L238 PolarHBondContact O-N 3.29Å; H235-L238 VanDerWaalsContact O-N 3.14Å; E236-L238 PolarHBondContact O-N 3.09Å; L238-V240 PolarHBondContact O-N 3.34Å; L238-G241 PolarHBondContact O-N 2.59Å; L238-L319 HydrophobicContact CD1-CB 4.01Å; L238-L319 HydrophobicContact CD1-CD1 3.76Å; L238-L319 HydrophobicContact CD2-CB 4.36Å; L238-L319 HydrophobicContact CG-CD1 4.4Å; L238-R321 HydrophobicContact CD2-CB 4.44Å; L238-R321 HydrophobicContact CD2-CG 3.56Å; L238-H324 HydrophobicContact CD1-CB 3.63Å
239L88.8Confident90.8Very high34 Ų3440.5 Ų40.518%0.17821%0.214CC..Hα-helixtrans-60.8-31.4175.7-74.9170.1000113.2H235 E236 G241 P326H235-L239 WeakPolarHBondContact O-CG 3.46Å; H235-L239 PolarHBondContact O-N 3.1Å; E236-L239 PolarHBondContact O-N 3.26Å; E236-L239 VanDerWaalsContact O-N 3.15Å; L239-G241 VanDerWaalsContact C-N 3.29Å; L239-G241 PolarHBondContact O-N 3.47Å; L239-P326 HydrophobicContact CD2-CB 3.51Å; L239-P326 HydrophobicContact CD2-CG 4Å; L239-P326 HydrophobicContact CG-CB 4.28Å; L239-P326 HydrophobicContact CG-CG 4.5Å
240V87.4Confident90Very high9 Ų942.8 Ų42.86%0.05524%0.238CC..THydrogen-bonded Turntrans-65.7-27.7178.6170.50000113.1L230 E236 L238 V243 V271 H295 I296L230-V240 HydrophobicContact CD2-CG1 4.15Å; E236-V240 VanDerWaalsContact O-CG2 3.29Å; E236-V240 WeakPolarHBondContact O-CG2 3.43Å; E236-V240 PolarHBondContact O-N 3.07Å; E236-V240 VanDerWaalsContact O-N 3.16Å; L238-V240 PolarHBondContact O-N 3.34Å; V240-V243 HydrophobicContact CG1-CG2 4.14Å; V240-V271 HydrophobicContact CG1-CG2 3.74Å; V240-H295 HydrophobicContact CG2-CB 3.76Å; V240-I296 HydrophobicContact CB-CG1 4.34Å; V240-I296 HydrophobicContact CG1-CD1 4.19Å; V240-I296 HydrophobicContact CG1-CG1 3.59Å; V240-I296 HydrophobicContact CG2-CB 4.45Å; V240-I296 HydrophobicContact CG2-CG1 3.66Å
241G84.8Confident89.2Confident26 Ų2648.1 Ų48.127%0.26826%0.262SS..  trans72.1-144.1179.100000114L238 L239 R321L238-G241 PolarHBondContact O-N 2.59Å; L239-G241 VanDerWaalsContact C-N 3.29Å; L239-G241 PolarHBondContact O-N 3.47Å; G241-R321 VanDerWaalsContact O-CZ 3.23Å; G241-R321 PolarHBondContact O-NH1 2.87Å; G241-R321 PolarHBondContact O-NH2 3.39Å
242D88.2Confident88.5Confident108 Ų10847.5 Ų47.558%0.57826%0.259SS*.  trans-85.4131.6-169.7-62.8-36000113.2R321D242-R321 IonicContact OD1-NH1 3.09Å; D242-R321 PolarHBondContact OD1-NH1 3.43Å
243V93.8Very high87.4Confident27 Ų2747.6 Ų47.616%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-117.3125.5-169.31790000110L230 V240 Y245 V271 V273L230-V243 HydrophobicContact CD2-CG2 4.15Å; V240-V243 HydrophobicContact CG1-CG2 4.14Å; V243-Y245 HydrophobicContact CB-CE2 4.49Å; V243-Y245 HydrophobicContact CG1-CE2 4.04Å; V243-V271 HydrophobicContact CB-CB 4.45Å; V243-V271 HydrophobicContact CG1-CB 4.37Å; V243-V271 HydrophobicContact CG1-CG1 4.07Å; V243-V271 HydrophobicContact CG2-CB 4.07Å; V243-V271 HydrophobicContact CG2-CG1 4.15Å; V243-V271 HydrophobicContact CG2-CG2 4.49Å; V243-V273 HydrophobicContact CG1-CB 4.44Å; V243-V273 HydrophobicContact CG1-CG2 3.5Å
244A95.4Very high86.9Confident7 Ų751.6 Ų51.66%0.05828%0.283CS..EExtended strand (participates in β ladder)trans-87.5154.3168.400000110.8S264 L265 C269 V271 L272 V273A244-S264 VanDerWaalsContact CB-O 3.25Å; A244-S264 WeakPolarHBondContact CB-O 3.42Å; A244-L265 HydrophobicContact CB-CD1 4.5Å; A244-C269 HydrophobicContact CB-CB 4.17Å; A244-V271 PolarHBondContact N-O 3.31Å; A244-L272 HydrophobicContact CB-CD1 3.74Å; A244-V273 PolarHBondContact O-N 3.28Å
245Y95.4Very high86.6Confident72 Ų7257.8 Ų57.828%0.28231%0.311SS..EExtended strand (participates in β ladder)trans-122.8141.6173.1-64.9-91.8000109.1G229 L230 V243 V273G229-Y245 WeakPolarHBondContact CA-OH 3.48Å; L230-Y245 PolarHBondContact N-OH 2.61Å; V243-Y245 HydrophobicContact CB-CE2 4.49Å; V243-Y245 HydrophobicContact CG1-CE2 4.04Å; Y245-V273 WeakPolarHBondContact CA-O 3.27Å; Y245-V273 HydrophobicContact CD1-CB 3.61Å; Y245-V273 HydrophobicContact CD1-CG1 3.8Å; Y245-V273 HydrophobicContact CD1-CG2 4.25Å; Y245-V273 HydrophobicContact CE1-CB 3.73Å; Y245-V273 HydrophobicContact CE1-CG1 3.85Å; Y245-V273 HydrophobicContact CE1-CG2 3.88Å; Y245-V273 HydrophobicContact CG-CB 4.43Å
246Y94.8Very high86.4Confident11 Ų1158.9 Ų58.94%0.04332%0.316CS..EExtended strand (participates in β ladder)trans-141.2136.3174.7176.1-107.2000109.9Y248 D257 E260 L261 V273 L274 R275Y246-Y248 HydrophobicContact CD1-CD2 4.28Å; Y246-Y248 HydrophobicContact CE1-CD2 4.06Å; Y246-Y248 PolarHBondContact O-N 3.13Å; Y246-D257 PolarHBondContact OH-O 3.42Å; Y246-E260 HydrophobicContact CD2-CG 4.42Å; Y246-E260 HydrophobicContact CE2-CB 4.25Å; Y246-E260 HydrophobicContact CE2-CG 4.06Å; Y246-L261 HydrophobicContact CD1-CD1 4.11Å; Y246-L261 HydrophobicContact CD2-CB 4.43Å; Y246-L261 HydrophobicContact CD2-CD1 4.42Å; Y246-L261 HydrophobicContact CE1-CD1 4.38Å; Y246-L261 HydrophobicContact CE2-CB 4.07Å; Y246-L261 HydrophobicContact CG-CD1 4.12Å; Y246-V273 PolarHBondContact N-O 3.32Å; Y246-L274 HydrophobicContact CD1-CD2 3.8Å; Y246-R275 PolarHBondContact O-N 3.18Å
247D92.3Very high86.2Confident111 Ų11158.5 Ų58.559%0.59432%0.315SS*.  trans-85.891.6-175.6-65.2-7.8000108.2R275D247-R275 WeakPolarHBondContact OD1-CG 3.26Å
248Y85.9Confident86Confident34 Ų3461.8 Ų61.813%0.13333%0.328CS..  trans-86113.6-165.7-177-100.6000112.5L198 Y246 G250 V252 L274 H277L198-Y248 HydrophobicContact CD1-CE2 4.1Å; L198-Y248 HydrophobicContact CD2-CE2 4.12Å; Y246-Y248 HydrophobicContact CD1-CD2 4.28Å; Y246-Y248 HydrophobicContact CE1-CD2 4.06Å; Y246-Y248 PolarHBondContact O-N 3.13Å; Y248-G250 PolarHBondContact O-N 3.3Å; Y248-G250 PolarHBondContact OH-O 3.03Å; Y248-V252 HydrophobicContact CD2-CG2 4.34Å; Y248-V252 HydrophobicContact CE2-CG2 3.81Å; Y248-L274 HydrophobicContact CD2-CD1 4.37Å; Y248-L274 HydrophobicContact CD2-CD2 3.98Å; Y248-L274 HydrophobicContact CG-CB 4.23Å; Y248-L274 HydrophobicContact CG-CD2 4.3Å; Y248-H277 HydrophobicContact CD1-CB 3.88Å; Y248-H277 AromaticContact CD1-CD2 3.95Å; Y248-H277 AromaticContact CD1-CG 3.68Å; Y248-H277 AromaticContact CD1-ND1 3.97Å; Y248-H277 AromaticContact CE1-CD2 3.88Å; Y248-H277 AromaticContact CE1-CE1 3.77Å; Y248-H277 AromaticContact CE1-CG 3.85Å; Y248-H277 AromaticContact CE1-ND1 3.78Å; Y248-H277 AromaticContact CE1-NE2 3.85Å
249N82Confident86Confident142 Ų14266.1 Ų66.176%0.75935%0.349SS*.  trans-87.24.5-175.2-65.5-42.5000114.9
250G76.1Confident86.2Confident48 Ų4869 Ų6950%0.49536%0.361SS..SBendtrans106.3-29-179.800000114.5Y248Y248-G250 PolarHBondContact O-N 3.3Å; Y248-G250 PolarHBondContact OH-O 3.03Å
251E76.6Confident86.4Confident128 Ų12868.7 Ų68.760%0.59836%0.359SS*.  trans-131158.6-179.1-157.1-16913600110.4
252V77.9Confident86.8Confident2 Ų272.2 Ų72.21%0.01237%0.369CS..  trans-13455.8170.2-169.60000108.7S197 L198 A201 Y248 D257 R258 L261S197-V252 PolarHBondContact OG-O 3.3Å; L198-V252 HydrophobicContact CB-CG2 4.45Å; L198-V252 HydrophobicContact CD1-CG2 4Å; A201-V252 HydrophobicContact CB-CG1 3.89Å; Y248-V252 HydrophobicContact CD2-CG2 4.34Å; Y248-V252 HydrophobicContact CE2-CG2 3.81Å; V252-D257 HydrophobicContact CG1-CB 3.93Å; V252-R258 HydrophobicContact CG1-CG 3.98Å; V252-R258 PolarHBondContact O-NH1 2.77Å; V252-L261 HydrophobicContact CG1-CD2 4.06Å
253G69.8Low87Confident31 Ų3174.4 Ų74.432%0.3237%0.373SS..  trans-79-44.6-177.700000112.9
254Q81.5Confident86.9Confident113 Ų11375.3 Ų75.353%0.52838%0.38SS..SBendtrans-82.3159.8-166.5-47.6-53.9-3900112.9E256 D257 R258Q254-E256 VanDerWaalsContact C-N 3.31Å; Q254-D257 WeakPolarHBondContact CB-OD2 3.42Å; Q254-D257 WeakPolarHBondContact CG-OD2 3.47Å; Q254-D257 PolarHBondContact N-OD2 2.94Å; Q254-D257 VanDerWaalsContact N-OD2 3.11Å; Q254-D257 PolarHBondContact O-N 2.69Å; Q254-R258 VanDerWaalsContact O-CG 3.31Å; Q254-R258 WeakPolarHBondContact O-CG 3.15Å; Q254-R258 PolarHBondContact O-N 3.47Å
255E83.8Confident86.8Confident144 Ų14475 Ų7567%0.67338%0.378SS*.Hα-helixtrans-71.1-31.8179.1-159.3172.1171.300111.2R258 M259E255-R258 PolarHBondContact O-N 2.89Å; E255-M259 HydrophobicContact CG-CE 4.31Å; E255-M259 WeakPolarHBondContact O-CG 3.47Å; E255-M259 PolarHBondContact O-N 3.19Å
256E87.4Confident86.5Confident127 Ų12772.6 Ų72.659%0.59338%0.375SS*.Hα-helixtrans-59-48.9170.7-68.272.6-164.100112.1Q254 R258 M259 E260Q254-E256 VanDerWaalsContact C-N 3.31Å; E256-R258 VanDerWaalsContact C-N 3.29Å; E256-R258 PolarHBondContact O-N 2.52Å; E256-M259 PolarHBondContact O-N 3.46Å; E256-E260 PolarHBondContact O-N 2.6Å
257D87.8Confident86.3Confident41 Ų4177.3 Ų77.322%0.21941%0.407CS..Hα-helixtrans-59-43.7178.2-57.7-38.8000110.6Y246 V252 Q254 E260 L261Y246-D257 PolarHBondContact OH-O 3.42Å; V252-D257 HydrophobicContact CG1-CB 3.93Å; Q254-D257 WeakPolarHBondContact CB-OD2 3.42Å; Q254-D257 WeakPolarHBondContact CG-OD2 3.47Å; Q254-D257 PolarHBondContact N-OD2 2.94Å; Q254-D257 VanDerWaalsContact N-OD2 3.11Å; Q254-D257 PolarHBondContact O-N 2.69Å; D257-E260 PolarHBondContact O-N 3.19Å; D257-L261 WeakPolarHBondContact O-CB 3.48Å; D257-L261 PolarHBondContact O-N 2.79Å
258R87.3Confident86.1Confident72 Ų7277.2 Ų77.227%0.27241%0.41SS..Hα-helixtrans-65.2-39.6178.5-66.4171113.989.21.5111.7S200 A201 V252 Q254 E255 E256 Q262S200-R258 PolarHBondContact OG-NH2 2.83Å; A201-R258 HydrophobicContact CB-CG 4.09Å; V252-R258 HydrophobicContact CG1-CG 3.98Å; V252-R258 PolarHBondContact O-NH1 2.77Å; Q254-R258 VanDerWaalsContact O-CG 3.31Å; Q254-R258 WeakPolarHBondContact O-CG 3.15Å; Q254-R258 PolarHBondContact O-N 3.47Å; E255-R258 PolarHBondContact O-N 2.89Å; E256-R258 VanDerWaalsContact C-N 3.29Å; E256-R258 PolarHBondContact O-N 2.52Å; R258-Q262 WeakPolarHBondContact O-CB 3.21Å; R258-Q262 PolarHBondContact O-N 2.96Å
259M89.9Confident86.4Confident102 Ų10276.6 Ų76.650%0.50241%0.411SS..Hα-helixtrans-67.5-41.9175.2-77.7-171.4-78.400112.5E255 E256 Q262 K263E255-M259 HydrophobicContact CG-CE 4.31Å; E255-M259 WeakPolarHBondContact O-CG 3.47Å; E255-M259 PolarHBondContact O-N 3.19Å; E256-M259 PolarHBondContact O-N 3.46Å; M259-Q262 PolarHBondContact O-N 2.82Å; M259-K263 VanDerWaalsContact O-CB 3.29Å; M259-K263 WeakPolarHBondContact O-CB 3.28Å; M259-K263 PolarHBondContact O-N 3.05Å
260E91.5Very high86.9Confident95 Ų9573 Ų7344%0.44439%0.388SS..Hα-helixtrans-69.4-41.2176.3-175.7133.8-109.400112Y246 E256 D257 Q262 K263 S264Y246-E260 HydrophobicContact CD2-CG 4.42Å; Y246-E260 HydrophobicContact CE2-CB 4.25Å; Y246-E260 HydrophobicContact CE2-CG 4.06Å; E256-E260 PolarHBondContact O-N 2.6Å; D257-E260 PolarHBondContact O-N 3.19Å; E260-Q262 VanDerWaalsContact C-N 3.34Å; E260-Q262 PolarHBondContact O-N 3.36Å; E260-K263 PolarHBondContact O-N 2.91Å; E260-K263 IonicContact OE1-NZ 2.88Å; E260-K263 PolarHBondContact OE1-NZ 3.1Å; E260-S264 WeakPolarHBondContact O-CB 3.44Å; E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 2.71Å
261L92.3Very high87.8Confident1 Ų170.7 Ų70.71%0.00537%0.365CS..Hα-helixtrans-56.3-46.4172.5176.562.9000111.6L198 A201 I202 Y246 V252 D257 S264 L265 L272L198-L261 HydrophobicContact CD1-CD2 4.42Å; A201-L261 HydrophobicContact CB-CD2 3.74Å; I202-L261 HydrophobicContact CG1-CD2 4.09Å; Y246-L261 HydrophobicContact CD1-CD1 4.11Å; Y246-L261 HydrophobicContact CD2-CB 4.43Å; Y246-L261 HydrophobicContact CD2-CD1 4.42Å; Y246-L261 HydrophobicContact CE1-CD1 4.38Å; Y246-L261 HydrophobicContact CE2-CB 4.07Å; Y246-L261 HydrophobicContact CG-CD1 4.12Å; V252-L261 HydrophobicContact CG1-CD2 4.06Å; D257-L261 WeakPolarHBondContact O-CB 3.48Å; D257-L261 PolarHBondContact O-N 2.79Å; L261-S264 PolarHBondContact O-N 2.65Å; L261-L265 WeakPolarHBondContact O-CB 3.16Å; L261-L265 PolarHBondContact O-N 2.9Å; L261-L272 HydrophobicContact CD1-CD2 3.5Å
262Q92.1Very high88.7Confident101 Ų10164.6 Ų64.647%0.47234%0.337SS..Hα-helixtrans-63.2-43.8176.9-178.6175.546.700112.3A205 R258 M259 E260 G266A205-Q262 HydrophobicContact CB-CB 3.94Å; A205-Q262 HydrophobicContact CB-CG 3.94Å; R258-Q262 WeakPolarHBondContact O-CB 3.21Å; R258-Q262 PolarHBondContact O-N 2.96Å; M259-Q262 PolarHBondContact O-N 2.82Å; E260-Q262 VanDerWaalsContact C-N 3.34Å; E260-Q262 PolarHBondContact O-N 3.36Å; Q262-G266 PolarHBondContact O-N 3.27Å
263K92.6Very high89.6Confident154 Ų15464.6 Ų64.667%0.6734%0.336SS*.Hα-helixtrans-61.9-42.5177.6170.5-170.3159.7-148.90112.1M259 E260M259-K263 VanDerWaalsContact O-CB 3.29Å; M259-K263 WeakPolarHBondContact O-CB 3.28Å; M259-K263 PolarHBondContact O-N 3.05Å; E260-K263 PolarHBondContact O-N 2.91Å; E260-K263 IonicContact OE1-NZ 2.88Å; E260-K263 PolarHBondContact OE1-NZ 3.1Å
264S92.6Very high90.8Very high45 Ų4563.1 Ų63.132%0.31532%0.321SS..Hα-helixtrans-77.1-36.9-178.6-65.60000113A244 E260 L261A244-S264 VanDerWaalsContact CB-O 3.25Å; A244-S264 WeakPolarHBondContact CB-O 3.42Å; E260-S264 WeakPolarHBondContact O-CB 3.44Å; E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 2.71Å; L261-S264 PolarHBondContact O-N 2.65Å
265L92.6Very high91.4Very high1 Ų160.2 Ų60.21%0.00531%0.305CS..Hα-helixtrans-71.3-39.7175.5179.261.6000112.6I202 R206 A244 L261 C269 L272 L282I202-L265 HydrophobicContact CG2-CD2 4.07Å; R206-L265 HydrophobicContact CG-CD2 3.69Å; R206-L265 HydrophobicContact CG-CG 4.41Å; A244-L265 HydrophobicContact CB-CD1 4.5Å; L261-L265 WeakPolarHBondContact O-CB 3.16Å; L261-L265 PolarHBondContact O-N 2.9Å; L265-C269 HydrophobicContact CD1-CB 4.5Å; L265-C269 WeakPolarHBondContact O-CB 3.41Å; L265-L272 HydrophobicContact CD1-CB 4.34Å; L265-L282 HydrophobicContact CD1-CD1 4.07Å; L265-L282 HydrophobicContact CD1-CD2 3.95Å; L265-L282 HydrophobicContact CD2-CD2 3.85Å; L265-L282 HydrophobicContact CG-CD2 4.48Å
266G90.5Very high91.8Very high21 Ų2159.6 Ų59.622%0.21631%0.307CS..THydrogen-bonded Turntrans61.6-174.3178.700000115.2R206 Q262R206-G266 WeakPolarHBondContact CD-O 3.48Å; R206-G266 PolarHBondContact NH1-O 2.95Å; Q262-G266 PolarHBondContact O-N 3.27Å
267P89.7Confident92Very high111 Ų11156.4 Ų56.472%0.72129%0.292SS*.THydrogen-bonded Turntrans-83.6-14.2-172.232.3-35.7000114.7
268T87.6Confident92.2Very high108 Ų10854.5 Ų54.566%0.66328%0.281SS*.THydrogen-bonded Turntrans-122.8-25.7-167.445.90000115.2
269C91.9Very high92.6Very high22 Ų2251.1 Ų51.115%0.14927%0.269CS..  trans-66.2145.3-179.2-59.60000110.6R206 A244 L265R206-C269 PolarHBondContact NH1-O 2.76Å; A244-C269 HydrophobicContact CB-CB 4.17Å; L265-C269 HydrophobicContact CD1-CB 4.5Å; L265-C269 WeakPolarHBondContact O-CB 3.41Å
270K92.7Very high92.9Very high65 Ų6546.2 Ų46.228%0.28325%0.245SC..  trans-116.46178.8-67-169.2175.2-172.90112.9L282 E288K270-L282 VanDerWaalsContact C-CD1 3.5Å; K270-L282 WeakPolarHBondContact O-CD1 3.39Å; K270-L282 PolarHBondContact O-N 3.1Å; K270-E288 VanDerWaalsContact NZ-CD 3.34Å; K270-E288 IonicContact NZ-OE1 2.68Å; K270-E288 PolarHBondContact NZ-OE1 2.96Å; K270-E288 IonicContact NZ-OE2 3.42Å; K270-E288 PolarHBondContact NZ-OE2 2.98Å
271V95.8Very high93.1Very high1 Ų141.7 Ų41.71%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-141.6134.6-177.1-172.90000108.8V240 V243 A244 I279 V280 T292 I296V240-V271 HydrophobicContact CG1-CG2 3.74Å; V243-V271 HydrophobicContact CB-CB 4.45Å; V243-V271 HydrophobicContact CG1-CB 4.37Å; V243-V271 HydrophobicContact CG1-CG1 4.07Å; V243-V271 HydrophobicContact CG2-CB 4.07Å; V243-V271 HydrophobicContact CG2-CG1 4.15Å; V243-V271 HydrophobicContact CG2-CG2 4.49Å; A244-V271 PolarHBondContact N-O 3.31Å; V271-I279 HydrophobicContact CG1-CG2 3.63Å; V271-V280 WeakPolarHBondContact CA-O 3.46Å; V271-T292 HydrophobicContact CG2-CG2 3.61Å; V271-I296 HydrophobicContact CB-CD1 4.29Å; V271-I296 HydrophobicContact CG1-CD1 3.5Å; V271-I296 VanDerWaalsContact CG1-CD1 3.5Å; V271-I296 HydrophobicContact CG1-CG1 4.35Å; V271-I296 HydrophobicContact CG2-CD1 3.81Å
272L96.1Very high93.3Very high0 Ų041.7 Ų41.70%022%0.223CC..EExtended strand (participates in β ladder)trans-126.1115.7174.6-176.567000109.1I202 A244 L261 L265 L274 I279 V280 L282I202-L272 HydrophobicContact CD1-CD2 4.13Å; A244-L272 HydrophobicContact CB-CD1 3.74Å; L261-L272 HydrophobicContact CD1-CD2 3.5Å; L265-L272 HydrophobicContact CD1-CB 4.34Å; L272-L274 HydrophobicContact CD2-CD2 3.71Å; L272-L274 HydrophobicContact CG-CD2 3.96Å; L272-L274 HydrophobicContact CG-CG 4.5Å; L272-I279 WeakPolarHBondContact O-CA 3.14Å; L272-V280 HydrophobicContact CB-CB 4.44Å; L272-V280 PolarHBondContact N-O 2.73Å; L272-V280 PolarHBondContact O-N 3.2Å; L272-L282 HydrophobicContact CB-CD1 4.36Å
273V96.3Very high93.4Very high1 Ų137 Ų371%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-87.9116170.11770000108V243 A244 Y245 Y246 I279V243-V273 HydrophobicContact CG1-CB 4.44Å; V243-V273 HydrophobicContact CG1-CG2 3.5Å; A244-V273 PolarHBondContact O-N 3.28Å; Y245-V273 WeakPolarHBondContact CA-O 3.27Å; Y245-V273 HydrophobicContact CD1-CB 3.61Å; Y245-V273 HydrophobicContact CD1-CG1 3.8Å; Y245-V273 HydrophobicContact CD1-CG2 4.25Å; Y245-V273 HydrophobicContact CE1-CB 3.73Å; Y245-V273 HydrophobicContact CE1-CG1 3.85Å; Y245-V273 HydrophobicContact CE1-CG2 3.88Å; Y245-V273 HydrophobicContact CG-CB 4.43Å; Y246-V273 PolarHBondContact N-O 3.32Å; V273-I279 HydrophobicContact CG1-CG1 4.41Å; V273-I279 HydrophobicContact CG2-CD1 4.07Å; V273-I279 HydrophobicContact CG2-CG1 4.02Å; V273-I279 HydrophobicContact CG2-CG2 4.25Å
274L94.7Very high93.5Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-90.2109175.4-60.9173.5000107.2L198 S224 Y246 Y248 L272 N276 H277 G278 V280L198-L274 HydrophobicContact CD1-CD1 4.49Å; L198-L274 HydrophobicContact CD2-CD1 3.66Å; S224-L274 WeakPolarHBondContact CB-O 3.25Å; Y246-L274 HydrophobicContact CD1-CD2 3.8Å; Y248-L274 HydrophobicContact CD2-CD1 4.37Å; Y248-L274 HydrophobicContact CD2-CD2 3.98Å; Y248-L274 HydrophobicContact CG-CB 4.23Å; Y248-L274 HydrophobicContact CG-CD2 4.3Å; L272-L274 HydrophobicContact CD2-CD2 3.71Å; L272-L274 HydrophobicContact CG-CD2 3.96Å; L272-L274 HydrophobicContact CG-CG 4.5Å; L274-N276 PolarHBondContact O-N 3.5Å; L274-H277 HydrophobicContact CB-CB 4.09Å; L274-H277 PolarHBondContact O-N 2.89Å; L274-H277 VanDerWaalsContact O-N 3.14Å; L274-G278 PolarHBondContact N-O 3.48Å; L274-G278 PolarHBondContact O-N 3.23Å; L274-G278 VanDerWaalsContact O-N 3.1Å; L274-V280 HydrophobicContact CD1-CG2 3.83Å; L274-V280 HydrophobicContact CG-CG2 4.49Å
275R94.5Very high93.5Very high53 Ų5332.7 Ų32.720%0.218%0.181CC..THydrogen-bonded Turntrans-52.1136.7-174.9-69.7-52.8-162.7161.43111.2S224 M226 K227 Y246 D247 H277S224-R275 VanDerWaalsContact O-CD 3.25Å; S224-R275 WeakPolarHBondContact O-CD 3.27Å; S224-R275 PolarHBondContact O-NH1 2.95Å; M226-R275 PolarHBondContact O-NH1 3.25Å; K227-R275 PolarHBondContact O-NH2 3.14Å; Y246-R275 PolarHBondContact O-N 3.18Å; D247-R275 WeakPolarHBondContact OD1-CG 3.26Å; R275-H277 PolarHBondContact O-N 3.37Å
276N92.5Very high93.6Very high131 Ų13132.9 Ų32.970%0.70118%0.182SC*.THydrogen-bonded Turntrans57.416.8177.4-62.278.7000115.2S224 L274S224-N276 PolarHBondContact O-N 2.65Å; S224-N276 PolarHBondContact OG-N 3.02Å; L274-N276 PolarHBondContact O-N 3.5Å
277H91.6Very high93.8Very high60 Ų6032.3 Ų32.328%0.27817%0.173SC..THydrogen-bonded Turntrans-133.2-58.2-174.2-173.977.6000112.7H214 H216 S224 Y248 L274 R275H214-H277 AromaticContact CE1-CD2 3.52Å; H214-H277 AromaticContact CE1-NE2 3.27Å; H214-H277 PolarHBondContact CE1-NE2 3.22Å; H214-H277 VanDerWaalsContact CE1-NE2 3.27Å; H214-H277 AromaticContact NE2-CD2 3.4Å; H214-H277 PolarHBondContact NE2-CD2 3.39Å; H214-H277 AromaticContact NE2-NE2 3.57Å; H216-H277 AromaticContact CE1-CE1 3.84Å; H216-H277 AromaticContact CE1-NE2 3.54Å; H216-H277 AromaticContact NE2-CD2 3.47Å; H216-H277 PolarHBondContact NE2-CD2 3.31Å; H216-H277 AromaticContact NE2-CE1 3.64Å; H216-H277 AromaticContact NE2-NE2 3.01Å; H216-H277 PolarHBondContact NE2-NE2 2.86Å; S224-H277 PolarHBondContact OG-N 3.35Å; Y248-H277 HydrophobicContact CD1-CB 3.88Å; Y248-H277 AromaticContact CD1-CD2 3.95Å; Y248-H277 AromaticContact CD1-CG 3.68Å; Y248-H277 AromaticContact CD1-ND1 3.97Å; Y248-H277 AromaticContact CE1-CD2 3.88Å; Y248-H277 AromaticContact CE1-CE1 3.77Å; Y248-H277 AromaticContact CE1-CG 3.85Å; Y248-H277 AromaticContact CE1-ND1 3.78Å; Y248-H277 AromaticContact CE1-NE2 3.85Å; L274-H277 HydrophobicContact CB-CB 4.09Å; L274-H277 PolarHBondContact O-N 2.89Å; L274-H277 VanDerWaalsContact O-N 3.14Å; R275-H277 PolarHBondContact O-N 3.37Å
278G92.1Very high94Very high0 Ų028 Ų280%014%0.144CC..EExtended strand (participates in β ladder)trans168.7-161.1-174.200000114.4L274L274-G278 PolarHBondContact N-O 3.48Å; L274-G278 PolarHBondContact O-N 3.23Å; L274-G278 VanDerWaalsContact O-N 3.1Å
279I95.1Very high94.4Very high1 Ų122.9 Ų22.91%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-135.9134.3-177.7-51.8179.4000110.6L215 T220 V271 L272 V273 I296L215-I279 PolarHBondContact N-O 3.43Å; L215-I279 PolarHBondContact O-N 3.23Å; T220-I279 HydrophobicContact CG2-CD1 3.87Å; T220-I279 HydrophobicContact CG2-CG1 4.35Å; V271-I279 HydrophobicContact CG1-CG2 3.63Å; L272-I279 WeakPolarHBondContact O-CA 3.14Å; V273-I279 HydrophobicContact CG1-CG1 4.41Å; V273-I279 HydrophobicContact CG2-CD1 4.07Å; V273-I279 HydrophobicContact CG2-CG1 4.02Å; V273-I279 HydrophobicContact CG2-CG2 4.25Å; I279-I296 HydrophobicContact CB-CG2 4.3Å; I279-I296 HydrophobicContact CD1-CG2 3.67Å; I279-I296 HydrophobicContact CG2-CD1 4.05Å; I279-I296 HydrophobicContact CG2-CG2 4Å
280V95.8Very high94.6Very high0 Ų022.1 Ų22.10%011%0.106CC..EExtended strand (participates in β ladder)trans-107.8126.9173.8-175.40000109.6I202 L212 L213 H214 V271 L272 L274I202-V280 HydrophobicContact CD1-CG1 4.22Å; L212-V280 HydrophobicContact CB-CG1 4.4Å; L212-V280 HydrophobicContact CD2-CG1 4.29Å; L213-V280 WeakPolarHBondContact O-CA 3.46Å; H214-V280 HydrophobicContact CB-CG2 4.09Å; V271-V280 WeakPolarHBondContact CA-O 3.46Å; L272-V280 HydrophobicContact CB-CB 4.44Å; L272-V280 PolarHBondContact N-O 2.73Å; L272-V280 PolarHBondContact O-N 3.2Å; L274-V280 HydrophobicContact CD1-CG2 3.83Å; L274-V280 HydrophobicContact CG-CG2 4.49Å
281A96.5Very high94.7Very high0 Ų020 Ų200%010%0.097CC..EExtended strand (participates in β ladder)trans-97138.316800000110.9L212 L213 T292 I293 I296L212-A281 WeakPolarHBondContact CA-O 3.23Å; L213-A281 PolarHBondContact N-O 3.29Å; L213-A281 PolarHBondContact O-N 3.22Å; A281-T292 HydrophobicContact CB-CG2 3.89Å; A281-I293 HydrophobicContact CB-CB 3.81Å; A281-I293 HydrophobicContact CB-CD1 3.78Å; A281-I293 HydrophobicContact CB-CG1 4.33Å; A281-I296 HydrophobicContact CB-CD1 4.29Å
282L96.4Very high94.6Very high1 Ų120.5 Ų20.51%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-118.4130.7-177.4-56.488.9000110.1I202 V209 L212 L265 K270 L272I202-L282 HydrophobicContact CG2-CD2 3.47Å; I202-L282 VanDerWaalsContact CG2-CD2 3.47Å; I202-L282 HydrophobicContact CG2-CG 4.4Å; V209-L282 HydrophobicContact CG1-CB 4.03Å; V209-L282 HydrophobicContact CG1-CD2 4.44Å; V209-L282 HydrophobicContact CG2-CB 4.03Å; V209-L282 HydrophobicContact CG2-CD2 4.09Å; L212-L282 HydrophobicContact CD2-CB 4.11Å; L212-L282 HydrophobicContact CD2-CD2 3.89Å; L212-L282 HydrophobicContact CD2-CG 3.6Å; L265-L282 HydrophobicContact CD1-CD1 4.07Å; L265-L282 HydrophobicContact CD1-CD2 3.95Å; L265-L282 HydrophobicContact CD2-CD2 3.85Å; L265-L282 HydrophobicContact CG-CD2 4.48Å; K270-L282 VanDerWaalsContact C-CD1 3.5Å; K270-L282 WeakPolarHBondContact O-CD1 3.39Å; K270-L282 PolarHBondContact O-N 3.1Å; L272-L282 HydrophobicContact CB-CD1 4.36Å
283G94.4Very high94.6Very high1 Ų120.5 Ų20.51%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-139.4150.6178.500000114.6R210 C211 S285 E288R210-G283 PolarHBondContact N-O 3.42Å; C211-G283 PolarHBondContact N-O 3.39Å; C211-G283 PolarHBondContact O-N 3Å; G283-S285 PolarHBondContact O-N 2.78Å; G283-E288 WeakPolarHBondContact CA-OE2 3.49Å
284E93.4Very high94.6Very high92 Ų9225.3 Ų25.343%0.4312%0.119SC..SBendtrans-65.4-23.3167.5-70.8-178.7-147.400111.9R210 E288 R346R210-E284 WeakPolarHBondContact CB-O 3.37Å; E284-E288 PolarHBondContact N-OE2 3.16Å; E284-R346 IonicContact OE2-CZ 3.85Å; E284-R346 IonicContact OE2-NH1 2.86Å; E284-R346 PolarHBondContact OE2-NH1 2.93Å
285S93.3Very high94.6Very high17 Ų1726.7 Ų26.712%0.11913%0.125CC..SBendtrans-139.2172.3178.288.50000111.4G283 E287 E288 A289G283-S285 PolarHBondContact O-N 2.78Å; S285-E287 WeakPolarHBondContact CB-OE2 3.26Å; S285-E287 PolarHBondContact OG-N 3.48Å; S285-E287 PolarHBondContact OG-OE2 3.24Å; S285-E288 PolarHBondContact OG-N 3.45Å; S285-A289 PolarHBondContact O-N 3.27Å
286M94.8Very high94.6Very high5 Ų524.1 Ų24.13%0.02512%0.115CC..Hα-helixtrans-68.4-40.4179.5-163.579.1-159.900111.1K123 L124 T127 L146 C211 L213 A289 F290 F352K123-M286 HydrophobicContact CB-CB 4.49Å; K123-M286 HydrophobicContact CB-CG 4.22Å; L124-M286 HydrophobicContact CD1-CE 3.62Å; L124-M286 HydrophobicContact CD1-SD 4.34Å; T127-M286 VanDerWaalsContact CB-CE 3.48Å; T127-M286 HydrophobicContact CG2-CE 3.75Å; T127-M286 VanDerWaalsContact OG1-CE 3.23Å; T127-M286 WeakPolarHBondContact OG1-CE 3.28Å; L146-M286 HydrophobicContact CD1-SD 4.05Å; L146-M286 HydrophobicContact CD2-SD 3.96Å; L146-M286 HydrophobicContact CG-SD 4.44Å; C211-M286 HydrophobicContact CB-SD 4.34Å; C211-M286 PolarHBondContact SG-SD 2.98Å; L213-M286 HydrophobicContact CD2-CE 3.71Å; M286-A289 PolarHBondContact O-N 2.95Å; M286-F290 VanDerWaalsContact O-CB 3.26Å; M286-F290 WeakPolarHBondContact O-CB 3.44Å; M286-F290 PolarHBondContact O-N 3.39Å; M286-F352 HydrophobicContact CG-CE2 4.21Å; M286-F352 HydrophobicContact CG-CZ 4.1Å
287E94.3Very high94.8Very high9 Ų918.2 Ų18.24%0.0428%0.083CC..Hα-helixtrans-64.9-42.9-176.5-55.775.5-167.800111.1K123 S285 Y291 E349 F352K123-E287 WeakPolarHBondContact CD-OE1 3.26Å; K123-E287 WeakPolarHBondContact CE-OE1 3.33Å; K123-E287 IonicContact NZ-OE1 2.74Å; K123-E287 PolarHBondContact NZ-OE1 2.89Å; S285-E287 WeakPolarHBondContact CB-OE2 3.26Å; S285-E287 PolarHBondContact OG-N 3.48Å; S285-E287 PolarHBondContact OG-OE2 3.24Å; E287-Y291 VanDerWaalsContact O-CB 3.28Å; E287-Y291 WeakPolarHBondContact O-CB 3.4Å; E287-Y291 PolarHBondContact O-N 2.99Å; E287-E349 HydrophobicContact CB-CG 4.33Å; E287-E349 HydrophobicContact CG-CG 4.29Å; E287-F352 HydrophobicContact CB-CB 3.97Å; E287-F352 HydrophobicContact CB-CG 4.26Å; E287-F352 HydrophobicContact CG-CB 3.75Å; E287-F352 HydrophobicContact CG-CD1 3.9Å; E287-F352 HydrophobicContact CG-CD2 4.48Å; E287-F352 HydrophobicContact CG-CG 3.8Å
288E93.9Very high95Very high21 Ų2116.4 Ų16.410%0.0988%0.079CC..Hα-helixtrans-66.2-50.3176.7-179.9176-127.800111.6K270 G283 E284 S285 F290 Y291 T292K270-E288 VanDerWaalsContact NZ-CD 3.34Å; K270-E288 IonicContact NZ-OE1 2.68Å; K270-E288 PolarHBondContact NZ-OE1 2.96Å; K270-E288 IonicContact NZ-OE2 3.42Å; K270-E288 PolarHBondContact NZ-OE2 2.98Å; G283-E288 WeakPolarHBondContact CA-OE2 3.49Å; E284-E288 PolarHBondContact N-OE2 3.16Å; S285-E288 PolarHBondContact OG-N 3.45Å; E288-F290 VanDerWaalsContact C-N 3.28Å; E288-F290 PolarHBondContact O-N 2.96Å; E288-Y291 PolarHBondContact O-N 2.75Å; E288-T292 PolarHBondContact O-N 3.39Å; E288-T292 PolarHBondContact O-OG1 2.82Å
289A95.8Very high95.1Very high0 Ų016.5 Ų16.50%08%0.08CC..Hα-helixtrans-60.5-40178.800000111.6C211 L213 S285 M286 T292 I293C211-A289 HydrophobicContact CB-CB 3.79Å; L213-A289 HydrophobicContact CD1-CB 3.92Å; L213-A289 HydrophobicContact CG-CB 4.05Å; S285-A289 PolarHBondContact O-N 3.27Å; M286-A289 PolarHBondContact O-N 2.95Å; A289-T292 PolarHBondContact O-N 3.12Å; A289-I293 PolarHBondContact O-N 3.22Å
290F95.9Very high95.2Very high6 Ų616.5 Ų16.53%0.0268%0.08CC..Hα-helixtrans-65.8-44.4176.6-171-89000112.3T127 L130 F131 Y134 L213 M286 E288 T292 I293 Y294 F352 L355T127-F290 HydrophobicContact CG2-CD2 3.54Å; T127-F290 HydrophobicContact CG2-CE2 3.85Å; L130-F290 HydrophobicContact CB-CE2 4.03Å; L130-F290 HydrophobicContact CB-CZ 4.11Å; L130-F290 HydrophobicContact CD1-CE2 3.99Å; L130-F290 HydrophobicContact CD1-CZ 3.85Å; F131-F290 HydrophobicContact CD2-CE2 4.16Å; F131-F290 HydrophobicContact CE2-CD2 4.11Å; F131-F290 AromaticContact CE2-CE2 3.91Å; F131-F290 HydrophobicContact CE2-CE2 3.91Å; Y134-F290 AromaticContact CE2-CZ 3.91Å; Y134-F290 HydrophobicContact CE2-CZ 3.91Å; L213-F290 HydrophobicContact CD1-CB 4.18Å; L213-F290 HydrophobicContact CD1-CD2 4.41Å; M286-F290 VanDerWaalsContact O-CB 3.26Å; M286-F290 WeakPolarHBondContact O-CB 3.44Å; M286-F290 PolarHBondContact O-N 3.39Å; E288-F290 VanDerWaalsContact C-N 3.28Å; E288-F290 PolarHBondContact O-N 2.96Å; F290-T292 VanDerWaalsContact C-N 3.31Å; F290-T292 PolarHBondContact O-N 3.37Å; F290-I293 PolarHBondContact O-N 2.71Å; F290-Y294 HydrophobicContact CE1-CD2 4.31Å; F290-Y294 VanDerWaalsContact O-CB 3.27Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.09Å; F290-F352 HydrophobicContact CB-CD2 3.97Å; F290-F352 HydrophobicContact CB-CE2 4.15Å; F290-F352 HydrophobicContact CD1-CD2 4.11Å; F290-F352 HydrophobicContact CD2-CE2 4.44Å; F290-F352 AromaticContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CE2 4.14Å; F290-L355 HydrophobicContact CD1-CD1 4.15Å; F290-L355 HydrophobicContact CE1-CD1 3.3Å; F290-L355 HydrophobicContact CZ-CD1 3.86Å
291Y94.9Very high95.2Very high22 Ų2221 Ų219%0.08610%0.101CC..Hα-helixtrans-58.1-45.4174.4-178.5-87.3000111.1E287 E288 H295 T329 T347 E351E287-Y291 VanDerWaalsContact O-CB 3.28Å; E287-Y291 WeakPolarHBondContact O-CB 3.4Å; E287-Y291 PolarHBondContact O-N 2.99Å; E288-Y291 PolarHBondContact O-N 2.75Å; Y291-H295 AromaticContact CD1-ND1 3.82Å; Y291-H295 AromaticContact CD2-CE1 3.71Å; Y291-H295 AromaticContact CE1-CE1 3.9Å; Y291-H295 AromaticContact CE1-ND1 3.84Å; Y291-H295 AromaticContact CE2-CE1 3.47Å; Y291-H295 VanDerWaalsContact CE2-CE1 3.47Å; Y291-H295 WeakPolarHBondContact CE2-CE1 3.36Å; Y291-H295 AromaticContact CG-ND1 3.98Å; Y291-H295 AromaticContact CZ-CE1 3.58Å; Y291-H295 PolarHBondContact O-N 3.12Å; Y291-H295 PolarHBondContact O-ND1 3.33Å; Y291-T329 HydrophobicContact CE2-CG2 4.32Å; Y291-T329 PolarHBondContact OH-OG1 3.13Å; Y291-T347 HydrophobicContact CD1-CG2 3.45Å; Y291-T347 VanDerWaalsContact CD1-CG2 3.45Å; Y291-T347 HydrophobicContact CE1-CG2 3.61Å; Y291-T347 HydrophobicContact CG-CG2 3.94Å; Y291-E351 HydrophobicContact CD2-CG 4.22Å; Y291-E351 HydrophobicContact CE2-CG 4.25Å; Y291-E351 WeakPolarHBondContact CE2-OE1 3.48Å
292T94.9Very high95.2Very high11 Ų1124.2 Ų24.27%0.06712%0.117CC..Hα-helixtrans-63.9-48.5177.9-66.20000112.2V271 A281 E288 A289 F290 Y294 H295 I296V271-T292 HydrophobicContact CG2-CG2 3.61Å; A281-T292 HydrophobicContact CB-CG2 3.89Å; E288-T292 PolarHBondContact O-N 3.39Å; E288-T292 PolarHBondContact O-OG1 2.82Å; A289-T292 PolarHBondContact O-N 3.12Å; F290-T292 VanDerWaalsContact C-N 3.31Å; F290-T292 PolarHBondContact O-N 3.37Å; T292-Y294 VanDerWaalsContact C-N 3.34Å; T292-Y294 PolarHBondContact O-N 3.25Å; T292-H295 PolarHBondContact O-N 2.57Å; T292-I296 HydrophobicContact CG2-CD1 3.73Å; T292-I296 HydrophobicContact CG2-CG1 4.46Å; T292-I296 VanDerWaalsContact O-CG1 3.28Å; T292-I296 WeakPolarHBondContact O-CG1 3.13Å; T292-I296 PolarHBondContact O-N 3.47Å
293I95.4Very high95.1Very high0 Ų024.2 Ų24.20%012%0.117CC..Hα-helixtrans-67.4-33.2-178.9-155.368.3000112.8F131 W136 L213 L215 A281 A289 F290 I296 Q297F131-I293 HydrophobicContact CE2-CG2 4.2Å; F131-I293 HydrophobicContact CZ-CG2 3.94Å; W136-I293 HydrophobicContact CZ3-CG2 4.41Å; L213-I293 HydrophobicContact CB-CB 4.49Å; L213-I293 HydrophobicContact CB-CG2 4.41Å; L213-I293 HydrophobicContact CD1-CB 4.48Å; L213-I293 HydrophobicContact CD1-CG2 3.77Å; L215-I293 HydrophobicContact CB-CD1 3.83Å; L215-I293 HydrophobicContact CB-CG1 3.98Å; L215-I293 HydrophobicContact CD1-CG1 4.3Å; L215-I293 HydrophobicContact CD2-CG1 4.3Å; L215-I293 HydrophobicContact CG-CG1 4.43Å; A281-I293 HydrophobicContact CB-CB 3.81Å; A281-I293 HydrophobicContact CB-CD1 3.78Å; A281-I293 HydrophobicContact CB-CG1 4.33Å; A289-I293 PolarHBondContact O-N 3.22Å; F290-I293 PolarHBondContact O-N 2.71Å; I293-I296 HydrophobicContact CD1-CD1 4.11Å; I293-I296 HydrophobicContact CD1-CG2 4.49Å; I293-I296 PolarHBondContact O-N 3.22Å; I293-Q297 WeakPolarHBondContact O-CB 3.36Å; I293-Q297 PolarHBondContact O-N 2.95Å
294Y95.4Very high95.1Very high102 Ų10226 Ų2640%0.413%0.128SC..Hα-helixtrans-61.4-46.7175.2-175.9-82.2000111.8Y134 W136 F290 T292 Q297 A298Y134-Y294 AromaticContact CE2-CD2 3.89Å; Y134-Y294 HydrophobicContact CE2-CD2 3.89Å; Y134-Y294 AromaticContact CE2-CE2 3.8Å; Y134-Y294 HydrophobicContact CE2-CE2 3.8Å; Y134-Y294 AromaticContact CZ-CE2 3.97Å; W136-Y294 AromaticContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CG 4.4Å; W136-Y294 HydrophobicContact CZ2-CD2 4.45Å; F290-Y294 HydrophobicContact CE1-CD2 4.31Å; F290-Y294 VanDerWaalsContact O-CB 3.27Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.09Å; T292-Y294 VanDerWaalsContact C-N 3.34Å; T292-Y294 PolarHBondContact O-N 3.25Å; Y294-Q297 PolarHBondContact O-N 3.5Å; Y294-A298 PolarHBondContact O-N 3.29Å
295H95.1Very high95.2Very high28 Ų2825 Ų2513%0.1313%0.131CC..Hα-helixtrans-73.4-31.8178.2-66.191000112.5E236 V240 Y291 T292 A299E236-H295 HydrophobicContact CB-CB 4.34Å; V240-H295 HydrophobicContact CG2-CB 3.76Å; Y291-H295 AromaticContact CD1-ND1 3.82Å; Y291-H295 AromaticContact CD2-CE1 3.71Å; Y291-H295 AromaticContact CE1-CE1 3.9Å; Y291-H295 AromaticContact CE1-ND1 3.84Å; Y291-H295 AromaticContact CE2-CE1 3.47Å; Y291-H295 VanDerWaalsContact CE2-CE1 3.47Å; Y291-H295 WeakPolarHBondContact CE2-CE1 3.36Å; Y291-H295 AromaticContact CG-ND1 3.98Å; Y291-H295 AromaticContact CZ-CE1 3.58Å; Y291-H295 PolarHBondContact O-N 3.12Å; Y291-H295 PolarHBondContact O-ND1 3.33Å; T292-H295 PolarHBondContact O-N 2.57Å; H295-A299 WeakPolarHBondContact O-CB 3.32Å; H295-A299 PolarHBondContact O-N 3.14Å
296I95.4Very high95.2Very high0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-58.8-49.4169.9-72.9163.7000110.7T220 V240 V271 I279 A281 T292 I293 A298 A299 C300T220-I296 HydrophobicContact CG2-CG2 4.05Å; V240-I296 HydrophobicContact CB-CG1 4.34Å; V240-I296 HydrophobicContact CG1-CD1 4.19Å; V240-I296 HydrophobicContact CG1-CG1 3.59Å; V240-I296 HydrophobicContact CG2-CB 4.45Å; V240-I296 HydrophobicContact CG2-CG1 3.66Å; V271-I296 HydrophobicContact CB-CD1 4.29Å; V271-I296 HydrophobicContact CG1-CD1 3.5Å; V271-I296 VanDerWaalsContact CG1-CD1 3.5Å; V271-I296 HydrophobicContact CG1-CG1 4.35Å; V271-I296 HydrophobicContact CG2-CD1 3.81Å; I279-I296 HydrophobicContact CB-CG2 4.3Å; I279-I296 HydrophobicContact CD1-CG2 3.67Å; I279-I296 HydrophobicContact CG2-CD1 4.05Å; I279-I296 HydrophobicContact CG2-CG2 4Å; A281-I296 HydrophobicContact CB-CD1 4.29Å; T292-I296 HydrophobicContact CG2-CD1 3.73Å; T292-I296 HydrophobicContact CG2-CG1 4.46Å; T292-I296 VanDerWaalsContact O-CG1 3.28Å; T292-I296 WeakPolarHBondContact O-CG1 3.13Å; T292-I296 PolarHBondContact O-N 3.47Å; I293-I296 HydrophobicContact CD1-CD1 4.11Å; I293-I296 HydrophobicContact CD1-CG2 4.49Å; I293-I296 PolarHBondContact O-N 3.22Å; I296-A298 PolarHBondContact O-N 3.15Å; I296-A299 PolarHBondContact O-N 3.41Å; I296-C300 WeakPolarHBondContact O-CB 3.28Å; I296-C300 PolarHBondContact O-N 3.04Å; I296-C300 PolarHBondContact O-SG 2.98Å
297Q95.3Very high95.1Very high6 Ų626.5 Ų26.53%0.02814%0.141CC..Hα-helixtrans-58.7-49.1-178.7171.760.414.200111.2W136 L215 T217 I293 Y294 C300 Q301W136-Q297 HydrophobicContact CH2-CB 4.35Å; W136-Q297 HydrophobicContact CH2-CG 4.43Å; W136-Q297 HydrophobicContact CZ2-CB 4.09Å; W136-Q297 HydrophobicContact CZ2-CG 3.69Å; L215-Q297 HydrophobicContact CD2-CB 4.07Å; L215-Q297 HydrophobicContact CD2-CG 4.46Å; L215-Q297 VanDerWaalsContact CD2-OE1 3.28Å; T217-Q297 PolarHBondContact OG1-OE1 2.82Å; I293-Q297 WeakPolarHBondContact O-CB 3.36Å; I293-Q297 PolarHBondContact O-N 2.95Å; Y294-Q297 PolarHBondContact O-N 3.5Å; Q297-C300 PolarHBondContact O-N 3.07Å; Q297-Q301 VanDerWaalsContact NE2-NE2 3.12Å; Q297-Q301 WeakPolarHBondContact O-CG 3.33Å; Q297-Q301 PolarHBondContact O-N 3.01Å
298A95.9Very high94.9Very high23 Ų2331.2 Ų31.219%0.1917%0.174CC..Hα-helixtrans-61.6-46.4177.600000111.8E236 Y294 I296 C300 Q301 I302E236-A298 HydrophobicContact CB-CB 4.39Å; E236-A298 HydrophobicContact CG-CB 4Å; Y294-A298 PolarHBondContact O-N 3.29Å; I296-A298 PolarHBondContact O-N 3.15Å; A298-C300 VanDerWaalsContact C-N 3.33Å; A298-C300 PolarHBondContact O-N 3.37Å; A298-Q301 PolarHBondContact O-N 3.18Å; A298-I302 WeakPolarHBondContact O-CD1 3.48Å; A298-I302 VanDerWaalsContact O-CG1 3.26Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 3.24Å
299A95.8Very high94.8Very high2 Ų235.2 Ų35.22%0.01720%0.204CC..Hα-helixtrans-59.5-40.9177.200000112.5L230 E236 A237 H295 I296 I302 Q303L230-A299 HydrophobicContact CD1-CB 4.05Å; E236-A299 HydrophobicContact CB-CB 4.1Å; A237-A299 HydrophobicContact CB-CB 3.92Å; H295-A299 WeakPolarHBondContact O-CB 3.32Å; H295-A299 PolarHBondContact O-N 3.14Å; I296-A299 PolarHBondContact O-N 3.41Å; A299-I302 PolarHBondContact O-N 3.14Å; A299-Q303 WeakPolarHBondContact O-CB 3.41Å; A299-Q303 PolarHBondContact O-N 3.11Å
300C96.3Very high94.6Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-68.1-41.3177.1-64.90000112A219 T220 V223 I296 Q297 A298 Q303 V304A219-C300 HydrophobicContact CB-CB 4.08Å; T220-C300 HydrophobicContact CG2-CB 4.13Å; V223-C300 HydrophobicContact CB-CB 4.37Å; V223-C300 HydrophobicContact CG2-CB 3.84Å; I296-C300 WeakPolarHBondContact O-CB 3.28Å; I296-C300 PolarHBondContact O-N 3.04Å; I296-C300 PolarHBondContact O-SG 2.98Å; Q297-C300 PolarHBondContact O-N 3.07Å; A298-C300 VanDerWaalsContact C-N 3.33Å; A298-C300 PolarHBondContact O-N 3.37Å; C300-Q303 PolarHBondContact O-N 3.01Å; C300-V304 WeakPolarHBondContact O-CG2 3.44Å; C300-V304 PolarHBondContact O-N 3.08Å
301Q95.9Very high94Very high96 Ų9639.7 Ų39.745%0.44925%0.248SC..Hα-helixtrans-61.8-42.9174.6-74175.1-44.300111.8A219 Q297 A298 S305A219-Q301 HydrophobicContact CB-CG 3.72Å; Q297-Q301 VanDerWaalsContact NE2-NE2 3.12Å; Q297-Q301 WeakPolarHBondContact O-CG 3.33Å; Q297-Q301 PolarHBondContact O-N 3.01Å; A298-Q301 PolarHBondContact O-N 3.18Å; Q301-S305 WeakPolarHBondContact O-CB 3.46Å; Q301-S305 PolarHBondContact O-N 3.37Å; Q301-S305 VanDerWaalsContact O-N 3.12Å; Q301-S305 PolarHBondContact O-OG 3.49Å
302I95.6Very high93.5Very high66 Ų6639.8 Ų39.834%0.33826%0.256SS..Hα-helixtrans-63.5-48.2175.1-66.3162.6000110.4E236 A298 A299 V304 S305 A306E236-I302 HydrophobicContact CG-CD1 4.49Å; E236-I302 WeakPolarHBondContact OE2-CD1 3.38Å; A298-I302 WeakPolarHBondContact O-CD1 3.48Å; A298-I302 VanDerWaalsContact O-CG1 3.26Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 3.24Å; A299-I302 PolarHBondContact O-N 3.14Å; I302-V304 PolarHBondContact O-N 3.5Å; I302-S305 PolarHBondContact O-N 3.33Å; I302-A306 WeakPolarHBondContact O-CB 3.49Å; I302-A306 PolarHBondContact O-N 3.01Å
303Q95.5Very high93.1Very high1 Ų142.8 Ų42.81%0.00527%0.269CS..Hα-helixtrans-59.9-47.5-179.5172.2169.2-24.500112.8V223 M226 G229 L233 A299 C300 A306 L307V223-Q303 HydrophobicContact CG2-CB 4.43Å; V223-Q303 HydrophobicContact CG2-CG 4.24Å; M226-Q303 HydrophobicContact SD-CG 4.46Å; M226-Q303 PolarHBondContact SD-NE2 3.35Å; G229-Q303 PolarHBondContact O-NE2 3.15Å; G229-Q303 PolarHBondContact O-OE1 3.36Å; L233-Q303 HydrophobicContact CD1-CB 3.93Å; L233-Q303 HydrophobicContact CD1-CG 3.81Å; A299-Q303 WeakPolarHBondContact O-CB 3.41Å; A299-Q303 PolarHBondContact O-N 3.11Å; C300-Q303 PolarHBondContact O-N 3.01Å; Q303-A306 PolarHBondContact O-N 3.33Å; Q303-L307 HydrophobicContact CG-CD1 3.7Å; Q303-L307 HydrophobicContact CG-CG 4.41Å; Q303-L307 WeakPolarHBondContact O-CB 3.43Å; Q303-L307 WeakPolarHBondContact O-CG 3.43Å; Q303-L307 PolarHBondContact O-N 3.24Å
304V94.8Very high92.7Very high38 Ų3850.9 Ų50.923%0.2331%0.306CS..Hα-helixtrans-60.9-48.2177.8172.20000110.1A222 V223 M226 C300 I302 A306 L307 C308A222-V304 HydrophobicContact CB-CG2 4.06Å; V223-V304 HydrophobicContact CG2-CG2 3.98Å; M226-V304 HydrophobicContact CE-CG2 3.94Å; C300-V304 WeakPolarHBondContact O-CG2 3.44Å; C300-V304 PolarHBondContact O-N 3.08Å; I302-V304 PolarHBondContact O-N 3.5Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.04Å; V304-L307 PolarHBondContact O-N 2.99Å; V304-C308 WeakPolarHBondContact O-CB 3.48Å; V304-C308 PolarHBondContact O-N 3.23Å; V304-C308 PolarHBondContact O-SG 2.74Å
305S94.6Very high92.4Very high71 Ų7151.8 Ų51.850%0.49732%0.318SS..Hα-helixtrans-61.8-40.6179.4-52.70000112.5Q301 I302 S309Q301-S305 WeakPolarHBondContact O-CB 3.46Å; Q301-S305 PolarHBondContact O-N 3.37Å; Q301-S305 VanDerWaalsContact O-N 3.12Å; Q301-S305 PolarHBondContact O-OG 3.49Å; I302-S305 PolarHBondContact O-N 3.33Å; S305-S309 WeakPolarHBondContact O-CB 3.23Å; S305-S309 PolarHBondContact O-N 3.4Å; S305-S309 VanDerWaalsContact O-N 3.13Å; S305-S309 PolarHBondContact O-OG 2.91Å
306A94.2Very high92.2Very high25 Ų2552.1 Ų52.121%0.20732%0.321CS..Hα-helixtrans-66.9-47.5178.600000111.6I302 Q303 V304 C308 S309 S310 L316I302-A306 WeakPolarHBondContact O-CB 3.49Å; I302-A306 PolarHBondContact O-N 3.01Å; Q303-A306 PolarHBondContact O-N 3.33Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.04Å; A306-C308 PolarHBondContact O-N 2.75Å; A306-S309 CarbonylContact O-C 3.59Å; A306-S309 PolarHBondContact O-N 3.41Å; A306-S310 WeakPolarHBondContact O-CB 3.4Å; A306-S310 PolarHBondContact O-N 2.99Å; A306-S310 PolarHBondContact O-OG 2.78Å; A306-L316 HydrophobicContact CB-CD1 4.31Å; A306-L316 HydrophobicContact CB-CD2 3.99Å
307L92.6Very high92Very high29 Ų2959.3 Ų59.315%0.15236%0.358CS..Hα-helixtrans-63.1-40.2178.5-74.5167.2000112.4M226 Q303 V304 S309 G311 E313 L316M226-L307 HydrophobicContact CE-CD1 3.8Å; M226-L307 HydrophobicContact SD-CD1 3.54Å; M226-L307 VanDerWaalsContact SD-CD1 3.54Å; Q303-L307 HydrophobicContact CG-CD1 3.7Å; Q303-L307 HydrophobicContact CG-CG 4.41Å; Q303-L307 WeakPolarHBondContact O-CB 3.43Å; Q303-L307 WeakPolarHBondContact O-CG 3.43Å; Q303-L307 PolarHBondContact O-N 3.24Å; V304-L307 PolarHBondContact O-N 2.99Å; L307-S309 VanDerWaalsContact C-N 3.25Å; L307-S309 PolarHBondContact O-N 3.03Å; L307-G311 PolarHBondContact O-N 2.85Å; L307-E313 HydrophobicContact CD2-CB 3.91Å; L307-L316 HydrophobicContact CD2-CD1 3.59Å; L307-L316 HydrophobicContact CG-CD1 3.94Å
308C90.5Very high91.8Very high108 Ų10863.2 Ų63.273%0.7338%0.377SS*.Hα-helixtrans-63.3-30.7172.8-70.40000112.8V304 A306V304-C308 WeakPolarHBondContact O-CB 3.48Å; V304-C308 PolarHBondContact O-N 3.23Å; V304-C308 PolarHBondContact O-SG 2.74Å; A306-C308 PolarHBondContact O-N 2.75Å
309S91.3Very high91.4Very high106 Ų10664.4 Ų64.474%0.74138%0.38SS*.Hα-helixtrans-88.3-30-178.8-54.90000113.5S305 A306 L307S305-S309 WeakPolarHBondContact O-CB 3.23Å; S305-S309 PolarHBondContact O-N 3.4Å; S305-S309 VanDerWaalsContact O-N 3.13Å; S305-S309 PolarHBondContact O-OG 2.91Å; A306-S309 CarbonylContact O-C 3.59Å; A306-S309 PolarHBondContact O-N 3.41Å; L307-S309 VanDerWaalsContact C-N 3.25Å; L307-S309 PolarHBondContact O-N 3.03Å
310S90.9Very high90.9Very high25 Ų2568.1 Ų68.118%0.17540%0.399CS..Hα-helixtrans-88.4-14.5-176.8700000113.9A306 G312 N315 L316A306-S310 WeakPolarHBondContact O-CB 3.4Å; A306-S310 PolarHBondContact O-N 2.99Å; A306-S310 PolarHBondContact O-OG 2.78Å; S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.89Å; S310-G312 PolarHBondContact OG-O 3.36Å; S310-N315 WeakPolarHBondContact O-CB 3.33Å; S310-N315 PolarHBondContact O-ND2 3.05Å; S310-L316 VanDerWaalsContact CB-CD2 3.49Å
311G84.2Confident90.1Very high74 Ų7472 Ų7276%0.76341%0.414SS*.THydrogen-bonded Turntrans72.512.9-17300000114.2L307L307-G311 PolarHBondContact O-N 2.85Å
312G84.6Confident89.2Confident25 Ų2570.6 Ų70.626%0.25842%0.419SS..SBendtrans146.5165.9177.600000114.6S310 H314 N315S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.89Å; S310-G312 PolarHBondContact OG-O 3.36Å; G312-H314 VanDerWaalsContact C-N 3.34Å; G312-H314 PolarHBondContact O-N 3.4Å; G312-N315 PolarHBondContact O-N 3.41Å
313E86.3Confident88.4Confident73 Ų7373.6 Ų73.634%0.34143%0.434SS..G310 helixtrans-66.8-29.2-174.860.7179.7-145.800113.9S228 L231 L307 N315 L316S228-E313 VanDerWaalsContact CB-OE2 3.25Å; S228-E313 WeakPolarHBondContact CB-OE2 3.34Å; S228-E313 PolarHBondContact OG-OE2 2.81Å; L231-E313 HydrophobicContact CD1-CB 4.44Å; L307-E313 HydrophobicContact CD2-CB 3.91Å; E313-N315 PolarHBondContact O-N 2.95Å; E313-L316 PolarHBondContact O-N 3.45Å; E313-L316 VanDerWaalsContact O-N 3.16Å
314H86.2Confident87.1Confident170 Ų17078.2 Ų78.279%0.78746%0.456SS*.G310 helixtrans-68.4-17.8-178.9-51.3-33000113.8G312G312-H314 VanDerWaalsContact C-N 3.34Å; G312-H314 PolarHBondContact O-N 3.4Å
315N89.5Confident85.6Confident121 Ų12183.9 Ų83.965%0.64748%0.477SS*.G310 helixtrans-94.66.2178.2-67.3-16.8000112.5S310 G312 E313S310-N315 WeakPolarHBondContact O-CB 3.33Å; S310-N315 PolarHBondContact O-ND2 3.05Å; G312-N315 PolarHBondContact O-N 3.41Å; E313-N315 PolarHBondContact O-N 2.95Å
316L91.1Very high84.1Confident36 Ų3682.5 Ų82.519%0.18847%0.467CS..SBendtrans-104141.6-179.1-63.8178.5000112.1L233 A306 L307 S310 E313 M318L233-L316 HydrophobicContact CD1-CD1 3.78Å; L233-L316 HydrophobicContact CD2-CB 3.67Å; L233-L316 HydrophobicContact CD2-CD1 3.76Å; L233-L316 HydrophobicContact CD2-CG 4.27Å; L233-L316 HydrophobicContact CG-CD1 4.45Å; A306-L316 HydrophobicContact CB-CD1 4.31Å; A306-L316 HydrophobicContact CB-CD2 3.99Å; L307-L316 HydrophobicContact CD2-CD1 3.59Å; L307-L316 HydrophobicContact CG-CD1 3.94Å; S310-L316 VanDerWaalsContact CB-CD2 3.49Å; E313-L316 PolarHBondContact O-N 3.45Å; E313-L316 VanDerWaalsContact O-N 3.16Å; L316-M318 PolarHBondContact O-N 3.29Å
317I90.7Very high82.4Confident150 Ų15088.1 Ų88.177%0.76949%0.493SS*.  trans-84.6112.5174.7-60.1171.9000108.4
318M90.6Very high80.6Confident88 Ų8891.4 Ų91.443%0.43352%0.517SS..  trans-79.8136.2175.1-63-66.8-159.800111.2L231 P232 L233 L316L231-M318 HydrophobicContact CB-CE 4.33Å; L231-M318 HydrophobicContact CB-SD 4.3Å; L231-M318 HydrophobicContact CD1-CE 4.03Å; L231-M318 HydrophobicContact CD2-CE 3.76Å; L231-M318 HydrophobicContact CG-CE 4.25Å; P232-M318 HydrophobicContact CG-SD 4.18Å; L233-M318 HydrophobicContact CD2-SD 3.78Å; L233-M318 HydrophobicContact CG-SD 4.44Å; L316-M318 PolarHBondContact O-N 3.29Å
319L89.1Confident78.7Confident49 Ų4988.4 Ų88.426%0.25750%0.495SS..  trans-86.4128.9173.5-56.5175.8000110.5P232 L238 R321P232-L319 WeakPolarHBondContact O-CB 3.48Å; P232-L319 PolarHBondContact O-N 2.85Å; L238-L319 HydrophobicContact CD1-CB 4.01Å; L238-L319 HydrophobicContact CD1-CD1 3.76Å; L238-L319 HydrophobicContact CD2-CB 4.36Å; L238-L319 HydrophobicContact CG-CD1 4.4Å; L319-R321 PolarHBondContact O-N 3.09Å
320D84.2Confident76.6Confident79 Ų7984.7 Ų84.742%0.42247%0.473SS..  trans-72.7115.1174.5-178.69.4000111.2A322 I323 H324D320-A322 PolarHBondContact O-N 3.29Å; D320-A322 VanDerWaalsContact O-N 3.16Å; D320-A322 WeakPolarHBondContact OD1-CB 3.45Å; D320-A322 PolarHBondContact OD1-N 2.98Å; D320-I323 HydrophobicContact CB-CB 4.26Å; D320-I323 HydrophobicContact CB-CD1 4.11Å; D320-I323 HydrophobicContact CB-CG1 4.3Å; D320-I323 PolarHBondContact O-N 2.98Å; D320-I323 WeakPolarHBondContact OD2-CD1 3.19Å; D320-I323 WeakPolarHBondContact OD2-CG1 3.4Å; D320-H324 PolarHBondContact O-N 3.47Å
321R80.6Confident74.2Confident82 Ų8288.8 Ų88.831%0.30950%0.497SS..THydrogen-bonded Turntrans-58.8-17.3172.7-76178.6165.4-131.7-12114P232 A237 L238 G241 D242 L319 K325P232-R321 HydrophobicContact CB-CG 4.34Å; A237-R321 PolarHBondContact O-NH2 2.89Å; L238-R321 HydrophobicContact CD2-CB 4.44Å; L238-R321 HydrophobicContact CD2-CG 3.56Å; G241-R321 VanDerWaalsContact O-CZ 3.23Å; G241-R321 PolarHBondContact O-NH1 2.87Å; G241-R321 PolarHBondContact O-NH2 3.39Å; D242-R321 IonicContact OD1-NH1 3.09Å; D242-R321 PolarHBondContact OD1-NH1 3.43Å; L319-R321 PolarHBondContact O-N 3.09Å; R321-K325 VanDerWaalsContact O-CE 3.27Å; R321-K325 WeakPolarHBondContact O-CE 3.41Å; R321-K325 WeakPolarHBondContact O-CG 3.33Å
322A76.9Confident72.3Confident67 Ų6788.7 Ų88.755%0.55448%0.482SS*.THydrogen-bonded Turntrans-84.1-40.2174.900000112.7D320D320-A322 PolarHBondContact O-N 3.29Å; D320-A322 VanDerWaalsContact O-N 3.16Å; D320-A322 WeakPolarHBondContact OD1-CB 3.45Å; D320-A322 PolarHBondContact OD1-N 2.98Å
323I77.3Confident70.3Confident128 Ų12892.3 Ų92.366%0.65650%0.503SS*.THydrogen-bonded Turntrans-78.8-48.8179.4-65.6168.2000110.8D320 K325D320-I323 HydrophobicContact CB-CB 4.26Å; D320-I323 HydrophobicContact CB-CD1 4.11Å; D320-I323 HydrophobicContact CB-CG1 4.3Å; D320-I323 PolarHBondContact O-N 2.98Å; D320-I323 WeakPolarHBondContact OD2-CD1 3.19Å; D320-I323 WeakPolarHBondContact OD2-CG1 3.4Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.93Å
324H69.1Low68.2Low98 Ų9899.1 Ų99.145%0.45453%0.526SS..SBendtrans-95.136.8-172.9-60.9-79000112.7L238 D320 P326L238-H324 HydrophobicContact CD1-CB 3.63Å; D320-H324 PolarHBondContact O-N 3.47Å; H324-P326 VanDerWaalsContact O-CD 3.27Å; H324-P326 WeakPolarHBondContact O-CD 3.2Å; H324-P326 VanDerWaalsContact O-N 3.11Å
325K63.9Low65.9Low158 Ų15894.3 Ų94.369%0.68752%0.515SS*.PPolyproline II helixtrans-59118176-74.4-165.2178-163.40109.8R321 I323 N327R321-K325 VanDerWaalsContact O-CE 3.27Å; R321-K325 WeakPolarHBondContact O-CE 3.41Å; R321-K325 WeakPolarHBondContact O-CG 3.33Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.93Å; K325-N327 PolarHBondContact O-N 3.43Å
326P62.3Low63.8Low42 Ų4289.9 Ų89.927%0.27350%0.499SS..PPolyproline II helixtrans-62.4136.9172.325.9-31.7000108.6L239 H324L239-P326 HydrophobicContact CD2-CB 3.51Å; L239-P326 HydrophobicContact CD2-CG 4Å; L239-P326 HydrophobicContact CG-CB 4.28Å; L239-P326 HydrophobicContact CG-CG 4.5Å; H324-P326 VanDerWaalsContact O-CD 3.27Å; H324-P326 WeakPolarHBondContact O-CD 3.2Å; H324-P326 VanDerWaalsContact O-N 3.11Å
327N58.8Low61.7Low142 Ų14294.5 Ų94.576%0.75953%0.534SS*.PPolyproline II helixtrans-62.6127.9178.3-142.61000107.8K325 T329K325-N327 PolarHBondContact O-N 3.43Å; N327-T329 PolarHBondContact O-N 3.04Å
328P55.1Low59.8Low99 Ų9992.9 Ų92.964%0.64353%0.531SS*.  trans-58.5115.1-169.520.5-32.7000111.5G330P328-G330 PolarHBondContact O-N 3.33Å
329T49.8Very low57.8Low45 Ų4596.3 Ų96.328%0.27654%0.544SS..THydrogen-bonded Turntrans-60.7100.5-172.1-470000110.4Y291 N327 T347Y291-T329 HydrophobicContact CE2-CG2 4.32Å; Y291-T329 PolarHBondContact OH-OG1 3.13Å; N327-T329 PolarHBondContact O-N 3.04Å; T329-T347 WeakPolarHBondContact O-CA 3.39Å; T329-T347 PolarHBondContact O-N 3.21Å; T329-T347 PolarHBondContact O-OG1 3.47Å
330G46.7Very low55.8Low28 Ų2896.9 Ų96.929%0.28956%0.562SS.*THydrogen-bonded Turntrans162-11.3-169.900000114.5P328 S345P328-G330 PolarHBondContact O-N 3.33Å; G330-S345 VanDerWaalsContact CA-O 3.27Å; G330-S345 WeakPolarHBondContact CA-O 3.49Å
331T41.6Very low53.9Low111 Ų11199.4 Ų99.468%0.68158%0.582SS**  trans-100.773.5170.3-43.90000110.9S333T331-S333 PolarHBondContact O-N 3.45Å
332V43.3Very low52.5Low71 Ų71101.6 Ų101.643%0.4360%0.6SS.*  trans-71.583.6171.3-177.30000109.3W334V332-W334 PolarHBondContact O-N 2.83Å
333S42.8Very low51.5Low101 Ų101105.4 Ų105.471%0.70661%0.606SS**  trans-97.566.3177.11790000111.3T331T331-S333 PolarHBondContact O-N 3.45Å
334W43.3Very low50.7Low217 Ų217108 Ų10882%0.82261%0.612SS**  trans-175.8122.7136.9-165-128.3000112.6V332V332-W334 PolarHBondContact O-N 2.83Å
335A38.2Very low50.7Low68 Ų68103.8 Ų103.856%0.56259%0.594SS**  trans-149.1103.1156.200000106.9S337A335-S337 PolarHBondContact O-N 3.13Å
336G45.1Very low51.6Low29 Ų29102.7 Ų102.730%0.29959%0.585SS.*  trans-66.7122.2-16200000115T338G336-T338 PolarHBondContact O-N 3.09Å; G336-T338 PolarHBondContact O-OG1 3.4Å
337S45.8Very low52.7Low133 Ų133102.5 Ų102.593%0.9358%0.584SS**SBendtrans56.5-9.3158-139.50000120.1A335A335-S337 PolarHBondContact O-N 3.13Å
338T51.6Low54Low115 Ų11595.8 Ų95.871%0.70655%0.548SS*.SBendtrans-120.3-14.4-16446.90000114.6G336G336-T338 PolarHBondContact O-N 3.09Å; G336-T338 PolarHBondContact O-OG1 3.4Å
339F47.3Very low55.7Low160 Ų16092.7 Ų92.770%0.70253%0.525SS*.SBendtrans-108.7147.2174.3-66.6-91000110.1
340G48.4Very low57.4Low62 Ų6293.7 Ų93.764%0.63953%0.526SS*.  trans-74.2-161.1-168.600000115.4L342G340-L342 PolarHBondContact O-N 3.39Å
341P43.8Very low59.5Low131 Ų13195.9 Ų95.985%0.85153%0.529SS*.SBendtrans-49.2121.9-177.3-29.436.3000113.1H343P341-H343 PolarHBondContact O-N 3.18Å
342L50.6Low61.9Low129 Ų12990.6 Ų90.668%0.67550%0.496SS*.  trans-62.5106.2-172-177.166.9000111.3G340 K344G340-L342 PolarHBondContact O-N 3.39Å; L342-K344 PolarHBondContact O-N 2.8Å
343H56Low64.2Low147 Ų14787.4 Ų87.468%0.68148%0.477SS*.  trans-64.8117.8165.5-104.7-77000109P341 S345P341-H343 PolarHBondContact O-N 3.18Å; H343-S345 PolarHBondContact O-N 2.88Å
344K62.1Low66.5Low181 Ų18184.3 Ų84.379%0.78746%0.457SS*.  trans-58.3134.1166.9-64.1-175.3179.3-175.50108.9L342 R371L342-K344 PolarHBondContact O-N 2.8Å; K344-R371 PolarHBondContact O-NH2 3.18Å; K344-R371 VanDerWaalsContact O-NH2 3.14Å
345S67.6Low68.9Low10 Ų1075.4 Ų75.47%0.0743%0.426CS..  trans-106.3142.6175.4-139.10000108.4G330 H343 E349 H350 R371G330-S345 VanDerWaalsContact CA-O 3.27Å; G330-S345 WeakPolarHBondContact CA-O 3.49Å; H343-S345 PolarHBondContact O-N 2.88Å; S345-E349 WeakPolarHBondContact CA-OE2 3.29Å; S345-E349 PolarHBondContact OG-OE2 2.98Å; S345-H350 WeakPolarHBondContact CB-NE2 3.36Å; S345-H350 PolarHBondContact OG-CD2 3.05Å; S345-H350 VanDerWaalsContact OG-CD2 3.25Å; S345-H350 PolarHBondContact OG-CE1 2.92Å; S345-H350 PolarHBondContact OG-NE2 3.29Å; S345-R371 PolarHBondContact OG-NH1 3.19Å
346R82.9Confident71.6Confident136 Ų13672.2 Ų72.251%0.51340%0.399SS..  trans-83.5161170.5-57.8176167.9-116.11.2110E284 G348 E349E284-R346 IonicContact OE2-CZ 3.85Å; E284-R346 IonicContact OE2-NH1 2.86Å; E284-R346 PolarHBondContact OE2-NH1 2.93Å; R346-G348 PolarHBondContact O-N 3.39Å; R346-E349 HydrophobicContact CB-CG 3.91Å; R346-E349 WeakPolarHBondContact CD-OE1 3.48Å; R346-E349 PolarHBondContact N-OE2 2.83Å; R346-E349 WeakPolarHBondContact O-CB 3.46Å; R346-E349 PolarHBondContact O-N 2.88Å; R346-E349 VanDerWaalsContact O-N 3.13Å
347T85.5Confident73.8Confident38 Ų3874 Ų7423%0.23340%0.397CS..THydrogen-bonded Turntrans-44.9126.1170-49.20000111.1Y291 T329 E349Y291-T347 HydrophobicContact CD1-CG2 3.45Å; Y291-T347 VanDerWaalsContact CD1-CG2 3.45Å; Y291-T347 HydrophobicContact CE1-CG2 3.61Å; Y291-T347 HydrophobicContact CG-CG2 3.94Å; T329-T347 WeakPolarHBondContact O-CA 3.39Å; T329-T347 PolarHBondContact O-N 3.21Å; T329-T347 PolarHBondContact O-OG1 3.47Å; T347-E349 VanDerWaalsContact C-N 3.3Å; T347-E349 PolarHBondContact O-N 3.24Å
348G87.4Confident75.9Confident1 Ų171 Ų711%0.0137%0.373CS..THydrogen-bonded Turntrans80.9-11.2176.500000116.6R346 H350 E351 F352R346-G348 PolarHBondContact O-N 3.39Å; G348-H350 VanDerWaalsContact C-N 3.31Å; G348-H350 PolarHBondContact O-N 3.38Å; G348-E351 WeakPolarHBondContact CA-OE2 3.5Å; G348-E351 PolarHBondContact O-N 3.05Å; G348-F352 WeakPolarHBondContact O-CB 3.36Å; G348-F352 PolarHBondContact O-N 3.44Å
349E89.1Confident77.9Confident34 Ų3465.6 Ų65.616%0.15934%0.34CS..Hα-helixtrans-63.9-32.5-175.2-78.8-179162.800113.2E287 S345 R346 T347 E353 R371E287-E349 HydrophobicContact CB-CG 4.33Å; E287-E349 HydrophobicContact CG-CG 4.29Å; S345-E349 WeakPolarHBondContact CA-OE2 3.29Å; S345-E349 PolarHBondContact OG-OE2 2.98Å; R346-E349 HydrophobicContact CB-CG 3.91Å; R346-E349 WeakPolarHBondContact CD-OE1 3.48Å; R346-E349 PolarHBondContact N-OE2 2.83Å; R346-E349 WeakPolarHBondContact O-CB 3.46Å; R346-E349 PolarHBondContact O-N 2.88Å; R346-E349 VanDerWaalsContact O-N 3.13Å; T347-E349 VanDerWaalsContact C-N 3.3Å; T347-E349 PolarHBondContact O-N 3.24Å; E349-E353 VanDerWaalsContact O-CB 3.23Å; E349-E353 WeakPolarHBondContact O-CB 3.31Å; E349-E353 PolarHBondContact O-N 3.45Å; E349-R371 IonicContact OE2-CZ 2.61Å; E349-R371 IonicContact OE2-NH1 2.66Å; E349-R371 PolarHBondContact OE2-NH1 3.11Å; E349-R371 IonicContact OE2-NH2 3.5Å
350H86.8Confident79.9Confident65 Ų6559.7 Ų59.730%0.30132%0.315SS..Hα-helixtrans-81.2-39.3179.7-70.1-62.9000112.3S345 G348 E353 A354 F372S345-H350 WeakPolarHBondContact CB-NE2 3.36Å; S345-H350 PolarHBondContact OG-CD2 3.05Å; S345-H350 VanDerWaalsContact OG-CD2 3.25Å; S345-H350 PolarHBondContact OG-CE1 2.92Å; S345-H350 PolarHBondContact OG-NE2 3.29Å; G348-H350 VanDerWaalsContact C-N 3.31Å; G348-H350 PolarHBondContact O-N 3.38Å; H350-E353 PolarHBondContact O-N 3.18Å; H350-A354 WeakPolarHBondContact O-CB 3.43Å; H350-A354 PolarHBondContact O-N 3.18Å; H350-F372 AromaticContact CE1-CE2 3.79Å
351E89.9Confident81.8Confident74 Ų7461.9 Ų61.935%0.34631%0.312SS..Hα-helixtrans-66.2-48.3179-60.885.4163.300109.8Y291 G348 A354 L355Y291-E351 HydrophobicContact CD2-CG 4.22Å; Y291-E351 HydrophobicContact CE2-CG 4.25Å; Y291-E351 WeakPolarHBondContact CE2-OE1 3.48Å; G348-E351 WeakPolarHBondContact CA-OE2 3.5Å; G348-E351 PolarHBondContact O-N 3.05Å; E351-A354 WeakPolarHBondContact O-CB 3.37Å; E351-A354 PolarHBondContact O-N 3.32Å; E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 2.99Å
352F93.4Very high84Confident1 Ų160.1 Ų60.10%0.00430%0.296CS..Hα-helixtrans-63.1-44.8174.9-163.5-88.9000111.3K123 M286 E287 F290 G348 A354 L355 M356 Y368K123-F352 HydrophobicContact CB-CZ 4.45Å; K123-F352 HydrophobicContact CG-CE1 4.21Å; M286-F352 HydrophobicContact CG-CE2 4.21Å; M286-F352 HydrophobicContact CG-CZ 4.1Å; E287-F352 HydrophobicContact CB-CB 3.97Å; E287-F352 HydrophobicContact CB-CG 4.26Å; E287-F352 HydrophobicContact CG-CB 3.75Å; E287-F352 HydrophobicContact CG-CD1 3.9Å; E287-F352 HydrophobicContact CG-CD2 4.48Å; E287-F352 HydrophobicContact CG-CG 3.8Å; F290-F352 HydrophobicContact CB-CD2 3.97Å; F290-F352 HydrophobicContact CB-CE2 4.15Å; F290-F352 HydrophobicContact CD1-CD2 4.11Å; F290-F352 HydrophobicContact CD2-CE2 4.44Å; F290-F352 AromaticContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CE2 4.14Å; G348-F352 WeakPolarHBondContact O-CB 3.36Å; G348-F352 PolarHBondContact O-N 3.44Å; F352-A354 PolarHBondContact O-N 3.36Å; F352-L355 PolarHBondContact O-N 2.98Å; F352-L355 VanDerWaalsContact O-N 3.07Å; F352-M356 HydrophobicContact CD1-CE 4.01Å; F352-M356 HydrophobicContact CD1-CG 3.91Å; F352-M356 HydrophobicContact CD1-SD 4.2Å; F352-M356 HydrophobicContact CE1-CE 3.52Å; F352-M356 HydrophobicContact CE1-CG 3.87Å; F352-M356 HydrophobicContact CE1-SD 3.56Å; F352-M356 VanDerWaalsContact CE1-SD 3.56Å; F352-M356 HydrophobicContact CE2-CE 4.14Å; F352-M356 HydrophobicContact CZ-CE 3.59Å; F352-M356 HydrophobicContact CZ-SD 4.1Å; F352-M356 WeakPolarHBondContact O-CG 3.38Å; F352-M356 PolarHBondContact O-N 3.49Å; F352-Y368 AromaticContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CE1-CD2 4.32Å; F352-Y368 AromaticContact CE1-CE2 3.86Å; F352-Y368 HydrophobicContact CE1-CE2 3.86Å
353E91.4Very high85.8Confident3 Ų355 Ų551%0.01427%0.273CS..Hα-helixtrans-61.8-30.5175.6-171.4174.3138.100112.4E349 H350 R357 Y368 Y370 R371 F372E349-E353 VanDerWaalsContact O-CB 3.23Å; E349-E353 WeakPolarHBondContact O-CB 3.31Å; E349-E353 PolarHBondContact O-N 3.45Å; H350-E353 PolarHBondContact O-N 3.18Å; E353-R357 PolarHBondContact O-N 3.48Å; E353-R357 IonicContact OE1-NH1 2.96Å; E353-Y368 HydrophobicContact CB-CE1 4.1Å; E353-Y368 HydrophobicContact CG-CD1 4.4Å; E353-Y368 HydrophobicContact CG-CE1 3.77Å; E353-Y370 HydrophobicContact CG-CD1 3.53Å; E353-Y370 HydrophobicContact CG-CE1 4.02Å; E353-R371 VanDerWaalsContact CD-N 3.33Å; E353-R371 PolarHBondContact OE1-N 3.09Å; E353-R371 VanDerWaalsContact OE1-N 3.08Å; E353-R371 WeakPolarHBondContact OE2-CB 3.24Å; E353-R371 WeakPolarHBondContact OE2-CG 3.47Å; E353-R371 PolarHBondContact OE2-N 3.41Å; E353-F372 PolarHBondContact OE1-N 3.25Å
354A90.6Very high87.4Confident36 Ų3649.3 Ų49.330%0.29825%0.246SC..Hα-helixtrans-68.5-41.6171.400000112.7H350 E351 F352 M356 R357 T358H350-A354 WeakPolarHBondContact O-CB 3.43Å; H350-A354 PolarHBondContact O-N 3.18Å; E351-A354 WeakPolarHBondContact O-CB 3.37Å; E351-A354 PolarHBondContact O-N 3.32Å; F352-A354 PolarHBondContact O-N 3.36Å; A354-M356 VanDerWaalsContact C-N 3.34Å; A354-M356 PolarHBondContact O-N 2.91Å; A354-R357 VanDerWaalsContact CA-NH2 3.35Å; A354-R357 WeakPolarHBondContact O-CB 3.45Å; A354-R357 PolarHBondContact O-N 2.9Å; A354-T358 PolarHBondContact O-N 3.16Å; A354-T358 VanDerWaalsContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.38Å
355L93.6Very high88.7Confident31 Ų3147.7 Ų47.716%0.16224%0.235CC..Hα-helixtrans-67-34.1176.8-65.8173000112.6L130 Y134 F290 E351 F352 R357 T358 L359L130-L355 HydrophobicContact CD1-CB 4.07Å; L130-L355 HydrophobicContact CD1-CD1 4.24Å; L130-L355 HydrophobicContact CD2-CB 4.2Å; L130-L355 HydrophobicContact CD2-CD2 4.44Å; Y134-L355 VanDerWaalsContact OH-CD2 3.26Å; Y134-L355 WeakPolarHBondContact OH-CD2 3.45Å; F290-L355 HydrophobicContact CD1-CD1 4.15Å; F290-L355 HydrophobicContact CE1-CD1 3.3Å; F290-L355 HydrophobicContact CZ-CD1 3.86Å; E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 2.99Å; F352-L355 PolarHBondContact O-N 2.98Å; F352-L355 VanDerWaalsContact O-N 3.07Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 3.38Å; L355-T358 WeakPolarHBondContact O-CB 3.37Å; L355-T358 PolarHBondContact O-N 3.41Å; L355-T358 VanDerWaalsContact O-N 3.15Å; L355-L359 PolarHBondContact O-N 3.27Å
356M94.4Very high89.9Confident0 Ų047.2 Ų47.20%023%0.232CC..Hα-helixtrans-62.5-40172.3-60.2-61.4100.200111.6L130 F352 A354 T358 L359 D360 T366 Y368 Y370L130-M356 HydrophobicContact CD1-CE 3.73Å; F352-M356 HydrophobicContact CD1-CE 4.01Å; F352-M356 HydrophobicContact CD1-CG 3.91Å; F352-M356 HydrophobicContact CD1-SD 4.2Å; F352-M356 HydrophobicContact CE1-CE 3.52Å; F352-M356 HydrophobicContact CE1-CG 3.87Å; F352-M356 HydrophobicContact CE1-SD 3.56Å; F352-M356 VanDerWaalsContact CE1-SD 3.56Å; F352-M356 HydrophobicContact CE2-CE 4.14Å; F352-M356 HydrophobicContact CZ-CE 3.59Å; F352-M356 HydrophobicContact CZ-SD 4.1Å; F352-M356 WeakPolarHBondContact O-CG 3.38Å; F352-M356 PolarHBondContact O-N 3.49Å; A354-M356 VanDerWaalsContact C-N 3.34Å; A354-M356 PolarHBondContact O-N 2.91Å; M356-T358 VanDerWaalsContact C-N 3.3Å; M356-T358 PolarHBondContact O-N 3.45Å; M356-L359 HydrophobicContact CE-CD1 3.72Å; M356-L359 PolarHBondContact O-N 2.91Å; M356-L359 HydrophobicContact SD-CD1 4.3Å; M356-D360 PolarHBondContact O-N 2.74Å; M356-T366 HydrophobicContact CB-CG2 4.4Å; M356-T366 HydrophobicContact SD-CG2 3.94Å; M356-Y368 HydrophobicContact CB-CD1 4.24Å; M356-Y368 HydrophobicContact CB-CD2 4.33Å; M356-Y368 HydrophobicContact CB-CG 3.95Å; M356-Y368 HydrophobicContact CG-CD1 4.15Å; M356-Y368 HydrophobicContact CG-CD2 3.49Å; M356-Y368 VanDerWaalsContact CG-CD2 3.49Å; M356-Y368 HydrophobicContact CG-CE2 3.89Å; M356-Y368 HydrophobicContact CG-CG 3.61Å; M356-Y368 HydrophobicContact SD-CD2 3.96Å; M356-Y368 HydrophobicContact SD-CG 4.4Å; M356-Y370 HydrophobicContact CB-CE1 3.98Å; M356-Y370 WeakPolarHBondContact CB-OH 3.36Å; M356-Y370 PolarHBondContact O-OH 3.03Å; M356-Y370 VanDerWaalsContact O-OH 3.12Å
357R91.2Very high90Very high67 Ų6742.6 Ų42.625%0.25323%0.226SC..Hα-helixtrans-61.3-38.8172.8-67.7-173.8-70.2-95.40.5111.7E353 A354 L355 D360 N361 Y370E353-R357 PolarHBondContact O-N 3.48Å; E353-R357 IonicContact OE1-NH1 2.96Å; A354-R357 VanDerWaalsContact CA-NH2 3.35Å; A354-R357 WeakPolarHBondContact O-CB 3.45Å; A354-R357 PolarHBondContact O-N 2.9Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 3.38Å; R357-D360 PolarHBondContact O-N 3.38Å; R357-N361 WeakPolarHBondContact O-CB 3.48Å; R357-N361 PolarHBondContact O-N 3.04Å; R357-N361 PolarHBondContact O-ND2 3.37Å; R357-Y370 HydrophobicContact CB-CE1 4.44Å; R357-Y370 HydrophobicContact CG-CD1 3.99Å; R357-Y370 HydrophobicContact CG-CE1 3.38Å; R357-Y370 PolarHBondContact N-OH 2.75Å
358T90.6Very high90.2Very high71 Ų7141.8 Ų41.844%0.43622%0.219SC..Hα-helixtrans-63-46.8175.3-55.50000111.4A354 L355 M356 N361 L362A354-T358 PolarHBondContact O-N 3.16Å; A354-T358 VanDerWaalsContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.38Å; L355-T358 WeakPolarHBondContact O-CB 3.37Å; L355-T358 PolarHBondContact O-N 3.41Å; L355-T358 VanDerWaalsContact O-N 3.15Å; M356-T358 VanDerWaalsContact C-N 3.3Å; M356-T358 PolarHBondContact O-N 3.45Å; T358-N361 PolarHBondContact O-N 3.33Å; T358-L362 HydrophobicContact CG2-CD1 4.12Å; T358-L362 WeakPolarHBondContact O-CB 3.31Å; T358-L362 VanDerWaalsContact O-CG 3.32Å; T358-L362 WeakPolarHBondContact O-CG 3.43Å; T358-L362 PolarHBondContact O-N 3.19Å
359L92.6Very high90.1Very high0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-61.2-44.4175.3-69.7178.4000112.5I102 R129 L130 L133 L355 M356 N361 L362 G363 Y364 T366I102-L359 HydrophobicContact CD1-CD1 4.28Å; R129-L359 HydrophobicContact CB-CD2 4.37Å; L130-L359 HydrophobicContact CD1-CD1 4.39Å; L130-L359 HydrophobicContact CD2-CD1 4.37Å; L130-L359 HydrophobicContact CD2-CD2 4.12Å; L130-L359 HydrophobicContact CD2-CG 4.2Å; L130-L359 HydrophobicContact CG-CD1 4.1Å; L130-L359 HydrophobicContact CG-CD2 4.41Å; L130-L359 HydrophobicContact CG-CG 4.45Å; L133-L359 HydrophobicContact CD1-CD2 3.62Å; L355-L359 PolarHBondContact O-N 3.27Å; M356-L359 HydrophobicContact CE-CD1 3.72Å; M356-L359 PolarHBondContact O-N 2.91Å; M356-L359 HydrophobicContact SD-CD1 4.3Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 2.9Å; L359-L362 PolarHBondContact O-N 2.95Å; L359-G363 PolarHBondContact O-N 3.47Å; L359-G363 VanDerWaalsContact O-N 3.15Å; L359-Y364 HydrophobicContact CB-CD2 4.29Å; L359-Y364 HydrophobicContact CD2-CD2 3.78Å; L359-Y364 HydrophobicContact CD2-CE2 4.1Å; L359-Y364 HydrophobicContact CD2-CG 4.25Å; L359-Y364 WeakPolarHBondContact O-CB 3.46Å; L359-Y364 WeakPolarHBondContact O-CD2 3.45Å; L359-Y364 PolarHBondContact O-N 3.07Å; L359-T366 HydrophobicContact CB-CG2 3.55Å; L359-T366 HydrophobicContact CD1-CG2 3.76Å; L359-T366 HydrophobicContact CG-CG2 4.33Å
360D90.8Very high89.8Confident36 Ų3646.2 Ų46.219%0.19325%0.249CC..Hα-helixtrans-64-38.7178.5-80-12000112.3M356 R357 G363 R365 T366 Y370M356-D360 PolarHBondContact O-N 2.74Å; R357-D360 PolarHBondContact O-N 3.38Å; D360-G363 PolarHBondContact O-N 3.01Å; D360-R365 PolarHBondContact O-NH1 2.93Å; D360-R365 WeakPolarHBondContact OD1-CA 3.19Å; D360-T366 WeakPolarHBondContact OD1-CB 3.35Å; D360-T366 WeakPolarHBondContact OD1-CG2 3.48Å; D360-T366 PolarHBondContact OD1-N 2.99Å; D360-T366 PolarHBondContact OD1-OG1 3.36Å; D360-T366 PolarHBondContact OD2-OG1 2.98Å; D360-Y370 WeakPolarHBondContact OD2-CE2 3.33Å; D360-Y370 PolarHBondContact OD2-OH 2.77Å
361N88.3Confident89.3Confident108 Ų10847.2 Ų47.258%0.57825%0.25SS*.Hα-helixtrans-65.8-38.6173.9-74.9-22.9000112.3R357 T358 L359 G363R357-N361 WeakPolarHBondContact O-CB 3.48Å; R357-N361 PolarHBondContact O-N 3.04Å; R357-N361 PolarHBondContact O-ND2 3.37Å; T358-N361 PolarHBondContact O-N 3.33Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 2.9Å; N361-G363 PolarHBondContact O-N 2.98Å
362L88.7Confident88.3Confident95 Ų9548.5 Ų48.550%0.49726%0.255SS..Hα-helixtrans-71.7-8.3174.7-72.5171.4000113.6L133 T358 L359 Y364L133-L362 HydrophobicContact CD1-CD1 4.21Å; T358-L362 HydrophobicContact CG2-CD1 4.12Å; T358-L362 WeakPolarHBondContact O-CB 3.31Å; T358-L362 VanDerWaalsContact O-CG 3.32Å; T358-L362 WeakPolarHBondContact O-CG 3.43Å; T358-L362 PolarHBondContact O-N 3.19Å; L359-L362 PolarHBondContact O-N 2.95Å; L362-Y364 HydrophobicContact CB-CD2 3.76Å; L362-Y364 HydrophobicContact CB-CE2 3.77Å; L362-Y364 HydrophobicContact CD1-CE2 4.19Å
363G88.5Confident86.7Confident20 Ų2052.9 Ų52.921%0.20628%0.283CS..THydrogen-bonded Turntrans108.7-9.8174.800000115.3L359 D360 N361 R365L359-G363 PolarHBondContact O-N 3.47Å; L359-G363 VanDerWaalsContact O-N 3.15Å; D360-G363 PolarHBondContact O-N 3.01Å; N361-G363 PolarHBondContact O-N 2.98Å; G363-R365 VanDerWaalsContact C-N 3.25Å; G363-R365 PolarHBondContact O-N 3.48Å; G363-R365 VanDerWaalsContact O-N 3.11Å
364Y89.9Confident84.9Confident28 Ų2858.1 Ų58.111%0.1132%0.315CS..  trans-68.5-11.5-169.7-68.6-86.9000115.8V99 P101 I102 R129 L133 L359 L362 T366V99-Y364 HydrophobicContact CG1-CD1 3.24Å; V99-Y364 HydrophobicContact CG1-CD2 4.16Å; V99-Y364 HydrophobicContact CG1-CE1 3.39Å; V99-Y364 HydrophobicContact CG1-CE2 4.29Å; V99-Y364 HydrophobicContact CG1-CG 3.65Å; P101-Y364 CarbonylContact C-O 3.6Å; P101-Y364 WeakPolarHBondContact CA-O 3.37Å; I102-Y364 HydrophobicContact CD1-CD1 4.4Å; I102-Y364 HydrophobicContact CD1-CG 4.32Å; I102-Y364 PolarHBondContact N-O 3.39Å; R129-Y364 HydrophobicContact CB-CD1 4.47Å; R129-Y364 HydrophobicContact CB-CE1 4.37Å; R129-Y364 HydrophobicContact CG-CD1 4.12Å; R129-Y364 HydrophobicContact CG-CE1 4.21Å; L133-Y364 HydrophobicContact CD1-CE2 4.02Å; L359-Y364 HydrophobicContact CB-CD2 4.29Å; L359-Y364 HydrophobicContact CD2-CD2 3.78Å; L359-Y364 HydrophobicContact CD2-CE2 4.1Å; L359-Y364 HydrophobicContact CD2-CG 4.25Å; L359-Y364 WeakPolarHBondContact O-CB 3.46Å; L359-Y364 WeakPolarHBondContact O-CD2 3.45Å; L359-Y364 PolarHBondContact O-N 3.07Å; L362-Y364 HydrophobicContact CB-CD2 3.76Å; L362-Y364 HydrophobicContact CB-CE2 3.77Å; L362-Y364 HydrophobicContact CD1-CE2 4.19Å; Y364-T366 PolarHBondContact O-N 3.24Å
365R90Very high83.2Confident147 Ų14763.5 Ų63.556%0.55534%0.338SS*.  trans42.367.1179.2-54.8-57-175.6-103.5-11.9112.8P101 N103 D360 G363 G367P101-R365 HydrophobicContact CB-CB 4Å; P101-R365 HydrophobicContact CB-CG 4.44Å; N103-R365 VanDerWaalsContact CB-O 3.28Å; N103-R365 WeakPolarHBondContact CB-O 3.22Å; N103-R365 PolarHBondContact N-O 3.47Å; D360-R365 PolarHBondContact O-NH1 2.93Å; D360-R365 WeakPolarHBondContact OD1-CA 3.19Å; G363-R365 VanDerWaalsContact C-N 3.25Å; G363-R365 PolarHBondContact O-N 3.48Å; G363-R365 VanDerWaalsContact O-N 3.11Å; R365-G367 PolarHBondContact O-N 3.37Å; R365-G367 VanDerWaalsContact O-N 3.16Å
366T91.5Very high80.9Confident1 Ų166.2 Ų66.21%0.00635%0.353CS..  trans-51.8-34.4179.860.40000113.8I102 C122 M356 L359 D360 Y364 Y368I102-T366 HydrophobicContact CD1-CG2 4.08Å; C122-T366 VanDerWaalsContact CB-O 3.28Å; C122-T366 WeakPolarHBondContact CB-O 3.37Å; C122-T366 PolarHBondContact SG-O 2.74Å; M356-T366 HydrophobicContact CB-CG2 4.4Å; M356-T366 HydrophobicContact SD-CG2 3.94Å; L359-T366 HydrophobicContact CB-CG2 3.55Å; L359-T366 HydrophobicContact CD1-CG2 3.76Å; L359-T366 HydrophobicContact CG-CG2 4.33Å; D360-T366 WeakPolarHBondContact OD1-CB 3.35Å; D360-T366 WeakPolarHBondContact OD1-CG2 3.48Å; D360-T366 PolarHBondContact OD1-N 2.99Å; D360-T366 PolarHBondContact OD1-OG1 3.36Å; D360-T366 PolarHBondContact OD2-OG1 2.98Å; Y364-T366 PolarHBondContact O-N 3.24Å; T366-Y368 WeakPolarHBondContact OG1-CB 3.48Å; T366-Y368 PolarHBondContact OG1-N 3.43Å; T366-Y368 VanDerWaalsContact OG1-N 3.12Å
367G86.5Confident78.4Confident38 Ų3874.6 Ų74.639%0.39239%0.392SS..  trans70.319.4-167.900000113.3R365R365-G367 PolarHBondContact O-N 3.37Å; R365-G367 VanDerWaalsContact O-N 3.16Å
368Y89.1Confident76.1Confident22 Ų2281.3 Ų81.39%0.08642%0.417CS..  trans-69.5140.8-179.2-169.4-89.3000112.3K123 F352 E353 M356 T366 Y370K123-Y368 HydrophobicContact CD-CE2 4.12Å; K123-Y368 HydrophobicContact CG-CD2 4.11Å; K123-Y368 HydrophobicContact CG-CE2 4.15Å; F352-Y368 AromaticContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CE1-CD2 4.32Å; F352-Y368 AromaticContact CE1-CE2 3.86Å; F352-Y368 HydrophobicContact CE1-CE2 3.86Å; E353-Y368 HydrophobicContact CB-CE1 4.1Å; E353-Y368 HydrophobicContact CG-CD1 4.4Å; E353-Y368 HydrophobicContact CG-CE1 3.77Å; M356-Y368 HydrophobicContact CB-CD1 4.24Å; M356-Y368 HydrophobicContact CB-CD2 4.33Å; M356-Y368 HydrophobicContact CB-CG 3.95Å; M356-Y368 HydrophobicContact CG-CD1 4.15Å; M356-Y368 HydrophobicContact CG-CD2 3.49Å; M356-Y368 VanDerWaalsContact CG-CD2 3.49Å; M356-Y368 HydrophobicContact CG-CE2 3.89Å; M356-Y368 HydrophobicContact CG-CG 3.61Å; M356-Y368 HydrophobicContact SD-CD2 3.96Å; M356-Y368 HydrophobicContact SD-CG 4.4Å; T366-Y368 WeakPolarHBondContact OG1-CB 3.48Å; T366-Y368 PolarHBondContact OG1-N 3.43Å; T366-Y368 VanDerWaalsContact OG1-N 3.12Å; Y368-Y370 HydrophobicContact CD1-CD1 4.01Å; Y368-Y370 AromaticContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CG 4.37Å; Y368-Y370 WeakPolarHBondContact O-CD2 3.21Å; Y368-Y370 PolarHBondContact O-N 3.09Å
369A84.8Confident73.7Confident68 Ų6884.1 Ų84.156%0.56243%0.434SS*.  trans-89.494.517700000110.9
370Y84.2Confident71.3Confident59 Ų5994.9 Ų94.923%0.23148%0.475CS..  trans-63.2131.6179.2-64.2-73.7000112.8E353 M356 R357 D360 Y368E353-Y370 HydrophobicContact CG-CD1 3.53Å; E353-Y370 HydrophobicContact CG-CE1 4.02Å; M356-Y370 HydrophobicContact CB-CE1 3.98Å; M356-Y370 WeakPolarHBondContact CB-OH 3.36Å; M356-Y370 PolarHBondContact O-OH 3.03Å; M356-Y370 VanDerWaalsContact O-OH 3.12Å; R357-Y370 HydrophobicContact CB-CE1 4.44Å; R357-Y370 HydrophobicContact CG-CD1 3.99Å; R357-Y370 HydrophobicContact CG-CE1 3.38Å; R357-Y370 PolarHBondContact N-OH 2.75Å; D360-Y370 WeakPolarHBondContact OD2-CE2 3.33Å; D360-Y370 PolarHBondContact OD2-OH 2.77Å; Y368-Y370 HydrophobicContact CD1-CD1 4.01Å; Y368-Y370 AromaticContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CG 4.37Å; Y368-Y370 WeakPolarHBondContact O-CD2 3.21Å; Y368-Y370 PolarHBondContact O-N 3.09Å
371R75.4Confident69Low86 Ų8698.9 Ų98.933%0.32550%0.501SS..SBendtrans-81-32.5171.7-59.9168.474.5-178.813.1111.1K344 S345 E349 E353 P373K344-R371 PolarHBondContact O-NH2 3.18Å; K344-R371 VanDerWaalsContact O-NH2 3.14Å; S345-R371 PolarHBondContact OG-NH1 3.19Å; E349-R371 IonicContact OE2-CZ 2.61Å; E349-R371 IonicContact OE2-NH1 2.66Å; E349-R371 PolarHBondContact OE2-NH1 3.11Å; E349-R371 IonicContact OE2-NH2 3.5Å; E353-R371 VanDerWaalsContact CD-N 3.33Å; E353-R371 PolarHBondContact OE1-N 3.09Å; E353-R371 VanDerWaalsContact OE1-N 3.08Å; E353-R371 WeakPolarHBondContact OE2-CB 3.24Å; E353-R371 WeakPolarHBondContact OE2-CG 3.47Å; E353-R371 PolarHBondContact OE2-N 3.41Å; R371-P373 WeakPolarHBondContact O-CD 3.32Å
372F68.4Low66.6Low102 Ų102105.2 Ų105.245%0.44752%0.517SS..SBendtrans-119.671.9175.8-59.3-84.5000109.5H350 E353 V374H350-F372 AromaticContact CE1-CE2 3.79Å; E353-F372 PolarHBondContact OE1-N 3.25Å; F372-V374 PolarHBondContact O-N 3.49Å
373P60.4Low64.3Low92 Ų92110.1 Ų110.160%0.59753%0.529SS*.  trans-61.3131172.727.4-33.7000109.6R371R371-P373 WeakPolarHBondContact O-CD 3.32Å
374V52.8Low62.1Low113 Ų113118.7 Ų118.769%0.68556%0.563SS**  trans71.992.4-177.8-164.90000115.6F372F372-V374 PolarHBondContact O-N 3.49Å
375L54.5Low59.9Low149 Ų149122.9 Ų122.978%0.7859%0.592SS**  trans-105.82.5133.5-74.5177.8000112E377L375-E377 VanDerWaalsContact C-N 3.29Å; L375-E377 PolarHBondContact O-N 3.29Å
376L47.2Very low57.6Low89 Ų89122.4 Ų122.447%0.46660%0.596SS.*  trans-8375.5176.6-16576.9000109.9R378L376-R378 HydrophobicContact CD2-CG 3.96Å; L376-R378 HydrophobicContact CG-CG 4.2Å; L376-R378 PolarHBondContact O-N 2.92Å
377E41.3Very low55.3Low175 Ų175127.5 Ų127.582%0.81863%0.626SS**  trans-62.893.6154.6-175.8166.6-123.700106.8L375 T379L375-E377 VanDerWaalsContact C-N 3.29Å; L375-E377 PolarHBondContact O-N 3.29Å; E377-T379 PolarHBondContact O-N 3.15Å
378R43.2Very low52.8Low208 Ų208130.8 Ų130.879%0.78564%0.641SS**  trans-57.1108.5172.1-87.2-177.2167.7161.2-4.3106.8L376 R380L376-R378 HydrophobicContact CD2-CG 3.96Å; L376-R378 HydrophobicContact CG-CG 4.2Å; L376-R378 PolarHBondContact O-N 2.92Å; R378-R380 VanDerWaalsContact C-N 3.31Å; R378-R380 PolarHBondContact O-N 3.09Å
379T40.1Very low50.3Low131 Ų131134.5 Ų134.580%0.80468%0.676SS**  trans-56.398.7170.236.70000107.8E377 T381E377-T379 PolarHBondContact O-N 3.15Å; T379-T381 PolarHBondContact O-N 2.9Å
380R40.8Very low48Very low225 Ų225136.9 Ų136.985%0.84968%0.684SS**  trans-54.3118.6167.8-75.9-178.8170.3-172.7-3.6105.6R378 R382R378-R380 VanDerWaalsContact C-N 3.31Å; R378-R380 PolarHBondContact O-N 3.09Å; R380-R382 PolarHBondContact O-N 3.05Å
381T42.8Very low45.7Very low120 Ų120140.3 Ų140.374%0.73671%0.711SS**  trans-51.7115.7169.542.50000106.8T379 R383T379-T381 PolarHBondContact O-N 2.9Å; T381-R383 PolarHBondContact O-N 2.83Å
382R39Very low43.7Very low241 Ų241141.6 Ų141.691%0.90973%0.728SS**  trans-61.3101.7179.1-86.9-172.4170.1-166-1.9107.1R380 E384R380-R382 PolarHBondContact O-N 3.05Å; R382-E384 PolarHBondContact O-N 3.26Å
383R40.2Very low41.9Very low199 Ų199141.8 Ų141.875%0.75174%0.737SS**  trans-69117162.9-68-177.2175.4-179.5-2.3105.4T381 V385T381-R383 PolarHBondContact O-N 2.83Å; R383-V385 PolarHBondContact O-N 3.31Å; R383-V385 VanDerWaalsContact O-N 3.14Å
384E41.7Very low40.5Very low200 Ų200146.6 Ų146.694%0.93575%0.749SS**SBendtrans-64.9-15179.8-60.3-174140.900112.3R382R382-E384 PolarHBondContact O-N 3.26Å
385V44.3Very low39.6Very low116 Ų116148.9 Ų148.970%0.70375%0.752SS**SBendtrans-112.1107.5164.4-175.90000109R383 V387R383-V385 PolarHBondContact O-N 3.31Å; R383-V385 VanDerWaalsContact O-N 3.14Å; V385-V387 PolarHBondContact O-N 3.43Å
386E41.5Very low38.5Very low137 Ų137149.2 Ų149.264%0.6475%0.75SS**  trans-82.7107.3170.8-170158.4-143.100108.7W422E386-W422 VanDerWaalsContact OE2-CH2 3.3Å; E386-W422 WeakPolarHBondContact OE2-CH2 3.45Å
387V42.8Very low37.7Very low107 Ų107154.5 Ų154.565%0.64877%0.769SS**  trans-66.9124.3-177.9-178.80000108.9V385V385-V387 PolarHBondContact O-N 3.43Å
388P34.9Very low37.3Very low107 Ų107153.7 Ų153.770%0.69577%0.77SS**  trans-64.3141.9-179.126.8-34.7000110.6T390P388-T390 PolarHBondContact O-N 2.86Å
389A37Very low36.7Very low100 Ų100151.2 Ų151.283%0.82677%0.773SS**  trans-64107.5177.500000110.4
390T35.7Very low36.7Very low119 Ų119153.2 Ų153.273%0.7378%0.779SS**  trans-58.9137.6174.444.20000110.7P388 T392P388-T390 PolarHBondContact O-N 2.86Å; T390-T392 PolarHBondContact O-N 3.39Å
391V35Very low36.3Very low131 Ų131144.9 Ų144.979%0.79476%0.762SS**  trans-75.188-163.2-173.80000112.5V393V391-V393 HydrophobicContact CG1-CG2 3.87Å
392T33.8Very low36.1Very low113 Ų113146.3 Ų146.369%0.69377%0.771SS**  trans-110.773.5167.938.70000111.1T390 F394T390-T392 PolarHBondContact O-N 3.39Å; T392-F394 PolarHBondContact O-N 3.04Å
393V30.3Very low35.8Very low105 Ų105142.8 Ų142.864%0.63676%0.764SS**  trans-79.183.5176.6-176.70000110.3V391 H395V391-V393 HydrophobicContact CG1-CG2 3.87Å; V393-H395 PolarHBondContact O-N 3.23Å
394F32.7Very low35.6Very low194 Ų194139 Ų13985%0.85177%0.765SS**  trans-79.397.3160.7-80.5-83.4000109.4T392 Q396T392-F394 PolarHBondContact O-N 3.04Å; F394-Q396 PolarHBondContact O-N 3.43Å
395H32.8Very low35.3Very low160 Ų160134.3 Ų134.374%0.74176%0.761SS**PPolyproline II helixtrans-71.1123.6162.7-94.7-77.3000109.2V393V393-H395 PolarHBondContact O-N 3.23Å
396Q30.8Very low34.9Very low157 Ų157136.5 Ų136.573%0.73477%0.768SS**PPolyproline II helixtrans-69138.3167.4-167.4168.3-51.600108.6F394F394-Q396 PolarHBondContact O-N 3.43Å
397F31.4Very low34.9Very low200 Ų200141.3 Ų141.388%0.87778%0.78SS**PPolyproline II helixtrans-76.4123.9171.4-66.1-99.3000108.3
398D33.2Very low34.9Very low157 Ų157143.5 Ų143.584%0.8478%0.784SS**PPolyproline II helixtrans-89.2126.3157.7-69.7-48.8000107.1
399D30.1Very low35.1Very low157 Ų157145.4 Ų145.484%0.8478%0.783SS**  trans-108.2149.6176.3-174.336.7000108.8G401D399-G401 PolarHBondContact O-N 2.93Å
400D39.3Very low35.6Very low173 Ų173145.2 Ų145.293%0.92577%0.773SS**  trans-74.279.9-166.6-89.5-52.5000113
401G32.2Very low35.9Very low49 Ų49146.8 Ų146.851%0.50577%0.77SS.*  trans-121.8111.5179.600000113.8D399 H403D399-G401 PolarHBondContact O-N 2.93Å; G401-H403 PolarHBondContact O-N 3.48Å
402V40.4Very low36.6Very low151 Ų151142.9 Ų142.992%0.91575%0.752SS**  trans-72.395.3179.4-177.80000111.3
403H31.5Very low37.2Very low166 Ų166142.3 Ų142.377%0.76974%0.741SS**  trans-118.9143.6171.2-70.7-68000112G401G401-H403 PolarHBondContact O-N 3.48Å
404P35.4Very low38.2Very low119 Ų119144.7 Ų144.777%0.77374%0.739SS**  trans-68.5136-177.128-34.6000111.6L406P404-L406 PolarHBondContact O-N 3.38Å
405A35.5Very low39.2Very low103 Ų103139.5 Ų139.585%0.85172%0.717SS**  trans-63102.7-171.700000113.3R407A405-R407 PolarHBondContact O-N 3.08Å
406L35.8Very low40.2Very low161 Ų161137.6 Ų137.684%0.84371%0.708SS**  trans-61.6132160.7-73.3171.5000109P404 Q408P404-L406 PolarHBondContact O-N 3.38Å; L406-Q408 PolarHBondContact O-N 3.01Å
407R42.9Very low41.2Very low238 Ų238135.6 Ų135.690%0.89870%0.699SS**  trans-59110.8178.7-73.3-178.4176175.5-1.8110A405 H409A405-R407 PolarHBondContact O-N 3.08Å; R407-H409 PolarHBondContact O-N 3.34Å
408Q42.3Very low42.2Very low154 Ų154130.3 Ų130.372%0.7268%0.677SS**  trans-58.4131.7168.6-67.4-179.3-900109.2L406L406-Q408 PolarHBondContact O-N 3.01Å
409H40.1Very low42.9Very low146 Ų146130.8 Ų130.868%0.67667%0.667SS**  trans-66.6135.4177.4-81.1-95.9000110R407 F411 A412 Q413R407-H409 PolarHBondContact O-N 3.34Å; H409-F411 PolarHBondContact O-N 2.96Å; H409-A412 WeakPolarHBondContact O-CB 3.3Å; H409-A412 PolarHBondContact O-N 2.89Å; H409-Q413 PolarHBondContact O-N 2.6Å
410P45.4Very low43.8Very low97 Ų97127.1 Ų127.163%0.6365%0.651SS**Hα-helixtrans-60.8-21.9-179.323.5-33.7000113R414P410-R414 VanDerWaalsContact O-CB 3.29Å; P410-R414 WeakPolarHBondContact O-CB 3.41Å; P410-R414 PolarHBondContact O-N 2.91Å
411F42.3Very low44Very low152 Ų152127.7 Ų127.767%0.66764%0.64SS**Hα-helixtrans-62.5-40.2171.3-171.9-96000113H409 Q415H409-F411 PolarHBondContact O-N 2.96Å; F411-Q415 VanDerWaalsContact O-CB 3.31Å; F411-Q415 WeakPolarHBondContact O-CB 3.32Å; F411-Q415 PolarHBondContact O-N 3.23Å
412A49.4Very low44.8Very low49 Ų49132.4 Ų132.441%0.40564%0.643SS.*Hα-helixtrans-69.9-42178.600000111.4H409 Q415 Q416H409-A412 WeakPolarHBondContact O-CB 3.3Å; H409-A412 PolarHBondContact O-N 2.89Å; A412-Q415 PolarHBondContact O-N 2.96Å; A412-Q416 PolarHBondContact O-N 3.19Å
413Q47.3Very low44.9Very low101 Ų101132 Ų13247%0.47264%0.635SS.*Hα-helixtrans-63.4-42.8175.6-167.8177.630.800111.5H409 Q416 Q417H409-Q413 PolarHBondContact O-N 2.6Å; Q413-Q416 PolarHBondContact O-N 2.93Å; Q413-Q417 WeakPolarHBondContact O-CG 3.28Å; Q413-Q417 PolarHBondContact O-N 3.33Å
414R51.8Low45.3Very low154 Ų154129.8 Ų129.858%0.58163%0.628SS**Hα-helixtrans-62.2-43.1172.9-179.4174.1170.5175.1-3.6112P410 Q416 Q417 E418P410-R414 VanDerWaalsContact O-CB 3.29Å; P410-R414 WeakPolarHBondContact O-CB 3.41Å; P410-R414 PolarHBondContact O-N 2.91Å; R414-Q416 VanDerWaalsContact C-N 3.31Å; R414-Q416 PolarHBondContact O-N 2.74Å; R414-Q417 PolarHBondContact O-N 3.31Å; R414-E418 HydrophobicContact CG-CG 4.4Å; R414-E418 IonicContact CZ-OE1 2.87Å; R414-E418 VanDerWaalsContact CZ-OE1 3.31Å; R414-E418 IonicContact NE-OE1 2.76Å; R414-E418 PolarHBondContact NE-OE1 3.27Å; R414-E418 IonicContact NH2-OE1 3.86Å; R414-E418 PolarHBondContact NH2-OE1 2.83Å; R414-E418 WeakPolarHBondContact O-CB 3.46Å; R414-E418 WeakPolarHBondContact O-CG 3.42Å; R414-E418 PolarHBondContact O-N 3.42Å
415Q53.2Low45.6Very low85 Ų85126.7 Ų126.740%0.39761%0.607SS.*Hα-helixtrans-66.1-31.8177.4-169.9176.788.200112.4F411 A412 R419F411-Q415 VanDerWaalsContact O-CB 3.31Å; F411-Q415 WeakPolarHBondContact O-CB 3.32Å; F411-Q415 PolarHBondContact O-N 3.23Å; A412-Q415 PolarHBondContact O-N 2.96Å; Q415-R419 WeakPolarHBondContact O-CB 3.29Å; Q415-R419 VanDerWaalsContact O-CG 3.25Å; Q415-R419 WeakPolarHBondContact O-CG 3.35Å; Q415-R419 PolarHBondContact O-N 3.44Å
416Q53.5Low45.9Very low120 Ų120126 Ų12656%0.56159%0.594SS**Hα-helixtrans-67.9-45.4168.6-79.9-179.8-40.200112.1A412 Q413 R414 E418 R419 T420A412-Q416 PolarHBondContact O-N 3.19Å; Q413-Q416 PolarHBondContact O-N 2.93Å; R414-Q416 VanDerWaalsContact C-N 3.31Å; R414-Q416 PolarHBondContact O-N 2.74Å; Q416-E418 PolarHBondContact O-N 3.43Å; Q416-R419 PolarHBondContact O-N 3.14Å; Q416-T420 PolarHBondContact O-N 3.21Å; Q416-T420 PolarHBondContact O-OG1 2.88Å
417Q52.1Low46.5Very low116 Ų116121.9 Ų121.954%0.54257%0.573SS.*Hα-helixtrans-62.7-39.8177.3-72.6170.9-6.300112.5Q413 R414 T420 R421Q413-Q417 WeakPolarHBondContact O-CG 3.28Å; Q413-Q417 PolarHBondContact O-N 3.33Å; R414-Q417 PolarHBondContact O-N 3.31Å; Q417-T420 PolarHBondContact O-N 3.06Å; Q417-T420 PolarHBondContact O-OG1 3.14Å; Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.36Å
418E52.3Low46.9Very low88 Ų88114.3 Ų114.341%0.41155%0.553SS.*Hα-helixtrans-67-39.4174.3-72.4172.7176.100110.8R414 Q416 R421 W422R414-E418 HydrophobicContact CG-CG 4.4Å; R414-E418 IonicContact CZ-OE1 2.87Å; R414-E418 VanDerWaalsContact CZ-OE1 3.31Å; R414-E418 IonicContact NE-OE1 2.76Å; R414-E418 PolarHBondContact NE-OE1 3.27Å; R414-E418 IonicContact NH2-OE1 3.86Å; R414-E418 PolarHBondContact NH2-OE1 2.83Å; R414-E418 WeakPolarHBondContact O-CB 3.46Å; R414-E418 WeakPolarHBondContact O-CG 3.42Å; R414-E418 PolarHBondContact O-N 3.42Å; Q416-E418 PolarHBondContact O-N 3.43Å; E418-R421 WeakPolarHBondContact O-CB 3.48Å; E418-R421 PolarHBondContact O-N 3.09Å; E418-W422 VanDerWaalsContact O-CD1 3.28Å; E418-W422 PolarHBondContact O-N 3.49Å
419R48.4Very low47.4Very low167 Ų167112.9 Ų112.963%0.6354%0.542SS*.Hα-helixtrans-64.4-42172.9-80.3171.6164.5177.8-4.8113.7Q415 Q416 R421 W422 L423Q415-R419 WeakPolarHBondContact O-CB 3.29Å; Q415-R419 VanDerWaalsContact O-CG 3.25Å; Q415-R419 WeakPolarHBondContact O-CG 3.35Å; Q415-R419 PolarHBondContact O-N 3.44Å; Q416-R419 PolarHBondContact O-N 3.14Å; R419-R421 VanDerWaalsContact C-N 3.34Å; R419-W422 PolarHBondContact O-N 3.03Å; R419-L423 PolarHBondContact O-N 2.86Å
420T48.3Very low48Very low80 Ų80110.4 Ų110.449%0.49153%0.531SS..Hα-helixtrans-74.8-23.4178.455.50000113.1Q416 Q417 L423 N424Q416-T420 PolarHBondContact O-N 3.21Å; Q416-T420 PolarHBondContact O-OG1 2.88Å; Q417-T420 PolarHBondContact O-N 3.06Å; Q417-T420 PolarHBondContact O-OG1 3.14Å; T420-L423 PolarHBondContact O-N 3.48Å; T420-N424 PolarHBondContact O-ND2 3.45Å
421R43.9Very low48.6Very low185 Ų185111.3 Ų111.370%0.69853%0.525SS*.Hα-helixtrans-61.8-49169.6-171.5179.4-176.3-139.70.1111.4Q417 E418 R419 L423 N424 T425Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.36Å; E418-R421 WeakPolarHBondContact O-CB 3.48Å; E418-R421 PolarHBondContact O-N 3.09Å; R419-R421 VanDerWaalsContact C-N 3.34Å; R421-L423 VanDerWaalsContact C-N 3.27Å; R421-L423 PolarHBondContact O-N 2.99Å; R421-N424 PolarHBondContact O-N 3.37Å; R421-N424 VanDerWaalsContact O-N 3.1Å; R421-T425 HydrophobicContact CG-CG2 4.32Å; R421-T425 PolarHBondContact O-N 3.21Å; R421-T425 VanDerWaalsContact O-N 3.11Å; R421-T425 PolarHBondContact O-OG1 2.93Å
422W47.8Very low49.6Very low149 Ų149106.2 Ų106.256%0.56451%0.506SS*.Hα-helixtrans-60.8-31.6177.9-83.2101.2000113.9E386 E418 R419 N424 T425E386-W422 VanDerWaalsContact OE2-CH2 3.3Å; E386-W422 WeakPolarHBondContact OE2-CH2 3.45Å; E418-W422 VanDerWaalsContact O-CD1 3.28Å; E418-W422 PolarHBondContact O-N 3.49Å; R419-W422 PolarHBondContact O-N 3.03Å; W422-N424 PolarHBondContact O-N 3.5Å; W422-T425 PolarHBondContact O-OG1 3.21Å
423L43.4Very low50.1Low143 Ų143107 Ų10775%0.74951%0.509SS*.THydrogen-bonded Turntrans-70.7-12.7176.8-79.1164.1000114.2R419 T420 R421R419-L423 PolarHBondContact O-N 2.86Å; T420-L423 PolarHBondContact O-N 3.48Å; R421-L423 VanDerWaalsContact C-N 3.27Å; R421-L423 PolarHBondContact O-N 2.99Å
424N39.5Very low50.7Low118 Ų118108.3 Ų108.363%0.63152%0.515SS*.THydrogen-bonded Turntrans-127.5-2.5-175.1-65.6-79.9000114.2T420 R421 W422 P426T420-N424 PolarHBondContact O-ND2 3.45Å; R421-N424 PolarHBondContact O-N 3.37Å; R421-N424 VanDerWaalsContact O-N 3.1Å; W422-N424 PolarHBondContact O-N 3.5Å; N424-P426 WeakPolarHBondContact O-CD 3.37Å
425T41.8Very low50.8Low55 Ų55107.9 Ų107.934%0.33752%0.52SS..  trans-77.4116.6171.840.50000110.5R421 W422 N427R421-T425 HydrophobicContact CG-CG2 4.32Å; R421-T425 PolarHBondContact O-N 3.21Å; R421-T425 VanDerWaalsContact O-N 3.11Å; R421-T425 PolarHBondContact O-OG1 2.93Å; W422-T425 PolarHBondContact O-OG1 3.21Å; T425-N427 PolarHBondContact O-N 2.82Å
426P43.2Very low50.7Low89 Ų89109.6 Ų109.658%0.57853%0.528SS*.  trans-7392.6175.230.5-33.6000109.5N424 T428N424-P426 WeakPolarHBondContact O-CD 3.37Å; P426-T428 PolarHBondContact O-N 2.98Å
427N48.3Very low50.4Low73 Ų73109.2 Ų109.239%0.3955%0.545SS..  trans-7462.7172.4-84.1-9.1000110.7T425 Y429T425-N427 PolarHBondContact O-N 2.82Å; N427-Y429 HydrophobicContact CB-CD2 4.4Å; N427-Y429 HydrophobicContact CB-CE2 4Å; N427-Y429 WeakPolarHBondContact O-CD2 3.25Å; N427-Y429 PolarHBondContact O-N 3.25Å
428T50.5Low50.2Low79 Ų79108 Ų10849%0.48555%0.549SS..  trans-74.1113.7171.1-44.90000108.2P426 T449P426-T428 PolarHBondContact O-N 2.98Å; T428-T449 WeakPolarHBondContact CB-OG1 3.42Å; T428-T449 VanDerWaalsContact CG2-OG1 3.27Å; T428-T449 WeakPolarHBondContact CG2-OG1 3.49Å; T428-T449 PolarHBondContact O-N 3.3Å; T428-T449 PolarHBondContact O-OG1 3.46Å; T428-T449 VanDerWaalsContact O-OG1 3.07Å
429Y53.1Low49.9Very low124 Ų124110.6 Ų110.649%0.48657%0.574SS.*EExtended strand (participates in β ladder)trans-111.4131.9170.3-72.9-88.9000108.5N427 L447 K448N427-Y429 HydrophobicContact CB-CD2 4.4Å; N427-Y429 HydrophobicContact CB-CE2 4Å; N427-Y429 WeakPolarHBondContact O-CD2 3.25Å; N427-Y429 PolarHBondContact O-N 3.25Å; Y429-L447 CarbonylContact C-O 3.57Å; Y429-L447 WeakPolarHBondContact CA-O 3.3Å; Y429-K448 HydrophobicContact CD1-CB 4.31Å; Y429-K448 HydrophobicContact CE1-CB 4.06Å; Y429-K448 HydrophobicContact CE1-CG 4.2Å
430Q51.8Low50.3Low95 Ų95106.2 Ų106.244%0.44458%0.58SS.*EExtended strand (participates in β ladder)trans-108.2130.5177.8-169.8165.1-7.500109.6V432 L447 L452Q430-V432 HydrophobicContact CG-CG2 4.5Å; Q430-V432 PolarHBondContact O-N 3.12Å; Q430-L447 PolarHBondContact N-O 3.02Å; Q430-L447 PolarHBondContact O-N 3.39Å; Q430-L452 HydrophobicContact CB-CD2 4.22Å; Q430-L452 HydrophobicContact CG-CD2 4.28Å
431K58Low50.3Low115 Ų115110.2 Ų110.250%0.559%0.593SS.*EExtended strand (participates in β ladder)trans-76.3117.6172.4-172.3178.2179-177.60108.4T444 W446K431-T444 WeakPolarHBondContact CE-OG1 3.47Å; K431-W446 HydrophobicContact CB-CD2 4.02Å; K431-W446 HydrophobicContact CB-CE3 3.81Å; K431-W446 HydrophobicContact CB-CH2 3.84Å; K431-W446 HydrophobicContact CB-CZ2 4.03Å; K431-W446 HydrophobicContact CB-CZ3 3.72Å; K431-W446 HydrophobicContact CD-CH2 4.46Å; K431-W446 HydrophobicContact CD-CZ2 4.04Å; K431-W446 HydrophobicContact CG-CD2 4.45Å; K431-W446 HydrophobicContact CG-CZ2 4.3Å
432V64.7Low50.8Low46 Ų46107.2 Ų107.228%0.27959%0.587SS.*EExtended strand (participates in β ladder)trans-115.5129.4177.9-176.10000108.5Q430 T444 T445 L447 L452Q430-V432 HydrophobicContact CG-CG2 4.5Å; Q430-V432 PolarHBondContact O-N 3.12Å; V432-T444 WeakPolarHBondContact O-CA 3.35Å; V432-T445 PolarHBondContact N-O 3.01Å; V432-T445 PolarHBondContact O-N 3.42Å; V432-L447 HydrophobicContact CB-CD1 4.2Å; V432-L447 HydrophobicContact CG2-CD1 4.11Å; V432-L452 HydrophobicContact CG2-CD1 4.21Å; V432-L452 HydrophobicContact CG2-CD2 4.06Å
433S59.8Low51.2Low66 Ų66108 Ų10846%0.46259%0.59SS.*EExtended strand (participates in β ladder)trans-82.3122.5167-610000108.5
434Q59.5Low52.2Low128 Ų128104.3 Ų104.360%0.59857%0.573SS**EExtended strand (participates in β ladder)trans-107.6128.2173.4-163.3168.11800108.6R443Q434-R443 PolarHBondContact N-O 2.95Å; Q434-R443 PolarHBondContact O-N 3.02Å; Q434-R443 VanDerWaalsContact O-N 3.1Å
435E53.2Low53.3Low145 Ų145101.2 Ų101.268%0.67856%0.559SS**EExtended strand (participates in β ladder)trans-88.7121.6175-54.8-156.9123.500108.9Q442E435-Q442 HydrophobicContact CG-CG 4.27Å; E435-Q442 PolarHBondContact OE1-NE2 3.26Å
436E50.9Low54.1Low121 Ų121106.5 Ų106.557%0.56557%0.573SS**  trans-81.4158.4170.4-70.5-178.817600109.8S438E436-S438 PolarHBondContact O-N 3.47Å
437A48.4Very low54.9Low112 Ų112104.9 Ų104.993%0.92656%0.559SS**SBendtrans-75.945.4-175.400000113.4
438S48.3Very low55.3Low90 Ų90104.1 Ų104.163%0.62955%0.552SS**SBendtrans-151135175.7-75.30000110.4E436 G440E436-S438 PolarHBondContact O-N 3.47Å; S438-G440 PolarHBondContact O-N 3.36Å
439P46.1Very low55.5Low143 Ų143101.9 Ų101.993%0.92954%0.538SS*.THydrogen-bonded Turntrans-69.7126.5-166.4-19.532.8000113.3
440G55.1Low55.5Low74 Ų74102.1 Ų102.176%0.76354%0.544SS*.THydrogen-bonded Turntrans104.913162.200000117.7S438S438-G440 PolarHBondContact O-N 3.36Å
441H48.8Very low55.6Low164 Ų164104.2 Ų104.276%0.75955%0.554SS**  trans-131.6116.3166.4-101.143000111.9
442Q55.6Low55.5Low123 Ų123101.1 Ų101.158%0.57554%0.542SS*.EExtended strand (participates in β ladder)trans-98.7120.5170.3-67.9-174.1-17.400109.1E435E435-Q442 HydrophobicContact CG-CG 4.27Å; E435-Q442 PolarHBondContact OE1-NE2 3.26Å
443R54.3Low54.8Low165 Ų165104.4 Ų104.462%0.62356%0.562SS**EExtended strand (participates in β ladder)trans-94.6123177-173.3173.8-179.3166.90.3109.4Q434Q434-R443 PolarHBondContact N-O 2.95Å; Q434-R443 PolarHBondContact O-N 3.02Å; Q434-R443 VanDerWaalsContact O-N 3.1Å
444T64.3Low54.3Low66 Ų66110.9 Ų110.941%0.40559%0.586SS.*EExtended strand (participates in β ladder)trans-95.8119.1177.2710000111.1K431 V432K431-T444 WeakPolarHBondContact CE-OG1 3.47Å; V432-T444 WeakPolarHBondContact O-CA 3.35Å
445T62.9Low53.5Low53 Ų53108.7 Ų108.733%0.32559%0.589SS.*EExtended strand (participates in β ladder)trans-118.5146.6-178.8-56.20000109.6V432V432-T445 PolarHBondContact N-O 3.01Å; V432-T445 PolarHBondContact O-N 3.42Å
446W60.1Low53.3Low165 Ų165106.1 Ų106.163%0.62560%0.602SS**EExtended strand (participates in β ladder)trans-93.6117.5173.4-67.895.2000109.3K431K431-W446 HydrophobicContact CB-CD2 4.02Å; K431-W446 HydrophobicContact CB-CE3 3.81Å; K431-W446 HydrophobicContact CB-CH2 3.84Å; K431-W446 HydrophobicContact CB-CZ2 4.03Å; K431-W446 HydrophobicContact CB-CZ3 3.72Å; K431-W446 HydrophobicContact CD-CH2 4.46Å; K431-W446 HydrophobicContact CD-CZ2 4.04Å; K431-W446 HydrophobicContact CG-CD2 4.45Å; K431-W446 HydrophobicContact CG-CZ2 4.3Å
447L59Low53Low56 Ų56104.6 Ų104.629%0.29360%0.604SS.*EExtended strand (participates in β ladder)trans-109149.6177.8-77.3158.3000110Y429 Q430 V432 L452Y429-L447 CarbonylContact C-O 3.57Å; Y429-L447 WeakPolarHBondContact CA-O 3.3Å; Q430-L447 PolarHBondContact N-O 3.02Å; Q430-L447 PolarHBondContact O-N 3.39Å; V432-L447 HydrophobicContact CB-CD1 4.2Å; V432-L447 HydrophobicContact CG2-CD1 4.11Å; L447-L452 HydrophobicContact CB-CD1 3.91Å; L447-L452 HydrophobicContact CD1-CD1 3.98Å
448K56.6Low52.8Low57 Ų57106 Ų10625%0.24860%0.601CS.*EExtended strand (participates in β ladder)trans-77.4136.4178.1-161.9-176.3-178.6-159.30108.7Y429 E450 E451Y429-K448 HydrophobicContact CD1-CB 4.31Å; Y429-K448 HydrophobicContact CE1-CB 4.06Å; Y429-K448 HydrophobicContact CE1-CG 4.2Å; K448-E450 HydrophobicContact CD-CB 4.43Å; K448-E450 VanDerWaalsContact CE-CD 3.41Å; K448-E450 WeakPolarHBondContact CE-OE1 3.36Å; K448-E450 WeakPolarHBondContact CE-OE2 3.42Å; K448-E450 IonicContact NZ-OE1 2.81Å; K448-E450 PolarHBondContact NZ-OE1 3.32Å; K448-E450 IonicContact NZ-OE2 2.69Å; K448-E450 PolarHBondContact NZ-OE2 3.47Å; K448-E450 PolarHBondContact O-N 2.68Å; K448-E451 HydrophobicContact CB-CG 4.49Å; K448-E451 PolarHBondContact N-OE2 2.92Å; K448-E451 WeakPolarHBondContact O-CB 3.35Å; K448-E451 PolarHBondContact O-N 2.73Å
449T54.5Low52.8Low32 Ų32105.4 Ų105.420%0.19660%0.602CS.*G310 helixtrans-59.6-24-175.9-630000113.8T428 E451 L452T428-T449 WeakPolarHBondContact CB-OG1 3.42Å; T428-T449 VanDerWaalsContact CG2-OG1 3.27Å; T428-T449 WeakPolarHBondContact CG2-OG1 3.49Å; T428-T449 PolarHBondContact O-N 3.3Å; T428-T449 PolarHBondContact O-OG1 3.46Å; T428-T449 VanDerWaalsContact O-OG1 3.07Å; T449-E451 PolarHBondContact O-N 3.47Å; T449-L452 PolarHBondContact O-N 3.3Å
450E54.3Low53Low128 Ų128104.9 Ų104.960%0.59859%0.59SS**G310 helixtrans-59.9-27.9171.1-69.5167.8-155.900113.8K448K448-E450 HydrophobicContact CD-CB 4.43Å; K448-E450 VanDerWaalsContact CE-CD 3.41Å; K448-E450 WeakPolarHBondContact CE-OE1 3.36Å; K448-E450 WeakPolarHBondContact CE-OE2 3.42Å; K448-E450 IonicContact NZ-OE1 2.81Å; K448-E450 PolarHBondContact NZ-OE1 3.32Å; K448-E450 IonicContact NZ-OE2 2.69Å; K448-E450 PolarHBondContact NZ-OE2 3.47Å; K448-E450 PolarHBondContact O-N 2.68Å
451E53.9Low52.7Low140 Ų140108.2 Ų108.265%0.65458%0.584SS**G310 helixtrans-89.5-9.3179.8-60.4170.8142.100112.2K448 T449K448-E451 HydrophobicContact CB-CG 4.49Å; K448-E451 PolarHBondContact N-OE2 2.92Å; K448-E451 WeakPolarHBondContact O-CB 3.35Å; K448-E451 PolarHBondContact O-N 2.73Å; T449-E451 PolarHBondContact O-N 3.47Å
452L54.1Low52.9Low50 Ų50104.7 Ų104.726%0.26257%0.57SS.*  trans-99.310-175.1-120.675.1000114Q430 V432 L447 T449 Q454Q430-L452 HydrophobicContact CB-CD2 4.22Å; Q430-L452 HydrophobicContact CG-CD2 4.28Å; V432-L452 HydrophobicContact CG2-CD1 4.21Å; V432-L452 HydrophobicContact CG2-CD2 4.06Å; L447-L452 HydrophobicContact CB-CD1 3.91Å; L447-L452 HydrophobicContact CD1-CD1 3.98Å; T449-L452 PolarHBondContact O-N 3.3Å; L452-Q454 PolarHBondContact O-N 3.47Å
453T51.5Low52.6Low114 Ų114105 Ų10570%0.69957%0.571SS**THydrogen-bonded Turntrans-76.556.1-17159.10000114.3
454Q49.8Very low52.5Low203 Ų203102.2 Ų102.295%0.94957%0.568SS**THydrogen-bonded Turntrans-138.9-2.5165.2-114.3177.99.800114.3L452L452-Q454 PolarHBondContact O-N 3.47Å
455A41.3Very low52.1Low82 Ų82104.3 Ų104.368%0.67858%0.583SS**SBendtrans-114.6135.9167.900000110.3S457A455-S457 PolarHBondContact O-N 3.31Å
456G48.7Very low51.7Low91 Ų91107.2 Ų107.294%0.93860%0.597SS**  trans-69.9120.1-168.700000114.2
457S44.3Very low51.8Low88 Ų88102.9 Ų102.962%0.61558%0.584SS**  trans-142.7147.4160.764.60000110.3A455 A459A455-S457 PolarHBondContact O-N 3.31Å; S457-A459 PolarHBondContact O-N 3.42Å
458T45.8Very low51.7Low141 Ų141107.6 Ų107.687%0.86560%0.602SS**  trans-83.752.7-170.346.10000113I460T458-I460 PolarHBondContact O-N 3.33Å
459A47.1Very low51.8Low79 Ų79108.4 Ų108.465%0.65361%0.612SS**  trans-70.990.817500000111S457 K461S457-A459 PolarHBondContact O-N 3.42Å; A459-K461 PolarHBondContact O-N 3.11Å
460I51.4Low52.4Low131 Ų131111.3 Ų111.367%0.67263%0.631SS**  trans-66.4108.6173.4-59.4177.9000108.6T458 I462T458-I460 PolarHBondContact O-N 3.33Å; I460-I462 PolarHBondContact O-N 2.8Å
461K48.6Very low52.4Low144 Ų144112.6 Ų112.663%0.62664%0.641SS**  trans-58.5126.7173.9-174.5-175.3172.8-160.60109.7A459 E463 Q467A459-K461 PolarHBondContact O-N 3.11Å; K461-E463 HydrophobicContact CB-CG 4.46Å; K461-E463 HydrophobicContact CD-CG 3.9Å; K461-E463 WeakPolarHBondContact CD-OE1 3.47Å; K461-E463 WeakPolarHBondContact CE-OE1 3.41Å; K461-E463 HydrophobicContact CG-CG 3.92Å; K461-E463 IonicContact NZ-OE1 2.91Å; K461-E463 PolarHBondContact NZ-OE1 3.34Å; K461-E463 PolarHBondContact O-N 3.1Å; K461-Q467 PolarHBondContact O-NE2 2.92Å
462I52.7Low52.5Low90 Ų90116.2 Ų116.246%0.46266%0.655SS.*  trans-83.8103174.6-54.3173.9000107.4I460 N464 F468I460-I462 PolarHBondContact O-N 2.8Å; I462-N464 WeakPolarHBondContact CG2-O 3.17Å; I462-F468 HydrophobicContact CD1-CE2 3.87Å; I462-F468 HydrophobicContact CD1-CZ 4.48Å; I462-F468 HydrophobicContact CG1-CE2 3.96Å; I462-F468 HydrophobicContact CG1-CZ 4.37Å
463E49.7Very low52.9Low129 Ų129116.4 Ų116.460%0.60366%0.658SS**  trans-98.3-19.2179.7-60.3-157.7138.800112.7K461K461-E463 HydrophobicContact CB-CG 4.46Å; K461-E463 HydrophobicContact CD-CG 3.9Å; K461-E463 WeakPolarHBondContact CD-OE1 3.47Å; K461-E463 WeakPolarHBondContact CE-OE1 3.41Å; K461-E463 HydrophobicContact CG-CG 3.92Å; K461-E463 IonicContact NZ-OE1 2.91Å; K461-E463 PolarHBondContact NZ-OE1 3.34Å; K461-E463 PolarHBondContact O-N 3.1Å
464N52.7Low53.6Low107 Ų107114 Ų11457%0.57264%0.642SS**SBendtrans-130.9139.6174.4-89.2-79.8000111.5I462 N466 Q467I462-N464 WeakPolarHBondContact CG2-O 3.17Å; N464-N466 PolarHBondContact O-N 3.1Å; N464-N466 VanDerWaalsContact O-N 3.13Å; N464-Q467 HydrophobicContact CB-CB 4.45Å; N464-Q467 WeakPolarHBondContact O-CB 3.37Å; N464-Q467 PolarHBondContact O-N 2.92Å; N464-Q467 VanDerWaalsContact O-N 3.11Å
465P55Low54.3Low110 Ų110108.8 Ų108.871%0.71463%0.625SS**THydrogen-bonded Turntrans-64.1-19.5177.827.5-35.2000113.1
466N54.9Low55.4Low114 Ų114111.1 Ų111.161%0.6162%0.622SS**THydrogen-bonded Turntrans-96.28.7179.5-61.6-6.7000113.3N464 F468 V469N464-N466 PolarHBondContact O-N 3.1Å; N464-N466 VanDerWaalsContact O-N 3.13Å; N466-F468 PolarHBondContact O-N 3.47Å; N466-V469 HydrophobicContact CB-CG2 4.04Å; N466-V469 WeakPolarHBondContact O-CB 3.13Å; N466-V469 PolarHBondContact O-N 2.95Å
467Q61.7Low56.6Low75 Ų75112.2 Ų112.235%0.3560%0.603SS.*THydrogen-bonded Turntrans-63.3-15.2-171.5-176.6167.4-22.400115K461 N464K461-Q467 PolarHBondContact O-NE2 2.92Å; N464-Q467 HydrophobicContact CB-CB 4.45Å; N464-Q467 WeakPolarHBondContact O-CB 3.37Å; N464-Q467 PolarHBondContact O-N 2.92Å; N464-Q467 VanDerWaalsContact O-N 3.11Å
468F56.4Low57.9Low155 Ų155111.3 Ų111.368%0.6859%0.593SS**THydrogen-bonded Turntrans-109.88.1174.4-58.5-77.2000113.6I462 N466I462-F468 HydrophobicContact CD1-CE2 3.87Å; I462-F468 HydrophobicContact CD1-CZ 4.48Å; I462-F468 HydrophobicContact CG1-CE2 3.96Å; I462-F468 HydrophobicContact CG1-CZ 4.37Å; N466-F468 PolarHBondContact O-N 3.47Å
469V60.1Low58.9Low74 Ų74109.4 Ų109.445%0.44858%0.576SS.*SBendtrans-77.3126170.4-179.80000107.9N466 L471N466-V469 HydrophobicContact CB-CG2 4.04Å; N466-V469 WeakPolarHBondContact O-CB 3.13Å; N466-V469 PolarHBondContact O-N 2.95Å; V469-L471 PolarHBondContact O-N 2.91Å
470P66.9Low60.2Low93 Ų93111.5 Ų111.560%0.60457%0.573SS**PPolyproline II helixtrans-58.3136.1176.5-22.131.9000110.9F472 T473P470-F472 PolarHBondContact O-N 2.88Å; P470-T473 WeakPolarHBondContact CB-OG1 3.31Å; P470-T473 WeakPolarHBondContact O-CB 3.42Å; P470-T473 PolarHBondContact O-N 3.29Å; P470-T473 VanDerWaalsContact O-N 3.14Å; P470-T473 PolarHBondContact O-OG1 3.05Å
471L52.9Low61.2Low155 Ų155108.9 Ų108.981%0.81256%0.563SS**THydrogen-bonded Turntrans-57.2141.1174.9-60.6177.3000109.4V469 T473V469-L471 PolarHBondContact O-N 2.91Å; L471-T473 VanDerWaalsContact C-N 3.34Å; L471-T473 PolarHBondContact O-N 3.22Å
472F56.3Low62.1Low215 Ų215109.4 Ų109.494%0.94356%0.561SS**THydrogen-bonded Turntrans70.98.1-173.1-47-79.2000117.3P470 N474P470-F472 PolarHBondContact O-N 2.88Å; F472-N474 PolarHBondContact O-N 3.01Å
473T63.5Low63.1Low54 Ų54108.9 Ų108.933%0.33156%0.559SS.*  trans-67.7124.4171.5-460000111.4P470 L471 V478P470-T473 WeakPolarHBondContact CB-OG1 3.31Å; P470-T473 WeakPolarHBondContact O-CB 3.42Å; P470-T473 PolarHBondContact O-N 3.29Å; P470-T473 VanDerWaalsContact O-N 3.14Å; P470-T473 PolarHBondContact O-OG1 3.05Å; L471-T473 VanDerWaalsContact C-N 3.34Å; L471-T473 PolarHBondContact O-N 3.22Å; T473-V478 HydrophobicContact CG2-CG2 3.37Å
474N66.6Low64.4Low65 Ų65110 Ų11035%0.34856%0.562SS.*  trans-73.9124.1176.2-180-10000110.9F472 Q476 E477 V478F472-N474 PolarHBondContact O-N 3.01Å; N474-Q476 VanDerWaalsContact C-N 3.25Å; N474-Q476 PolarHBondContact O-N 2.88Å; N474-Q476 PolarHBondContact OD1-N 3.43Å; N474-E477 HydrophobicContact CB-CB 4.35Å; N474-E477 HydrophobicContact CB-CG 4Å; N474-E477 WeakPolarHBondContact CB-OE2 3.36Å; N474-E477 PolarHBondContact O-N 3.04Å; N474-V478 PolarHBondContact O-N 2.88Å
475P63.9Low65.2Low93 Ų93109.4 Ų109.460%0.60456%0.558SS**Hα-helixtrans-62.2-26.9-177.524.6-35000114.3I479P475-I479 WeakPolarHBondContact O-CD1 3.33Å; P475-I479 WeakPolarHBondContact O-CG1 3.27Å; P475-I479 PolarHBondContact O-N 2.82Å
476Q65.3Low65.8Low130 Ų130110.4 Ų110.461%0.60755%0.548SS*.Hα-helixtrans-71-44.2177.3-68.8-179.4-94.900111.5N474 V478 I479 E480N474-Q476 VanDerWaalsContact C-N 3.25Å; N474-Q476 PolarHBondContact O-N 2.88Å; N474-Q476 PolarHBondContact OD1-N 3.43Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.33Å; Q476-I479 PolarHBondContact O-N 2.93Å; Q476-E480 WeakPolarHBondContact O-CG 3.42Å; Q476-E480 PolarHBondContact O-N 3.07Å
477E73.3Confident66.6Low115 Ų115109.4 Ų109.454%0.53754%0.539SS..Hα-helixtrans-61.1-34.5178.2-64.3180148.100112.3N474 E480 T481N474-E477 HydrophobicContact CB-CB 4.35Å; N474-E477 HydrophobicContact CB-CG 4Å; N474-E477 WeakPolarHBondContact CB-OE2 3.36Å; N474-E477 PolarHBondContact O-N 3.04Å; E477-E480 PolarHBondContact O-N 3.01Å; E477-T481 WeakPolarHBondContact O-CB 3.2Å; E477-T481 WeakPolarHBondContact O-CG2 3.36Å; E477-T481 PolarHBondContact O-N 3.18Å; E477-T481 PolarHBondContact O-OG1 2.79Å
478V70.4Confident66.9Low68 Ų68109 Ų10941%0.41254%0.537SS..Hα-helixtrans-66.6-38.4174.8179.70000111.5T473 N474 Q476 T481 R482T473-V478 HydrophobicContact CG2-CG2 3.37Å; N474-V478 PolarHBondContact O-N 2.88Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.33Å; V478-T481 WeakPolarHBondContact CA-OG1 3.41Å; V478-T481 PolarHBondContact O-OG1 2.91Å; V478-R482 WeakPolarHBondContact O-CB 3.46Å; V478-R482 PolarHBondContact O-N 2.65Å; V478-R482 VanDerWaalsContact O-N 3.1Å
479I66.9Low67.2Low101 Ų101106.2 Ų106.252%0.51853%0.529SS..Hα-helixtrans-71.6-42.9177.2-66.8166.3000110.2P475 Q476 R482 N483P475-I479 WeakPolarHBondContact O-CD1 3.33Å; P475-I479 WeakPolarHBondContact O-CG1 3.27Å; P475-I479 PolarHBondContact O-N 2.82Å; Q476-I479 PolarHBondContact O-N 2.93Å; I479-R482 PolarHBondContact O-N 2.98Å; I479-N483 WeakPolarHBondContact O-CB 3.38Å; I479-N483 PolarHBondContact O-N 3.31Å; I479-N483 PolarHBondContact O-ND2 2.96Å
480E74.2Confident67.5Low124 Ų124111.7 Ų111.758%0.57954%0.542SS*.Hα-helixtrans-65.4-46.7178.5-72.9176.8-158.500112.5Q476 E477 R482 N483 K484Q476-E480 WeakPolarHBondContact O-CG 3.42Å; Q476-E480 PolarHBondContact O-N 3.07Å; E477-E480 PolarHBondContact O-N 3.01Å; E480-R482 PolarHBondContact O-N 2.75Å; E480-N483 PolarHBondContact O-N 3.3Å; E480-K484 WeakPolarHBondContact O-CB 3.5Å; E480-K484 PolarHBondContact O-N 3.07Å
481T74Confident67.4Low76 Ų76113.5 Ų113.547%0.46654%0.543SS..Hα-helixtrans-62.8-42174.949.50000111.8E477 V478 N483 K484 I485E477-T481 WeakPolarHBondContact O-CB 3.2Å; E477-T481 WeakPolarHBondContact O-CG2 3.36Å; E477-T481 PolarHBondContact O-N 3.18Å; E477-T481 PolarHBondContact O-OG1 2.79Å; V478-T481 WeakPolarHBondContact CA-OG1 3.41Å; V478-T481 PolarHBondContact O-OG1 2.91Å; T481-N483 VanDerWaalsContact C-N 3.31Å; T481-N483 PolarHBondContact O-N 3.34Å; T481-K484 PolarHBondContact O-N 2.95Å; T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.37Å; T481-I485 PolarHBondContact O-N 3.35Å
482R67.2Low67.5Low154 Ų154111.5 Ų111.558%0.58153%0.533SS*.Hα-helixtrans-59.5-40.8173.3-174.3-179.6-170.3-175.64.6112.2V478 I479 E480 R486V478-R482 WeakPolarHBondContact O-CB 3.46Å; V478-R482 PolarHBondContact O-N 2.65Å; V478-R482 VanDerWaalsContact O-N 3.1Å; I479-R482 PolarHBondContact O-N 2.98Å; E480-R482 PolarHBondContact O-N 2.75Å; R482-R486 WeakPolarHBondContact O-CB 3.47Å; R482-R486 WeakPolarHBondContact O-CD 3.44Å; R482-R486 VanDerWaalsContact O-CG 3.25Å; R482-R486 WeakPolarHBondContact O-CG 3.49Å; R482-R486 PolarHBondContact O-N 3.33Å
483N72.8Confident67.5Low80 Ų80106.6 Ų106.643%0.42851%0.514SS..Hα-helixtrans-72.9-35.5178.1-72.4-16.7000112.1I479 E480 T481 R486 Q487I479-N483 WeakPolarHBondContact O-CB 3.38Å; I479-N483 PolarHBondContact O-N 3.31Å; I479-N483 PolarHBondContact O-ND2 2.96Å; E480-N483 PolarHBondContact O-N 3.3Å; T481-N483 VanDerWaalsContact C-N 3.31Å; T481-N483 PolarHBondContact O-N 3.34Å; N483-R486 WeakPolarHBondContact O-CB 3.35Å; N483-R486 PolarHBondContact O-N 3.11Å; N483-Q487 WeakPolarHBondContact O-CB 3.16Å; N483-Q487 PolarHBondContact O-N 3.13Å
484K77.9Confident66.9Low152 Ų152112 Ų11266%0.66153%0.533SS*.Hα-helixtrans-63.9-46.8173.7-170.7173.8-178.1176.90111.8E480 T481 R486 Q487 Q488E480-K484 WeakPolarHBondContact O-CB 3.5Å; E480-K484 PolarHBondContact O-N 3.07Å; T481-K484 PolarHBondContact O-N 2.95Å; K484-R486 VanDerWaalsContact C-N 3.34Å; K484-R486 PolarHBondContact O-N 2.95Å; K484-Q487 PolarHBondContact O-N 3.43Å; K484-Q487 VanDerWaalsContact O-N 3.14Å; K484-Q488 WeakPolarHBondContact O-CB 3.25Å; K484-Q488 PolarHBondContact O-N 3.12Å
485I69Low66.5Low95 Ų95113.2 Ų113.249%0.48754%0.543SS..Hα-helixtrans-60.1-43.9173.9-67.7163.2000110.6T481 Q487 Q488 N489T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.37Å; T481-I485 PolarHBondContact O-N 3.35Å; I485-Q487 VanDerWaalsContact C-N 3.31Å; I485-Q487 PolarHBondContact O-N 3.01Å; I485-Q488 PolarHBondContact O-N 3.46Å; I485-N489 WeakPolarHBondContact O-CB 3.48Å; I485-N489 VanDerWaalsContact O-CG 3.3Å; I485-N489 PolarHBondContact O-N 3.35Å
486R67.8Low65.7Low131 Ų131113.2 Ų113.249%0.49455%0.551SS.*Hα-helixtrans-60.7-37.7174.5-78.8167.4159.2-176.9-11.6112.8R482 N483 K484 R490R482-R486 WeakPolarHBondContact O-CB 3.47Å; R482-R486 WeakPolarHBondContact O-CD 3.44Å; R482-R486 VanDerWaalsContact O-CG 3.25Å; R482-R486 WeakPolarHBondContact O-CG 3.49Å; R482-R486 PolarHBondContact O-N 3.33Å; N483-R486 WeakPolarHBondContact O-CB 3.35Å; N483-R486 PolarHBondContact O-N 3.11Å; K484-R486 VanDerWaalsContact C-N 3.34Å; K484-R486 PolarHBondContact O-N 2.95Å; R486-R490 WeakPolarHBondContact O-CB 3.45Å; R486-R490 PolarHBondContact O-N 3.06Å; R486-R490 VanDerWaalsContact O-N 3.12Å
487Q71.5Confident65.3Low92 Ų92109.6 Ų109.643%0.4355%0.548SS..Hα-helixtrans-71.8-41.2178.7-165.167.3-0.700112.1N483 K484 I485 R490 Q491N483-Q487 WeakPolarHBondContact O-CB 3.16Å; N483-Q487 PolarHBondContact O-N 3.13Å; K484-Q487 PolarHBondContact O-N 3.43Å; K484-Q487 VanDerWaalsContact O-N 3.14Å; I485-Q487 VanDerWaalsContact C-N 3.31Å; I485-Q487 PolarHBondContact O-N 3.01Å; Q487-R490 WeakPolarHBondContact O-CA 3.42Å; Q487-R490 WeakPolarHBondContact O-CB 3.36Å; Q487-R490 PolarHBondContact O-N 2.89Å; Q487-R490 VanDerWaalsContact O-N 3.09Å; Q487-Q491 PolarHBondContact O-N 3.21Å
488Q68.1Low64.4Low66 Ų66110.7 Ų110.731%0.30857%0.565SS.*Hα-helixtrans-63.9-43.1176.1-171.9169-11.500111.5K484 I485 R490 Q491 M493 T495K484-Q488 WeakPolarHBondContact O-CB 3.25Å; K484-Q488 PolarHBondContact O-N 3.12Å; I485-Q488 PolarHBondContact O-N 3.46Å; Q488-R490 VanDerWaalsContact C-N 3.25Å; Q488-R490 PolarHBondContact O-N 3.14Å; Q488-Q491 PolarHBondContact O-N 3.41Å; Q488-Q491 VanDerWaalsContact O-N 3.13Å; Q488-M493 HydrophobicContact CG-CB 4.12Å; Q488-M493 PolarHBondContact O-N 3.49Å; Q488-T495 PolarHBondContact NE2-OG1 3.04Å
489N61.9Low63.3Low97 Ų97116.3 Ų116.352%0.51959%0.587SS.*Hα-helixtrans-62.9-29.7171.3-71.7-5.4000112.8I485 Q491 D492I485-N489 WeakPolarHBondContact O-CB 3.48Å; I485-N489 VanDerWaalsContact O-CG 3.3Å; I485-N489 PolarHBondContact O-N 3.35Å; N489-Q491 PolarHBondContact O-N 3.05Å; N489-D492 PolarHBondContact O-N 3.45Å
490R66.8Low62.4Low190 Ų190116 Ų11672%0.71759%0.594SS**THydrogen-bonded Turntrans-74.3-9.8176.7-139.5-165.6-49.8-133.39.4113.8R486 Q487 Q488R486-R490 WeakPolarHBondContact O-CB 3.45Å; R486-R490 PolarHBondContact O-N 3.06Å; R486-R490 VanDerWaalsContact O-N 3.12Å; Q487-R490 WeakPolarHBondContact O-CA 3.42Å; Q487-R490 WeakPolarHBondContact O-CB 3.36Å; Q487-R490 PolarHBondContact O-N 2.89Å; Q487-R490 VanDerWaalsContact O-N 3.09Å; Q488-R490 VanDerWaalsContact C-N 3.25Å; Q488-R490 PolarHBondContact O-N 3.14Å
491Q64.3Low61.2Low131 Ų131118.2 Ų118.261%0.61260%0.604SS**THydrogen-bonded Turntrans-103.813.8174.1-65.5176.8-3700111.5Q487 Q488 N489 M493Q487-Q491 PolarHBondContact O-N 3.21Å; Q488-Q491 PolarHBondContact O-N 3.41Å; Q488-Q491 VanDerWaalsContact O-N 3.13Å; N489-Q491 PolarHBondContact O-N 3.05Å; Q491-M493 HydrophobicContact CB-CG 4.4Å; Q491-M493 PolarHBondContact O-N 2.91Å
492D56.4Low60.2Low112 Ų112120.4 Ų120.460%0.59962%0.617SS**THydrogen-bonded Turntrans52.514.2-174.1-120.5-37.9000115.3N489 K494N489-D492 PolarHBondContact O-N 3.45Å; D492-K494 PolarHBondContact O-N 3.1Å; D492-K494 WeakPolarHBondContact OD1-CE 3.17Å; D492-K494 IonicContact OD1-NZ 2.59Å; D492-K494 PolarHBondContact OD1-NZ 2.88Å
493M56.4Low59.1Low112 Ų112119.5 Ų119.555%0.55262%0.623SS**  trans-74.576174.5-70.6-166.471.800110.3Q488 Q491 T495Q488-M493 HydrophobicContact CG-CB 4.12Å; Q488-M493 PolarHBondContact O-N 3.49Å; Q491-M493 HydrophobicContact CB-CG 4.4Å; Q491-M493 PolarHBondContact O-N 2.91Å; M493-T495 PolarHBondContact O-N 3.49Å
494K50.8Low57.8Low168 Ų168119.9 Ų119.973%0.7364%0.638SS**  trans-68.765.5174.5-70.1170.1175.2124.30111.7D492 A496D492-K494 PolarHBondContact O-N 3.1Å; D492-K494 WeakPolarHBondContact OD1-CE 3.17Å; D492-K494 IonicContact OD1-NZ 2.59Å; D492-K494 PolarHBondContact OD1-NZ 2.88Å; K494-A496 PolarHBondContact O-N 3.39Å
495T57.3Low56.1Low91 Ų91117.7 Ų117.756%0.55864%0.641SS**PPolyproline II helixtrans-66.9127.3164.5-45.70000108.2Q488 M493 G497Q488-T495 PolarHBondContact NE2-OG1 3.04Å; M493-T495 PolarHBondContact O-N 3.49Å; T495-G497 PolarHBondContact O-N 3.35Å
496A47.8Very low54.7Low93 Ų93118 Ų11877%0.76965%0.648SS**PPolyproline II helixtrans-57.8133.7170.700000109.3K494K494-A496 PolarHBondContact O-N 3.39Å
497G56Low53.3Low54 Ų54118.2 Ų118.256%0.55766%0.657SS**PPolyproline II helixtrans-61161.8178.500000112.2T495 Q499T495-G497 PolarHBondContact O-N 3.35Å; G497-Q499 PolarHBondContact O-N 3.23Å
498P54.1Low51.8Low137 Ų137119.5 Ų119.589%0.8967%0.671SS**PPolyproline II helixtrans-54.6124.4-179.923.4-33.8000110.5S500P498-S500 PolarHBondContact O-N 3.28Å
499Q47.8Very low50.4Low186 Ų186123.3 Ų123.387%0.86969%0.694SS**PPolyproline II helixtrans-62.2132.4180-82.8-178-53.300110.7G497 Q501G497-Q499 PolarHBondContact O-N 3.23Å; Q499-Q501 PolarHBondContact O-N 2.66Å
500S47.3Very low49.1Very low96 Ų96126.2 Ų126.267%0.67171%0.709SS**  trans-66.3113.7175.2-179.80000110.5P498 V502P498-S500 PolarHBondContact O-N 3.28Å; S500-V502 PolarHBondContact O-N 3.37Å; S500-V502 WeakPolarHBondContact OG-CB 3.46Å; S500-V502 VanDerWaalsContact OG-CG2 3.25Å; S500-V502 WeakPolarHBondContact OG-CG2 3.49Å; S500-V502 PolarHBondContact OG-N 3.47Å
501Q50.9Low47.5Very low169 Ų169122.6 Ų122.679%0.7971%0.713SS**  trans-79.86171.9-71.8-173.4-25.600113.3Q499 L503 A504Q499-Q501 PolarHBondContact O-N 2.66Å; Q501-L503 PolarHBondContact O-N 3.14Å; Q501-A504 WeakPolarHBondContact O-CB 3.42Å; Q501-A504 PolarHBondContact O-N 3.06Å
502V51.1Low46.3Very low122 Ų122122.2 Ų122.274%0.73972%0.722SS**THydrogen-bonded Turntrans-65.1-10.7-169.9179.90000113.9S500S500-V502 PolarHBondContact O-N 3.37Å; S500-V502 WeakPolarHBondContact OG-CB 3.46Å; S500-V502 VanDerWaalsContact OG-CG2 3.25Å; S500-V502 WeakPolarHBondContact OG-CG2 3.49Å; S500-V502 PolarHBondContact OG-N 3.47Å
503L43.9Very low45.6Very low136 Ų136122.7 Ų122.771%0.71273%0.731SS**THydrogen-bonded Turntrans-123.916.3175.4-65.6175.7000114Q501 S505 V506Q501-L503 PolarHBondContact O-N 3.14Å; L503-S505 PolarHBondContact O-N 3.4Å; L503-V506 HydrophobicContact CD2-CG2 4.48Å; L503-V506 PolarHBondContact O-N 3.26Å
504A45.6Very low44.8Very low88 Ų88123.8 Ų123.873%0.72775%0.745SS**THydrogen-bonded Turntrans-69.2-1.2-177.500000115.2Q501Q501-A504 WeakPolarHBondContact O-CB 3.42Å; Q501-A504 PolarHBondContact O-N 3.06Å
505S42.5Very low44.1Very low105 Ų105121.8 Ų121.873%0.73475%0.749SS**THydrogen-bonded Turntrans-112.20-177.152.60000114.6L503 I507L503-S505 PolarHBondContact O-N 3.4Å; S505-I507 PolarHBondContact O-N 3.22Å
506V39.9Very low43.2Very low103 Ų103124 Ų12462%0.62476%0.761SS**  trans-86.986.3173-175.70000108.7L503 T508L503-V506 HydrophobicContact CD2-CG2 4.48Å; L503-V506 PolarHBondContact O-N 3.26Å; V506-T508 PolarHBondContact O-N 3.36Å
507I38.8Very low42.8Very low135 Ų135124.9 Ų124.969%0.69276%0.762SS**  trans-74.1121172.4-59.6170.7000108.6S505S505-I507 PolarHBondContact O-N 3.22Å
508T40.6Very low42Very low119 Ų119127.8 Ų127.873%0.7377%0.771SS**  trans-129.9102.5159.651.50000107.7V506 D510V506-T508 PolarHBondContact O-N 3.36Å; T508-D510 PolarHBondContact O-N 2.69Å
509D37.3Very low41.4Very low146 Ų146127 Ų12778%0.78177%0.766SS**  trans-70.294.8177.2-65.9-65.2000110.7
510D35.1Very low41Very low157 Ų157128.1 Ų128.184%0.8477%0.768SS**  trans-167.2129.1148.5-106.2-31.5000109.7T508T508-D510 PolarHBondContact O-N 2.69Å
511S33.2Very low40.6Very low114 Ų114129.4 Ų129.480%0.79777%0.772SS**  trans-153.5109.7-178.7-75.80000112.8
512P38.8Very low40.4Very low123 Ų123126.4 Ų126.480%0.79977%0.767SS**PPolyproline II helixtrans-67.6154.1164.5-17.832.5000111.6
513P42.8Very low40.1Very low122 Ų122126.7 Ų126.779%0.79277%0.771SS**PPolyproline II helixtrans-74.6152.3-16829.6-36.3000114.5P515P513-P515 WeakPolarHBondContact O-CD 3.35Å
514T39Very low40.2Very low136 Ų136128.9 Ų128.983%0.83478%0.778SS**PPolyproline II helixtrans-67.1126.1175.5330000112.8
515P37Very low40.3Very low126 Ų126130.8 Ų130.882%0.81878%0.783SS**PPolyproline II helixtrans-70.8143.7170.7-19.933.9000112.9P513P513-P515 WeakPolarHBondContact O-CD 3.35Å
516V37.6Very low40.7Very low136 Ų136134.4 Ų134.482%0.82479%0.788SS**PPolyproline II helixtrans-66.6141.7-179.8-179.90000112P518V516-P518 WeakPolarHBondContact O-CD 3.43Å
517S39.7Very low41Very low112 Ų112135.2 Ų135.278%0.78380%0.795SS**PPolyproline II helixtrans-59.6123.6175.8-47.50000113.3
518P39.4Very low41.4Very low116 Ų116134.7 Ų134.775%0.75380%0.801SS**PPolyproline II helixtrans-70.3160.5168.6-1933.9000112.8V516V516-P518 WeakPolarHBondContact O-CD 3.43Å
519P40.8Very low41.9Very low120 Ų120133.3 Ų133.378%0.77979%0.789SS**PPolyproline II helixtrans-78.7161.8-171.231.8-36.4000114.8V521P519-V521 PolarHBondContact O-N 2.95Å
520K39.6Very low42.5Very low209 Ų209131.8 Ų131.891%0.90979%0.787SS**  trans-72.7110-178.8-176.3179.1-178.4179.10112.1
521V37.9Very low43.1Very low124 Ų124132.6 Ų132.675%0.75278%0.784SS**PPolyproline II helixtrans-83.7138169.9-174.60000109.4P519P519-V521 PolarHBondContact O-N 2.95Å
522P48.5Very low44Very low106 Ų106133.2 Ų133.269%0.68878%0.778SS**PPolyproline II helixtrans-73151.5172.831.2-35.2000111.7
523P44.4Very low44.8Very low127 Ų127135.8 Ų135.883%0.82578%0.779SS**PPolyproline II helixtrans-72.2141.7-179.330.1-34.9000112.5
524E44.7Very low45.1Very low182 Ų182135.8 Ų135.885%0.8577%0.772SS**PPolyproline II helixtrans-70.2149.7162.5-72.8-179.4113.900110.7
525P47.8Very low46.3Very low128 Ų128133.3 Ų133.383%0.83176%0.756SS**PPolyproline II helixtrans-76.8135175.531.2-33.6000111.8
526E51.8Low47.2Very low182 Ų182134 Ų13485%0.8575%0.754SS**PPolyproline II helixtrans-67.6147.9171.2-63.5-177.7155.900111.3
527P45.7Very low48.1Very low119 Ų119134.2 Ų134.277%0.77374%0.743SS**PPolyproline II helixtrans-67.3142177.528.2-34.6000111.6
528P47.7Very low49.3Very low124 Ų124133.9 Ų133.981%0.80573%0.729SS**PPolyproline II helixtrans-68.6141.7-17226.8-34.9000113.4
529N51.2Low50.4Low91 Ų91132.5 Ų132.549%0.48772%0.715SS.*PPolyproline II helixtrans-69.6120.6175.9177.119.4000111.3F531 N532N529-F531 PolarHBondContact O-N 3.37Å; N529-N532 PolarHBondContact ND2-OD1 3.13Å; N529-N532 PolarHBondContact O-N 3.25Å
530P49.6Very low51.5Low114 Ų114133.1 Ų133.174%0.7471%0.708SS**THydrogen-bonded Turntrans-72.28.2-174.130.4-37.7000115.5
531F47.9Very low52.9Low174 Ų174128.6 Ų128.676%0.76369%0.69SS**THydrogen-bonded Turntrans-108.67.3178.6-69.8-77.3000114.4N529N529-F531 PolarHBondContact O-N 3.37Å
532N51.7Low54.1Low126 Ų126131 Ų13167%0.67469%0.686SS**  trans-88.61.4-178.6-78.416000114.9N529N529-N532 PolarHBondContact ND2-OD1 3.13Å; N529-N532 PolarHBondContact O-N 3.25Å
533E55.4Low55.2Low178 Ų178133.8 Ų133.883%0.83268%0.683SS**  trans-105.323.3-174.8-64.4-166.7164.100115T535E533-T535 PolarHBondContact O-N 3.35Å
534L50.7Low56.4Low121 Ų121134.8 Ų134.863%0.63468%0.675SS**  trans-77.6101.9157.4-98.8154.6000108
535T62.5Low57.6Low84 Ų84129.6 Ų129.652%0.51565%0.651SS.*  trans-73.8143179.755.90000111.1E533 K537 E538E533-T535 PolarHBondContact O-N 3.35Å; T535-K537 PolarHBondContact O-N 3.34Å; T535-E538 PolarHBondContact O-N 3.09Å
536D57.7Low58.7Low142 Ų142127.1 Ų127.176%0.75963%0.633SS**Hα-helixtrans-51-30.3-176.2-63-64.1000113.4E538 L539 E540D536-E538 PolarHBondContact O-N 2.93Å; D536-L539 VanDerWaalsContact O-CB 3.31Å; D536-L539 WeakPolarHBondContact O-CB 3.46Å; D536-L539 PolarHBondContact O-N 2.94Å; D536-E540 PolarHBondContact O-N 3.41Å
537K56.2Low59.2Low140 Ų140124.5 Ų124.561%0.60962%0.621SS**Hα-helixtrans-59.7-40.9177.8-165.8-176.9177.8-163.70113.5T535 L539 E540 E541T535-K537 PolarHBondContact O-N 3.34Å; K537-L539 VanDerWaalsContact C-N 3.33Å; K537-E540 PolarHBondContact O-N 2.91Å; K537-E541 WeakPolarHBondContact CE-OE1 3.36Å; K537-E541 WeakPolarHBondContact O-CG 3.3Å; K537-E541 PolarHBondContact O-N 2.8Å
538E64.1Low59.9Low105 Ų105126.6 Ų126.649%0.49161%0.613SS.*Hα-helixtrans-69.1-35.9177.3-63.7-178.2126.800111.1T535 D536 E540 Y542T535-E538 PolarHBondContact O-N 3.09Å; D536-E538 PolarHBondContact O-N 2.93Å; E538-E540 VanDerWaalsContact C-N 3.27Å; E538-E540 PolarHBondContact O-N 3.39Å; E538-Y542 WeakPolarHBondContact O-CB 3.34Å; E538-Y542 PolarHBondContact O-N 3.27Å
539L62.8Low60.7Low86 Ų86128.1 Ų128.145%0.4561%0.607SS.*Hα-helixtrans-64.4-33.6174.8-133.387.5000111.9D536 K537 R543D536-L539 VanDerWaalsContact O-CB 3.31Å; D536-L539 WeakPolarHBondContact O-CB 3.46Å; D536-L539 PolarHBondContact O-N 2.94Å; K537-L539 VanDerWaalsContact C-N 3.33Å; L539-R543 WeakPolarHBondContact O-CG 3.35Å; L539-R543 PolarHBondContact O-N 2.86Å
540E63.5Low61Low133 Ų133134.1 Ų134.162%0.62162%0.623SS**Hα-helixtrans-82.9-36.4-178.6-161.7158.5-112.500112.6D536 K537 E538 R543 K544D536-E540 PolarHBondContact O-N 3.41Å; K537-E540 PolarHBondContact O-N 2.91Å; E538-E540 VanDerWaalsContact C-N 3.27Å; E538-E540 PolarHBondContact O-N 3.39Å; E540-R543 PolarHBondContact O-N 3.5Å; E540-K544 PolarHBondContact O-N 2.83Å; E540-K544 VanDerWaalsContact O-N 3.12Å
541E69.8Low61.1Low115 Ų115135.2 Ų135.254%0.53762%0.623SS.*Hα-helixtrans-63.9-40.3169.2-73.5178.5-164.600111.6K537 R543 K544 E545K537-E541 WeakPolarHBondContact CE-OE1 3.36Å; K537-E541 WeakPolarHBondContact O-CG 3.3Å; K537-E541 PolarHBondContact O-N 2.8Å; E541-R543 PolarHBondContact O-N 3.43Å; E541-K544 PolarHBondContact O-N 2.79Å; E541-E545 PolarHBondContact O-N 3.18Å; E541-E545 VanDerWaalsContact O-N 3.09Å
542Y62.5Low60.8Low173 Ų173130.2 Ų130.268%0.67862%0.62SS**Hα-helixtrans-62.4-40.3173.8-176.6-102.7000112.8E538 K544 E545 V546E538-Y542 WeakPolarHBondContact O-CB 3.34Å; E538-Y542 PolarHBondContact O-N 3.27Å; Y542-K544 VanDerWaalsContact C-N 3.35Å; Y542-K544 PolarHBondContact O-N 2.71Å; Y542-E545 PolarHBondContact O-N 3.44Å; Y542-V546 HydrophobicContact CD1-CG2 4.37Å; Y542-V546 HydrophobicContact CE1-CG2 3.98Å; Y542-V546 HydrophobicContact CE2-CG2 4.43Å; Y542-V546 WeakPolarHBondContact O-CG2 3.45Å; Y542-V546 PolarHBondContact O-N 3.37Å; Y542-V546 VanDerWaalsContact O-N 3.14Å
543R72.5Confident60Low165 Ų165127 Ų12762%0.62362%0.617SS**Hα-helixtrans-60.7-43.4174.2-74.9173.5-172.3-161.84.4111.7L539 E540 E541 V546 E547L539-R543 WeakPolarHBondContact O-CG 3.35Å; L539-R543 PolarHBondContact O-N 2.86Å; E540-R543 PolarHBondContact O-N 3.5Å; E541-R543 PolarHBondContact O-N 3.43Å; R543-V546 PolarHBondContact O-N 3.4Å; R543-E547 PolarHBondContact O-N 3.06Å
544K69.1Low58.8Low149 Ų149125 Ų12565%0.64862%0.617SS**Hα-helixtrans-62.5-41.7177.5-97.6177174.11700113.7E540 E541 Y542 E547 R548E540-K544 PolarHBondContact O-N 2.83Å; E540-K544 VanDerWaalsContact O-N 3.12Å; E541-K544 PolarHBondContact O-N 2.79Å; Y542-K544 VanDerWaalsContact C-N 3.35Å; Y542-K544 PolarHBondContact O-N 2.71Å; K544-E547 PolarHBondContact O-N 3.48Å; K544-R548 WeakPolarHBondContact O-CB 3.39Å; K544-R548 PolarHBondContact O-N 3.37Å
545E70.5Confident58Low73 Ų73126.5 Ų126.534%0.34163%0.625SS.*Hα-helixtrans-71.7-30.9178.8-177.259.6-167.900112.4E541 Y542 R548 K549E541-E545 PolarHBondContact O-N 3.18Å; E541-E545 VanDerWaalsContact O-N 3.09Å; Y542-E545 PolarHBondContact O-N 3.44Å; E545-R548 VanDerWaalsContact CD-NH2 3.34Å; E545-R548 IonicContact OE1-CZ 3.71Å; E545-R548 IonicContact OE1-NE 2.68Å; E545-R548 IonicContact OE1-NH2 3.43Å; E545-R548 PolarHBondContact OE1-NH2 3.05Å; E545-R548 IonicContact OE2-CZ 3.35Å; E545-R548 IonicContact OE2-NE 2.65Å; E545-R548 PolarHBondContact OE2-NE 2.97Å; E545-R548 IonicContact OE2-NH2 2.66Å; E545-R548 PolarHBondContact OE2-NH2 2.99Å; E545-R548 VanDerWaalsContact OE2-NH2 3.09Å; E545-K549 WeakPolarHBondContact O-CB 3.38Å; E545-K549 WeakPolarHBondContact O-CG 3.47Å; E545-K549 PolarHBondContact O-N 3.21Å; E545-K549 VanDerWaalsContact O-N 3.11Å; E545-K549 WeakPolarHBondContact OE1-CE 3.48Å; E545-K549 IonicContact OE1-NZ 2.73Å
546V69.3Low56.5Low75 Ų75125.9 Ų125.946%0.45564%0.635SS.*Hα-helixtrans-66.4-39.4171.1170.20000111.6Y542 R543 R550Y542-V546 HydrophobicContact CD1-CG2 4.37Å; Y542-V546 HydrophobicContact CE1-CG2 3.98Å; Y542-V546 HydrophobicContact CE2-CG2 4.43Å; Y542-V546 WeakPolarHBondContact O-CG2 3.45Å; Y542-V546 PolarHBondContact O-N 3.37Å; Y542-V546 VanDerWaalsContact O-N 3.14Å; R543-V546 PolarHBondContact O-N 3.4Å; V546-R550 PolarHBondContact O-N 3.46Å
547E63.8Low55.2Low128 Ų128127.9 Ų127.960%0.59864%0.64SS**Hα-helixtrans-68.3-46.7176.2-164160-114.400111.3R543 K544 K549 R550 D551R543-E547 PolarHBondContact O-N 3.06Å; K544-E547 PolarHBondContact O-N 3.48Å; E547-K549 PolarHBondContact O-N 3.35Å; E547-R550 WeakPolarHBondContact O-CA 3.25Å; E547-R550 VanDerWaalsContact O-CB 3.24Å; E547-R550 WeakPolarHBondContact O-CB 3.39Å; E547-R550 PolarHBondContact O-N 3.44Å; E547-D551 PolarHBondContact O-N 3.21Å
548R59.3Low53.9Low163 Ų163130 Ų13062%0.61565%0.652SS**Hα-helixtrans-61.2-27176.6-161.2-17470.681.95113.8K544 E545K544-R548 WeakPolarHBondContact O-CB 3.39Å; K544-R548 PolarHBondContact O-N 3.37Å; E545-R548 VanDerWaalsContact CD-NH2 3.34Å; E545-R548 IonicContact OE1-CZ 3.71Å; E545-R548 IonicContact OE1-NE 2.68Å; E545-R548 IonicContact OE1-NH2 3.43Å; E545-R548 PolarHBondContact OE1-NH2 3.05Å; E545-R548 IonicContact OE2-CZ 3.35Å; E545-R548 IonicContact OE2-NE 2.65Å; E545-R548 PolarHBondContact OE2-NE 2.97Å; E545-R548 IonicContact OE2-NH2 2.66Å; E545-R548 PolarHBondContact OE2-NH2 2.99Å; E545-R548 VanDerWaalsContact OE2-NH2 3.09Å
549K64.6Low52.4Low156 Ų156130.5 Ų130.568%0.67866%0.662SS**THydrogen-bonded Turntrans-85.2-5.5172.3-76.6-170.9176.7177.10114.5E545 E547E545-K549 WeakPolarHBondContact O-CB 3.38Å; E545-K549 WeakPolarHBondContact O-CG 3.47Å; E545-K549 PolarHBondContact O-N 3.21Å; E545-K549 VanDerWaalsContact O-N 3.11Å; E545-K549 WeakPolarHBondContact OE1-CE 3.48Å; E545-K549 IonicContact OE1-NZ 2.73Å; E547-K549 PolarHBondContact O-N 3.35Å
550R57.6Low50.8Low216 Ų216134.3 Ų134.382%0.81568%0.678SS**THydrogen-bonded Turntrans-89.9-33.2177.7-141.7175.7-169.7-176.11.3112.5V546 E547V546-R550 PolarHBondContact O-N 3.46Å; E547-R550 WeakPolarHBondContact O-CA 3.25Å; E547-R550 VanDerWaalsContact O-CB 3.24Å; E547-R550 WeakPolarHBondContact O-CB 3.39Å; E547-R550 PolarHBondContact O-N 3.44Å
551D51.9Low49.2Very low138 Ų138134.7 Ų134.774%0.73868%0.684SS**SBendtrans-100.67.3-174.2-60.7-12.7000113.3E547 G553E547-D551 PolarHBondContact O-N 3.21Å; D551-G553 PolarHBondContact O-N 3.03Å
552G40.8Very low47.1Very low69 Ų69132.5 Ų132.571%0.71169%0.692SS**  trans-95.988.9-173.900000114.8
553G34.7Very low45.4Very low58 Ų58132.3 Ų132.360%0.59870%0.702SS**  trans-165.5139.6167.400000113.1D551D551-G553 PolarHBondContact O-N 3.03Å
554T31.7Very low43.2Very low137 Ų137133.8 Ų133.884%0.8472%0.716SS**  trans60.5130.7-177.839.40000114.6
555D32.7Very low41.2Very low152 Ų152132 Ų13281%0.81372%0.723SS**  cis-132.81732.9-60.9-63.5000109.5
556G31.3Very low40.2Very low70 Ų70133.8 Ų133.872%0.72274%0.74SS**  89.1138.881.500000113.4
557E31.6Very low38.5Very low185 Ų185136.1 Ų136.186%0.86476%0.757SS**  cis-167.3146.2-12.2-138.3161.3-152.500111.2
558E29.1Very low36.7Very low185 Ų185134 Ų13486%0.86476%0.761SS**  trans59.3164173.4-48.6-163.8142.800117.8
559V32.3Very low35.1Very low115 Ų115133 Ų13370%0.69777%0.774SS**  cis-154.2140.729.9161.20000111.5
560E29Very low33.4Very low166 Ų166130.9 Ų130.978%0.77678%0.778SS**  trans35.5157.4149.9-72.7-156.810700124.9
561N28.6Very low32.5Very low141 Ų141125.7 Ų125.775%0.75477%0.773SS**  cis-164.2167.7-25.2-134.3-33.3000109.8
562G26.1Very low31.2Very low69 Ų69124.4 Ų124.471%0.71177%0.77SS**  trans131.276.4169.800000115.6
563L27.7Very low30.5Very low168 Ų168128.7 Ų128.788%0.8878%0.777SS**  9090.568.6-169.491.2000114.4
564E25.7Very low29.9Very low197 Ų197129 Ų12992%0.92178%0.779SS**  trans-154.3157.6135.3-125.6176.5-161.600109.5
565S26.5Very low29.8Very low112 Ų112129.1 Ų129.178%0.78378%0.783SS**  trans-151.4168.6-162.578.20000114.5
566P51Low29.3Very low110 Ų110126.1 Ų126.171%0.71478%0.779SS**  trans-98178.9-153.341.1-39.7000115.6
567P32.9Very low29Very low123 Ų123129.6 Ų129.680%0.79979%0.786SS**  -137157.699.134.5-20.4000112.8
568A26.7Very low28.6Very low84 Ų84126.3 Ų126.369%0.69478%0.783SS**  cis83.899.828.500000116.2
569T24Very low28.4Very low143 Ų143125.3 Ų125.388%0.87778%0.783SS**  trans-162.1139.8154.939.30000113.7
570S29.8Very low28.6Very low110 Ų110125.3 Ų125.377%0.76979%0.785SS**  trans-115.6-176.7150.3-520000107
571P39.5Very low28.8Very low108 Ų108122.7 Ų122.770%0.70178%0.782SS**  cis-144.4-160.76.339.9-16.2000115.6
572T23.8Very low28.8Very low111 Ų111122.5 Ų122.568%0.68179%0.786SS**  trans61.5118.615245.60000122
573N25.1Very low28.7Very low159 Ų159124.8 Ų124.885%0.8579%0.791SS**  -178.1159.993.4-100.2-32.6000114.6
574G23.5Very low28.4Very low63 Ų63121 Ų12165%0.64979%0.785SS**  trans-88.3-176.7163.300000112.3
575P28.6Very low28.3Very low141 Ų141119.7 Ų119.792%0.91678%0.78SS**  -140.2-153.263.940.2-22000114
576A22.8Very low28.2Very low89 Ų89122.3 Ų122.374%0.73678%0.78SS**  trans-140.7-177.7-163.300000114.9
577V24.5Very low26.9Very low143 Ų143122.7 Ų122.787%0.86778%0.78SS**  trans83.3112.4164.9-172.10000118.4
578S23.4Very low26.5Very low115 Ų115125.5 Ų125.580%0.80478%0.782SS**  trans-164.3103.7134.462.20000113.2
579L25.7Very low26.4Very low165 Ų165128 Ų12886%0.86478%0.784SS**  trans-79175.1142-74165.4000107.4
580P36.6Very low26.4Very low114 Ų114128.5 Ų128.574%0.7478%0.781SS**  cis-135.6-150.619.843.8-20.9000110.4
581P32.2Very low26.2Very low111 Ų111128.1 Ų128.172%0.72178%0.778SS**  cis-132.9162.1-3.340.3-22.2000118.4
582V28Very low25.7Very low138 Ų138129.1 Ų129.184%0.83679%0.785SS**  trans-91.3149.4155.6-1670000107.6
583S23.9Very low25.7Very low117 Ų117129.9 Ų129.982%0.81879%0.789SS**  trans-123.6147159.3-75.60000109.8
584A23Very low25.7Very low89 Ų89130 Ų13074%0.73679%0.788SS**  trans-120-172.1-177.700000110.4
585M23.5Very low25.8Very low169 Ų169134.1 Ų134.183%0.83379%0.791SS**  trans73.5146.9-178.3-61161.6128.900113.5
586E23.6Very low25.5Very low167 Ų167134.7 Ų134.778%0.7879%0.786SS**  cis-141.2172.97.3-146.3153.3-132.400114.2
587V24Very low25.5Very low118 Ų118134.4 Ų134.472%0.71579%0.791SS**  trans-71.4143.4178.2171.70000110.8
588H24.7Very low25.5Very low181 Ų181131 Ų13184%0.83879%0.785SS**  trans-141.8124.6146.5-116.6-80.1000111.7
589N24Very low25.6Very low136 Ų136133.4 Ų133.473%0.72779%0.789SS**  trans-68.5149154.1-85.9-22.6000108.4
590D23.9Very low25.7Very low155 Ų155134.8 Ų134.883%0.82979%0.791SS**  -159.5146.3113.8-100.3-27.5000112.3
591S26.2Very low25.2Very low101 Ų101137.4 Ų137.471%0.70679%0.794SS**  trans-104.5167.7160.1-62.50000108.3
592P29.1Very low24.9Very low130 Ų130141.1 Ų141.184%0.84480%0.798SS**  -140154.5110.736-25.2000114.8
593V23.6Very low24.8Very low126 Ų126143.6 Ų143.676%0.76480%0.801SS**  trans-112.8115.7170.2172.30000109.3
594I25Very low25Very low161 Ų161144.5 Ų144.583%0.82680%0.801SS**  trans-151.2124.9154.9-58.6-173.8000104.7
595Q24.5Very low25.2Very low151 Ų151146.9 Ų146.971%0.70681%0.807SS**  cis100.4113.417.4-157.5-176.243.900115.6
596N23.5Very low25.3Very low153 Ų153148.2 Ų148.282%0.81881%0.808SS**  trans74.5149.2162.3-65.3-11.1000121.2
597G23.5Very low25.5Very low82 Ų82149.5 Ų149.585%0.84581%0.814SS**  trans115.5115.4177.900000112.5
598G22.8Very low25.7Very low72 Ų72152.3 Ų152.374%0.74282%0.824SS**  cis135.3100.1-5.200000112
599D26Very low25.9Very low165 Ų165152.8 Ų152.888%0.88283%0.827SS**  trans33.9124.6164.6-56.2-27.5000121.1
600E27.5Very low26.1Very low195 Ų195155.5 Ų155.591%0.91184%0.835SS**  trans-154.4162.6132.4-122.2170.2-159.500113.8
601E26.8Very low26.3Very low169 Ų169151.7 Ų151.779%0.7983%0.832SS**  trans-50.4144.6-160.3-64.3-164.1124.700118.6
602K26.2Very low26.4Very low189 Ų189155.9 Ų155.982%0.82284%0.843SS**  56.388.167.1-79.3-175.6-179.2170.70115.3
603Q25.2Very low26.2Very low189 Ų189160 Ų16088%0.88385%0.848SS**  trans-152.6167.3146.3-133.416225.500113.1
604V28.4Very low26.3Very low136 Ų136158.5 Ų158.582%0.82485%0.848SS**  trans66.864.4176.3-158.40000116.3
605T26.7Very low26.3Very low139 Ų139159 Ų15985%0.85385%0.851SS**  trans-132.275.6149.857.70000110.7
606K27Very low26.3Very low198 Ų198156.3 Ų156.386%0.86185%0.849SS**  trans-177.5107.2159.6-111.7178.1-179.7-173.60110.7
607E27.6Very low26.4Very low193 Ų193154.5 Ų154.590%0.90284%0.844SS**SBendtrans173.5162.4141.6-98.7165.2-152.900108.9
608L27.7Very low26.6Very low177 Ų177156.3 Ų156.393%0.92784%0.835SS**  trans66.740.6179.6-58.8172000117.4
609E28.8Very low26.9Very low192 Ų192159 Ų15990%0.89783%0.832SS**  trans-117.657.5147.7-163.1-177.9-157.600110.9
610E28.6Very low26.8Very low193 Ų193157.4 Ų157.490%0.90283%0.829SS**  trans-160.9109.6158.5-120171.7-165.200109.7
611G28.2Very low26.8Very low75 Ų75152.6 Ų152.677%0.77382%0.816SS**  trans-168.175.6-167.800000114.4
612M26.7Very low26.8Very low189 Ų189149.5 Ų149.593%0.93181%0.813SS**  trans58.295.2166.1-69.3179.7166.200118.3
613K26.1Very low26.6Very low216 Ų216146.9 Ų146.994%0.93981%0.814SS**  trans-77.1135.1132.8-77.3179.5177.2173.20109
614A26.1Very low27.3Very low94 Ų94143.6 Ų143.678%0.77781%0.809SS**  trans-149151.6156.900000110.8
615L24.8Very low27Very low171 Ų171141.6 Ų141.690%0.89581%0.806SS**  trans-63.7173.3-173.6-83.660000113.7
616S24Very low27Very low95 Ų95141.4 Ų141.466%0.66481%0.805SS**  cis152.9-177.6-15.6-169.90000106.8
617T26.4Very low28.1Very low116 Ų116137.3 Ų137.371%0.71280%0.799SS**  trans76.4141.8170.473.80000117.1
618N28Very low28.6Very low120 Ų120133.8 Ų133.864%0.64279%0.793SS**  cis-156.1156-6.3-116.828000113.5
619D27.6Very low28.7Very low127 Ų127131.7 Ų131.768%0.67979%0.787SS**  trans56148.7145.8-56.2-28.5000121.6
620T25.4Very low28.7Very low133 Ų133131.8 Ų131.882%0.81678%0.784SS**  cis-154.8-178.419-13.60000108.7
621S25.6Very low29.1Very low94 Ų94127.2 Ų127.266%0.65777%0.771SS**  cis-159.2171.53.661.40000113.9
622S27.1Very low29Very low104 Ų104133 Ų13373%0.72778%0.778SS**  trans54.699.414363.30000122.4
623T23.7Very low28.9Very low134 Ų134127.8 Ų127.882%0.82277%0.773SS**  trans-76.9-168142.246.70000110.2
624P38.3Very low28.8Very low120 Ų120120.6 Ų120.678%0.77976%0.76SS**  cis-145.2-169.98.744.2-23.1000118.1
625A22.9Very low28.8Very low94 Ų94123.1 Ų123.178%0.77777%0.766SS**  trans119147.2142.800000120
626T25.8Very low29.5Very low135 Ų135119.9 Ų119.983%0.82876%0.756SS**  trans-161.4176.7-176.933.40000107.9
627P50.4Low29.5Very low112 Ų112124.7 Ų124.773%0.72777%0.768SS**  cis-115.7-162-46.438.6-22.9000110
628P39.5Very low29.5Very low119 Ų119122.7 Ų122.777%0.77377%0.77SS**  -141.3-165109.429.9-8.5000111.1
629V27.8Very low29.5Very low132 Ų132123 Ų12380%0.878%0.781SS**  cis-145.6163.814.1-168.70000109.8
630K30.2Very low30.1Very low195 Ų195122.4 Ų122.485%0.84878%0.784SS**  trans-147.4151.4164.3-138.5177.1-172.1177.40107.9
631P35.8Very low30Very low97 Ų97120.7 Ų120.763%0.6378%0.777SS**  -159.2169.196.141.6-23.1000117.5
632Q27.3Very low30.1Very low195 Ų195125.7 Ų125.791%0.91179%0.786SS**  trans59.3156.1152.3-68.6157.410.200118.8
633G24.8Very low30.4Very low80 Ų80126.1 Ų126.183%0.82579%0.789SS**  cis-153.5-167-5.800000109.5
634G23.8Very low31.2Very low66 Ų66125.2 Ų125.268%0.6879%0.786SS**  trans-160.7169.9-179.600000116.2
635T25.1Very low30.7Very low147 Ų147124.3 Ų124.390%0.90278%0.782SS**  trans64.3162.5176.268.80000116.2
636P39.4Very low31.2Very low103 Ų103129.6 Ų129.667%0.66979%0.788SS**  cis-132.6-171.63.846.1-30.3000116.1
637E24.4Very low31.5Very low196 Ų196133.4 Ų133.492%0.91679%0.793SS**  trans64.2154160.2-66.4-179.3132.800120.2
638G26.1Very low30.6Very low73 Ų73137.4 Ų137.475%0.75380%0.799SS**  trans174.2-14.6-178.900000122.6
639S29.3Very low30.5Very low127 Ų127142.1 Ų142.189%0.88881%0.807SS**  trans67.1169.8171.9-79.30000118.6
640P38.8Very low30.7Very low114 Ų114145.4 Ų145.474%0.7481%0.811SS**  trans-125.5-170.6-149.345.2-34.7000117.7
641C24.4Very low30.7Very low97 Ų97145.4 Ų145.466%0.65581%0.811SS**  trans94.6108.7152.3-79.10000122.4
642K27.6Very low30.5Very low199 Ų199150.3 Ų150.387%0.86582%0.823SS**  73.6145.8129.1-62.9176-178.9176.30120.8
643S34Very low31.1Very low113 Ų113146.1 Ų146.179%0.7981%0.812SS**  trans-72.6171-179.7-33.90000113.5
644P39Very low31.6Very low115 Ų115147.9 Ų147.975%0.74781%0.809SS**  -159.2162.588.542-22.2000120.4
645S28.7Very low32.1Very low101 Ų101150.4 Ų150.471%0.70682%0.817SS**  trans61.7113.6138.765.60000124.7
646K33.4Very low32.5Very low205 Ų205152.4 Ų152.489%0.89181%0.813SS**  28.7127.3123.1-61.6175179.7172.70120.1
647K31.7Very low32.1Very low216 Ų216154.6 Ų154.694%0.93982%0.818SS**  trans-149.1150.7141.5-114.5164.5-171.2170.80112.8
648K31.3Very low32.5Very low196 Ų196155.5 Ų155.585%0.85282%0.819SS**  trans-93.2150.9-172.7-57.5175.8179.7-179.70111.8
649K36.6Very low32.8Very low218 Ų218161.2 Ų161.295%0.94882%0.823SS**  trans-105.9150.3150.3-85.5-177.4173.51770109.5
650K33.8Very low32.9Very low200 Ų200161.2 Ų161.287%0.8782%0.824SS**  trans-114.8161-172.5-78.4-173.1174.8-175.90112.3
651F28.9Very low32.6Very low196 Ų196165 Ų16586%0.8683%0.828SS**  trans-57.7159.4173.9-87.8-117.1000115.1
652K32.8Very low33Very low200 Ų200169.6 Ų169.687%0.8784%0.837SS**  trans-125.3134.8136.9-86.5-171.7173-176.40108.7
653P38.4Very low33.3Very low106 Ų106168.7 Ų168.769%0.68884%0.836SS**PPolyproline II helixtrans-91.1163.4176.936.5-35.1000112.8
654P35Very low33.2Very low118 Ų118171.7 Ų171.777%0.76684%0.835SS**PPolyproline II helixtrans-77.2147.8168.833.3-34.6000111.8
655S35.9Very low33Very low119 Ų119174.1 Ų174.183%0.83284%0.836SS**PPolyproline II helixtrans-102.2129.1178.358.40000112.3
656F33.3Very low33.4Very low188 Ų188177.8 Ų177.883%0.82584%0.839SS**PPolyproline II helixtrans-82.2162.7176.4-87.7-94.2000114.1
657L30.6Very low33.7Very low150 Ų150172.7 Ų172.779%0.78583%0.825SS**  trans60.6114.2153.4-71.2158.8000119.1
658K32.7Very low33.9Very low214 Ų214170.6 Ų170.693%0.9382%0.819SS**  trans-123.8131.6143.8-103.3-175.3176.2-179.10110.1
659K32.7Very low34.4Very low193 Ų193171 Ų17184%0.83984%0.838SS**  trans-82.1137.5-179.2-61.1174.5180178.30109.9
660S31.1Very low34.3Very low128 Ų128168.7 Ų168.790%0.89583%0.833SS**  trans-76.4120.4163.742.40000109.6
661K32.3Very low34.3Very low193 Ų193167.1 Ų167.184%0.83983%0.831SS**  trans-129.596.7174-169.6-178.6178.7-174.30111
662K32.9Very low34.6Very low193 Ų193165.4 Ų165.484%0.83983%0.829SS**  trans3.8117.4146.5-170.2178.2-168.8172.50115.9
663Q33.5Very low34.7Very low181 Ų181163.4 Ų163.485%0.84683%0.827SS**  trans-127.3153.1158.6-154.2162.6-7.400108.8
664K32.2Very low34.5Very low175 Ų175167 Ų16776%0.76184%0.835SS**  trans-154.2113.8-167.6176.8-169.4175.7-1780110.4
665E35.8Very low34.4Very low166 Ų166170.3 Ų170.378%0.77684%0.84SS**  trans-140.1136.8167.6-101.1159.8138.500105.7
666K36.8Very low34.3Very low179 Ų179173.9 Ų173.978%0.77884%0.841SS**  cis63.7131.438.6-75.2-152.5167-162.40112.4
667V39.5Very low34.4Very low97 Ų97172.8 Ų172.859%0.58884%0.842SS**  cis-155.9174.8-2.2101.50000108.9
668E35.6Very low34.7Very low172 Ų172174.8 Ų174.880%0.80485%0.847SS**  trans65.4147.8178.2-74.9132.7-142.600115.3
669T41.4Very low34.9Very low206 Ų206171.2 Ų171.2100%1.26484%0.839SS**  cis-128.602.1-30.80000110.3

Retrieved 669 of 669 residues in 1001.9 ms (Link to these results)