A0A3Q0KDZ9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KDZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M45.3Very low68.9Low242 Ų242109.5 Ų109.5100%1.19262%0.618SS**  022.50-89.5171.2126.700113.6
2S56.8Low70Confident93 Ų93109.8 Ų109.865%0.6562%0.616SS**  trans-107.5-6.3-164.3-166.90000117T5S2-T5 PolarHBondContact O-OG1 2.96Å
3T55.6Low71Confident108 Ų108109.3 Ų109.366%0.66361%0.609SS**Hα-helixtrans-91.7-25.3-174.142.90000113.7T6T3-T6 PolarHBondContact O-OG1 3.34Å
4N63.8Low71.4Confident121 Ų121107.9 Ų107.965%0.64760%0.599SS**Hα-helixtrans-75.6-32.5-179.6-76.2-3.4000112.4I8N4-I8 WeakPolarHBondContact O-CD1 3.28Å; N4-I8 VanDerWaalsContact O-CG1 3.24Å; N4-I8 WeakPolarHBondContact O-CG1 3.2Å; N4-I8 PolarHBondContact O-N 3.49Å
5T68.4Low71.7Confident84 Ų84107.9 Ų107.952%0.51559%0.592SS.*Hα-helixtrans-66.6-37.2-180340000112.4S2 S9S2-T5 PolarHBondContact O-OG1 2.96Å; T5-S9 WeakPolarHBondContact O-CB 3.26Å; T5-S9 PolarHBondContact O-N 3.06Å; T5-S9 VanDerWaalsContact O-N 3.09Å; T5-S9 PolarHBondContact O-OG 3.12Å
6T76.4Confident72.2Confident86 Ų86107.5 Ų107.553%0.52859%0.588SS.*Hα-helixtrans-68.7-41.5178.742.50000112.5T3 S9 V10T3-T6 PolarHBondContact O-OG1 3.34Å; T6-S9 PolarHBondContact O-N 3.31Å; T6-V10 WeakPolarHBondContact O-CG2 2.85Å; T6-V10 PolarHBondContact O-N 3.47Å; T6-V10 VanDerWaalsContact O-N 3.13Å
7V76.3Confident72.1Confident92 Ų92108.5 Ų108.556%0.55859%0.588SS**Hα-helixtrans-65.5-43.6178.51790000111.2S9 V10 F11V7-S9 VanDerWaalsContact C-N 3.33Å; V7-S9 PolarHBondContact O-N 2.78Å; V7-V10 PolarHBondContact O-N 3.28Å; V7-F11 PolarHBondContact O-N 2.84Å
8I79Confident71.8Confident102 Ų102108.2 Ų108.252%0.52359%0.585SS.*Hα-helixtrans-61.9-42.6177.6-67.2167.3000110.7N4 V10 F11 L12N4-I8 WeakPolarHBondContact O-CD1 3.28Å; N4-I8 VanDerWaalsContact O-CG1 3.24Å; N4-I8 WeakPolarHBondContact O-CG1 3.2Å; N4-I8 PolarHBondContact O-N 3.49Å; I8-V10 PolarHBondContact O-N 2.65Å; I8-F11 PolarHBondContact O-N 3.49Å; I8-L12 HydrophobicContact CG2-CD1 3.95Å; I8-L12 WeakPolarHBondContact O-CG 3.2Å; I8-L12 PolarHBondContact O-N 2.88Å
9S76.5Confident71.6Confident65 Ų65109.2 Ų109.246%0.45558%0.584SS.*Hα-helixtrans-61.2-43.2177.5-65.50000112.8T5 T6 V7 L12 I13T5-S9 WeakPolarHBondContact O-CB 3.26Å; T5-S9 PolarHBondContact O-N 3.06Å; T5-S9 VanDerWaalsContact O-N 3.09Å; T5-S9 PolarHBondContact O-OG 3.12Å; T6-S9 PolarHBondContact O-N 3.31Å; V7-S9 VanDerWaalsContact C-N 3.33Å; V7-S9 PolarHBondContact O-N 2.78Å; S9-L12 PolarHBondContact O-N 3.41Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.36Å; S9-I13 PolarHBondContact O-N 2.96Å; S9-I13 VanDerWaalsContact O-N 3.11Å
10V80.8Confident71.4Confident84 Ų84108.3 Ų108.351%0.50958%0.578SS.*Hα-helixtrans-64.7-41.9177.5173.90000111.1T6 V7 I8 L12 I13 I14T6-V10 WeakPolarHBondContact O-CG2 2.85Å; T6-V10 PolarHBondContact O-N 3.47Å; T6-V10 VanDerWaalsContact O-N 3.13Å; V7-V10 PolarHBondContact O-N 3.28Å; I8-V10 PolarHBondContact O-N 2.65Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.36Å; V10-I13 PolarHBondContact O-N 3.26Å; V10-I14 HydrophobicContact CG1-CD1 4.06Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 3.45Å
11F78.5Confident71Confident128 Ų128108.3 Ų108.356%0.56158%0.582SS**Hα-helixtrans-62.6-40.3178.8-134.6-88.1000112.2V7 I8 I14 H15V7-F11 PolarHBondContact O-N 2.84Å; I8-F11 PolarHBondContact O-N 3.49Å; F11-I14 PolarHBondContact O-N 3.26Å; F11-H15 AromaticContact CD1-CE1 3.85Å; F11-H15 AromaticContact CE1-CE1 3.57Å; F11-H15 AromaticContact CE1-NE2 3.87Å; F11-H15 PolarHBondContact O-N 3.38Å; F11-H15 VanDerWaalsContact O-N 3.14Å
12L82.1Confident71.6Confident113 Ų113101.3 Ų101.359%0.59256%0.557SS**Hα-helixtrans-65.4-40.4176.4-75.7167.9000112.5I8 S9 V10 H15 L16I8-L12 HydrophobicContact CG2-CD1 3.95Å; I8-L12 WeakPolarHBondContact O-CG 3.2Å; I8-L12 PolarHBondContact O-N 2.88Å; S9-L12 PolarHBondContact O-N 3.41Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.36Å; L12-H15 PolarHBondContact O-N 3.49Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.3Å
13I83.2Confident71.2Confident103 Ų103101.4 Ų101.453%0.52855%0.549SS..Hα-helixtrans-62.1-45.2177.5-68.5164.4000110.7S9 V10 H15 L16 E17S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.36Å; S9-I13 PolarHBondContact O-N 2.96Å; S9-I13 VanDerWaalsContact O-N 3.11Å; V10-I13 PolarHBondContact O-N 3.26Å; I13-H15 PolarHBondContact O-N 2.9Å; I13-L16 PolarHBondContact O-N 3.41Å; I13-E17 HydrophobicContact CG2-CG 4.49Å; I13-E17 WeakPolarHBondContact O-CG 3.32Å; I13-E17 PolarHBondContact O-N 3.02Å
14I77.5Confident70.7Confident90 Ų90102.8 Ų102.846%0.46255%0.552SS.*Hα-helixtrans-62.7-42.9179.3-67.1166000111.1V10 F11 L18V10-I14 HydrophobicContact CG1-CD1 4.06Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 3.45Å; F11-I14 PolarHBondContact O-N 3.26Å; I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 PolarHBondContact O-N 3.44Å; I14-L18 VanDerWaalsContact O-N 3.08Å
15H75.3Confident69.7Low108 Ų108101.4 Ų101.450%0.555%0.55SS..Hα-helixtrans-67.7-37177.6-79.925.8000112.2F11 L12 I13 L18 F19F11-H15 AromaticContact CD1-CE1 3.85Å; F11-H15 AromaticContact CE1-CE1 3.57Å; F11-H15 AromaticContact CE1-NE2 3.87Å; F11-H15 PolarHBondContact O-N 3.38Å; F11-H15 VanDerWaalsContact O-N 3.14Å; L12-H15 PolarHBondContact O-N 3.49Å; I13-H15 PolarHBondContact O-N 2.9Å; H15-L18 PolarHBondContact O-N 3.11Å; H15-F19 WeakPolarHBondContact O-CB 3.42Å; H15-F19 PolarHBondContact O-N 3.47Å
16L79.9Confident68.4Low101 Ų101105.4 Ų105.453%0.52957%0.566SS.*Hα-helixtrans-65.8-43.4176.6-171.867.5000111.7L12 I13 F19 I20L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.3Å; I13-L16 PolarHBondContact O-N 3.41Å; L16-F19 PolarHBondContact O-N 3.3Å; L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.46Å
17E70.3Confident66.4Low124 Ų124108.5 Ų108.558%0.57957%0.574SS**Hα-helixtrans-59.5-49.1174.4-74.9-88.7154.300111.5I13 F19 I20 V21I13-E17 HydrophobicContact CG2-CG 4.49Å; I13-E17 WeakPolarHBondContact O-CG 3.32Å; I13-E17 PolarHBondContact O-N 3.02Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 3.47Å; E17-I20 PolarHBondContact O-N 3.39Å; E17-V21 WeakPolarHBondContact O-CG2 3.24Å; E17-V21 PolarHBondContact O-N 3.18Å
18L66.3Low64.7Low104 Ų104110 Ų11055%0.54558%0.584SS.*Hα-helixtrans-59.9-39175.6-86.1159.7000112.3I14 H15 S22I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 PolarHBondContact O-N 3.44Å; I14-L18 VanDerWaalsContact O-N 3.08Å; H15-L18 PolarHBondContact O-N 3.11Å; L18-S22 WeakPolarHBondContact O-CB 3.39Å; L18-S22 PolarHBondContact O-N 3Å; L18-S22 PolarHBondContact O-OG 3.25Å
19F67.9Low62.7Low126 Ų126111.5 Ų111.555%0.55359%0.593SS**Hα-helixtrans-68.4-43.7177.8-171.3-118.1000111.5H15 L16 E17 V21 S22 L23H15-F19 WeakPolarHBondContact O-CB 3.42Å; H15-F19 PolarHBondContact O-N 3.47Å; L16-F19 PolarHBondContact O-N 3.3Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 3.47Å; F19-V21 PolarHBondContact O-N 3.33Å; F19-S22 CarbonylContact O-C 3.57Å; F19-S22 PolarHBondContact O-N 3.13Å; F19-S22 VanDerWaalsContact O-N 3.12Å; F19-L23 HydrophobicContact CD1-CD1 3.44Å; F19-L23 VanDerWaalsContact CD1-CD1 3.44Å; F19-L23 HydrophobicContact CD2-CD1 4.18Å; F19-L23 HydrophobicContact CE1-CD1 3.02Å; F19-L23 HydrophobicContact CE1-CG 4.27Å; F19-L23 HydrophobicContact CE2-CD1 3.82Å; F19-L23 HydrophobicContact CE2-CG 4.33Å; F19-L23 HydrophobicContact CG-CD1 4.01Å; F19-L23 HydrophobicContact CZ-CD1 3.23Å; F19-L23 HydrophobicContact CZ-CG 4.14Å; F19-L23 VanDerWaalsContact O-CB 3.28Å; F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3.02Å
20I68Low60.8Low91 Ų91115 Ų11547%0.46761%0.607SS.*Hα-helixtrans-61.3-42.6175.4-69.9165.7000111.1L16 E17 S22 L23 L24L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.46Å; E17-I20 PolarHBondContact O-N 3.39Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 3.09Å; I20-L23 PolarHBondContact O-N 2.73Å; I20-L24 PolarHBondContact O-N 2.97Å
21V63Low58.8Low109 Ų109118.9 Ų118.966%0.66162%0.623SS**Hα-helixtrans-63.5-35.9175.3173.10000111.3E17 F19E17-V21 WeakPolarHBondContact O-CG2 3.24Å; E17-V21 PolarHBondContact O-N 3.18Å; F19-V21 PolarHBondContact O-N 3.33Å
22S57.5Low56.5Low95 Ų95117.9 Ų117.966%0.66463%0.627SS**Hα-helixtrans-77.1-29.1178.1-55.60000113L18 F19 I20L18-S22 WeakPolarHBondContact O-CB 3.39Å; L18-S22 PolarHBondContact O-N 3Å; L18-S22 PolarHBondContact O-OG 3.25Å; F19-S22 CarbonylContact O-C 3.57Å; F19-S22 PolarHBondContact O-N 3.13Å; F19-S22 VanDerWaalsContact O-N 3.12Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 3.09Å
23L48.7Very low54.5Low95 Ų95120.9 Ų120.950%0.49764%0.643SS.*Hα-helixtrans-89.7-7.5-179-98.2166.7000114.3F19 I20 P25F19-L23 HydrophobicContact CD1-CD1 3.44Å; F19-L23 VanDerWaalsContact CD1-CD1 3.44Å; F19-L23 HydrophobicContact CD2-CD1 4.18Å; F19-L23 HydrophobicContact CE1-CD1 3.02Å; F19-L23 HydrophobicContact CE1-CG 4.27Å; F19-L23 HydrophobicContact CE2-CD1 3.82Å; F19-L23 HydrophobicContact CE2-CG 4.33Å; F19-L23 HydrophobicContact CG-CD1 4.01Å; F19-L23 HydrophobicContact CZ-CD1 3.23Å; F19-L23 HydrophobicContact CZ-CG 4.14Å; F19-L23 VanDerWaalsContact O-CB 3.28Å; F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3.02Å; I20-L23 PolarHBondContact O-N 2.73Å; L23-P25 VanDerWaalsContact C-N 3.28Å; L23-P25 WeakPolarHBondContact O-CD 3.46Å; L23-P25 WeakPolarHBondContact O-CG 3.5Å
24L45.3Very low52.2Low138 Ų138122.9 Ų122.972%0.72365%0.65SS**SBendtrans-63.796.6165.3-132.190.5000105.9I20 I26I20-L24 PolarHBondContact O-N 2.97Å; L24-I26 PolarHBondContact O-N 3.08Å
25P42.8Very low50.4Low92 Ų92128.7 Ų128.760%0.59767%0.666SS**  trans-71.7146.9-165.5-6.224.4000106.6L23 H27L23-P25 VanDerWaalsContact C-N 3.28Å; L23-P25 WeakPolarHBondContact O-CD 3.46Å; L23-P25 WeakPolarHBondContact O-CG 3.5Å; P25-H27 PolarHBondContact O-N 3.14Å
26I41.7Very low48.6Very low168 Ų168130.7 Ų130.786%0.86267%0.67SS**  trans-59.766.2164.1-63.5153.2000107.8L24 T28L24-I26 PolarHBondContact O-N 3.08Å; I26-T28 VanDerWaalsContact C-N 3.33Å; I26-T28 PolarHBondContact O-N 3.17Å
27H34.5Very low46.9Very low150 Ų150132.3 Ų132.369%0.69467%0.669SS**  trans-102.656.9178.4-126.7-33.2000108P25P25-H27 PolarHBondContact O-N 3.14Å
28T40.8Very low45.6Very low124 Ų124131.3 Ų131.376%0.76167%0.674SS**  trans-130.477.3161.447.70000108I26I26-T28 VanDerWaalsContact C-N 3.33Å; I26-T28 PolarHBondContact O-N 3.17Å
29N36.9Very low44.7Very low133 Ų133130.5 Ų130.571%0.71167%0.666SS**  trans-54.7139.9151-72.2-25.5000108
30N36.2Very low43.8Very low140 Ų140133.5 Ų133.575%0.74967%0.673SS**SBendtrans89.586.2176-56.2-19.3000116.9T32N30-T32 PolarHBondContact O-N 3.07Å
31I38.2Very low43Very low165 Ų165133.5 Ų133.585%0.84667%0.668SS**  34.881.5118.7-48.4168.7000113.9
32T30.1Very low42.3Very low106 Ų106130.1 Ų130.165%0.6565%0.651SS**  -144.2125.5126.641.70000106.7N30 Q34N30-T32 PolarHBondContact O-N 3.07Å; T32-Q34 PolarHBondContact O-N 2.84Å
33L40.8Very low41.6Very low177 Ų177133.9 Ų133.993%0.92765%0.652SS**  trans-69.424.2173.3-127.1134.9000111.7R35L33-R35 PolarHBondContact O-N 2.77Å; L33-R35 VanDerWaalsContact O-N 3.17Å
34Q34.1Very low41.7Very low145 Ų145135.8 Ų135.868%0.67865%0.654SS**  trans-83.163.4159.1-76.3-174.2-29.800108.6T32 Y36T32-Q34 PolarHBondContact O-N 2.84Å; Q34-Y36 PolarHBondContact O-N 3.19Å
35R39.5Very low41.9Very low212 Ų212131.6 Ų131.680%0.863%0.63SS**  trans-64.875.3149.2-84.5-175.6-171166.53.3106.9L33 R37 H60L33-R35 PolarHBondContact O-N 2.77Å; L33-R35 VanDerWaalsContact O-N 3.17Å; R35-R37 PolarHBondContact O-N 2.85Å; R35-H60 PolarHBondContact O-CE1 3.11Å
36Y37.3Very low42.2Very low149 Ų149129.6 Ų129.658%0.58461%0.614SS**  trans-56.899.9145.4-100.7-89000103.9Q34 P38 E59Q34-Y36 PolarHBondContact O-N 3.19Å; Y36-P38 WeakPolarHBondContact O-CD 3.07Å; Y36-E59 PolarHBondContact OH-OE1 3.06Å; Y36-E59 VanDerWaalsContact OH-OE1 3.07Å
37R44.3Very low42.7Very low135 Ų135127 Ų12751%0.50960%0.598SS.*  trans-68.3109.4161.5-165.9-178.9-163.61533.6103.4R35 K39 R40R35-R37 PolarHBondContact O-N 2.85Å; R37-K39 PolarHBondContact O-N 3.17Å; R37-R40 VanDerWaalsContact NH2-CZ 3.32Å
38P43.7Very low43.8Very low104 Ų104127.9 Ų127.968%0.67560%0.6SS**  trans-55.4130173.422.7-31000106.9Y36 R40Y36-P38 WeakPolarHBondContact O-CD 3.07Å; P38-R40 PolarHBondContact O-N 3.16Å; P38-R40 VanDerWaalsContact O-N 3.13Å
39K46.6Very low44.5Very low87 Ų87123.1 Ų123.138%0.37857%0.571SS.*  trans-49.2123.7178.7-66.8-170.5167.6-168.90107.7R37 W41 I46 E76R37-K39 PolarHBondContact O-N 3.17Å; K39-W41 PolarHBondContact O-N 3.07Å; K39-I46 HydrophobicContact CB-CD1 4.28Å; K39-I46 HydrophobicContact CD-CD1 3.9Å; K39-E76 VanDerWaalsContact CA-OE2 3.25Å; K39-E76 WeakPolarHBondContact CA-OE2 3.36Å; K39-E76 VanDerWaalsContact CB-OE2 3.28Å; K39-E76 WeakPolarHBondContact CB-OE2 3.37Å; K39-E76 WeakPolarHBondContact CD-OE1 3.25Å; K39-E76 VanDerWaalsContact CG-OE2 3.31Å; K39-E76 WeakPolarHBondContact CG-OE2 3.01Å
40R51Low45.3Very low188 Ų188119.6 Ų119.671%0.70957%0.566SS**SBendtrans-70.4-12.6-172.1-78.5-175.3168.5-176.1-4.4113.4R37 P38R37-R40 VanDerWaalsContact NH2-CZ 3.32Å; P38-R40 PolarHBondContact O-N 3.16Å; P38-R40 VanDerWaalsContact O-N 3.13Å
41W50.8Low46Very low91 Ų91125 Ų12535%0.34558%0.576SS.*SBendtrans-89.7142-173-57.1102.7000110.4K39 E45 Y78 P79K39-W41 PolarHBondContact O-N 3.07Å; W41-E45 WeakPolarHBondContact CA-OE2 3.41Å; W41-E45 HydrophobicContact CB-CB 4.29Å; W41-E45 WeakPolarHBondContact CB-OE2 3.31Å; W41-E45 VanDerWaalsContact CE3-OE2 3.28Å; W41-Y78 HydrophobicContact CH2-CD2 4.46Å; W41-Y78 HydrophobicContact CH2-CE2 4.29Å; W41-Y78 HydrophobicContact CZ2-CD2 4.3Å; W41-P79 HydrophobicContact CB-CB 3.86Å; W41-P79 HydrophobicContact CB-CG 3.74Å; W41-P79 HydrophobicContact CD2-CB 4.46Å; W41-P79 HydrophobicContact CD2-CG 3.52Å; W41-P79 VanDerWaalsContact CE2-CD 3.45Å; W41-P79 HydrophobicContact CE3-CG 3.98Å; W41-P79 HydrophobicContact CG-CB 3.83Å; W41-P79 HydrophobicContact CG-CG 3.39Å
42A47Very low46.2Very low38 Ų38119.6 Ų119.631%0.31455%0.549SS..  trans-63.6146.2179.500000109.8Y44 E45 I46A42-Y44 HydrophobicContact CB-CD1 3.44Å; A42-Y44 VanDerWaalsContact CB-CD1 3.44Å; A42-Y44 HydrophobicContact CB-CE1 3.1Å; A42-Y44 HydrophobicContact CB-CG 4.35Å; A42-Y44 PolarHBondContact O-N 3.13Å; A42-E45 HydrophobicContact CB-CG 4.4Å; A42-E45 PolarHBondContact N-OE2 2.93Å; A42-E45 WeakPolarHBondContact O-CB 3.47Å; A42-E45 PolarHBondContact O-N 2.94Å; A42-I46 PolarHBondContact O-N 2.84Å
43Y43.3Very low47Very low174 Ų174124.8 Ų124.868%0.68256%0.562SS**Hα-helixtrans-48.6-36.8-177.8-177-106.1000113E45 I46 H47Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 2.91Å; Y43-I46 PolarHBondContact O-N 3.3Å; Y43-H47 AromaticContact CD1-CD2 3.55Å; Y43-H47 AromaticContact CD1-NE2 3.79Å; Y43-H47 AromaticContact CE1-CD2 3.31Å; Y43-H47 WeakPolarHBondContact CE1-CD2 3.35Å; Y43-H47 AromaticContact CE1-NE2 3.08Å; Y43-H47 WeakPolarHBondContact CE1-NE2 3.43Å; Y43-H47 AromaticContact CE2-CD2 3.97Å; Y43-H47 AromaticContact CE2-NE2 3.41Å; Y43-H47 WeakPolarHBondContact CE2-NE2 3.39Å; Y43-H47 AromaticContact CZ-CD2 3.56Å; Y43-H47 AromaticContact CZ-CE1 3.96Å; Y43-H47 AromaticContact CZ-NE2 2.87Å; Y43-H47 PolarHBondContact O-CD2 3.5Å; Y43-H47 VanDerWaalsContact O-CD2 3.26Å; Y43-H47 PolarHBondContact O-N 3.29Å; Y43-H47 PolarHBondContact OH-NE2 3.17Å
44Y50.9Low47.2Very low136 Ų136118 Ų11853%0.53354%0.535SS..Hα-helixtrans-65-29.7177.671.9-99.2000114A42 H47 K48A42-Y44 HydrophobicContact CB-CD1 3.44Å; A42-Y44 VanDerWaalsContact CB-CD1 3.44Å; A42-Y44 HydrophobicContact CB-CE1 3.1Å; A42-Y44 HydrophobicContact CB-CG 4.35Å; A42-Y44 PolarHBondContact O-N 3.13Å; Y44-H47 PolarHBondContact O-N 2.88Å; Y44-K48 WeakPolarHBondContact O-CG 3.05Å; Y44-K48 PolarHBondContact O-N 3.2Å
45E49.9Very low48.1Very low50 Ų50114.3 Ų114.323%0.23452%0.515CS..Hα-helixtrans-72.8-35.2178.4-60.4177137.500110.6W41 A42 Y43 H47 C49 P79W41-E45 WeakPolarHBondContact CA-OE2 3.41Å; W41-E45 HydrophobicContact CB-CB 4.29Å; W41-E45 WeakPolarHBondContact CB-OE2 3.31Å; W41-E45 VanDerWaalsContact CE3-OE2 3.28Å; A42-E45 HydrophobicContact CB-CG 4.4Å; A42-E45 PolarHBondContact N-OE2 2.93Å; A42-E45 WeakPolarHBondContact O-CB 3.47Å; A42-E45 PolarHBondContact O-N 2.94Å; Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 2.91Å; E45-H47 VanDerWaalsContact C-N 3.33Å; E45-C49 PolarHBondContact O-SG 3.12Å; E45-P79 HydrophobicContact CB-CB 4.35Å; E45-P79 HydrophobicContact CB-CG 4.03Å
46I50Low49.3Very low49 Ų49105.9 Ų105.925%0.25149%0.489SS..Hα-helixtrans-68.9-31.2173.7-56.8172.2000111.1K39 A42 Y43 C49 P79K39-I46 HydrophobicContact CB-CD1 4.28Å; K39-I46 HydrophobicContact CD-CD1 3.9Å; A42-I46 PolarHBondContact O-N 2.84Å; Y43-I46 PolarHBondContact O-N 3.3Å; I46-C49 WeakPolarHBondContact O-CB 3.42Å; I46-C49 PolarHBondContact O-SG 3.08Å; I46-C49 VanDerWaalsContact O-SG 3.38Å; I46-P79 HydrophobicContact CG1-CB 4.19Å
47H51.8Low50.9Low113 Ų11399 Ų9952%0.52346%0.462SS..Hα-helixtrans-75.9-32.1177.3-86.2-74.5000113.9Y43 Y44 E45 C49 G50Y43-H47 AromaticContact CD1-CD2 3.55Å; Y43-H47 AromaticContact CD1-NE2 3.79Å; Y43-H47 AromaticContact CE1-CD2 3.31Å; Y43-H47 WeakPolarHBondContact CE1-CD2 3.35Å; Y43-H47 AromaticContact CE1-NE2 3.08Å; Y43-H47 WeakPolarHBondContact CE1-NE2 3.43Å; Y43-H47 AromaticContact CE2-CD2 3.97Å; Y43-H47 AromaticContact CE2-NE2 3.41Å; Y43-H47 WeakPolarHBondContact CE2-NE2 3.39Å; Y43-H47 AromaticContact CZ-CD2 3.56Å; Y43-H47 AromaticContact CZ-CE1 3.96Å; Y43-H47 AromaticContact CZ-NE2 2.87Å; Y43-H47 PolarHBondContact O-CD2 3.5Å; Y43-H47 VanDerWaalsContact O-CD2 3.26Å; Y43-H47 PolarHBondContact O-N 3.29Å; Y43-H47 PolarHBondContact OH-NE2 3.17Å; Y44-H47 PolarHBondContact O-N 2.88Å; E45-H47 VanDerWaalsContact C-N 3.33Å; H47-C49 PolarHBondContact O-N 3.28Å; H47-C49 VanDerWaalsContact O-N 3.16Å; H47-G50 PolarHBondContact O-N 2.89Å
48K56.9Low52.3Low169 Ų16997.4 Ų97.474%0.73546%0.464SS*.Hα-helixtrans-61.2-22.5175.9-75.4-179.9-179.4-178.20113.5Y44 G50Y44-K48 WeakPolarHBondContact O-CG 3.05Å; Y44-K48 PolarHBondContact O-N 3.2Å; K48-G50 VanDerWaalsContact C-N 3.26Å; K48-G50 PolarHBondContact O-N 3.42Å
49C55.7Low53.9Low24 Ų2496.1 Ų96.116%0.16245%0.449CS..THydrogen-bonded Turntrans-56.8-29.3179.3-75.50000115.1E45 I46 H47 I52 C80E45-C49 PolarHBondContact O-SG 3.12Å; I46-C49 WeakPolarHBondContact O-CB 3.42Å; I46-C49 PolarHBondContact O-SG 3.08Å; I46-C49 VanDerWaalsContact O-SG 3.38Å; H47-C49 PolarHBondContact O-N 3.28Å; H47-C49 VanDerWaalsContact O-N 3.16Å; C49-I52 HydrophobicContact CB-CD1 3.09Å; C49-I52 HydrophobicContact CB-CG1 3.71Å; C49-I52 WeakPolarHBondContact O-CG1 3.36Å; C49-I52 WeakPolarHBondContact SG-CD1 3.31Å; C49-C80 VanDerWaalsContact CA-SG 3.51Å; C49-C80 HydrophobicContact CB-CB 4.23Å; C49-C80 WeakPolarHBondContact CB-SG 3.37Å; C49-C80 WeakPolarHBondContact SG-CA 3.47Å; C49-C80 WeakPolarHBondContact SG-CB 3.41Å; C49-C80 CovalentContact SG-SG 2.05Å; C49-C80 PolarHBondContact SG-SG 3.34Å
50G53.3Low55.5Low59 Ų5995.3 Ų95.361%0.60845%0.446SS*.  trans64.6-161.9-173.200000113.5H47 K48 I52H47-G50 PolarHBondContact O-N 2.89Å; K48-G50 VanDerWaalsContact C-N 3.26Å; K48-G50 PolarHBondContact O-N 3.42Å; G50-I52 VanDerWaalsContact C-N 3.25Å; G50-I52 PolarHBondContact O-N 2.98Å
51R51.5Low56.9Low254 Ų25494 Ų9496%0.95844%0.441SS*.SBendtrans-71.276.8174.7-85.2-170-177.7171.31.6110.3K53R51-K53 PolarHBondContact O-N 2.77Å
52I42.8Very low58.3Low51 Ų5192.8 Ų92.826%0.26244%0.439SS..  trans-74.8122.8179.3-53.9174.3000110.9C49 G50 G54 Y55 C80C49-I52 HydrophobicContact CB-CD1 3.09Å; C49-I52 HydrophobicContact CB-CG1 3.71Å; C49-I52 WeakPolarHBondContact O-CG1 3.36Å; C49-I52 WeakPolarHBondContact SG-CD1 3.31Å; G50-I52 VanDerWaalsContact C-N 3.25Å; G50-I52 PolarHBondContact O-N 2.98Å; I52-G54 VanDerWaalsContact C-N 3.28Å; I52-Y55 HydrophobicContact CB-CE2 4.24Å; I52-Y55 HydrophobicContact CD1-CE2 4.47Å; I52-C80 HydrophobicContact CD1-CB 3.09Å; I52-C80 WeakPolarHBondContact CD1-O 3.44Å; I52-C80 VanDerWaalsContact CD1-SG 3.58Å; I52-C80 HydrophobicContact CG1-CB 4.46Å
53K45.7Very low59.9Low216 Ų21691 Ų9194%0.93942%0.424SS*.  trans-85.312169.7-61.8-175.7176.2-178.20113.9R51R51-K53 PolarHBondContact O-N 2.77Å
54G46Very low61.7Low35 Ų3587.1 Ų87.136%0.36141%0.409SS..  trans-1100.3-16300000116.3I52 S56I52-G54 VanDerWaalsContact C-N 3.28Å; G54-S56 PolarHBondContact O-N 3.43Å
55Y51.9Low63.2Low66 Ų6685 Ų8526%0.25940%0.404SS..  trans-71.8111.1172.8-65.6-71.7000109.1I52 C57 L58 P79 S82I52-Y55 HydrophobicContact CB-CE2 4.24Å; I52-Y55 HydrophobicContact CD1-CE2 4.47Å; Y55-C57 PolarHBondContact O-N 2.7Å; Y55-L58 HydrophobicContact CD1-CD2 3.99Å; Y55-L58 HydrophobicContact CD2-CD2 4.03Å; Y55-L58 HydrophobicContact CG-CD2 3.73Å; Y55-P79 PolarHBondContact OH-O 3.19Å; Y55-S82 WeakPolarHBondContact CA-OG 3.39Å; Y55-S82 WeakPolarHBondContact CD1-OG 3.5Å
56S66Low64.6Low36 Ų3689.3 Ų89.325%0.25242%0.418SS..SBendtrans-69.2-25166.573.10000111.2G54 R66 S82 S83 C84G54-S56 PolarHBondContact O-N 3.43Å; S56-R66 PolarHBondContact O-NH1 3.38Å; S56-R66 PolarHBondContact O-NH2 2.92Å; S56-S82 WeakPolarHBondContact CB-O 3.41Å; S56-S82 PolarHBondContact N-O 3.05Å; S56-S82 PolarHBondContact OG-O 2.85Å; S56-S83 WeakPolarHBondContact OG-CA 3.38Å; S56-C84 PolarHBondContact OG-N 3.12Å
57C71.1Confident66.1Low3 Ų392.3 Ų92.32%0.0243%0.427CS..  trans-153.9157.3-178.458.30000110.7Y55 H62 C63 C74 S82Y55-C57 PolarHBondContact O-N 2.7Å; C57-H62 HydrophobicContact CB-CB 4.05Å; C57-C63 VanDerWaalsContact CB-SG 3.58Å; C57-C63 VanDerWaalsContact SG-SG 3.66Å; C57-C74 HydrophobicContact CB-CB 3.7Å; C57-C74 WeakPolarHBondContact CB-SG 3.31Å; C57-C74 PolarHBondContact O-SG 3.33Å; C57-C74 WeakPolarHBondContact SG-CA 3.4Å; C57-C74 WeakPolarHBondContact SG-CB 3.43Å; C57-C74 CovalentContact SG-SG 2.03Å; C57-C74 PolarHBondContact SG-SG 3.14Å; C57-S82 PolarHBondContact N-OG 3.18Å; C57-S82 WeakPolarHBondContact O-CB 3.28Å; C57-S82 PolarHBondContact O-OG 2.92Å
58L72.4Confident67.5Low103 Ų10393.3 Ų93.354%0.53944%0.436SS..SBendtrans-118.4-32.4172.1-64.3172.6000110.3Y55 H62Y55-L58 HydrophobicContact CD1-CD2 3.99Å; Y55-L58 HydrophobicContact CD2-CD2 4.03Å; Y55-L58 HydrophobicContact CG-CD2 3.73Å; L58-H62 PolarHBondContact N-ND1 2.83Å; L58-H62 VanDerWaalsContact N-ND1 3.12Å
59E76.6Confident68.4Low77 Ų7787.2 Ų87.236%0.3641%0.408SS..SBendtrans-126.3156178.8-62.3-179.9-172.500110Y36 R61 H62 C74Y36-E59 PolarHBondContact OH-OE1 3.06Å; Y36-E59 VanDerWaalsContact OH-OE1 3.07Å; E59-R61 HydrophobicContact CB-CB 4.38Å; E59-R61 PolarHBondContact O-N 3.37Å; E59-H62 WeakPolarHBondContact O-CB 3.08Å; E59-H62 PolarHBondContact O-N 3.17Å; E59-C74 WeakPolarHBondContact O-CB 3.46Å
60H81.2Confident69.6Low69 Ų6991.7 Ų91.732%0.31943%0.427SS..Hα-helixtrans-54.5-34.9171.9-60.6160.7000111.6R35 H62 C63 Y64 C74R35-H60 PolarHBondContact O-CE1 3.11Å; H60-H62 VanDerWaalsContact C-N 3.26Å; H60-H62 PolarHBondContact O-N 3.38Å; H60-C63 WeakPolarHBondContact O-CB 3.38Å; H60-C63 PolarHBondContact O-N 3.25Å; H60-Y64 PolarHBondContact O-N 3Å; H60-Y64 VanDerWaalsContact O-N 3.13Å; H60-C74 PolarHBondContact CD2-N 3.47Å; H60-C74 VanDerWaalsContact CD2-N 3.33Å; H60-C74 PolarHBondContact CD2-O 3.41Å; H60-C74 PolarHBondContact NE2-O 2.92Å
61R79.8Confident70.9Confident161 Ų16189.8 Ų89.861%0.60840%0.402SS*.Hα-helixtrans-55.5-38.7176-178.3178.1170.2-179.2-4.8112.6E59 C63 Y64 E65E59-R61 HydrophobicContact CB-CB 4.38Å; E59-R61 PolarHBondContact O-N 3.37Å; R61-C63 VanDerWaalsContact C-N 3.26Å; R61-C63 PolarHBondContact O-N 3.28Å; R61-Y64 WeakPolarHBondContact O-CB 3.33Å; R61-Y64 PolarHBondContact O-N 3.48Å; R61-E65 HydrophobicContact CG-CG 4.13Å; R61-E65 IonicContact CZ-OE1 3.16Å; R61-E65 IonicContact NE-OE1 2.7Å; R61-E65 PolarHBondContact NE-OE1 3.26Å; R61-E65 IonicContact NE-OE2 3.96Å; R61-E65 IonicContact NH2-OE1 2.77Å; R61-E65 PolarHBondContact NH2-OE1 3.38Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 3.38Å
62H80.4Confident72.2Confident66 Ų6678.4 Ų78.431%0.30636%0.36SS..Hα-helixtrans-63.5-33.9178.6-62.4178.2000112.2C57 L58 E59 H60 R66C57-H62 HydrophobicContact CB-CB 4.05Å; L58-H62 PolarHBondContact N-ND1 2.83Å; L58-H62 VanDerWaalsContact N-ND1 3.12Å; E59-H62 WeakPolarHBondContact O-CB 3.08Å; E59-H62 PolarHBondContact O-N 3.17Å; H60-H62 VanDerWaalsContact C-N 3.26Å; H60-H62 PolarHBondContact O-N 3.38Å; H62-R66 WeakPolarHBondContact O-CB 3.42Å; H62-R66 PolarHBondContact O-N 2.83Å
63C81.3Confident74Confident0 Ų077 Ų770%035%0.354CS..Hα-helixtrans-72-41.1175.6-60.40000111.3C57 H60 R61 Y67 M72 C74 C84C57-C63 VanDerWaalsContact CB-SG 3.58Å; C57-C63 VanDerWaalsContact SG-SG 3.66Å; H60-C63 WeakPolarHBondContact O-CB 3.38Å; H60-C63 PolarHBondContact O-N 3.25Å; R61-C63 VanDerWaalsContact C-N 3.26Å; R61-C63 PolarHBondContact O-N 3.28Å; C63-Y67 WeakPolarHBondContact O-CB 3.36Å; C63-Y67 WeakPolarHBondContact O-CD2 3.5Å; C63-Y67 PolarHBondContact O-N 2.62Å; C63-M72 HydrophobicContact CB-CB 4.32Å; C63-C74 VanDerWaalsContact SG-CA 3.52Å; C63-C74 PolarHBondContact SG-N 2.89Å; C63-C74 VanDerWaalsContact SG-N 3.39Å; C63-C84 WeakPolarHBondContact CA-SG 3.38Å; C63-C84 HydrophobicContact CB-CB 3.73Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CA 3.38Å; C63-C84 WeakPolarHBondContact SG-CB 3.35Å; C63-C84 CovalentContact SG-SG 2.03Å; C63-C84 PolarHBondContact SG-SG 3Å
64Y81.3Confident75.5Confident92 Ų9267.6 Ų67.636%0.36132%0.315SS..Hα-helixtrans-61.3-49.8173.2172.8-104.4000111.8H60 R61 R66 Y67 L68 H70H60-Y64 PolarHBondContact O-N 3Å; H60-Y64 VanDerWaalsContact O-N 3.13Å; R61-Y64 WeakPolarHBondContact O-CB 3.33Å; R61-Y64 PolarHBondContact O-N 3.48Å; Y64-R66 VanDerWaalsContact C-N 3.31Å; Y64-R66 PolarHBondContact O-N 3.35Å; Y64-Y67 PolarHBondContact O-N 2.69Å; Y64-L68 WeakPolarHBondContact O-CA 3.09Å; Y64-L68 PolarHBondContact O-N 3.43Å; Y64-H70 AromaticContact CD2-CE1 3.64Å; Y64-H70 AromaticContact CD2-ND1 3.53Å; Y64-H70 AromaticContact CE2-CE1 3.05Å; Y64-H70 WeakPolarHBondContact CE2-CE1 3.01Å; Y64-H70 AromaticContact CE2-ND1 3.43Å; Y64-H70 WeakPolarHBondContact CE2-ND1 3.43Å; Y64-H70 AromaticContact CE2-NE2 3.47Å; Y64-H70 WeakPolarHBondContact CE2-NE2 3.38Å; Y64-H70 AromaticContact CZ-CE1 3.52Å; Y64-H70 AromaticContact CZ-NE2 3.99Å
65E81.8Confident77.1Confident92 Ų9267.3 Ų67.343%0.4330%0.304SS..Hα-helixtrans-64.1-36.1-179.1-72.3176.4157.700112.4R61R61-E65 HydrophobicContact CG-CG 4.13Å; R61-E65 IonicContact CZ-OE1 3.16Å; R61-E65 IonicContact NE-OE1 2.7Å; R61-E65 PolarHBondContact NE-OE1 3.26Å; R61-E65 IonicContact NE-OE2 3.96Å; R61-E65 IonicContact NH2-OE1 2.77Å; R61-E65 PolarHBondContact NH2-OE1 3.38Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 3.38Å
66R79.8Confident78.1Confident140 Ų14066.2 Ų66.253%0.52830%0.301SS..Hα-helixtrans-73.2-41.1178.9-179.5173.8-72.8151.63.6113S56 H62 Y64S56-R66 PolarHBondContact O-NH1 3.38Å; S56-R66 PolarHBondContact O-NH2 2.92Å; H62-R66 WeakPolarHBondContact O-CB 3.42Å; H62-R66 PolarHBondContact O-N 2.83Å; Y64-R66 VanDerWaalsContact C-N 3.31Å; Y64-R66 PolarHBondContact O-N 3.35Å
67Y80.7Confident78.2Confident112 Ų11265.9 Ų65.944%0.43930%0.298SS..Hα-helixtrans-110-6.7-170.6-62.6-74.1000114.1C63 Y64 R69 M72 C84C63-Y67 WeakPolarHBondContact O-CB 3.36Å; C63-Y67 WeakPolarHBondContact O-CD2 3.5Å; C63-Y67 PolarHBondContact O-N 2.62Å; Y64-Y67 PolarHBondContact O-N 2.69Å; Y67-R69 WeakPolarHBondContact O-CG 3.41Å; Y67-R69 PolarHBondContact O-N 2.86Å; Y67-M72 VanDerWaalsContact CB-SD 3.51Å; Y67-M72 HydrophobicContact CD1-CE 4.42Å; Y67-M72 HydrophobicContact CD1-SD 4.28Å; Y67-M72 HydrophobicContact CD2-CE 3.59Å; Y67-M72 HydrophobicContact CD2-SD 3.7Å; Y67-M72 HydrophobicContact CE2-CE 3.83Å; Y67-M72 HydrophobicContact CG-CE 3.93Å; Y67-M72 HydrophobicContact CG-SD 3.57Å; Y67-M72 VanDerWaalsContact CG-SD 3.57Å; Y67-C84 HydrophobicContact CD2-CB 4.2Å; Y67-C84 HydrophobicContact CE2-CB 3.65Å
68L81.4Confident77.8Confident135 Ų13571.7 Ų71.771%0.70732%0.32SS*.  trans53.339.3-174.5-59.9174.8000113.2Y64Y64-L68 WeakPolarHBondContact O-CA 3.09Å; Y64-L68 PolarHBondContact O-N 3.43Å
69R76.4Confident77.2Confident40 Ų4066.9 Ų66.915%0.15130%0.295CS..  trans-132.6126.8-171.8-78.3-18065.4139.518.3112.7Y67 D71 M72 F86Y67-R69 WeakPolarHBondContact O-CG 3.41Å; Y67-R69 PolarHBondContact O-N 2.86Å; R69-D71 VanDerWaalsContact C-N 3.34Å; R69-D71 IonicContact CZ-OD1 3.3Å; R69-D71 VanDerWaalsContact CZ-OD1 3.3Å; R69-D71 IonicContact CZ-OD2 3.71Å; R69-D71 IonicContact NE-OD1 2.83Å; R69-D71 PolarHBondContact NE-OD1 3.42Å; R69-D71 IonicContact NH2-OD1 2.92Å; R69-D71 PolarHBondContact NH2-OD1 3.41Å; R69-D71 IonicContact NH2-OD2 2.62Å; R69-D71 PolarHBondContact NH2-OD2 3.33Å; R69-M72 HydrophobicContact CB-CG 4.04Å; R69-M72 HydrophobicContact CB-SD 4.15Å; R69-F86 VanDerWaalsContact NH1-CE1 3.26Å
70H80.7Confident76.6Confident119 Ų11964.6 Ų64.655%0.55129%0.287SS*.THydrogen-bonded Turntrans-81-13.5178.9-66.3-61.7000114Y64 M72Y64-H70 AromaticContact CD2-CE1 3.64Å; Y64-H70 AromaticContact CD2-ND1 3.53Å; Y64-H70 AromaticContact CE2-CE1 3.05Å; Y64-H70 WeakPolarHBondContact CE2-CE1 3.01Å; Y64-H70 AromaticContact CE2-ND1 3.43Å; Y64-H70 WeakPolarHBondContact CE2-ND1 3.43Å; Y64-H70 AromaticContact CE2-NE2 3.47Å; Y64-H70 WeakPolarHBondContact CE2-NE2 3.38Å; Y64-H70 AromaticContact CZ-CE1 3.52Å; Y64-H70 AromaticContact CZ-NE2 3.99Å; H70-M72 VanDerWaalsContact C-N 3.33Å
71D79.5Confident76Confident18 Ų1863.9 Ų63.910%0.09629%0.285CS..THydrogen-bonded Turntrans-94.913178.470.8-28.3000113.3R69 F86 I87R69-D71 VanDerWaalsContact C-N 3.34Å; R69-D71 IonicContact CZ-OD1 3.3Å; R69-D71 VanDerWaalsContact CZ-OD1 3.3Å; R69-D71 IonicContact CZ-OD2 3.71Å; R69-D71 IonicContact NE-OD1 2.83Å; R69-D71 PolarHBondContact NE-OD1 3.42Å; R69-D71 IonicContact NH2-OD1 2.92Å; R69-D71 PolarHBondContact NH2-OD1 3.41Å; R69-D71 IonicContact NH2-OD2 2.62Å; R69-D71 PolarHBondContact NH2-OD2 3.33Å; D71-F86 CarbonylContact O-C 3.54Å; D71-F86 WeakPolarHBondContact O-CA 3.28Å; D71-I87 WeakPolarHBondContact O-CG1 3.24Å; D71-I87 PolarHBondContact O-N 2.91Å
72M79Confident75.9Confident16 Ų1656.5 Ų56.58%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-111.3138.7172.7-64.6-173.577.400111C63 Y67 R69 H70 C84 I85 F86C63-M72 HydrophobicContact CB-CB 4.32Å; Y67-M72 VanDerWaalsContact CB-SD 3.51Å; Y67-M72 HydrophobicContact CD1-CE 4.42Å; Y67-M72 HydrophobicContact CD1-SD 4.28Å; Y67-M72 HydrophobicContact CD2-CE 3.59Å; Y67-M72 HydrophobicContact CD2-SD 3.7Å; Y67-M72 HydrophobicContact CE2-CE 3.83Å; Y67-M72 HydrophobicContact CG-CE 3.93Å; Y67-M72 HydrophobicContact CG-SD 3.57Å; Y67-M72 VanDerWaalsContact CG-SD 3.57Å; R69-M72 HydrophobicContact CB-CG 4.04Å; R69-M72 HydrophobicContact CB-SD 4.15Å; H70-M72 VanDerWaalsContact C-N 3.33Å; M72-C84 HydrophobicContact CE-CB 3.92Å; M72-I85 CarbonylContact C-O 3.47Å; M72-I85 VanDerWaalsContact CA-O 3.27Å; M72-I85 WeakPolarHBondContact CA-O 3.27Å; M72-F86 HydrophobicContact CG-CD1 4.4Å
73V80.3Confident75.9Confident22 Ų2255.8 Ų55.813%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-130.7147.8178.6-68.20000110.5F75 C84 I85 I87 L90V73-F75 PolarHBondContact O-N 3.47Å; V73-C84 WeakPolarHBondContact O-CA 3.36Å; V73-I85 HydrophobicContact CG2-CG1 4.06Å; V73-I85 PolarHBondContact N-O 2.83Å; V73-I85 PolarHBondContact O-N 3.39Å; V73-I87 HydrophobicContact CG1-CD1 4.01Å; V73-I87 HydrophobicContact CG1-CG1 3.69Å; V73-I87 HydrophobicContact CG2-CG1 4.15Å; V73-L90 HydrophobicContact CG2-CD1 3.9Å
74C78.4Confident75.7Confident18 Ų1856.4 Ų56.412%0.12227%0.265CS..EExtended strand (participates in β ladder)trans-72.6119.2168.6-1700000109.6C57 E59 H60 C63C57-C74 HydrophobicContact CB-CB 3.7Å; C57-C74 WeakPolarHBondContact CB-SG 3.31Å; C57-C74 PolarHBondContact O-SG 3.33Å; C57-C74 WeakPolarHBondContact SG-CA 3.4Å; C57-C74 WeakPolarHBondContact SG-CB 3.43Å; C57-C74 CovalentContact SG-SG 2.03Å; C57-C74 PolarHBondContact SG-SG 3.14Å; E59-C74 WeakPolarHBondContact O-CB 3.46Å; H60-C74 PolarHBondContact CD2-N 3.47Å; H60-C74 VanDerWaalsContact CD2-N 3.33Å; H60-C74 PolarHBondContact CD2-O 3.41Å; H60-C74 PolarHBondContact NE2-O 2.92Å; C63-C74 VanDerWaalsContact SG-CA 3.52Å; C63-C74 PolarHBondContact SG-N 2.89Å; C63-C74 VanDerWaalsContact SG-N 3.39Å
75F78.8Confident75.5Confident29 Ų2952.5 Ų52.513%0.12725%0.25CS..EExtended strand (participates in β ladder)trans-114.8125.7179.6-178.1-92.7000110.6V73 V77 S82 S83 I85 L90 F96V73-F75 PolarHBondContact O-N 3.47Å; F75-V77 HydrophobicContact CD1-CG2 3.82Å; F75-V77 HydrophobicContact CE1-CG2 4.18Å; F75-V77 PolarHBondContact O-N 2.81Å; F75-S82 CarbonylContact O-C 3.54Å; F75-S82 WeakPolarHBondContact O-CA 3Å; F75-S83 PolarHBondContact N-O 2.86Å; F75-S83 PolarHBondContact O-N 3.02Å; F75-I85 HydrophobicContact CB-CD1 3.41Å; F75-I85 VanDerWaalsContact CB-CD1 3.41Å; F75-I85 HydrophobicContact CB-CG1 3.59Å; F75-I85 HydrophobicContact CB-CG2 4.26Å; F75-I85 HydrophobicContact CD1-CD1 4.21Å; F75-I85 HydrophobicContact CD2-CD1 3.8Å; F75-I85 HydrophobicContact CG-CD1 3.53Å; F75-I85 HydrophobicContact CG-CG1 4.28Å; F75-L90 HydrophobicContact CD2-CD2 3.7Å; F75-L90 HydrophobicContact CE2-CD2 3.71Å; F75-F96 HydrophobicContact CD1-CE1 4.03Å; F75-F96 AromaticContact CD1-CZ 3.53Å; F75-F96 HydrophobicContact CD1-CZ 3.53Å; F75-F96 AromaticContact CE1-CE1 3.28Å; F75-F96 HydrophobicContact CE1-CE1 3.28Å; F75-F96 AromaticContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE2-CE1 4.18Å; F75-F96 HydrophobicContact CE2-CZ 4.47Å; F75-F96 HydrophobicContact CG-CZ 4.26Å; F75-F96 HydrophobicContact CZ-CD1 4.4Å; F75-F96 AromaticContact CZ-CE1 3.37Å; F75-F96 HydrophobicContact CZ-CE1 3.37Å; F75-F96 AromaticContact CZ-CZ 3.78Å; F75-F96 HydrophobicContact CZ-CZ 3.78Å
76E72.6Confident75.4Confident43 Ų4349.3 Ų49.320%0.20124%0.235CC..EExtended strand (participates in β ladder)trans-79.3107.1173.3-172.4176.7-154.900109.7K39 Y78 P79K39-E76 VanDerWaalsContact CA-OE2 3.25Å; K39-E76 WeakPolarHBondContact CA-OE2 3.36Å; K39-E76 VanDerWaalsContact CB-OE2 3.28Å; K39-E76 WeakPolarHBondContact CB-OE2 3.37Å; K39-E76 WeakPolarHBondContact CD-OE1 3.25Å; K39-E76 VanDerWaalsContact CG-OE2 3.31Å; K39-E76 WeakPolarHBondContact CG-OE2 3.01Å; E76-Y78 WeakPolarHBondContact CG-O 3.44Å; E76-P79 WeakPolarHBondContact OE1-CA 2.98Å
77V68.3Low75.1Confident29 Ų2945.4 Ų45.418%0.17622%0.224CC..EExtended strand (participates in β ladder)trans-78.8-38.4177.3-178.20000110.6F75 L81 I100F75-V77 HydrophobicContact CD1-CG2 3.82Å; F75-V77 HydrophobicContact CE1-CG2 4.18Å; F75-V77 PolarHBondContact O-N 2.81Å; V77-L81 HydrophobicContact CB-CB 4.45Å; V77-L81 HydrophobicContact CB-CD2 4.08Å; V77-L81 HydrophobicContact CB-CG 4.18Å; V77-L81 HydrophobicContact CG1-CD2 4.09Å; V77-L81 PolarHBondContact N-O 3.32Å; V77-I100 HydrophobicContact CG1-CD1 3.87Å; V77-I100 HydrophobicContact CG1-CG1 4.44Å; V77-I100 HydrophobicContact CG1-CG2 3.8Å; V77-I100 HydrophobicContact CG2-CD1 4.07Å
78Y64.2Low74.8Confident124 Ų12441.1 Ų41.149%0.48621%0.212SC..EExtended strand (participates in β ladder)trans-149.9160.4179.3-160.6-112.9000107.8W41 E76 C80 L81W41-Y78 HydrophobicContact CH2-CD2 4.46Å; W41-Y78 HydrophobicContact CH2-CE2 4.29Å; W41-Y78 HydrophobicContact CZ2-CD2 4.3Å; E76-Y78 WeakPolarHBondContact CG-O 3.44Å; Y78-C80 HydrophobicContact CD1-CB 4.07Å; Y78-C80 PolarHBondContact O-N 3.29Å; Y78-L81 PolarHBondContact N-O 3.13Å; Y78-L81 VanDerWaalsContact N-O 3.08Å; Y78-L81 CarbonylContact O-C 3.41Å; Y78-L81 PolarHBondContact O-N 3.17Å
79P59.1Low74.2Confident2 Ų237 Ų371%0.01319%0.189CC..THydrogen-bonded Turntrans-51.1-30-179.6-10.99.8000113.3W41 E45 I46 Y55 E76W41-P79 HydrophobicContact CB-CB 3.86Å; W41-P79 HydrophobicContact CB-CG 3.74Å; W41-P79 HydrophobicContact CD2-CB 4.46Å; W41-P79 HydrophobicContact CD2-CG 3.52Å; W41-P79 VanDerWaalsContact CE2-CD 3.45Å; W41-P79 HydrophobicContact CE3-CG 3.98Å; W41-P79 HydrophobicContact CG-CB 3.83Å; W41-P79 HydrophobicContact CG-CG 3.39Å; E45-P79 HydrophobicContact CB-CB 4.35Å; E45-P79 HydrophobicContact CB-CG 4.03Å; I46-P79 HydrophobicContact CG1-CB 4.19Å; Y55-P79 PolarHBondContact OH-O 3.19Å; E76-P79 WeakPolarHBondContact OE1-CA 2.98Å
80C63.9Low73.8Confident30 Ų3037.9 Ų37.920%0.20320%0.197CC..THydrogen-bonded Turntrans-99.7-2.4-175.9-59.10000114.2C49 I52 Y78C49-C80 VanDerWaalsContact CA-SG 3.51Å; C49-C80 HydrophobicContact CB-CB 4.23Å; C49-C80 WeakPolarHBondContact CB-SG 3.37Å; C49-C80 WeakPolarHBondContact SG-CA 3.47Å; C49-C80 WeakPolarHBondContact SG-CB 3.41Å; C49-C80 CovalentContact SG-SG 2.05Å; C49-C80 PolarHBondContact SG-SG 3.34Å; I52-C80 HydrophobicContact CD1-CB 3.09Å; I52-C80 WeakPolarHBondContact CD1-O 3.44Å; I52-C80 VanDerWaalsContact CD1-SG 3.58Å; I52-C80 HydrophobicContact CG1-CB 4.46Å; Y78-C80 HydrophobicContact CD1-CB 4.07Å; Y78-C80 PolarHBondContact O-N 3.29Å
81L69.1Low73.3Confident53 Ų5338.3 Ų38.328%0.27719%0.194SC..EExtended strand (participates in β ladder)trans-140.9123.2-172.4-176.165.7000111.4V77 Y78 M104V77-L81 HydrophobicContact CB-CB 4.45Å; V77-L81 HydrophobicContact CB-CD2 4.08Å; V77-L81 HydrophobicContact CB-CG 4.18Å; V77-L81 HydrophobicContact CG1-CD2 4.09Å; V77-L81 PolarHBondContact N-O 3.32Å; Y78-L81 PolarHBondContact N-O 3.13Å; Y78-L81 VanDerWaalsContact N-O 3.08Å; Y78-L81 CarbonylContact O-C 3.41Å; Y78-L81 PolarHBondContact O-N 3.17Å; L81-M104 HydrophobicContact CD2-CE 3.75Å; L81-M104 HydrophobicContact CD2-SD 3.55Å; L81-M104 VanDerWaalsContact CD2-SD 3.55Å
82S76.3Confident73.1Confident7 Ų741 Ų415%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-127140.6174.163.80000110.8Y55 S56 C57 F75Y55-S82 WeakPolarHBondContact CA-OG 3.39Å; Y55-S82 WeakPolarHBondContact CD1-OG 3.5Å; S56-S82 WeakPolarHBondContact CB-O 3.41Å; S56-S82 PolarHBondContact N-O 3.05Å; S56-S82 PolarHBondContact OG-O 2.85Å; C57-S82 PolarHBondContact N-OG 3.18Å; C57-S82 WeakPolarHBondContact O-CB 3.28Å; C57-S82 PolarHBondContact O-OG 2.92Å; F75-S82 CarbonylContact O-C 3.54Å; F75-S82 WeakPolarHBondContact O-CA 3Å
83S80.5Confident72.5Confident50 Ų5047.9 Ų47.935%0.3524%0.235SC..EExtended strand (participates in β ladder)trans-125.9143.9175.7-160.90000112S56 F75 I85S56-S83 WeakPolarHBondContact OG-CA 3.38Å; F75-S83 PolarHBondContact N-O 2.86Å; F75-S83 PolarHBondContact O-N 3.02Å; S83-I85 PolarHBondContact O-N 2.03Å
84C78.4Confident72.2Confident14 Ų1453.6 Ų53.610%0.09526%0.26CS..EExtended strand (participates in β ladder)trans-74.8117.3163.4-64.70000109.2S56 C63 Y67 M72 V73S56-C84 PolarHBondContact OG-N 3.12Å; C63-C84 WeakPolarHBondContact CA-SG 3.38Å; C63-C84 HydrophobicContact CB-CB 3.73Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CA 3.38Å; C63-C84 WeakPolarHBondContact SG-CB 3.35Å; C63-C84 CovalentContact SG-SG 2.03Å; C63-C84 PolarHBondContact SG-SG 3Å; Y67-C84 HydrophobicContact CD2-CB 4.2Å; Y67-C84 HydrophobicContact CE2-CB 3.65Å; M72-C84 HydrophobicContact CE-CB 3.92Å; V73-C84 WeakPolarHBondContact O-CA 3.36Å
85I77Confident71.9Confident9 Ų957.4 Ų57.45%0.04627%0.274CS..EExtended strand (participates in β ladder)trans-122.3160.4179.268.3171.5000110.3M72 V73 F75 S83 L90 F96M72-I85 CarbonylContact C-O 3.47Å; M72-I85 VanDerWaalsContact CA-O 3.27Å; M72-I85 WeakPolarHBondContact CA-O 3.27Å; V73-I85 HydrophobicContact CG2-CG1 4.06Å; V73-I85 PolarHBondContact N-O 2.83Å; V73-I85 PolarHBondContact O-N 3.39Å; F75-I85 HydrophobicContact CB-CD1 3.41Å; F75-I85 VanDerWaalsContact CB-CD1 3.41Å; F75-I85 HydrophobicContact CB-CG1 3.59Å; F75-I85 HydrophobicContact CB-CG2 4.26Å; F75-I85 HydrophobicContact CD1-CD1 4.21Å; F75-I85 HydrophobicContact CD2-CD1 3.8Å; F75-I85 HydrophobicContact CG-CD1 3.53Å; F75-I85 HydrophobicContact CG-CG1 4.28Å; S83-I85 PolarHBondContact O-N 2.03Å; I85-L90 HydrophobicContact CD1-CD1 4.38Å; I85-L90 HydrophobicContact CD1-CD2 3.57Å; I85-L90 HydrophobicContact CD1-CG 3.79Å; I85-F96 HydrophobicContact CD1-CE2 3.96Å; I85-F96 HydrophobicContact CD1-CZ 4.18Å; I85-F96 HydrophobicContact CG2-CE2 4.39Å
86F79.2Confident71.5Confident26 Ų2656.5 Ų56.511%0.11427%0.271CS..EExtended strand (participates in β ladder)trans-75141.3172.2-64.2-106.8000110.1R69 D71 M72 A88 Q89 V120R69-F86 VanDerWaalsContact NH1-CE1 3.26Å; D71-F86 CarbonylContact O-C 3.54Å; D71-F86 WeakPolarHBondContact O-CA 3.28Å; M72-F86 HydrophobicContact CG-CD1 4.4Å; F86-A88 HydrophobicContact CB-CB 4.38Å; F86-A88 PolarHBondContact O-N 2.95Å; F86-Q89 HydrophobicContact CB-CG 4.28Å; F86-Q89 WeakPolarHBondContact O-CB 3.38Å; F86-Q89 PolarHBondContact O-N 2.03Å; F86-V120 HydrophobicContact CB-CG1 4.09Å; F86-V120 HydrophobicContact CD1-CB 4.34Å; F86-V120 HydrophobicContact CD1-CG1 3.3Å; F86-V120 HydrophobicContact CD2-CB 4.48Å; F86-V120 HydrophobicContact CD2-CG1 3.72Å; F86-V120 HydrophobicContact CD2-CG2 4.41Å; F86-V120 HydrophobicContact CE1-CB 3.88Å; F86-V120 HydrophobicContact CE1-CG1 3.31Å; F86-V120 HydrophobicContact CE2-CB 4.15Å; F86-V120 HydrophobicContact CE2-CG1 3.85Å; F86-V120 HydrophobicContact CE2-CG2 4.09Å; F86-V120 HydrophobicContact CG-CG1 3.46Å; F86-V120 VanDerWaalsContact CG-CG1 3.46Å; F86-V120 HydrophobicContact CZ-CB 3.84Å; F86-V120 HydrophobicContact CZ-CG1 3.66Å; F86-V120 HydrophobicContact CZ-CG2 4.23Å
87I74.1Confident71.5Confident57 Ų5756.4 Ų56.429%0.29228%0.277SS..Hα-helixtrans-56.1-35.2173.5-61.4173000110.2D71 V73 Q89 L90 Y91D71-I87 WeakPolarHBondContact O-CG1 3.24Å; D71-I87 PolarHBondContact O-N 2.91Å; V73-I87 HydrophobicContact CG1-CD1 4.01Å; V73-I87 HydrophobicContact CG1-CG1 3.69Å; V73-I87 HydrophobicContact CG2-CG1 4.15Å; I87-Q89 PolarHBondContact O-N 3.41Å; I87-Q89 VanDerWaalsContact O-N 3.14Å; I87-L90 WeakPolarHBondContact O-CB 3.34Å; I87-L90 PolarHBondContact O-N 3.38Å; I87-Y91 HydrophobicContact CG2-CD2 4.49Å; I87-Y91 HydrophobicContact CG2-CE2 3.73Å; I87-Y91 WeakPolarHBondContact O-CD2 3.2Å
88A73.3Confident71.7Confident22 Ų2259.7 Ų59.718%0.18229%0.291CS..Hα-helixtrans-52.2-34.6174.600000113.5F86 L90 Y91 T124 L127F86-A88 HydrophobicContact CB-CB 4.38Å; F86-A88 PolarHBondContact O-N 2.95Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.43Å; A88-Y91 PolarHBondContact O-N 2.65Å; A88-T124 HydrophobicContact CB-CG2 4.28Å; A88-T124 WeakPolarHBondContact CB-OG1 3.44Å; A88-L127 HydrophobicContact CB-CD2 4.38Å
89Q70.2Confident72Confident50 Ų5055.9 Ų55.923%0.23428%0.277CS..Hα-helixtrans-71.8-21.7178.8-64.6176.5-83.500112.7F86 I87 F96F86-Q89 HydrophobicContact CB-CG 4.28Å; F86-Q89 WeakPolarHBondContact O-CB 3.38Å; F86-Q89 PolarHBondContact O-N 2.03Å; I87-Q89 PolarHBondContact O-N 3.41Å; I87-Q89 VanDerWaalsContact O-N 3.14Å; Q89-F96 HydrophobicContact CB-CD2 4.28Å; Q89-F96 WeakPolarHBondContact O-CB 3.46Å
90L67.8Low72.4Confident58 Ų5857.6 Ų57.630%0.30429%0.286SS..Hα-helixtrans-78.9-21.4178.7-67.6176.5000113.5V73 F75 I85 I87 A88 D92V73-L90 HydrophobicContact CG2-CD1 3.9Å; F75-L90 HydrophobicContact CD2-CD2 3.7Å; F75-L90 HydrophobicContact CE2-CD2 3.71Å; I85-L90 HydrophobicContact CD1-CD1 4.38Å; I85-L90 HydrophobicContact CD1-CD2 3.57Å; I85-L90 HydrophobicContact CD1-CG 3.79Å; I87-L90 WeakPolarHBondContact O-CB 3.34Å; I87-L90 PolarHBondContact O-N 3.38Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.43Å; L90-D92 VanDerWaalsContact C-N 3.3Å
91Y69.5Low72.7Confident128 Ų12860.1 Ų60.150%0.50230%0.295SS..SBendtrans-73.2-24.3179.5-71.2-73.3000112.9I87 A88 L127I87-Y91 HydrophobicContact CG2-CD2 4.49Å; I87-Y91 HydrophobicContact CG2-CE2 3.73Å; I87-Y91 WeakPolarHBondContact O-CD2 3.2Å; A88-Y91 PolarHBondContact O-N 2.65Å; Y91-L127 HydrophobicContact CD2-CD2 3.75Å; Y91-L127 HydrophobicContact CG-CD2 4.14Å
92D74.7Confident72.6Confident75 Ų7564 Ų6440%0.40131%0.306SS..  trans-113.476.4175.3-172.2-13.2000109.3L90 E94 K95 F96L90-D92 VanDerWaalsContact C-N 3.3Å; D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 3.38Å; D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 PolarHBondContact O-N 3.43Å; D92-K95 WeakPolarHBondContact OD1-CB 3.39Å; D92-K95 PolarHBondContact OD1-N 2.77Å; D92-K95 VanDerWaalsContact OD1-N 3.08Å; D92-K95 VanDerWaalsContact OD2-CB 3.24Å; D92-K95 WeakPolarHBondContact OD2-CB 3.41Å; D92-K95 VanDerWaalsContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CD 3.19Å; D92-F96 WeakPolarHBondContact O-CB 3.4Å; D92-F96 PolarHBondContact O-N 3.35Å
93Y67.7Low72Confident160 Ų16067.5 Ų67.563%0.62732%0.323SS*.Hα-helixtrans-61.8-35.7-175.1-178.4-97.2000112.6F96 A97Y93-F96 PolarHBondContact O-N 3.43Å; Y93-A97 WeakPolarHBondContact O-CB 3.2Å; Y93-A97 PolarHBondContact O-N 3.08Å
94E73.2Confident71.1Confident142 Ų14270 Ų7066%0.66433%0.331SS*.Hα-helixtrans-63.9-49.5178.7-174.2-179.517500110.6D92 F96 A97 Q98D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 3.38Å; E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.36Å; E94-A97 PolarHBondContact O-N 2.81Å; E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 2.86Å
95K72.1Confident70.6Confident97 Ų9775.5 Ų75.542%0.42236%0.358SS..Hα-helixtrans-61.7-42.1175.1-172.2175.4-176.1175.40111.4D92 A97 Q98 Q99D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 PolarHBondContact O-N 3.43Å; D92-K95 WeakPolarHBondContact OD1-CB 3.39Å; D92-K95 PolarHBondContact OD1-N 2.77Å; D92-K95 VanDerWaalsContact OD1-N 3.08Å; D92-K95 VanDerWaalsContact OD2-CB 3.24Å; D92-K95 WeakPolarHBondContact OD2-CB 3.41Å; D92-K95 VanDerWaalsContact OD2-CD 3.28Å; D92-K95 WeakPolarHBondContact OD2-CD 3.19Å; K95-A97 VanDerWaalsContact C-N 3.35Å; K95-A97 PolarHBondContact O-N 3.34Å; K95-Q98 PolarHBondContact O-N 2.81Å; K95-Q99 WeakPolarHBondContact O-CB 3.35Å; K95-Q99 WeakPolarHBondContact O-CG 3.45Å; K95-Q99 PolarHBondContact O-N 2.9Å
96F71.4Confident70.2Confident10 Ų1080.7 Ų80.74%0.04438%0.38CS..Hα-helixtrans-60.1-43.1175.7179.1-104.2000112.3F75 I85 Q89 D92 Y93 E94 Q98 Q99 I100F75-F96 HydrophobicContact CD1-CE1 4.03Å; F75-F96 AromaticContact CD1-CZ 3.53Å; F75-F96 HydrophobicContact CD1-CZ 3.53Å; F75-F96 AromaticContact CE1-CE1 3.28Å; F75-F96 HydrophobicContact CE1-CE1 3.28Å; F75-F96 AromaticContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE1-CZ 3.26Å; F75-F96 HydrophobicContact CE2-CE1 4.18Å; F75-F96 HydrophobicContact CE2-CZ 4.47Å; F75-F96 HydrophobicContact CG-CZ 4.26Å; F75-F96 HydrophobicContact CZ-CD1 4.4Å; F75-F96 AromaticContact CZ-CE1 3.37Å; F75-F96 HydrophobicContact CZ-CE1 3.37Å; F75-F96 AromaticContact CZ-CZ 3.78Å; F75-F96 HydrophobicContact CZ-CZ 3.78Å; I85-F96 HydrophobicContact CD1-CE2 3.96Å; I85-F96 HydrophobicContact CD1-CZ 4.18Å; I85-F96 HydrophobicContact CG2-CE2 4.39Å; Q89-F96 HydrophobicContact CB-CD2 4.28Å; Q89-F96 WeakPolarHBondContact O-CB 3.46Å; D92-F96 WeakPolarHBondContact O-CB 3.4Å; D92-F96 PolarHBondContact O-N 3.35Å; Y93-F96 PolarHBondContact O-N 3.43Å; E94-F96 VanDerWaalsContact C-N 3.31Å; E94-F96 PolarHBondContact O-N 3.36Å; F96-Q98 PolarHBondContact O-N 2.88Å; F96-Q99 WeakPolarHBondContact O-CB 3.44Å; F96-Q99 PolarHBondContact O-N 3.08Å; F96-I100 HydrophobicContact CD1-CG1 4.2Å; F96-I100 HydrophobicContact CD2-CG1 4.39Å; F96-I100 HydrophobicContact CE1-CD1 4.29Å; F96-I100 HydrophobicContact CE1-CG1 3.65Å; F96-I100 HydrophobicContact CE2-CD1 3.88Å; F96-I100 HydrophobicContact CE2-CG1 3.89Å; F96-I100 HydrophobicContact CZ-CD1 3.62Å; F96-I100 HydrophobicContact CZ-CG1 3.49Å; F96-I100 VanDerWaalsContact CZ-CG1 3.49Å; F96-I100 WeakPolarHBondContact O-CG1 3.46Å; F96-I100 PolarHBondContact O-N 2.78Å
97A70.7Confident69.3Low41 Ų4182.4 Ų82.434%0.33941%0.405SS..Hα-helixtrans-61.5-44.6176.500000111.5Y93 E94 K95 Q99 I100 E101Y93-A97 WeakPolarHBondContact O-CB 3.2Å; Y93-A97 PolarHBondContact O-N 3.08Å; E94-A97 PolarHBondContact O-N 2.81Å; K95-A97 VanDerWaalsContact C-N 3.35Å; K95-A97 PolarHBondContact O-N 3.34Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 3.02Å; A97-I100 PolarHBondContact O-N 2.87Å; A97-E101 WeakPolarHBondContact O-CB 3.44Å; A97-E101 PolarHBondContact O-N 2.05Å
98Q73.5Confident68.9Low99 Ų9982.8 Ų82.846%0.46341%0.407SS..Hα-helixtrans-61.4-38.6174.3-67.8174.18.500112.1E94 K95 F96 E101 R102E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 2.86Å; K95-Q98 PolarHBondContact O-N 2.81Å; F96-Q98 PolarHBondContact O-N 2.88Å; Q98-E101 PolarHBondContact O-N 3.42Å; Q98-R102 WeakPolarHBondContact O-CB 3.1Å; Q98-R102 VanDerWaalsContact O-CG 3.27Å; Q98-R102 WeakPolarHBondContact O-CG 3.19Å; Q98-R102 PolarHBondContact O-N 3.48Å
99Q69.5Low68.2Low43 Ų4385.6 Ų85.620%0.20142%0.423CS..Hα-helixtrans-64-46.2176-76.9-171.3-17.700111.6K95 F96 A97 R102 L103 V110K95-Q99 WeakPolarHBondContact O-CB 3.35Å; K95-Q99 WeakPolarHBondContact O-CG 3.45Å; K95-Q99 PolarHBondContact O-N 2.9Å; F96-Q99 WeakPolarHBondContact O-CB 3.44Å; F96-Q99 PolarHBondContact O-N 3.08Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 3.02Å; Q99-R102 PolarHBondContact O-N 2.82Å; Q99-L103 PolarHBondContact O-N 3.23Å; Q99-V110 HydrophobicContact CB-CB 4.47Å; Q99-V110 HydrophobicContact CB-CG1 3.36Å; Q99-V110 HydrophobicContact CB-CG2 4.26Å; Q99-V110 HydrophobicContact CG-CG1 3.25Å; Q99-V110 VanDerWaalsContact O-CG2 3.24Å; Q99-V110 WeakPolarHBondContact O-CG2 3.48Å
100I68Low67.5Low39 Ų3985.2 Ų85.220%0.242%0.424CS..Hα-helixtrans-63-42.9175.3-67.6-57.3000111.1V77 F96 A97 R102 L103 M104V77-I100 HydrophobicContact CG1-CD1 3.87Å; V77-I100 HydrophobicContact CG1-CG1 4.44Å; V77-I100 HydrophobicContact CG1-CG2 3.8Å; V77-I100 HydrophobicContact CG2-CD1 4.07Å; F96-I100 HydrophobicContact CD1-CG1 4.2Å; F96-I100 HydrophobicContact CD2-CG1 4.39Å; F96-I100 HydrophobicContact CE1-CD1 4.29Å; F96-I100 HydrophobicContact CE1-CG1 3.65Å; F96-I100 HydrophobicContact CE2-CD1 3.88Å; F96-I100 HydrophobicContact CE2-CG1 3.89Å; F96-I100 HydrophobicContact CZ-CD1 3.62Å; F96-I100 HydrophobicContact CZ-CG1 3.49Å; F96-I100 VanDerWaalsContact CZ-CG1 3.49Å; F96-I100 WeakPolarHBondContact O-CG1 3.46Å; F96-I100 PolarHBondContact O-N 2.78Å; A97-I100 PolarHBondContact O-N 2.87Å; I100-R102 PolarHBondContact O-N 3.18Å; I100-L103 PolarHBondContact O-N 3.38Å; I100-M104 HydrophobicContact CG2-CG 3.93Å; I100-M104 VanDerWaalsContact O-CB 3.28Å; I100-M104 WeakPolarHBondContact O-CB 3.21Å; I100-M104 WeakPolarHBondContact O-CG 3.46Å; I100-M104 PolarHBondContact O-N 3.48Å
101E71.1Confident66.8Low82 Ų8285.3 Ų85.338%0.38343%0.425SS..Hα-helixtrans-59.5-47.1176.1-167.8-154.214000111.4A97 Q98 L103 M104 I105 K106A97-E101 WeakPolarHBondContact O-CB 3.44Å; A97-E101 PolarHBondContact O-N 2.05Å; Q98-E101 PolarHBondContact O-N 3.42Å; E101-L103 VanDerWaalsContact C-N 3.3Å; E101-L103 PolarHBondContact O-N 3.05Å; E101-M104 PolarHBondContact O-N 3.38Å; E101-I105 HydrophobicContact CG-CB 4.42Å; E101-I105 HydrophobicContact CG-CD1 3.62Å; E101-I105 HydrophobicContact CG-CG1 4.12Å; E101-I105 WeakPolarHBondContact O-CA 3.16Å; E101-I105 VanDerWaalsContact O-CB 3.26Å; E101-I105 WeakPolarHBondContact O-CB 3.19Å; E101-I105 PolarHBondContact O-N 3.12Å; E101-K106 PolarHBondContact O-N 3.04Å; E101-K106 WeakPolarHBondContact OE1-CE 3.34Å; E101-K106 IonicContact OE1-NZ 3.34Å; E101-K106 PolarHBondContact OE1-NZ 3.16Å
102R65.8Low66.2Low134 Ų13484.7 Ų84.751%0.50643%0.43SS..Hα-helixtrans-59.3-41.1177.1-77.4176.9124.6-170.7-0.1112.3Q98 Q99 I100 K106 G107 I108Q98-R102 WeakPolarHBondContact O-CB 3.1Å; Q98-R102 VanDerWaalsContact O-CG 3.27Å; Q98-R102 WeakPolarHBondContact O-CG 3.19Å; Q98-R102 PolarHBondContact O-N 3.48Å; Q99-R102 PolarHBondContact O-N 2.82Å; I100-R102 PolarHBondContact O-N 3.18Å; R102-K106 CarbonylContact O-C 3.54Å; R102-K106 WeakPolarHBondContact O-CA 3.46Å; R102-K106 VanDerWaalsContact O-CB 3.32Å; R102-K106 WeakPolarHBondContact O-CB 3.27Å; R102-K106 PolarHBondContact O-N 2.98Å; R102-G107 PolarHBondContact O-N 3.46Å; R102-G107 VanDerWaalsContact O-N 3.12Å; R102-I108 PolarHBondContact O-N 3.15Å
103L63.4Low65.4Low81 Ų8185.6 Ų85.642%0.42443%0.432SS..Hα-helixtrans-71.3-52.2178.6-173.160.9000112Q99 I100 E101 G107 I108 V110Q99-L103 PolarHBondContact O-N 3.23Å; I100-L103 PolarHBondContact O-N 3.38Å; E101-L103 VanDerWaalsContact C-N 3.3Å; E101-L103 PolarHBondContact O-N 3.05Å; L103-G107 VanDerWaalsContact O-CA 3.31Å; L103-G107 WeakPolarHBondContact O-CA 3.38Å; L103-G107 PolarHBondContact O-N 2.68Å; L103-I108 WeakPolarHBondContact CA-O 3.39Å; L103-V110 HydrophobicContact CB-CG2 3.69Å; L103-V110 HydrophobicContact CD1-CG2 4.4Å; L103-V110 HydrophobicContact CD2-CG2 4.25Å; L103-V110 HydrophobicContact CG-CG2 4.33Å
104M61.8Low65.7Low102 Ų10286.5 Ų86.550%0.50245%0.448SS..Hα-helixtrans-80-37.9-168.8-66.4-61.8-65.800113L81 I100 E101L81-M104 HydrophobicContact CD2-CE 3.75Å; L81-M104 HydrophobicContact CD2-SD 3.55Å; L81-M104 VanDerWaalsContact CD2-SD 3.55Å; I100-M104 HydrophobicContact CG2-CG 3.93Å; I100-M104 VanDerWaalsContact O-CB 3.28Å; I100-M104 WeakPolarHBondContact O-CB 3.21Å; I100-M104 WeakPolarHBondContact O-CG 3.46Å; I100-M104 PolarHBondContact O-N 3.48Å; E101-M104 PolarHBondContact O-N 3.38Å
105I69.2Low65.6Low130 Ų13083.6 Ų83.667%0.66744%0.437SS*.THydrogen-bonded Turntrans-94.5-41.6-176.7-53.3-170.6000110.6E101E101-I105 HydrophobicContact CG-CB 4.42Å; E101-I105 HydrophobicContact CG-CD1 3.62Å; E101-I105 HydrophobicContact CG-CG1 4.12Å; E101-I105 WeakPolarHBondContact O-CA 3.16Å; E101-I105 VanDerWaalsContact O-CB 3.26Å; E101-I105 WeakPolarHBondContact O-CB 3.19Å; E101-I105 PolarHBondContact O-N 3.12Å
106K68.9Low64.6Low119 Ų11980.5 Ų80.552%0.51743%0.429SS..THydrogen-bonded Turntrans-99.8-10.2-172.3-51.7179.2-176.3168.40113.6E101 R102 I108E101-K106 PolarHBondContact O-N 3.04Å; E101-K106 WeakPolarHBondContact OE1-CE 3.34Å; E101-K106 IonicContact OE1-NZ 3.34Å; E101-K106 PolarHBondContact OE1-NZ 3.16Å; R102-K106 CarbonylContact O-C 3.54Å; R102-K106 WeakPolarHBondContact O-CA 3.46Å; R102-K106 VanDerWaalsContact O-CB 3.32Å; R102-K106 WeakPolarHBondContact O-CB 3.27Å; R102-K106 PolarHBondContact O-N 2.98Å; K106-I108 HydrophobicContact CB-CD1 3.81Å; K106-I108 HydrophobicContact CB-CG1 3.87Å; K106-I108 HydrophobicContact CD-CD1 4.37Å; K106-I108 PolarHBondContact O-N 2.99Å
107G60.1Low63.9Low61 Ų6183.3 Ų83.363%0.62945%0.447SS*.  trans65.515.6-176.600000114R102 L103R102-G107 PolarHBondContact O-N 3.46Å; R102-G107 VanDerWaalsContact O-N 3.12Å; L103-G107 VanDerWaalsContact O-CA 3.31Å; L103-G107 WeakPolarHBondContact O-CA 3.38Å; L103-G107 PolarHBondContact O-N 2.68Å
108I65.6Low63.6Low66 Ų6684.7 Ų84.734%0.33845%0.449SS..  trans-88.6126.2-176.2-58.6173000108.2R102 L103 K106 V110R102-I108 PolarHBondContact O-N 3.15Å; L103-I108 WeakPolarHBondContact CA-O 3.39Å; K106-I108 HydrophobicContact CB-CD1 3.81Å; K106-I108 HydrophobicContact CB-CG1 3.87Å; K106-I108 HydrophobicContact CD-CD1 4.37Å; K106-I108 PolarHBondContact O-N 2.99Å; I108-V110 PolarHBondContact O-N 3.29Å
109P57.3Low63Low80 Ų8082.9 Ų82.952%0.51944%0.44SS..  trans-61135.9175.3-7.718.7000110.1N111 N112P109-N111 VanDerWaalsContact C-N 3.33Å; P109-N112 VanDerWaalsContact CB-OD1 3.31Å; P109-N112 WeakPolarHBondContact CB-OD1 3.34Å; P109-N112 PolarHBondContact O-OD1 3.44Å
110V55.6Low62.3Low42 Ų4281.5 Ų81.526%0.25543%0.434SS..SBendtrans-75.2-29.4-171.7-179.40000112Q99 L103 I108Q99-V110 HydrophobicContact CB-CB 4.47Å; Q99-V110 HydrophobicContact CB-CG1 3.36Å; Q99-V110 HydrophobicContact CB-CG2 4.26Å; Q99-V110 HydrophobicContact CG-CG1 3.25Å; Q99-V110 VanDerWaalsContact O-CG2 3.24Å; Q99-V110 WeakPolarHBondContact O-CG2 3.48Å; L103-V110 HydrophobicContact CB-CG2 3.69Å; L103-V110 HydrophobicContact CD1-CG2 4.4Å; L103-V110 HydrophobicContact CD2-CG2 4.25Å; L103-V110 HydrophobicContact CG-CG2 4.33Å; I108-V110 PolarHBondContact O-N 3.29Å
111N54.5Low62.1Low60 Ų6085.2 Ų85.232%0.32145%0.445SS..  trans-124.689.4-176-153.9-3.9000108.5P109 H113 A116P109-N111 VanDerWaalsContact C-N 3.33Å; N111-H113 PolarHBondContact O-N 2.69Å; N111-H113 PolarHBondContact OD1-CD2 3.4Å; N111-A116 HydrophobicContact CB-CB 4.43Å; N111-A116 WeakPolarHBondContact ND2-CB 3.32Å
112N56.1Low62.1Low115 Ų11587.8 Ų87.862%0.61546%0.458SS*.  trans-88.515.1177.8-63.9-10.7000112.1P109P109-N112 VanDerWaalsContact CB-OD1 3.31Å; P109-N112 WeakPolarHBondContact CB-OD1 3.34Å; P109-N112 PolarHBondContact O-OD1 3.44Å
113H59.1Low62.1Low94 Ų9486.6 Ų86.644%0.43546%0.456SS..  trans-72.5133175.5-81.1-73.3000110.1N111 D115 A116 F119N111-H113 PolarHBondContact O-N 2.69Å; N111-H113 PolarHBondContact OD1-CD2 3.4Å; H113-D115 PolarHBondContact O-N 3.49Å; H113-A116 PolarHBondContact O-N 3.19Å; H113-F119 HydrophobicContact CB-CB 4.4Å; H113-F119 AromaticContact CD2-CD1 3.66Å; H113-F119 AromaticContact CD2-CD2 3.78Å; H113-F119 AromaticContact CD2-CE1 3.88Å; H113-F119 AromaticContact CD2-CE2 3.99Å; H113-F119 AromaticContact CD2-CG 3.59Å; H113-F119 AromaticContact CE1-CD2 3.64Å; H113-F119 AromaticContact CE1-CE2 3.73Å; H113-F119 AromaticContact CG-CG 3.98Å; H113-F119 AromaticContact NE2-CD1 3.97Å; H113-F119 AromaticContact NE2-CD2 3.44Å; H113-F119 WeakPolarHBondContact NE2-CD2 3.43Å; H113-F119 AromaticContact NE2-CE1 3.85Å; H113-F119 AromaticContact NE2-CE2 3.29Å; H113-F119 VanDerWaalsContact NE2-CE2 3.29Å; H113-F119 WeakPolarHBondContact NE2-CE2 3.46Å; H113-F119 AromaticContact NE2-CG 3.77Å; H113-F119 AromaticContact NE2-CZ 3.5Å; H113-F119 WeakPolarHBondContact NE2-CZ 2.99Å
114D71.9Confident62Low180 Ų18083 Ų8396%0.96344%0.438SS*.THydrogen-bonded Turntrans-53.4-37.1175.2-61.1-31.3000111.5
115D72Confident62.3Low80 Ų8084 Ų8443%0.42844%0.439SS..THydrogen-bonded Turntrans-121.775.9171.2-169.2-16.2000111H113 V117 N118 F119H113-D115 PolarHBondContact O-N 3.49Å; D115-V117 PolarHBondContact O-N 3.18Å; D115-V117 PolarHBondContact OD1-N 2.7Å; D115-N118 PolarHBondContact O-N 3.31Å; D115-N118 PolarHBondContact OD1-N 3.47Å; D115-N118 WeakPolarHBondContact OD2-CB 3.28Å; D115-N118 PolarHBondContact OD2-ND2 3.28Å; D115-F119 PolarHBondContact O-N 3.48Å; D115-F119 VanDerWaalsContact O-N 3.17Å
116A51.7Low62.4Low32 Ų3283.4 Ų83.426%0.26443%0.432SS..Hα-helixtrans-53.8-31176.100000113.6N111 H113 V120N111-A116 HydrophobicContact CB-CB 4.43Å; N111-A116 WeakPolarHBondContact ND2-CB 3.32Å; H113-A116 PolarHBondContact O-N 3.19Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.47Å; A116-V120 PolarHBondContact O-N 3.47Å
117V56.7Low62.1Low70 Ų7080.1 Ų80.142%0.42442%0.419SS..Hα-helixtrans-73.5-49.7-175.6177.80000110.6D115 V120 R121D115-V117 PolarHBondContact O-N 3.18Å; D115-V117 PolarHBondContact OD1-N 2.7Å; V117-V120 PolarHBondContact O-N 2.89Å; V117-R121 WeakPolarHBondContact O-CG 3.36Å; V117-R121 PolarHBondContact O-N 3.38Å
118N63.4Low62.3Low69 Ų6977.7 Ų77.737%0.36939%0.394SS..Hα-helixtrans-69-37.3-179.9-79-28.3000112.1D115 V120 R121 E122D115-N118 PolarHBondContact O-N 3.31Å; D115-N118 PolarHBondContact OD1-N 3.47Å; D115-N118 WeakPolarHBondContact OD2-CB 3.28Å; D115-N118 PolarHBondContact OD2-ND2 3.28Å; N118-V120 VanDerWaalsContact C-N 3.31Å; N118-V120 PolarHBondContact O-N 2.82Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.03Å; N118-R121 VanDerWaalsContact O-N 3.15Å; N118-R121 PolarHBondContact OD1-NH1 3.4Å; N118-E122 PolarHBondContact O-N 2.95Å
119F61.6Low62.7Low62 Ų6280.3 Ų80.327%0.27241%0.405SS..Hα-helixtrans-55.2-46.8172.9176.5-100000112.1H113 D115 E122 K123H113-F119 HydrophobicContact CB-CB 4.4Å; H113-F119 AromaticContact CD2-CD1 3.66Å; H113-F119 AromaticContact CD2-CD2 3.78Å; H113-F119 AromaticContact CD2-CE1 3.88Å; H113-F119 AromaticContact CD2-CE2 3.99Å; H113-F119 AromaticContact CD2-CG 3.59Å; H113-F119 AromaticContact CE1-CD2 3.64Å; H113-F119 AromaticContact CE1-CE2 3.73Å; H113-F119 AromaticContact CG-CG 3.98Å; H113-F119 AromaticContact NE2-CD1 3.97Å; H113-F119 AromaticContact NE2-CD2 3.44Å; H113-F119 WeakPolarHBondContact NE2-CD2 3.43Å; H113-F119 AromaticContact NE2-CE1 3.85Å; H113-F119 AromaticContact NE2-CE2 3.29Å; H113-F119 VanDerWaalsContact NE2-CE2 3.29Å; H113-F119 WeakPolarHBondContact NE2-CE2 3.46Å; H113-F119 AromaticContact NE2-CG 3.77Å; H113-F119 AromaticContact NE2-CZ 3.5Å; H113-F119 WeakPolarHBondContact NE2-CZ 2.99Å; D115-F119 PolarHBondContact O-N 3.48Å; D115-F119 VanDerWaalsContact O-N 3.17Å; F119-E122 PolarHBondContact O-N 2.85Å; F119-K123 HydrophobicContact CD1-CG 4.49Å; F119-K123 HydrophobicContact CE1-CG 4.09Å; F119-K123 HydrophobicContact CE2-CG 4.32Å; F119-K123 HydrophobicContact CZ-CD 4.44Å; F119-K123 HydrophobicContact CZ-CG 4.01Å; F119-K123 WeakPolarHBondContact O-CG 3.27Å; F119-K123 PolarHBondContact O-N 3.34Å; F119-K123 VanDerWaalsContact O-N 3.12Å
120V55.3Low63.1Low14 Ų1481.9 Ų81.99%0.08541%0.409CS..Hα-helixtrans-69.5-36.1179.41800000111.5F86 A116 V117 N118 K123 T124F86-V120 HydrophobicContact CB-CG1 4.09Å; F86-V120 HydrophobicContact CD1-CB 4.34Å; F86-V120 HydrophobicContact CD1-CG1 3.3Å; F86-V120 HydrophobicContact CD2-CB 4.48Å; F86-V120 HydrophobicContact CD2-CG1 3.72Å; F86-V120 HydrophobicContact CD2-CG2 4.41Å; F86-V120 HydrophobicContact CE1-CB 3.88Å; F86-V120 HydrophobicContact CE1-CG1 3.31Å; F86-V120 HydrophobicContact CE2-CB 4.15Å; F86-V120 HydrophobicContact CE2-CG1 3.85Å; F86-V120 HydrophobicContact CE2-CG2 4.09Å; F86-V120 HydrophobicContact CG-CG1 3.46Å; F86-V120 VanDerWaalsContact CG-CG1 3.46Å; F86-V120 HydrophobicContact CZ-CB 3.84Å; F86-V120 HydrophobicContact CZ-CG1 3.66Å; F86-V120 HydrophobicContact CZ-CG2 4.23Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.47Å; A116-V120 PolarHBondContact O-N 3.47Å; V117-V120 PolarHBondContact O-N 2.89Å; N118-V120 VanDerWaalsContact C-N 3.31Å; N118-V120 PolarHBondContact O-N 2.82Å; V120-K123 PolarHBondContact O-N 2.87Å; V120-T124 WeakPolarHBondContact O-CB 3.29Å; V120-T124 PolarHBondContact O-N 3.26Å; V120-T124 PolarHBondContact O-OG1 3.28Å
121R63.2Low63.6Low116 Ų11683.9 Ų83.944%0.43842%0.417SS..Hα-helixtrans-58.7-47.1174.4-77.5173.7166.8175.1-7.1111.9V117 N118 T124 K125V117-R121 WeakPolarHBondContact O-CG 3.36Å; V117-R121 PolarHBondContact O-N 3.38Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.03Å; N118-R121 VanDerWaalsContact O-N 3.15Å; N118-R121 PolarHBondContact OD1-NH1 3.4Å; R121-T124 PolarHBondContact O-N 3.33Å; R121-K125 WeakPolarHBondContact O-CB 3.24Å; R121-K125 PolarHBondContact O-N 3.44Å
122E71.5Confident64.5Low137 Ų13788.6 Ų88.664%0.6444%0.442SS*.Hα-helixtrans-62.3-45.4178-71.8-177.3171.200111.9N118 F119 T124 K125 K126N118-E122 PolarHBondContact O-N 2.95Å; F119-E122 PolarHBondContact O-N 2.85Å; E122-T124 VanDerWaalsContact C-N 3.33Å; E122-T124 PolarHBondContact O-N 2.68Å; E122-K125 PolarHBondContact O-N 3.37Å; E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 PolarHBondContact O-N 3.17Å
123K66Low64.6Low108 Ų10887.2 Ų87.247%0.4743%0.434SS..Hα-helixtrans-63.2-40.4176.6-67.9-61.5-177.9-171.50112.2F119 V120 K126 L127F119-K123 HydrophobicContact CD1-CG 4.49Å; F119-K123 HydrophobicContact CE1-CG 4.09Å; F119-K123 HydrophobicContact CE2-CG 4.32Å; F119-K123 HydrophobicContact CZ-CD 4.44Å; F119-K123 HydrophobicContact CZ-CG 4.01Å; F119-K123 WeakPolarHBondContact O-CG 3.27Å; F119-K123 PolarHBondContact O-N 3.34Å; F119-K123 VanDerWaalsContact O-N 3.12Å; V120-K123 PolarHBondContact O-N 2.87Å; K123-K126 PolarHBondContact O-N 3.34Å; K123-L127 WeakPolarHBondContact O-CB 3.5Å; K123-L127 PolarHBondContact O-N 3.18Å
124T60.3Low64.5Low6 Ų688.4 Ų88.44%0.03745%0.452CS..Hα-helixtrans-67.4-43.4179.1-57.90000110.8A88 V120 R121 E122 L127 A128 L135A88-T124 HydrophobicContact CB-CG2 4.28Å; A88-T124 WeakPolarHBondContact CB-OG1 3.44Å; V120-T124 WeakPolarHBondContact O-CB 3.29Å; V120-T124 PolarHBondContact O-N 3.26Å; V120-T124 PolarHBondContact O-OG1 3.28Å; R121-T124 PolarHBondContact O-N 3.33Å; E122-T124 VanDerWaalsContact C-N 3.33Å; E122-T124 PolarHBondContact O-N 2.68Å; T124-L127 PolarHBondContact O-N 2.99Å; T124-A128 WeakPolarHBondContact O-CB 3.32Å; T124-A128 PolarHBondContact O-N 3.35Å; T124-L135 HydrophobicContact CG2-CD1 3.47Å; T124-L135 VanDerWaalsContact CG2-CD1 3.47Å; T124-L135 HydrophobicContact CG2-CD2 4.41Å; T124-L135 WeakPolarHBondContact O-CD1 3.31Å
125K68.9Low63.6Low123 Ų12382.4 Ų82.454%0.53542%0.42SS..Hα-helixtrans-59.9-46173.3-174.5-179.1-179.9-178.20111.7R121 E122 A128 Q129 L137R121-K125 WeakPolarHBondContact O-CB 3.24Å; R121-K125 PolarHBondContact O-N 3.44Å; E122-K125 PolarHBondContact O-N 3.37Å; K125-A128 PolarHBondContact O-N 3.38Å; K125-Q129 WeakPolarHBondContact O-CG 3.46Å; K125-Q129 PolarHBondContact O-N 3.48Å; K125-Q129 VanDerWaalsContact O-N 3.08Å; K125-L137 HydrophobicContact CB-CD1 4.39Å
126K71.2Confident62.4Low117 Ų11783.1 Ų83.151%0.50943%0.429SS..Hα-helixtrans-61.9-48.7177.2-175.7179177.5179.10111.7E122 K123 A128 Q129 D130E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 PolarHBondContact O-N 3.17Å; K123-K126 PolarHBondContact O-N 3.34Å; K126-A128 VanDerWaalsContact C-N 3.28Å; K126-A128 PolarHBondContact O-N 3.33Å; K126-Q129 WeakPolarHBondContact O-CB 3.43Å; K126-Q129 PolarHBondContact O-N 3.2Å; K126-Q129 VanDerWaalsContact O-N 3.12Å; K126-D130 VanDerWaalsContact O-CG 3.31Å; K126-D130 PolarHBondContact O-N 3.29Å
127L62.8Low62Low50 Ų5085.8 Ų85.826%0.26244%0.438SS..Hα-helixtrans-60-40.5179.3-179.763.4000111.8A88 Y91 K123 T124 Q129 D130 L131A88-L127 HydrophobicContact CB-CD2 4.38Å; Y91-L127 HydrophobicContact CD2-CD2 3.75Å; Y91-L127 HydrophobicContact CG-CD2 4.14Å; K123-L127 WeakPolarHBondContact O-CB 3.5Å; K123-L127 PolarHBondContact O-N 3.18Å; T124-L127 PolarHBondContact O-N 2.99Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.38Å; L127-D130 PolarHBondContact O-N 2.97Å; L127-L131 HydrophobicContact CD1-CD1 3.81Å; L127-L131 HydrophobicContact CD1-CG 4.04Å; L127-L131 HydrophobicContact CD2-CD1 4.45Å; L127-L131 HydrophobicContact CG-CD1 3.83Å; L127-L131 HydrophobicContact CG-CG 4.37Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.12Å
128A64.3Low61Low11 Ų1185.9 Ų85.99%0.09145%0.453CS..Hα-helixtrans-65-37.1176.500000113.2T124 K125 K126 N132 M133 L135T124-A128 WeakPolarHBondContact O-CB 3.32Å; T124-A128 PolarHBondContact O-N 3.35Å; K125-A128 PolarHBondContact O-N 3.38Å; K126-A128 VanDerWaalsContact C-N 3.28Å; K126-A128 PolarHBondContact O-N 3.33Å; A128-N132 PolarHBondContact O-N 3.44Å; A128-M133 PolarHBondContact O-N 3.31Å; A128-L135 HydrophobicContact CB-CD1 3.25Å; A128-L135 HydrophobicContact CB-CD2 4.3Å; A128-L135 HydrophobicContact CB-CG 3.4Å; A128-L135 VanDerWaalsContact CB-CG 3.4Å
129Q73.1Confident59.5Low121 Ų12185.6 Ų85.657%0.56547%0.466SS*.Hα-helixtrans-63.7-47.9170.8-70.3172.9-27.600110.9K125 K126 L127 L131 N132K125-Q129 WeakPolarHBondContact O-CG 3.46Å; K125-Q129 PolarHBondContact O-N 3.48Å; K125-Q129 VanDerWaalsContact O-N 3.08Å; K126-Q129 WeakPolarHBondContact O-CB 3.43Å; K126-Q129 PolarHBondContact O-N 3.2Å; K126-Q129 VanDerWaalsContact O-N 3.12Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.38Å; Q129-L131 PolarHBondContact O-N 2.86Å; Q129-N132 PolarHBondContact O-N 3.26Å; Q129-N132 VanDerWaalsContact O-N 3.11Å
130D65.5Low58.2Low113 Ų11393 Ų9360%0.60452%0.517SS*.Hα-helixtrans-61.7-32.7179.6-66.1-19.1000112.1K126 L127K126-D130 VanDerWaalsContact O-CG 3.31Å; K126-D130 PolarHBondContact O-N 3.29Å; L127-D130 PolarHBondContact O-N 2.97Å
131L67.5Low58.4Low83 Ų8397 Ų9744%0.43554%0.539SS..THydrogen-bonded Turntrans-92.31.3178.1-65.6176.4000114.2L127 Q129 M133L127-L131 HydrophobicContact CD1-CD1 3.81Å; L127-L131 HydrophobicContact CD1-CG 4.04Å; L127-L131 HydrophobicContact CD2-CD1 4.45Å; L127-L131 HydrophobicContact CG-CD1 3.83Å; L127-L131 HydrophobicContact CG-CG 4.37Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.12Å; Q129-L131 PolarHBondContact O-N 2.86Å; L131-M133 HydrophobicContact CB-CB 4.48Å; L131-M133 HydrophobicContact CB-CG 3.92Å; L131-M133 HydrophobicContact CB-SD 4.09Å; L131-M133 HydrophobicContact CD1-SD 4.03Å; L131-M133 PolarHBondContact O-N 3.19Å
132N73.1Confident58.1Low159 Ų15995.9 Ų95.985%0.8554%0.544SS*.THydrogen-bonded Turntrans49.836.5-171.2-84.5-21.5000113.7A128 Q129A128-N132 PolarHBondContact O-N 3.44Å; Q129-N132 PolarHBondContact O-N 3.26Å; Q129-N132 VanDerWaalsContact O-N 3.11Å
133M57.2Low57.4Low87 Ų8793.7 Ų93.743%0.42954%0.539SS..  trans-99.1132.2177.9-70.7-178.261.500110.9A128 L131 L135A128-M133 PolarHBondContact O-N 3.31Å; L131-M133 HydrophobicContact CB-CB 4.48Å; L131-M133 HydrophobicContact CB-CG 3.92Å; L131-M133 HydrophobicContact CB-SD 4.09Å; L131-M133 HydrophobicContact CD1-SD 4.03Å; L131-M133 PolarHBondContact O-N 3.19Å; M133-L135 PolarHBondContact O-N 3.47Å
134S58Low56.9Low118 Ų11892.8 Ų92.883%0.82554%0.543SS*.  trans-76.7109.3164.259.70000108.9
135L52.1Low56.7Low55 Ų5598.3 Ų98.329%0.28857%0.574SS.*  trans-78.7140.6169.3-68.6167.7000109.9T124 A128 M133 L137T124-L135 HydrophobicContact CG2-CD1 3.47Å; T124-L135 VanDerWaalsContact CG2-CD1 3.47Å; T124-L135 HydrophobicContact CG2-CD2 4.41Å; T124-L135 WeakPolarHBondContact O-CD1 3.31Å; A128-L135 HydrophobicContact CB-CD1 3.25Å; A128-L135 HydrophobicContact CB-CD2 4.3Å; A128-L135 HydrophobicContact CB-CG 3.4Å; A128-L135 VanDerWaalsContact CB-CG 3.4Å; M133-L135 PolarHBondContact O-N 3.47Å; L135-L137 HydrophobicContact CB-CB 4.5Å; L135-L137 HydrophobicContact CB-CD1 4.13Å; L135-L137 HydrophobicContact CB-CG 3.68Å; L135-L137 HydrophobicContact CD1-CD1 3.63Å; L135-L137 HydrophobicContact CD1-CD2 4.3Å; L135-L137 HydrophobicContact CD1-CG 3.84Å; L135-L137 HydrophobicContact CG-CG 4.46Å; L135-L137 PolarHBondContact O-N 3Å
136P46.8Very low55.9Low95 Ų9596.6 Ų96.662%0.61758%0.577SS**  trans-73.965.9160.633-32.6000108.8G138P136-G138 PolarHBondContact O-N 3.23Å
137L44.3Very low54.8Low88 Ų8895.1 Ų95.146%0.46158%0.582SS.*  trans-79.458.7165.5-68.9172.3000108.2K125 L135K125-L137 HydrophobicContact CB-CD1 4.39Å; L135-L137 HydrophobicContact CB-CB 4.5Å; L135-L137 HydrophobicContact CB-CD1 4.13Å; L135-L137 HydrophobicContact CB-CG 3.68Å; L135-L137 HydrophobicContact CD1-CD1 3.63Å; L135-L137 HydrophobicContact CD1-CD2 4.3Å; L135-L137 HydrophobicContact CD1-CG 3.84Å; L135-L137 HydrophobicContact CG-CG 4.46Å; L135-L137 PolarHBondContact O-N 3Å
138G33.9Very low54.1Low71 Ų7198.6 Ų98.673%0.73261%0.606SS**  trans-105.1104177.600000109.4P136P136-G138 PolarHBondContact O-N 3.23Å
139G33.7Very low53.3Low63 Ų63105.9 Ų105.965%0.64965%0.649SS**  trans-178.684.7174.100000109.1
140T34.5Very low51.5Low218 Ų218104.5 Ų104.5100%1.33766%0.657SS**  trans-56.40160.245.50000110.8

Retrieved 140 of 140 residues in 104.6 ms (Link to these results)