G4VEP3_SCHMA Loading...

SERTA domain-containing protein

AlphaFold DB , UniProt , Accession G4VEP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 139 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M32.7Very low32.6Very low243 Ų243153.9 Ų153.9100%1.19785%0.847SS**  0115.80-83.3-178.9177.200108
2L36.2Very low32.7Very low157 Ų157149.2 Ų149.282%0.82283%0.833SS**  trans173.577.8147.3-93.5158.8000106L4L2-L4 HydrophobicContact CD2-CD1 3.55Å
3R28Very low32.6Very low248 Ų248150.7 Ų150.794%0.93683%0.829SS**  trans-79.6116.4157.9-110-179.9173.2171.3-2.3105
4L40.3Very low32.7Very low154 Ų154151.4 Ų151.481%0.80683%0.829SS**  trans-124.183.6159-91.8117.5000107L2L2-L4 HydrophobicContact CD2-CD1 3.55Å
5G30.4Very low32.7Very low81 Ų81156.8 Ų156.884%0.83583%0.832SS**  trans-79.2132.6153.700000107.8
6G29.5Very low32.9Very low69 Ų69157.4 Ų157.471%0.71183%0.829SS**  trans-163.167.7176.600000109T8G6-T8 PolarHBondContact O-N 2.95Å
7Q28Very low33.1Very low187 Ų187156.9 Ų156.987%0.87483%0.827SS**  trans-64.6116.8155.2-79.5-179.4-900107.1
8T34.5Very low33.4Very low137 Ų137158.4 Ų158.484%0.8483%0.834SS**  trans-127.697.4155.749.60000107.4G6G6-T8 PolarHBondContact O-N 2.95Å
9E29.9Very low33.9Very low158 Ų158159.9 Ų159.974%0.73883%0.833SS**  trans-56.4148.4154.4-62.3175.2155.100109.2
10N34.4Very low34.5Very low153 Ų153156.8 Ų156.882%0.81883%0.832SS**  trans82.993.5163.9-50.7-35.2000118
11S34.8Very low34.9Very low106 Ų106154.8 Ų154.874%0.74182%0.818SS**  trans-150.791.2136.7-1770000110.4
12S33.2Very low35.6Very low97 Ų97147.7 Ų147.768%0.67879%0.788SS**  trans-60.3143.2148.448.50000109.6
13H31.3Very low36.4Very low169 Ų169145 Ų14578%0.78278%0.781SS**  trans91.975.8173.5-61.9-68.9000117.9
14I35Very low37.5Very low160 Ų160140.3 Ų140.382%0.82177%0.773SS**  trans-136.177.5135.9-51.8179.3000108.1
15R32.9Very low38Very low233 Ų233137.2 Ų137.288%0.87976%0.757SS**  trans-74.8147.8144.2-83.7-179.5158.8-168.6-5.5106.1
16E35.5Very low39.1Very low167 Ų167136 Ų13678%0.7874%0.736SS**  trans85.689.4176.9-53.8179.8178.200115.3
17N36.4Very low40.1Very low148 Ų148137.4 Ų137.479%0.79173%0.727SS**  172.471.9124.9-87.7-43.8000111
18L38.8Very low41.2Very low184 Ų184130.9 Ų130.996%0.96371%0.705SS**  trans-105.594.6154.1-81.9163.9000107.5
19K43.1Very low41.9Very low187 Ų187128.8 Ų128.881%0.81368%0.681SS**  trans-39.4137.3175.1-74.4165.3170.6174.10111.9E21K19-E21 PolarHBondContact O-N 3.44Å
20A46Very low43Very low98 Ų98131 Ų13181%0.8168%0.683SS**  trans-25.8103.8164.600000112.9T22A20-T22 PolarHBondContact O-N 2.93Å
21E41.6Very low44Very low114 Ų114132.8 Ų132.853%0.53368%0.683SS.*  trans-61.4118.4171.3-77.2-176.2167.300108.3K19 R29K19-E21 PolarHBondContact O-N 3.44Å; E21-R29 IonicContact OE1-CZ 3.85Å; E21-R29 IonicContact OE1-NH1 2.92Å; E21-R29 PolarHBondContact OE1-NH1 3.1Å; E21-R29 IonicContact OE2-NH1 3Å; E21-R29 PolarHBondContact OE2-NH1 3.26Å
22T46.9Very low45.1Very low94 Ų94133.7 Ų133.758%0.57768%0.679SS**  trans-60.5143176.839.20000111.2A20 L24 L25A20-T22 PolarHBondContact O-N 2.93Å; T22-L24 PolarHBondContact O-N 3.11Å; T22-L25 PolarHBondContact O-N 2.81Å
23P53.7Low45.8Very low102 Ų102132 Ų13266%0.66268%0.677SS**THydrogen-bonded Turntrans-57.6-10.3-168.515.9-29.5000117S26P23-S26 PolarHBondContact O-OG 2.83Å; P23-S26 VanDerWaalsContact O-OG 3.12Å
24L51.1Low47Very low149 Ų149129.1 Ų129.178%0.7867%0.667SS**Hα-helixtrans-68.9-33.9173.3-84.2157.5000113T22T22-L24 PolarHBondContact O-N 3.11Å
25L51.3Low47.8Very low88 Ų88131.9 Ų131.946%0.46167%0.667SS.*Hα-helixtrans-72.9-32.1-179.5-85.4159.6000112.9T22 N27 A28 R29T22-L25 PolarHBondContact O-N 2.81Å; L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 2.92Å; L25-A28 PolarHBondContact O-N 3.04Å; L25-R29 PolarHBondContact O-N 2.95Å; L25-R29 VanDerWaalsContact O-N 3.16Å
26S53Low48.7Very low57 Ų57126.4 Ų126.440%0.39966%0.655SS.*Hα-helixtrans-68.9-32.8-179.271.20000112.6P23 R30P23-S26 PolarHBondContact O-OG 2.83Å; P23-S26 VanDerWaalsContact O-OG 3.12Å; S26-R30 PolarHBondContact O-N 2.88Å; S26-R30 VanDerWaalsContact O-N 3.1Å
27N50.7Low49.7Very low98 Ų98126.3 Ų126.352%0.52466%0.659SS.*Hα-helixtrans-70.5-35.9175.9-85-27.6000112.5L25 K31L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 2.92Å; N27-K31 WeakPolarHBondContact O-CG 3.32Å; N27-K31 PolarHBondContact O-N 3.42Å; N27-K31 VanDerWaalsContact O-N 3.17Å
28A52Low50.5Low49 Ų49125.9 Ų125.941%0.40566%0.657SS.*Hα-helixtrans-66.1-44.4175.100000111.4L25 R30 K31 L32L25-A28 PolarHBondContact O-N 3.04Å; A28-R30 PolarHBondContact O-N 3.38Å; A28-K31 PolarHBondContact O-N 2.71Å; A28-L32 WeakPolarHBondContact O-CG 3.2Å; A28-L32 PolarHBondContact O-N 3.09Å
29R48.8Very low51Low93 Ų93122 Ų12235%0.35164%0.636SS.*Hα-helixtrans-62.1-41.2177.2-79.4-172.1160.21460.7113.1E21 L25 K31 L32 G33 L34E21-R29 IonicContact OE1-CZ 3.85Å; E21-R29 IonicContact OE1-NH1 2.92Å; E21-R29 PolarHBondContact OE1-NH1 3.1Å; E21-R29 IonicContact OE2-NH1 3Å; E21-R29 PolarHBondContact OE2-NH1 3.26Å; L25-R29 PolarHBondContact O-N 2.95Å; L25-R29 VanDerWaalsContact O-N 3.16Å; R29-K31 VanDerWaalsContact C-N 3.33Å; R29-K31 PolarHBondContact O-N 2.71Å; R29-L32 PolarHBondContact O-N 3.31Å; R29-G33 PolarHBondContact O-N 3.16Å; R29-L34 PolarHBondContact O-N 2.8Å
30R53Low51.1Low206 Ų206120.2 Ų120.278%0.77763%0.63SS**Hα-helixtrans-65.8-35.7177.7-158.9-177-73.4173.7-3.4111.9S26 A28 G33S26-R30 PolarHBondContact O-N 2.88Å; S26-R30 VanDerWaalsContact O-N 3.1Å; A28-R30 PolarHBondContact O-N 3.38Å; R30-G33 PolarHBondContact O-N 3.38Å
31K55.6Low51.1Low189 Ų189123.1 Ų123.182%0.82263%0.627SS**Hα-helixtrans-69-32.3174.1-76.8-173.5177.6-171.40113.3N27 A28 R29 G33N27-K31 WeakPolarHBondContact O-CG 3.32Å; N27-K31 PolarHBondContact O-N 3.42Å; N27-K31 VanDerWaalsContact O-N 3.17Å; A28-K31 PolarHBondContact O-N 2.71Å; R29-K31 VanDerWaalsContact C-N 3.33Å; R29-K31 PolarHBondContact O-N 2.71Å; K31-G33 VanDerWaalsContact C-N 3.3Å
32L57.6Low51.2Low125 Ų125125.7 Ų125.765%0.65464%0.639SS**THydrogen-bonded Turntrans-84-0177.9-67.1171.6000113.7A28 R29 L34A28-L32 WeakPolarHBondContact O-CG 3.2Å; A28-L32 PolarHBondContact O-N 3.09Å; R29-L32 PolarHBondContact O-N 3.31Å; L32-L34 HydrophobicContact CB-CD1 3.98Å; L32-L34 HydrophobicContact CB-CG 3.99Å; L32-L34 HydrophobicContact CD1-CD1 4.17Å; L32-L34 PolarHBondContact O-N 3.29Å
33G47.9Very low51.1Low61 Ų61126.4 Ų126.463%0.62964%0.643SS**THydrogen-bonded Turntrans64.69.6-178.600000114.6R29 R30 K31 R35R29-G33 PolarHBondContact O-N 3.16Å; R30-G33 PolarHBondContact O-N 3.38Å; K31-G33 VanDerWaalsContact C-N 3.3Å; G33-R35 PolarHBondContact O-N 2.93Å
34L55.5Low50.6Low109 Ų109129 Ų12957%0.57165%0.646SS**  trans-74.395.3179.4-65.5171.4000108.6R29 L32R29-L34 PolarHBondContact O-N 2.8Å; L32-L34 HydrophobicContact CB-CD1 3.98Å; L32-L34 HydrophobicContact CB-CG 3.99Å; L32-L34 HydrophobicContact CD1-CD1 4.17Å; L32-L34 PolarHBondContact O-N 3.29Å
35R51.8Low50.6Low219 Ų219127.6 Ų127.683%0.82664%0.643SS**  trans-63.3146.5169.9-68.3-172.1177.5-172.40.4109.3G33 L37G33-R35 PolarHBondContact O-N 2.93Å; R35-L37 PolarHBondContact O-N 3.33Å
36D52.9Low50.4Low117 Ų117130.6 Ų130.663%0.62666%0.655SS**  trans-47.8123.3-179.9-82.6-45.7000111.2N38 I39D36-N38 PolarHBondContact O-N 2.6Å; D36-I39 PolarHBondContact O-N 3.15Å; D36-I39 VanDerWaalsContact O-N 3.15Å
37L55.9Low50.6Low166 Ų166133.2 Ų133.287%0.86967%0.671SS**THydrogen-bonded Turntrans-57.4-12.1176.2-78.3151.1000113.1R35 I39R35-L37 PolarHBondContact O-N 3.33Å; L37-I39 VanDerWaalsContact C-N 3.3Å; L37-I39 PolarHBondContact O-N 2.86Å
38N54Low50.5Low139 Ų139136 Ų13674%0.74368%0.68SS**THydrogen-bonded Turntrans-85.84.8-180-14914.5000114D36 Q40D36-N38 PolarHBondContact O-N 2.6Å; N38-Q40 PolarHBondContact O-N 3.23Å
39I49.1Very low50.6Low102 Ų102139.4 Ų139.452%0.52369%0.69SS.*  trans-78.667.5162.8-46.6173.7000107.9D36 L37 Q41D36-I39 PolarHBondContact O-N 3.15Å; D36-I39 VanDerWaalsContact O-N 3.15Å; L37-I39 VanDerWaalsContact C-N 3.3Å; L37-I39 PolarHBondContact O-N 2.86Å; I39-Q41 HydrophobicContact CG2-CB 4.04Å; I39-Q41 HydrophobicContact CG2-CG 3.9Å; I39-Q41 PolarHBondContact O-N 3.01Å
40Q43.8Very low50.8Low149 Ų149143.5 Ų143.570%0.69671%0.711SS**  trans-71.162.7157.2-73.5-178.1-0.100108.4N38 H42N38-Q40 PolarHBondContact O-N 3.23Å; Q40-H42 PolarHBondContact O-N 3.19Å
41Q47.5Very low51Low160 Ų160144.5 Ų144.575%0.74871%0.714SS**  trans-80.574159.4-80.8-173.2-8.600107.5I39 V43I39-Q41 HydrophobicContact CG2-CB 4.04Å; I39-Q41 HydrophobicContact CG2-CG 3.9Å; I39-Q41 PolarHBondContact O-N 3.01Å; Q41-V43 PolarHBondContact O-N 3.45Å
42H42.8Very low51.2Low168 Ų168139.9 Ų139.978%0.77870%0.704SS**  trans-63.976.1149.5-72.3-84.9000107.1Q40 H44Q40-H42 PolarHBondContact O-N 3.19Å; H42-H44 VanDerWaalsContact C-N 3.33Å; H42-H44 PolarHBondContact O-N 3.27Å; H42-H44 VanDerWaalsContact O-N 3.11Å
43V45.2Very low51.5Low108 Ų108138.2 Ų138.266%0.65570%0.703SS**  trans-65.9110.9151.7-179.70000103.4Q41 V45Q41-V43 PolarHBondContact O-N 3.45Å; V43-V45 WeakPolarHBondContact O-CG2 3.28Å; V43-V45 PolarHBondContact O-N 2.84Å
44H44Very low52.3Low158 Ų158145.4 Ų145.473%0.73172%0.717SS**  trans-53.396.3170.4-177.861.7000107.1H42 Q46H42-H44 VanDerWaalsContact C-N 3.33Å; H42-H44 PolarHBondContact O-N 3.27Å; H42-H44 VanDerWaalsContact O-N 3.11Å; H44-Q46 PolarHBondContact O-N 3.29Å
45V51.3Low53.1Low118 Ų118145.3 Ų145.372%0.71572%0.721SS**  trans-65.9102.9174.3-178.30000104.2V43 P47V43-V45 WeakPolarHBondContact O-CG2 3.28Å; V43-V45 PolarHBondContact O-N 2.84Å; V45-P47 WeakPolarHBondContact O-CD 3.43Å; V45-P47 VanDerWaalsContact O-N 3.11Å
46Q46.2Very low53.8Low152 Ų152142.8 Ų142.871%0.7172%0.723SS**  trans-57.6116167-76-168-10.900106.5H44 E48H44-Q46 PolarHBondContact O-N 3.29Å; Q46-E48 PolarHBondContact O-N 3.05Å
47P57.5Low54.6Low112 Ų112140.3 Ų140.373%0.72771%0.712SS**  trans-80.18.3-174.331.5-32.1000112.8V45 I49V45-P47 WeakPolarHBondContact O-CD 3.43Å; V45-P47 VanDerWaalsContact O-N 3.11Å; P47-I49 PolarHBondContact O-N 2.86Å
48E47.5Very low55.7Low155 Ų155135.9 Ų135.972%0.72469%0.693SS**  trans-79.169.7170.2-69.3-169.1-17400110.2Q46 K50Q46-E48 PolarHBondContact O-N 3.05Å; E48-K50 PolarHBondContact O-N 3.24Å
49I54.5Low57Low121 Ų121136.2 Ų136.262%0.62169%0.69SS**  trans-62.293.8151.5-58174000104.5P47 R51P47-I49 PolarHBondContact O-N 2.86Å; I49-R51 PolarHBondContact O-N 3.26Å
50K53.9Low58.5Low180 Ų180134.8 Ų134.878%0.78369%0.689SS**  trans-55.4112170.4-74.2-173.7179.71800106E48E48-K50 PolarHBondContact O-N 3.24Å
51R56.6Low60.2Low226 Ų226131.9 Ų131.985%0.85368%0.677SS**PPolyproline II helixtrans-52.3129.1174.3-76.5-175.4174.2173.6-1.8107.4I49 S53I49-R51 PolarHBondContact O-N 3.26Å; R51-S53 PolarHBondContact O-N 2.96Å
52P59.4Low61.2Low93 Ų93128.8 Ų128.860%0.60466%0.66SS**PPolyproline II helixtrans-53.6130.5172.919.6-28.6000108K54P52-K54 PolarHBondContact O-N 3.12Å
53S63.4Low62.9Low89 Ų89126 Ų12662%0.62265%0.647SS**PPolyproline II helixtrans-64.4126.2178.957.30000108.3R51 T55R51-S53 PolarHBondContact O-N 2.96Å; S53-T55 PolarHBondContact O-N 2.91Å; S53-T55 VanDerWaalsContact O-N 3.08Å
54K65.6Low64.5Low212 Ų212126.6 Ų126.692%0.92264%0.643SS**  trans-67.5-1.9173.4-68.1-172.9175.8-172.70113.5P52 L56P52-K54 PolarHBondContact O-N 3.12Å; K54-L56 PolarHBondContact O-N 3.47Å
55T71.8Confident65.8Low108 Ų108121 Ų12166%0.66362%0.624SS**SBendtrans-64117.3177.3-190000108.5S53 V57S53-T55 PolarHBondContact O-N 2.91Å; S53-T55 VanDerWaalsContact O-N 3.08Å; T55-V57 PolarHBondContact O-N 3.38Å
56L66.1Low66.5Low165 Ų165118.4 Ų118.486%0.86461%0.61SS**PPolyproline II helixtrans-52.7123168.5-81.7145.1000108.3K54 P58K54-L56 PolarHBondContact O-N 3.47Å; L56-P58 WeakPolarHBondContact O-CD 3.48Å
57V71Confident67.7Low65 Ų65118.7 Ų118.739%0.39461%0.611SS.*PPolyproline II helixtrans-68.4125.21721760000106.9T55 I61 Y62T55-V57 PolarHBondContact O-N 3.38Å; V57-I61 HydrophobicContact CG1-CB 3.89Å; V57-I61 HydrophobicContact CG1-CD1 4.24Å; V57-I61 HydrophobicContact CG1-CG2 4.13Å; V57-Y62 HydrophobicContact CB-CD2 4.4Å; V57-Y62 HydrophobicContact CB-CE2 3.48Å; V57-Y62 VanDerWaalsContact CB-CE2 3.48Å; V57-Y62 HydrophobicContact CG1-CD2 3.92Å; V57-Y62 HydrophobicContact CG1-CE2 3.44Å; V57-Y62 VanDerWaalsContact CG1-CE2 3.44Å
58P78.9Confident68.4Low74 Ų74120.3 Ų120.348%0.48161%0.607SS.*PPolyproline II helixtrans-57.1139.5176.3-23.632.3000111.5L56 S60 I61L56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-S60 PolarHBondContact O-N 2.81Å; P58-S60 VanDerWaalsContact O-N 3.1Å; P58-I61 HydrophobicContact CB-CG1 4.48Å; P58-I61 HydrophobicContact CG-CD1 4.32Å; P58-I61 PolarHBondContact O-N 2.81Å
59E80.3Confident69.3Low146 Ų146119.7 Ų119.768%0.68260%0.602SS**Hα-helixtrans-52.7-34.8179.9-166.8168.9-168.600112.5I61 Y62 E63E59-I61 VanDerWaalsContact C-N 3.27Å; E59-I61 PolarHBondContact O-N 2.69Å; E59-Y62 WeakPolarHBondContact O-CA 3.3Å; E59-Y62 WeakPolarHBondContact O-CB 3.45Å; E59-Y62 PolarHBondContact O-N 2.86Å; E59-E63 PolarHBondContact O-N 3.43Å
60S80.5Confident69.4Low72 Ų72119 Ų11950%0.50361%0.606SS.*Hα-helixtrans-60.5-30.3178.1640000114.5P58 Y62 E64P58-S60 PolarHBondContact O-N 2.81Å; P58-S60 VanDerWaalsContact O-N 3.1Å; S60-Y62 VanDerWaalsContact C-N 3.32Å; S60-E64 WeakPolarHBondContact O-CB 3.4Å; S60-E64 PolarHBondContact O-N 2.91Å
61I79.5Confident69.6Low87 Ų87113.2 Ų113.245%0.44659%0.593SS.*Hα-helixtrans-72.2-34176.8-58.9-174.3000109.8V57 P58 E59 A65V57-I61 HydrophobicContact CG1-CB 3.89Å; V57-I61 HydrophobicContact CG1-CD1 4.24Å; V57-I61 HydrophobicContact CG1-CG2 4.13Å; P58-I61 HydrophobicContact CB-CG1 4.48Å; P58-I61 HydrophobicContact CG-CD1 4.32Å; P58-I61 PolarHBondContact O-N 2.81Å; E59-I61 VanDerWaalsContact C-N 3.27Å; E59-I61 PolarHBondContact O-N 2.69Å; I61-A65 WeakPolarHBondContact O-CB 3.29Å; I61-A65 PolarHBondContact O-N 2.8Å
62Y68.5Low69.4Low95 Ų95107.6 Ų107.637%0.37357%0.572SS.*Hα-helixtrans-68.7-43.3174.5-68.4-75.2000111.4V57 E59 S60 A65 C66 Y78V57-Y62 HydrophobicContact CB-CD2 4.4Å; V57-Y62 HydrophobicContact CB-CE2 3.48Å; V57-Y62 VanDerWaalsContact CB-CE2 3.48Å; V57-Y62 HydrophobicContact CG1-CD2 3.92Å; V57-Y62 HydrophobicContact CG1-CE2 3.44Å; V57-Y62 VanDerWaalsContact CG1-CE2 3.44Å; E59-Y62 WeakPolarHBondContact O-CA 3.3Å; E59-Y62 WeakPolarHBondContact O-CB 3.45Å; E59-Y62 PolarHBondContact O-N 2.86Å; S60-Y62 VanDerWaalsContact C-N 3.32Å; Y62-A65 PolarHBondContact O-N 3.39Å; Y62-C66 WeakPolarHBondContact O-CB 3.48Å; Y62-C66 PolarHBondContact O-N 3.15Å; Y62-C66 PolarHBondContact O-SG 2.92Å; Y62-Y78 HydrophobicContact CD1-CE2 4.24Å; Y62-Y78 AromaticContact CD1-CZ 3.88Å; Y62-Y78 WeakPolarHBondContact CD1-OH 3.42Å; Y62-Y78 HydrophobicContact CE1-CE2 4.38Å; Y62-Y78 AromaticContact CE1-CZ 3.91Å; Y62-Y78 WeakPolarHBondContact CE1-OH 3.17Å
63E78.6Confident69.2Low111 Ų111112.9 Ų112.952%0.51959%0.589SS.*Hα-helixtrans-58.1-48.2174.3-67.4-179.916100111E59 A65 C66 E67E59-E63 PolarHBondContact O-N 3.43Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.14Å; E63-C66 PolarHBondContact O-N 3.49Å; E63-E67 WeakPolarHBondContact O-CG 3.43Å; E63-E67 PolarHBondContact O-N 3.21Å
64E79.6Confident69Low120 Ų120112.1 Ų112.156%0.56158%0.578SS**Hα-helixtrans-59.9-42.1176.2-172.6-171.7162.800112S60 E67 K68S60-E64 WeakPolarHBondContact O-CB 3.4Å; S60-E64 PolarHBondContact O-N 2.91Å; E64-E67 PolarHBondContact O-N 3.2Å; E64-K68 WeakPolarHBondContact O-CB 3.27Å; E64-K68 PolarHBondContact O-N 3.49Å
65A70.8Confident68.8Low41 Ų41112.4 Ų112.434%0.33957%0.573SS.*Hα-helixtrans-67.2-38.817800000112.1I61 Y62 E63 K68 F69I61-A65 WeakPolarHBondContact O-CB 3.29Å; I61-A65 PolarHBondContact O-N 2.8Å; Y62-A65 PolarHBondContact O-N 3.39Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.14Å; A65-K68 PolarHBondContact O-N 2.69Å; A65-F69 HydrophobicContact CB-CD2 4.47Å; A65-F69 WeakPolarHBondContact O-CB 3.44Å; A65-F69 WeakPolarHBondContact O-CD2 3.37Å; A65-F69 PolarHBondContact O-N 2.97Å
66C65.6Low68.7Low62 Ų62113.1 Ų113.142%0.41957%0.573SS.*Hα-helixtrans-65.8-44.8176.3-67.50000111.1Y62 E63 K68 C70Y62-C66 WeakPolarHBondContact O-CB 3.48Å; Y62-C66 PolarHBondContact O-N 3.15Å; Y62-C66 PolarHBondContact O-SG 2.92Å; E63-C66 PolarHBondContact O-N 3.49Å; C66-K68 VanDerWaalsContact C-N 3.34Å; C66-K68 PolarHBondContact O-N 3.48Å; C66-C70 WeakPolarHBondContact O-CA 3.48Å; C66-C70 PolarHBondContact O-N 2.81Å
67E72.1Confident68.7Low159 Ų159109.7 Ų109.774%0.74356%0.556SS**Hα-helixtrans-61.7-41.2174.7-74-174.7174.800112.1E63 E64E63-E67 WeakPolarHBondContact O-CG 3.43Å; E63-E67 PolarHBondContact O-N 3.21Å; E64-E67 PolarHBondContact O-N 3.2Å
68K72.9Confident68.4Low145 Ų145110.1 Ų110.163%0.6355%0.551SS**Hα-helixtrans-78.3-36.5-175.1-173.5173.6-177.2175.40113.5E64 A65 C66E64-K68 WeakPolarHBondContact O-CB 3.27Å; E64-K68 PolarHBondContact O-N 3.49Å; A65-K68 PolarHBondContact O-N 2.69Å; C66-K68 VanDerWaalsContact C-N 3.34Å; C66-K68 PolarHBondContact O-N 3.48Å
69F65Low68.1Low143 Ų143108.2 Ų108.263%0.62754%0.544SS*.Hα-helixtrans-105.7-5-172.2-67.8-76.7000114.1A65 A71A65-F69 HydrophobicContact CB-CD2 4.47Å; A65-F69 WeakPolarHBondContact O-CB 3.44Å; A65-F69 WeakPolarHBondContact O-CD2 3.37Å; A65-F69 PolarHBondContact O-N 2.97Å; F69-A71 HydrophobicContact CB-CB 4.34Å; F69-A71 WeakPolarHBondContact O-CA 3.33Å; F69-A71 WeakPolarHBondContact O-CB 3.36Å; F69-A71 PolarHBondContact O-N 2.87Å
70C58.3Low67.9Low105 Ų105105.5 Ų105.571%0.70954%0.535SS*.  trans4028.7177.9-66.50000113.8C66C66-C70 WeakPolarHBondContact O-CA 3.48Å; C66-C70 PolarHBondContact O-N 2.81Å
71A57.3Low67.7Low60 Ų60104.6 Ų104.650%0.49652%0.524SS..  trans-89.7-14.7-16000000112.4F69F69-A71 HydrophobicContact CB-CB 4.34Å; F69-A71 WeakPolarHBondContact O-CA 3.33Å; F69-A71 WeakPolarHBondContact O-CB 3.36Å; F69-A71 PolarHBondContact O-N 2.87Å
72Y51.5Low67.4Low108 Ų108102.3 Ų102.342%0.42452%0.515SS..  trans-130.497.5-179.2-55-72.3000107.6D77 L81Y72-D77 HydrophobicContact CD1-CB 4.03Å; Y72-L81 HydrophobicContact CE1-CD2 4.43Å; Y72-L81 VanDerWaalsContact OH-CD2 3.3Å; Y72-L81 WeakPolarHBondContact OH-CD2 3.26Å
73E55.5Low67.7Low203 Ų203101.5 Ų101.595%0.94952%0.52SS*.SBendtrans-67-24.5169.4-70-173.7165.400110.7
74D60.8Low67.5Low74 Ų74103.3 Ų103.340%0.39652%0.522SS..  trans-114.3132-179.4-155-26.1000111.9D76 D77D74-D76 PolarHBondContact O-N 3.41Å; D74-D76 PolarHBondContact OD1-N 2.83Å; D74-D77 PolarHBondContact O-N 2.88Å
75R61.1Low67.4Low217 Ų217101.7 Ų101.782%0.81952%0.517SS*.Hα-helixtrans-67.3-25.3173.3-76.5-167.1168.6-144.5-4.2111.5D77 Y78 G79R75-D77 VanDerWaalsContact C-N 3.35Å; R75-Y78 PolarHBondContact O-N 2.93Å; R75-G79 PolarHBondContact O-N 2.89Å
76D68.9Low67.7Low124 Ų124104.4 Ų104.466%0.66353%0.526SS*.Hα-helixtrans-67.2-37-180-69.8-14.2000111.4D74 Y78 G79 D80D74-D76 PolarHBondContact O-N 3.41Å; D74-D76 PolarHBondContact OD1-N 2.83Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.29Å; D76-G79 PolarHBondContact O-N 3.18Å; D76-G79 VanDerWaalsContact O-N 3.16Å; D76-D80 PolarHBondContact O-N 3.28Å; D76-D80 VanDerWaalsContact O-N 3.12Å
77D67Low68.1Low93 Ų93106.3 Ų106.350%0.49753%0.532SS..Hα-helixtrans-62-35.7176.1-71.7-24.7000112Y72 D74 R75 D80 L81Y72-D77 HydrophobicContact CD1-CB 4.03Å; D74-D77 PolarHBondContact O-N 2.88Å; R75-D77 VanDerWaalsContact C-N 3.35Å; D77-D80 PolarHBondContact O-N 2.89Å; D77-L81 PolarHBondContact O-N 2.75Å
78Y64.8Low68.4Low73 Ų73103.3 Ų103.329%0.28652%0.52SS..Hα-helixtrans-70-38.3177-176.4-99.2000111.8Y62 R75 D76 D80 L81 C82Y62-Y78 HydrophobicContact CD1-CE2 4.24Å; Y62-Y78 AromaticContact CD1-CZ 3.88Å; Y62-Y78 WeakPolarHBondContact CD1-OH 3.42Å; Y62-Y78 HydrophobicContact CE1-CE2 4.38Å; Y62-Y78 AromaticContact CE1-CZ 3.91Å; Y62-Y78 WeakPolarHBondContact CE1-OH 3.17Å; R75-Y78 PolarHBondContact O-N 2.93Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.29Å; Y78-D80 PolarHBondContact O-N 2.9Å; Y78-L81 PolarHBondContact O-N 3.27Å; Y78-C82 WeakPolarHBondContact CE1-SG 3.34Å; Y78-C82 PolarHBondContact O-N 3.32Å; Y78-C82 PolarHBondContact OH-SG 3.23Å
79G72.5Confident68.4Low34 Ų3499.6 Ų99.635%0.35151%0.507SS..Hα-helixtrans-60.4-42.5173.800000112.7R75 D76 T83R75-G79 PolarHBondContact O-N 2.89Å; D76-G79 PolarHBondContact O-N 3.18Å; D76-G79 VanDerWaalsContact O-N 3.16Å; G79-T83 PolarHBondContact O-N 2.87Å; G79-T83 VanDerWaalsContact O-N 3.11Å; G79-T83 PolarHBondContact O-OG1 3.24Å
80D76Confident69Low89 Ų8996.4 Ų96.448%0.47650%0.503SS..Hα-helixtrans-64-44.4174.4-174.352.5000111.4D76 D77 Y78 C82 T83 R84D76-D80 PolarHBondContact O-N 3.28Å; D76-D80 VanDerWaalsContact O-N 3.12Å; D77-D80 PolarHBondContact O-N 2.89Å; Y78-D80 PolarHBondContact O-N 2.9Å; D80-C82 PolarHBondContact O-N 3.19Å; D80-T83 PolarHBondContact O-N 3.44Å; D80-R84 WeakPolarHBondContact O-CB 3.49Å; D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.44Å; D80-R84 PolarHBondContact O-N 3.06Å; D80-R84 WeakPolarHBondContact OD2-CD 3.23Å
81L74.8Confident69.8Low54 Ų5497.1 Ų97.128%0.28350%0.499SS..Hα-helixtrans-60.8-46177.9-176.665.7000112.6Y72 D77 Y78 T83 R84 L85Y72-L81 HydrophobicContact CE1-CD2 4.43Å; Y72-L81 VanDerWaalsContact OH-CD2 3.3Å; Y72-L81 WeakPolarHBondContact OH-CD2 3.26Å; D77-L81 PolarHBondContact O-N 2.75Å; Y78-L81 PolarHBondContact O-N 3.27Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 3.25Å; L81-R84 PolarHBondContact O-N 3.44Å; L81-L85 HydrophobicContact CG-CD1 4.28Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.35Å
82C74.4Confident70.6Confident39 Ų3997.1 Ų97.126%0.26449%0.493SS..Hα-helixtrans-58.6-46.7175.9-77.90000111.5Y78 D80 R84 L85 D86Y78-C82 WeakPolarHBondContact CE1-SG 3.34Å; Y78-C82 PolarHBondContact O-N 3.32Å; Y78-C82 PolarHBondContact OH-SG 3.23Å; D80-C82 PolarHBondContact O-N 3.19Å; C82-R84 VanDerWaalsContact C-N 3.3Å; C82-R84 PolarHBondContact O-N 3.04Å; C82-L85 PolarHBondContact O-N 3.32Å; C82-L85 VanDerWaalsContact O-N 3.16Å; C82-D86 PolarHBondContact O-N 3.06Å
83T73.9Confident71.5Confident78 Ų7896.8 Ų96.848%0.47950%0.498SS..Hα-helixtrans-60.4-41.2177.9-55.60000111.5G79 D80 L81 D86 N87G79-T83 PolarHBondContact O-N 2.87Å; G79-T83 VanDerWaalsContact O-N 3.11Å; G79-T83 PolarHBondContact O-OG1 3.24Å; D80-T83 PolarHBondContact O-N 3.44Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 3.25Å; T83-D86 PolarHBondContact O-N 2.83Å; T83-N87 VanDerWaalsContact O-CG 3.28Å; T83-N87 PolarHBondContact O-N 3.23Å; T83-N87 PolarHBondContact O-ND2 3.25Å
84R75.7Confident71.8Confident148 Ų14888.8 Ų88.856%0.55847%0.47SS*.Hα-helixtrans-65.3-39.9176-71.2173.969.7-175.92.1112.2D80 L81 C82 N87 I88D80-R84 WeakPolarHBondContact O-CB 3.49Å; D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.44Å; D80-R84 PolarHBondContact O-N 3.06Å; D80-R84 WeakPolarHBondContact OD2-CD 3.23Å; L81-R84 PolarHBondContact O-N 3.44Å; C82-R84 VanDerWaalsContact C-N 3.3Å; C82-R84 PolarHBondContact O-N 3.04Å; R84-N87 PolarHBondContact O-N 3.43Å; R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.5Å; R84-I88 PolarHBondContact O-N 3.33Å
85L76.9Confident71.9Confident86 Ų8689 Ų8945%0.4547%0.473SS..Hα-helixtrans-65.2-39.9175.4-73171.9000111.8L81 C82 I88 N89L81-L85 HydrophobicContact CG-CD1 4.28Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.35Å; C82-L85 PolarHBondContact O-N 3.32Å; C82-L85 VanDerWaalsContact O-N 3.16Å; L85-I88 PolarHBondContact O-N 3.1Å; L85-N89 WeakPolarHBondContact O-CB 3.47Å; L85-N89 VanDerWaalsContact O-CG 3.28Å; L85-N89 PolarHBondContact O-N 3.45Å; L85-N89 PolarHBondContact O-ND2 3.16Å
86D75.6Confident71.6Confident98 Ų9881.9 Ų81.952%0.52445%0.451SS..Hα-helixtrans-64.6-39.2175.3-74.8-19.9000112.3C82 T83 N89 S90C82-D86 PolarHBondContact O-N 3.06Å; T83-D86 PolarHBondContact O-N 2.83Å; D86-N89 PolarHBondContact O-N 3.21Å; D86-S90 WeakPolarHBondContact O-CB 3.27Å; D86-S90 PolarHBondContact O-N 3Å; D86-S90 PolarHBondContact O-OG 3.18Å
87N75Confident71Confident103 Ų10379.6 Ų79.655%0.55145%0.445SS*.Hα-helixtrans-64-41.8173.7-72.2-28.6000111.9T83 R84 S90 L91T83-N87 VanDerWaalsContact O-CG 3.28Å; T83-N87 PolarHBondContact O-N 3.23Å; T83-N87 PolarHBondContact O-ND2 3.25Å; R84-N87 PolarHBondContact O-N 3.43Å; N87-S90 PolarHBondContact O-N 3.05Å; N87-L91 PolarHBondContact O-N 3.15Å
88I77.5Confident70.4Confident96 Ų9680.9 Ų80.949%0.49245%0.451SS..Hα-helixtrans-64.6-46.1175.5-69.1165000110.4R84 L85 S90 L91 V92R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.5Å; R84-I88 PolarHBondContact O-N 3.33Å; L85-I88 PolarHBondContact O-N 3.1Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 2.92Å; I88-L91 WeakPolarHBondContact O-CB 3.49Å; I88-L91 PolarHBondContact O-N 2.93Å; I88-V92 HydrophobicContact CG2-CG2 4.38Å; I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3.24Å
89N74.3Confident69.9Low66 Ų6681.5 Ų81.535%0.35347%0.467SS..Hα-helixtrans-60.7-41.1177.4-73.5-31.2000111.4L85 D86 L91 V92 D93L85-N89 WeakPolarHBondContact O-CB 3.47Å; L85-N89 VanDerWaalsContact O-CG 3.28Å; L85-N89 PolarHBondContact O-N 3.45Å; L85-N89 PolarHBondContact O-ND2 3.16Å; D86-N89 PolarHBondContact O-N 3.21Å; N89-L91 PolarHBondContact O-N 2.93Å; N89-V92 PolarHBondContact O-N 3.43Å; N89-D93 WeakPolarHBondContact O-CB 3.45Å; N89-D93 PolarHBondContact O-N 2.86Å
90S76.4Confident68.7Low77 Ų7784.5 Ų84.554%0.53848%0.481SS..Hα-helixtrans-64-39.8175.8-60.20000112.3D86 N87 I88 D93 G94D86-S90 WeakPolarHBondContact O-CB 3.27Å; D86-S90 PolarHBondContact O-N 3Å; D86-S90 PolarHBondContact O-OG 3.18Å; N87-S90 PolarHBondContact O-N 3.05Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 2.92Å; S90-D93 PolarHBondContact O-N 3.02Å; S90-G94 PolarHBondContact O-N 3Å
91L75.4Confident67.3Low119 Ų11986.5 Ų86.562%0.62349%0.489SS*.Hα-helixtrans-64.9-44.7174.4-17767.1000111.1N87 I88 N89 G94 V95N87-L91 PolarHBondContact O-N 3.15Å; I88-L91 WeakPolarHBondContact O-CB 3.49Å; I88-L91 PolarHBondContact O-N 2.93Å; N89-L91 PolarHBondContact O-N 2.93Å; L91-G94 PolarHBondContact O-N 2.9Å; L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 3.4Å
92V74.2Confident65.9Low61 Ų6189 Ų8937%0.3751%0.511SS..Hα-helixtrans-61.9-44.2177171.40000110.6I88 N89 G94 V95 L96I88-V92 HydrophobicContact CG2-CG2 4.38Å; I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3.24Å; N89-V92 PolarHBondContact O-N 3.43Å; V92-G94 VanDerWaalsContact C-N 3.3Å; V92-G94 PolarHBondContact O-N 3.02Å; V92-V95 PolarHBondContact O-N 3.01Å; V92-L96 HydrophobicContact CG1-CD1 3.91Å; V92-L96 HydrophobicContact CG1-CG 4.25Å; V92-L96 WeakPolarHBondContact O-CB 3.3Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.12Å; V92-L96 PolarHBondContact O-N 3.38Å
93D69.8Low64.7Low101 Ų10193.2 Ų93.254%0.5453%0.527SS..Hα-helixtrans-62-38.4175.2-78.9-14.7000111.7N89 S90 S97N89-D93 WeakPolarHBondContact O-CB 3.45Å; N89-D93 PolarHBondContact O-N 2.86Å; S90-D93 PolarHBondContact O-N 3.02Å; D93-S97 VanDerWaalsContact O-CB 3.27Å; D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.94Å; D93-S97 PolarHBondContact O-OG 2.85Å
94G61.9Low63.4Low34 Ų3494 Ų9435%0.35153%0.533SS..Hα-helixtrans-63.2-46.9172.700000112.9S90 L91 V92 S97 L98S90-G94 PolarHBondContact O-N 3Å; L91-G94 PolarHBondContact O-N 2.9Å; V92-G94 VanDerWaalsContact C-N 3.3Å; V92-G94 PolarHBondContact O-N 3.02Å; G94-S97 WeakPolarHBondContact O-CB 3.39Å; G94-S97 PolarHBondContact O-N 3.28Å; G94-L98 WeakPolarHBondContact O-CG 3.47Å; G94-L98 PolarHBondContact O-N 2.99Å
95V63.1Low62.1Low78 Ų7894 Ų9447%0.47355%0.552SS.*Hα-helixtrans-65.6-40.8177.7172.30000111.6L91 V92 S97 L98 S99L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 3.4Å; V92-V95 PolarHBondContact O-N 3.01Å; V95-S97 VanDerWaalsContact C-N 3.33Å; V95-L98 PolarHBondContact O-N 2.75Å; V95-S99 WeakPolarHBondContact O-CB 3.4Å; V95-S99 PolarHBondContact O-N 3.08Å; V95-S99 PolarHBondContact O-OG 3.4Å
96L56Low60.6Low68 Ų6892.9 Ų92.936%0.35656%0.561SS.*Hα-helixtrans-64.8-39.5173.8-72.1175.6000110.9V92 L98 S99 C100V92-L96 HydrophobicContact CG1-CD1 3.91Å; V92-L96 HydrophobicContact CG1-CG 4.25Å; V92-L96 WeakPolarHBondContact O-CB 3.3Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.12Å; V92-L96 PolarHBondContact O-N 3.38Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 2.96Å; L96-S99 CarbonylContact O-C 3.54Å; L96-S99 WeakPolarHBondContact O-CB 2.8Å; L96-S99 PolarHBondContact O-N 3.21Å; L96-S99 VanDerWaalsContact O-N 3.12Å; L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 2.84Å; L96-C100 PolarHBondContact O-SG 3.19Å
97S56.2Low59Low76 Ų7694 Ų9453%0.53156%0.562SS.*Hα-helixtrans-62.5-40.8175.8-62.20000111.9D93 G94 V95 S99 C100 M101D93-S97 VanDerWaalsContact O-CB 3.27Å; D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.94Å; D93-S97 PolarHBondContact O-OG 2.85Å; G94-S97 WeakPolarHBondContact O-CB 3.39Å; G94-S97 PolarHBondContact O-N 3.28Å; V95-S97 VanDerWaalsContact C-N 3.33Å; S97-S99 VanDerWaalsContact C-N 3.34Å; S97-C100 PolarHBondContact O-N 3.24Å; S97-M101 PolarHBondContact O-N 3.19Å
98L54.7Low57.3Low120 Ų12094.8 Ų94.863%0.62857%0.57SS**Hα-helixtrans-66-36.4172.5-68.9171.2000111.9G94 V95 L96 C100 M101G94-L98 WeakPolarHBondContact O-CG 3.47Å; G94-L98 PolarHBondContact O-N 2.99Å; V95-L98 PolarHBondContact O-N 2.75Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 2.96Å; L98-C100 VanDerWaalsContact C-N 3.28Å; L98-C100 PolarHBondContact O-N 3.11Å; L98-M101 HydrophobicContact CD2-SD 4.44Å; L98-M101 WeakPolarHBondContact O-CB 3.34Å; L98-M101 PolarHBondContact O-N 3.34Å
99S53.5Low55.5Low87 Ų8792.5 Ų92.561%0.60857%0.57SS**Hα-helixtrans-69.6-27.3175.3-54.60000112.4V95 L96 S97V95-S99 WeakPolarHBondContact O-CB 3.4Å; V95-S99 PolarHBondContact O-N 3.08Å; V95-S99 PolarHBondContact O-OG 3.4Å; L96-S99 CarbonylContact O-C 3.54Å; L96-S99 WeakPolarHBondContact O-CB 2.8Å; L96-S99 PolarHBondContact O-N 3.21Å; L96-S99 VanDerWaalsContact O-N 3.12Å; S97-S99 VanDerWaalsContact C-N 3.34Å
100C47.3Very low53.8Low97 Ų9798.4 Ų98.466%0.65559%0.593SS**THydrogen-bonded Turntrans-84.6-4.8174.3-68.40000113.8L96 S97 L98 S102L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 2.84Å; L96-C100 PolarHBondContact O-SG 3.19Å; S97-C100 PolarHBondContact O-N 3.24Å; L98-C100 VanDerWaalsContact C-N 3.28Å; L98-C100 PolarHBondContact O-N 3.11Å; C100-S102 PolarHBondContact O-N 3.43Å; C100-S102 PolarHBondContact O-OG 3.24Å
101M45.8Very low52Low131 Ų13198.8 Ų98.865%0.64560%0.595SS**  trans-68.473.6160-65.1-165.878.400107.8S97 L98 H103S97-M101 PolarHBondContact O-N 3.19Å; L98-M101 HydrophobicContact CD2-SD 4.44Å; L98-M101 WeakPolarHBondContact O-CB 3.34Å; L98-M101 PolarHBondContact O-N 3.34Å; M101-H103 VanDerWaalsContact C-N 3.34Å; M101-H103 PolarHBondContact O-N 3.47Å
102S46.2Very low50.4Low107 Ų107100.3 Ų100.375%0.74860%0.603SS**  trans-54.2101.5167.637.50000106.9C100C100-S102 PolarHBondContact O-N 3.43Å; C100-S102 PolarHBondContact O-OG 3.24Å
103H49.2Very low48.7Very low127 Ų127102 Ų10259%0.58861%0.609SS**  trans-51138163-63.7-72.6000107.6M101 F107M101-H103 VanDerWaalsContact C-N 3.34Å; M101-H103 PolarHBondContact O-N 3.47Å; H103-F107 HydrophobicContact CB-CB 3.84Å
104P46.8Very low47.9Very low95 Ų95106.1 Ų106.162%0.61763%0.626SS**  trans-53.5140.4171.823.1-31.5000108.2G106 F107P104-G106 PolarHBondContact O-N 3.17Å; P104-F107 PolarHBondContact O-N 3.12Å
105P49.4Very low47.5Very low146 Ų146112.1 Ų112.195%0.94865%0.65SS**THydrogen-bonded Turntrans-62.792.1176.626-32.3000107.8
106G44Very low47Very low63 Ų63112.2 Ų112.265%0.64965%0.653SS**THydrogen-bonded Turntrans154.6-12.9-162.400000114.8P104 V108P104-G106 PolarHBondContact O-N 3.17Å; G106-V108 PolarHBondContact O-N 2.86Å
107F42.1Very low47Very low123 Ų123116.7 Ų116.754%0.53968%0.677SS.*  trans-72.678.4165-165.9-101.3000109.7H103 P104 G109H103-F107 HydrophobicContact CB-CB 3.84Å; P104-F107 PolarHBondContact O-N 3.12Å; F107-G109 PolarHBondContact O-N 3.28Å
108V39.9Very low47.3Very low119 Ų119121.9 Ų121.972%0.72169%0.693SS**  trans-65.4113.7158.1-174.80000104.5G106G106-V108 PolarHBondContact O-N 2.86Å
109G39.6Very low47.7Very low47 Ų47123.1 Ų123.149%0.48569%0.694SS.*SBendtrans-48.3145.1-177.600000111.2F107 S111F107-G109 PolarHBondContact O-N 3.28Å; G109-S111 PolarHBondContact O-N 3.11Å
110F38.5Very low48.4Very low190 Ų190122.6 Ų122.683%0.83368%0.684SS**  trans9.979.6176.3-61.2-82.4000113.1I112F110-I112 VanDerWaalsContact C-N 3.33Å; F110-I112 PolarHBondContact O-N 3.48Å
111S39.4Very low49.1Very low85 Ų85122.2 Ų122.259%0.59468%0.681SS**  trans-59.5110.2161.448.50000105.2G109 N113G109-S111 PolarHBondContact O-N 3.11Å; S111-N113 PolarHBondContact O-N 3.16Å
112I41.7Very low50.1Low152 Ų152119.4 Ų119.478%0.77967%0.674SS**  trans-51.299.5157.1-69.7165.4000103.6F110 E114F110-I112 VanDerWaalsContact C-N 3.33Å; F110-I112 PolarHBondContact O-N 3.48Å; I112-E114 PolarHBondContact O-N 3.38Å; I112-E114 VanDerWaalsContact O-N 3.11Å
113N38.6Very low51.5Low95 Ų95120.4 Ų120.451%0.50867%0.671SS.*  trans-60.5114.2161.8-70.4-33.3000103.3S111 D115 C116S111-N113 PolarHBondContact O-N 3.16Å; N113-D115 PolarHBondContact O-N 2.92Å; N113-C116 HydrophobicContact CB-CB 3.9Å; N113-C116 VanDerWaalsContact CB-SG 3.5Å; N113-C116 PolarHBondContact ND2-SG 2.9Å; N113-C116 VanDerWaalsContact ND2-SG 3.44Å; N113-C116 PolarHBondContact O-N 3.27Å
114E51.2Low52.4Low188 Ų188121.3 Ų121.388%0.87967%0.673SS**THydrogen-bonded Turntrans-59-9.4176.8-75.4-170.6151.700112.5I112I112-E114 PolarHBondContact O-N 3.38Å; I112-E114 VanDerWaalsContact O-N 3.11Å
115D54.9Low53.6Low161 Ų161124.9 Ų124.986%0.86168%0.682SS**THydrogen-bonded Turntrans-105.83.3175.3-63.4-37.4000114.3N113N113-D115 PolarHBondContact O-N 2.92Å
116C51.4Low54.7Low79 Ų79122 Ų12253%0.53466%0.658SS.*SBendtrans-94.7123171-73.60000108.3N113 E118N113-C116 HydrophobicContact CB-CB 3.9Å; N113-C116 VanDerWaalsContact CB-SG 3.5Å; N113-C116 PolarHBondContact ND2-SG 2.9Å; N113-C116 VanDerWaalsContact ND2-SG 3.44Å; N113-C116 PolarHBondContact O-N 3.27Å; C116-E118 PolarHBondContact O-N 3.47Å; C116-E118 VanDerWaalsContact O-N 3.1Å
117D56Low56.2Low163 Ų163122 Ų12287%0.87265%0.645SS**  trans-37.7120.1175.5-65-53.2000109.8F119D117-F119 PolarHBondContact O-N 3.29Å; D117-F119 VanDerWaalsContact O-N 3.09Å
118E62.4Low57.7Low184 Ų184122.2 Ų122.286%0.8665%0.652SS**  trans-46121.5176.4-177.6171.8-174.900107.6C116 D120C116-E118 PolarHBondContact O-N 3.47Å; C116-E118 VanDerWaalsContact O-N 3.1Å; E118-D120 PolarHBondContact O-N 2.94Å
119F63.7Low59.4Low147 Ų147120.3 Ų120.365%0.64564%0.644SS**  trans-57101.8178.6173.5-93000108D117 P121 F124D117-F119 PolarHBondContact O-N 3.29Å; D117-F119 VanDerWaalsContact O-N 3.09Å; F119-P121 HydrophobicContact CE1-CB 4.36Å; F119-P121 VanDerWaalsContact O-CD 3.28Å; F119-P121 WeakPolarHBondContact O-CD 3.49Å; F119-F124 HydrophobicContact CD2-CE2 4.42Å; F119-F124 HydrophobicContact CE2-CD2 4.12Å; F119-F124 AromaticContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CZ 4.09Å; F119-F124 AromaticContact CZ-CD2 3.9Å; F119-F124 HydrophobicContact CZ-CD2 3.9Å; F119-F124 AromaticContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CZ 4.38Å
120D67.4Low60.7Low75 Ų75123.4 Ų123.440%0.40165%0.646SS.*  trans-88111.8176.5-170.8-6.9000107.5E118 S122 D123E118-D120 PolarHBondContact O-N 2.94Å; D120-S122 PolarHBondContact O-N 3.05Å; D120-S122 WeakPolarHBondContact OD1-CB 3.43Å; D120-S122 PolarHBondContact OD1-N 3.5Å; D120-S122 PolarHBondContact OD1-OG 3.12Å; D120-S122 PolarHBondContact OD2-OG 3.16Å; D120-D123 VanDerWaalsContact O-CB 3.32Å; D120-D123 WeakPolarHBondContact O-CB 3.37Å; D120-D123 PolarHBondContact O-N 3.27Å
121P62.2Low62.1Low90 Ų90119 Ų11958%0.58463%0.627SS**G310 helixtrans-59.8-14.1173.825.7-34000112.6F119 D123 F124F119-P121 HydrophobicContact CE1-CB 4.36Å; F119-P121 VanDerWaalsContact O-CD 3.28Å; F119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-D123 PolarHBondContact O-N 3.46Å; P121-F124 PolarHBondContact O-N 3.03Å; P121-F124 VanDerWaalsContact O-N 3.16Å
122S67.3Low63.3Low72 Ų72120 Ų12050%0.50363%0.625SS.*G310 helixtrans-64.8-21.3170.789.20000113.4D120 F124 E125D120-S122 PolarHBondContact O-N 3.05Å; D120-S122 WeakPolarHBondContact OD1-CB 3.43Å; D120-S122 PolarHBondContact OD1-N 3.5Å; D120-S122 PolarHBondContact OD1-OG 3.12Å; D120-S122 PolarHBondContact OD2-OG 3.16Å; S122-F124 PolarHBondContact O-N 2.99Å; S122-E125 PolarHBondContact O-N 3.49Å
123D74.7Confident64.7Low128 Ų128117 Ų11768%0.68462%0.615SS**G310 helixtrans-65.9-22.7172.4-71.5-20.4000112.4D120 P121 E125D120-D123 VanDerWaalsContact O-CB 3.32Å; D120-D123 WeakPolarHBondContact O-CB 3.37Å; D120-D123 PolarHBondContact O-N 3.27Å; P121-D123 PolarHBondContact O-N 3.46Å; D123-E125 VanDerWaalsContact C-N 3.25Å; D123-E125 PolarHBondContact O-N 3.1Å
124F69.3Low66.1Low146 Ų146117.7 Ų117.764%0.6462%0.616SS**  trans-92.750.2173.6-69.6-96.2000110.5F119 P121 S122 I126F119-F124 HydrophobicContact CD2-CE2 4.42Å; F119-F124 HydrophobicContact CE2-CD2 4.12Å; F119-F124 AromaticContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CZ 4.09Å; F119-F124 AromaticContact CZ-CD2 3.9Å; F119-F124 HydrophobicContact CZ-CD2 3.9Å; F119-F124 AromaticContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CZ 4.38Å; P121-F124 PolarHBondContact O-N 3.03Å; P121-F124 VanDerWaalsContact O-N 3.16Å; S122-F124 PolarHBondContact O-N 2.99Å; F124-I126 PolarHBondContact O-N 3.22Å
125E72.4Confident66.7Low170 Ų170114 Ų11479%0.79460%0.598SS**  trans-70.3101.1166.4-165.4168.8-150.400108.3S122 D123 P127S122-E125 PolarHBondContact O-N 3.49Å; D123-E125 VanDerWaalsContact C-N 3.25Å; D123-E125 PolarHBondContact O-N 3.1Å; E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.48Å
126I71.7Confident66.9Low86 Ų86110 Ų11044%0.44158%0.582SS.*  trans-65.9118.9172-59.3175.5000106.6F124 D128 E130 F131 M134F124-I126 PolarHBondContact O-N 3.22Å; I126-D128 PolarHBondContact O-N 3Å; I126-E130 HydrophobicContact CG2-CB 3.73Å; I126-F131 HydrophobicContact CG2-CB 4.33Å; I126-M134 HydrophobicContact CD1-CE 4.35Å; I126-M134 HydrophobicContact CG2-CE 4.22Å
127P75.8Confident67.1Low61 Ų61111.5 Ų111.540%0.39659%0.592SS.*  trans-56138.5177.6-21.531.4000109.9E125 S129 E130 F131E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-S129 PolarHBondContact O-N 3Å; P127-E130 PolarHBondContact O-N 3.47Å; P127-F131 PolarHBondContact O-N 3.15Å; P127-F131 VanDerWaalsContact O-N 3.15Å
128D73.5Confident66.9Low128 Ų128110.4 Ų110.468%0.68459%0.585SS**Hα-helixtrans-51.4-27.5178.8-77.3-24.4000112.6I126 N132I126-D128 PolarHBondContact O-N 3Å; D128-N132 VanDerWaalsContact O-CB 3.23Å; D128-N132 WeakPolarHBondContact O-CB 3.46Å; D128-N132 PolarHBondContact O-N 3.34Å; D128-N132 PolarHBondContact O-ND2 3.04Å
129S75.1Confident66.2Low79 Ų79107.8 Ų107.855%0.55261%0.608SS**Hα-helixtrans-63.1-40.1173.753.70000113.6P127 T133P127-S129 PolarHBondContact O-N 3Å; S129-T133 WeakPolarHBondContact O-CB 3.4Å; S129-T133 PolarHBondContact O-N 3.41Å; S129-T133 VanDerWaalsContact O-N 3.14Å; S129-T133 PolarHBondContact O-OG1 3.32Å
130E67.3Low66.3Low113 Ų113105.8 Ų105.853%0.52861%0.606SS.*Hα-helixtrans-76.7-39.5178.3-69.8-178.9-161.700110.9I126 P127 T133 M134I126-E130 HydrophobicContact CG2-CB 3.73Å; P127-E130 PolarHBondContact O-N 3.47Å; E130-T133 PolarHBondContact O-N 2.96Å; E130-M134 PolarHBondContact O-N 3.5Å
131F67.6Low66.3Low98 Ų98107.4 Ų107.443%0.4362%0.617SS.*Hα-helixtrans-60.4-49.1174.3-170.4-92.4000111.1I126 P127 T133 M134 F135I126-F131 HydrophobicContact CG2-CB 4.33Å; P127-F131 PolarHBondContact O-N 3.15Å; P127-F131 VanDerWaalsContact O-N 3.15Å; F131-T133 VanDerWaalsContact C-N 3.27Å; F131-T133 PolarHBondContact O-N 3.39Å; F131-M134 HydrophobicContact CD2-CE 4.46Å; F131-M134 PolarHBondContact O-N 2.92Å; F131-F135 AromaticContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CE2 4.3Å; F131-F135 HydrophobicContact CD2-CD2 4.39Å; F131-F135 HydrophobicContact CD2-CE2 4.02Å; F131-F135 AromaticContact CE1-CD2 3.66Å; F131-F135 HydrophobicContact CE1-CD2 3.66Å; F131-F135 AromaticContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE2-CD2 4.11Å; F131-F135 AromaticContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CE2 3.45Å; F131-F135 VanDerWaalsContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CZ 4.35Å; F131-F135 HydrophobicContact CG-CD2 4.34Å; F131-F135 HydrophobicContact CG-CE2 4.42Å; F131-F135 AromaticContact CZ-CD2 3.73Å; F131-F135 HydrophobicContact CZ-CD2 3.73Å; F131-F135 AromaticContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CZ 4.1Å; F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 3.25Å
132N66Low66.5Low104 Ų104108.4 Ų108.456%0.55662%0.618SS**Hα-helixtrans-62.6-33.9177.4-74-39.9000112.4D128 F135 S136D128-N132 VanDerWaalsContact O-CB 3.23Å; D128-N132 WeakPolarHBondContact O-CB 3.46Å; D128-N132 PolarHBondContact O-N 3.34Å; D128-N132 PolarHBondContact O-ND2 3.04Å; N132-F135 PolarHBondContact O-N 2.86Å; N132-S136 VanDerWaalsContact O-CB 3.26Å; N132-S136 WeakPolarHBondContact O-CB 3.15Å; N132-S136 PolarHBondContact O-N 3.22Å
133T70.1Confident66.4Low91 Ų91110.5 Ų110.556%0.55863%0.625SS**Hα-helixtrans-65.1-43.9175.8-56.70000111.2S129 E130 F131 F135 S136S129-T133 WeakPolarHBondContact O-CB 3.4Å; S129-T133 PolarHBondContact O-N 3.41Å; S129-T133 VanDerWaalsContact O-N 3.14Å; S129-T133 PolarHBondContact O-OG1 3.32Å; E130-T133 PolarHBondContact O-N 2.96Å; F131-T133 VanDerWaalsContact C-N 3.27Å; F131-T133 PolarHBondContact O-N 3.39Å; T133-F135 VanDerWaalsContact C-N 3.28Å; T133-F135 PolarHBondContact O-N 2.75Å; T133-S136 PolarHBondContact O-N 3Å; T133-S136 PolarHBondContact O-OG 2.86Å
134M67.3Low65.9Low109 Ų109109.4 Ų109.454%0.53762%0.621SS.*Hα-helixtrans-62-34.3178.6-71.9-173-73.300113.1I126 E130 F131I126-M134 HydrophobicContact CD1-CE 4.35Å; I126-M134 HydrophobicContact CG2-CE 4.22Å; E130-M134 PolarHBondContact O-N 3.5Å; F131-M134 HydrophobicContact CD2-CE 4.46Å; F131-M134 PolarHBondContact O-N 2.92Å
135F64.5Low65.7Low111 Ų111107 Ų10749%0.48762%0.62SS.*Hα-helixtrans-94-9.7178.8-70.3-82.2000114.6F131 N132 T133 C137 L138F131-F135 AromaticContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CE2 4.3Å; F131-F135 HydrophobicContact CD2-CD2 4.39Å; F131-F135 HydrophobicContact CD2-CE2 4.02Å; F131-F135 AromaticContact CE1-CD2 3.66Å; F131-F135 HydrophobicContact CE1-CD2 3.66Å; F131-F135 AromaticContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE2-CD2 4.11Å; F131-F135 AromaticContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CE2 3.45Å; F131-F135 VanDerWaalsContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CZ 4.35Å; F131-F135 HydrophobicContact CG-CD2 4.34Å; F131-F135 HydrophobicContact CG-CE2 4.42Å; F131-F135 AromaticContact CZ-CD2 3.73Å; F131-F135 HydrophobicContact CZ-CD2 3.73Å; F131-F135 AromaticContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CZ 4.1Å; F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 3.25Å; N132-F135 PolarHBondContact O-N 2.86Å; T133-F135 VanDerWaalsContact C-N 3.28Å; T133-F135 PolarHBondContact O-N 2.75Å; F135-C137 PolarHBondContact O-N 2.9Å; F135-L138 HydrophobicContact CD1-CD1 3.67Å; F135-L138 HydrophobicContact CE1-CD1 4.16Å; F135-L138 PolarHBondContact O-N 3.48Å
136S60Low65.2Low76 Ų76102.5 Ų102.553%0.53161%0.608SS.*Hα-helixtrans-67.7-22.4176.265.30000113.6N132 T133 L138N132-S136 VanDerWaalsContact O-CB 3.26Å; N132-S136 WeakPolarHBondContact O-CB 3.15Å; N132-S136 PolarHBondContact O-N 3.22Å; T133-S136 PolarHBondContact O-N 3Å; T133-S136 PolarHBondContact O-OG 2.86Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact O-N 3.42Å
137C55.9Low64.7Low110 Ų110103.8 Ų103.874%0.74362%0.621SS**THydrogen-bonded Turntrans-81.61.3176-61.60000114.1F135F135-C137 PolarHBondContact O-N 2.9Å
138L51.3Low63.8Low140 Ų140107.3 Ų107.373%0.73364%0.639SS**THydrogen-bonded Turntrans-101.64.4-179.9-80.4158.8000113.7F135 S136F135-L138 HydrophobicContact CD1-CD1 3.67Å; F135-L138 HydrophobicContact CE1-CD1 4.16Å; F135-L138 PolarHBondContact O-N 3.48Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact O-N 3.42Å
139G47Very low62.9Low129 Ų129105.5 Ų105.5100%1.3364%0.635SS**  trans-112.30168.800000111.5

Retrieved 139 of 139 residues in 475.2 ms (Link to these results)