A0A060XSN9_ONCMY Loading...

Uncharacterized protein

Regulates independently canonical Wnt and Notch signaling by modulating LEF1 and Notch protein turnover. Stabilizes LEF1, a pivotal transcription factor in the Wnt signaling cascade, by blocking its ubiquitination. Involved in angiogenesis; involved in intersegmental vessel patterning during development.

AlphaFold DB , UniProt , Accession A0A060XSN9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 112 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
1M33.8Very low44.2Very low243 Ų243121.5 Ų121.5100%1.19774%0.744SS**  0124.80-77.4150.472.900107.1
2S45.1Very low45.7Very low119 Ų119115.8 Ų115.883%0.83271%0.711SS**  trans-65.1141.8-162.4-37.70000113.2
3Q36.8Very low47.3Very low201 Ų201110.1 Ų110.194%0.93967%0.671SS**  177.2134.2110-64.7-134.88.100105.2
4G37.2Very low48.6Very low65 Ų65109.4 Ų109.467%0.6766%0.66SS**  cis176.2149.75.800000102.6V6G4-V6 PolarHBondContact O-N 3.06Å; G4-V6 VanDerWaalsContact O-N 3.07Å
5D36.7Very low50.3Low150 Ų150106.9 Ų106.980%0.80265%0.645SS**  trans-37.5115.8-179.7-69.3-84.9000113.4S7D5-S7 WeakPolarHBondContact CB-OG 3.48Å; D5-S7 PolarHBondContact O-N 3.36Å
6V51.8Low51.9Low129 Ų129100.2 Ų100.278%0.78260%0.604SS**  trans-79.270.1158.9630000107G4 T8G4-V6 PolarHBondContact O-N 3.06Å; G4-V6 VanDerWaalsContact O-N 3.07Å; V6-T8 PolarHBondContact O-N 3.45Å
7S45.2Very low53.1Low79 Ų7995.7 Ų95.755%0.55258%0.576SS**  trans-60.7118.6175.6-59.80000109.6D5D5-S7 WeakPolarHBondContact CB-OG 3.48Å; D5-S7 PolarHBondContact O-N 3.36Å
8T43Very low54.3Low128 Ų12895.3 Ų95.379%0.78557%0.566SS**SBendtrans5570.2130.264.20000117.4V6V6-T8 PolarHBondContact O-N 3.45Å
9C43.3Very low55.5Low98 Ų9890.4 Ų90.466%0.66254%0.538SS*.  trans178.438.5142.9-97.80000110.7
10S51.8Low56.6Low54 Ų5485.9 Ų85.938%0.37851%0.511SS..Hα-helixtrans-82-30.8-158.7-154.80000115.2Q13 I14S10-Q13 PolarHBondContact O-N 3.46Å; S10-I14 WeakPolarHBondContact O-CB 3.47Å; S10-I14 VanDerWaalsContact O-CG1 3.22Å; S10-I14 WeakPolarHBondContact O-CG1 3.28Å; S10-I14 PolarHBondContact O-N 2.68Å; S10-I14 WeakPolarHBondContact OG-CD1 3.43Å
11A61.1Low57.4Low71 Ų7186.4 Ų86.459%0.58751%0.507SS*.Hα-helixtrans-61.2-51.8-174.100000114.6Q13 V15A11-Q13 VanDerWaalsContact C-N 3.32Å; A11-Q13 PolarHBondContact O-N 3.45Å; A11-V15 WeakPolarHBondContact O-CB 3.49Å; A11-V15 WeakPolarHBondContact O-CG2 2.98Å; A11-V15 PolarHBondContact O-N 2.99Å; A11-V15 VanDerWaalsContact O-N 3.09Å
12P63Low59.4Low53 Ų5380.7 Ų80.734%0.34448%0.477SS..Hα-helixtrans-67.3-32.3-178.224.4-33000113F16 M35P12-F16 WeakPolarHBondContact O-CB 3.44Å; P12-F16 PolarHBondContact O-N 3.42Å; P12-F16 VanDerWaalsContact O-N 3.08Å; P12-M35 HydrophobicContact CB-CE 3.9Å; P12-M35 HydrophobicContact CB-CG 4.45Å; P12-M35 HydrophobicContact CB-SD 3.45Å; P12-M35 WeakPolarHBondContact CB-SD 3.5Å; P12-M35 WeakPolarHBondContact O-CE 3.46Å
13Q65.9Low60.6Low41 Ų4176.5 Ų76.519%0.19245%0.452CS..Hα-helixtrans-74-43.5-179-145.1114.836.100112.1S10 A11 F16 Q17 N41 S44S10-Q13 PolarHBondContact O-N 3.46Å; A11-Q13 VanDerWaalsContact C-N 3.32Å; A11-Q13 PolarHBondContact O-N 3.45Å; Q13-F16 PolarHBondContact O-N 3.15Å; Q13-Q17 PolarHBondContact O-N 3.32Å; Q13-N41 PolarHBondContact NE2-O 3Å; Q13-S44 WeakPolarHBondContact CG-OG 3.49Å; Q13-S44 VanDerWaalsContact NE2-CB 3.26Å; Q13-S44 PolarHBondContact NE2-OG 3.42Å
14I66.4Low62.3Low100 Ų10070 Ų7051%0.51342%0.424SS..Hα-helixtrans-62.7-46.8175.2-70.2173.1000110.2S10 F16 Q17 E18S10-I14 WeakPolarHBondContact O-CB 3.47Å; S10-I14 VanDerWaalsContact O-CG1 3.22Å; S10-I14 WeakPolarHBondContact O-CG1 3.28Å; S10-I14 PolarHBondContact O-N 2.68Å; S10-I14 WeakPolarHBondContact OG-CD1 3.43Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3.44Å; I14-Q17 PolarHBondContact O-N 2.91Å; I14-E18 WeakPolarHBondContact O-CB 3.48Å; I14-E18 PolarHBondContact O-N 3.31Å
15V72.8Confident63.9Low72 Ų7269.2 Ų69.244%0.43641%0.406SS..Hα-helixtrans-60.3-41.4178.9171.10000111.1A11 A19 L31A11-V15 WeakPolarHBondContact O-CB 3.49Å; A11-V15 WeakPolarHBondContact O-CG2 2.98Å; A11-V15 PolarHBondContact O-N 2.99Å; A11-V15 VanDerWaalsContact O-N 3.09Å; V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.46Å; V15-L31 HydrophobicContact CG1-CD1 4.2Å; V15-L31 HydrophobicContact CG1-CD2 4Å
16F76.3Confident65.6Low0 Ų069.8 Ų69.80%040%0.402CS..Hα-helixtrans-60.9-47.2174.8170.6-100.8000112.4P12 Q13 I14 E18 A19 V20 L28 L32 M35 F40 A52 L68P12-F16 WeakPolarHBondContact O-CB 3.44Å; P12-F16 PolarHBondContact O-N 3.42Å; P12-F16 VanDerWaalsContact O-N 3.08Å; Q13-F16 PolarHBondContact O-N 3.15Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3.44Å; F16-E18 VanDerWaalsContact C-N 3.32Å; F16-E18 PolarHBondContact O-N 2.97Å; F16-A19 WeakPolarHBondContact O-CB 3.28Å; F16-A19 PolarHBondContact O-N 3.49Å; F16-A19 VanDerWaalsContact O-N 3.16Å; F16-V20 HydrophobicContact CD1-CG2 4.37Å; F16-V20 HydrophobicContact CE1-CG2 4.13Å; F16-V20 HydrophobicContact CZ-CG2 4.22Å; F16-V20 WeakPolarHBondContact O-CG2 3.47Å; F16-V20 PolarHBondContact O-N 3.31Å; F16-L28 HydrophobicContact CD2-CD2 3.29Å; F16-L28 HydrophobicContact CE2-CD2 3.17Å; F16-L28 HydrophobicContact CG-CD2 4.24Å; F16-L28 HydrophobicContact CZ-CD2 4.07Å; F16-L32 HydrophobicContact CD2-CD2 4.13Å; F16-L32 HydrophobicContact CD2-CG 4.44Å; F16-L32 HydrophobicContact CE2-CD1 4.17Å; F16-L32 HydrophobicContact CE2-CD2 3.46Å; F16-L32 VanDerWaalsContact CE2-CD2 3.46Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.16Å; F16-M35 HydrophobicContact CB-CE 4.4Å; F16-F40 HydrophobicContact CB-CE2 3.91Å; F16-F40 HydrophobicContact CB-CZ 3.99Å; F16-F40 HydrophobicContact CD1-CE2 4.13Å; F16-F40 AromaticContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD2-CE1 4.31Å; F16-F40 HydrophobicContact CD2-CE2 4.27Å; F16-F40 AromaticContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CE1-CE1 4.35Å; F16-F40 AromaticContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE2-CE1 4.12Å; F16-F40 AromaticContact CE2-CZ 3.73Å; F16-F40 HydrophobicContact CE2-CZ 3.73Å; F16-F40 AromaticContact CG-CE2 3.87Å; F16-F40 HydrophobicContact CG-CE2 3.87Å; F16-F40 AromaticContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CG-CZ 3.42Å; F16-F40 VanDerWaalsContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CZ-CE1 4.1Å; F16-F40 AromaticContact CZ-CZ 3.74Å; F16-F40 HydrophobicContact CZ-CZ 3.74Å; F16-A52 HydrophobicContact CD1-CB 4.31Å; F16-A52 HydrophobicContact CE1-CB 3.36Å; F16-A52 HydrophobicContact CZ-CB 3.92Å; F16-L68 HydrophobicContact CE1-CD2 4.33Å; F16-L68 HydrophobicContact CE2-CD2 4.24Å; F16-L68 HydrophobicContact CZ-CD2 3.45Å; F16-L68 VanDerWaalsContact CZ-CD2 3.45Å
17Q72.6Confident66.6Low24 Ų2467.4 Ų67.411%0.11238%0.382CS..Hα-helixtrans-70.6-32.9-176.4-154148.738.900112.4Q13 I14 V20 K21 G46 Q50Q13-Q17 PolarHBondContact O-N 3.32Å; I14-Q17 PolarHBondContact O-N 2.91Å; Q17-V20 PolarHBondContact O-N 3.47Å; Q17-K21 PolarHBondContact O-N 3.43Å; Q17-G46 VanDerWaalsContact CD-CA 3.48Å; Q17-Q50 PolarHBondContact NE2-O 3.38Å; Q17-Q50 VanDerWaalsContact NE2-O 3.13Å
18E73.9Confident68Low88 Ų8863.7 Ų63.741%0.41136%0.356SS..Hα-helixtrans-63-43.4168.8-174.256.1-148.500111.2I14 F16 V20 K21 Q22I14-E18 WeakPolarHBondContact O-CB 3.48Å; I14-E18 PolarHBondContact O-N 3.31Å; F16-E18 VanDerWaalsContact C-N 3.32Å; F16-E18 PolarHBondContact O-N 2.97Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 2.97Å; E18-K21 WeakPolarHBondContact O-CB 3.44Å; E18-K21 PolarHBondContact O-N 2.91Å; E18-K21 VanDerWaalsContact O-N 3.12Å; E18-Q22 WeakPolarHBondContact O-CG 3.45Å; E18-Q22 PolarHBondContact O-N 3.42Å; E18-Q22 PolarHBondContact OE1-NE2 2.98Å; E18-Q22 VanDerWaalsContact OE1-NE2 3.09Å
19A77.4Confident69.5Low3 Ų362 Ų623%0.02534%0.339CS..Hα-helixtrans-63.1-33.8175.500000112.9V15 F16 G23 E27 L28 L31V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.46Å; F16-A19 WeakPolarHBondContact O-CB 3.28Å; F16-A19 PolarHBondContact O-N 3.49Å; F16-A19 VanDerWaalsContact O-N 3.16Å; A19-G23 PolarHBondContact O-N 3.03Å; A19-E27 HydrophobicContact CB-CG 4.42Å; A19-L28 HydrophobicContact CB-CD2 4.23Å; A19-L28 HydrophobicContact CB-CG 4.06Å; A19-L31 HydrophobicContact CB-CD1 3.56Å
20V78Confident71.1Confident0 Ų060.9 Ų60.90%033%0.332CS..Hα-helixtrans-64.1-47.6170.9-177.70000110.7F16 Q17 E18 Q22 G23 L28 A52 Q55F16-V20 HydrophobicContact CD1-CG2 4.37Å; F16-V20 HydrophobicContact CE1-CG2 4.13Å; F16-V20 HydrophobicContact CZ-CG2 4.22Å; F16-V20 WeakPolarHBondContact O-CG2 3.47Å; F16-V20 PolarHBondContact O-N 3.31Å; Q17-V20 PolarHBondContact O-N 3.47Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 2.97Å; V20-Q22 VanDerWaalsContact C-N 3.25Å; V20-Q22 PolarHBondContact O-N 3.36Å; V20-G23 PolarHBondContact O-N 3.23Å; V20-L28 HydrophobicContact CB-CD1 4.19Å; V20-L28 HydrophobicContact CG2-CD1 3.69Å; V20-L28 HydrophobicContact CG2-CD2 3.83Å; V20-L28 HydrophobicContact CG2-CG 4.33Å; V20-A52 HydrophobicContact CG1-CB 4.42Å; V20-A52 HydrophobicContact CG2-CB 3.68Å; V20-Q55 HydrophobicContact CG1-CB 3.85Å; V20-Q55 HydrophobicContact CG1-CG 3.88Å
21K74.3Confident72.2Confident96 Ų9659.8 Ų59.842%0.41732%0.322SS..Hα-helixtrans-59.8-35.5178.1-80.6-173.7163.8-171.10113Q17 E18 G23 Q55Q17-K21 PolarHBondContact O-N 3.43Å; E18-K21 WeakPolarHBondContact O-CB 3.44Å; E18-K21 PolarHBondContact O-N 2.91Å; E18-K21 VanDerWaalsContact O-N 3.12Å; K21-G23 PolarHBondContact O-N 3.43Å; K21-Q55 HydrophobicContact CG-CG 4.21Å
22Q75.1Confident72.7Confident124 Ų12456.5 Ų56.558%0.57930%0.295SS*.THydrogen-bonded Turntrans-75-7.4176.8-66.7-170.128.900113.1E18 V20 N24E18-Q22 WeakPolarHBondContact O-CG 3.45Å; E18-Q22 PolarHBondContact O-N 3.42Å; E18-Q22 PolarHBondContact OE1-NE2 2.98Å; E18-Q22 VanDerWaalsContact OE1-NE2 3.09Å; V20-Q22 VanDerWaalsContact C-N 3.25Å; V20-Q22 PolarHBondContact O-N 3.36Å; Q22-N24 PolarHBondContact O-N 3.33Å; Q22-N24 VanDerWaalsContact O-N 3.13Å
23G69.6Low73.1Confident30 Ų3060.5 Ų60.531%0.30931%0.309SS..THydrogen-bonded Turntrans66.710.9179.100000114A19 V20 K21 T25A19-G23 PolarHBondContact O-N 3.03Å; V20-G23 PolarHBondContact O-N 3.23Å; K21-G23 PolarHBondContact O-N 3.43Å; G23-T25 PolarHBondContact O-N 2.89Å
24N72.6Confident73.1Confident64 Ų6464.7 Ų64.734%0.34233%0.332SS..  trans-81.885.5-174.3-169.30.2000110.7Q22 K26 E27 L28Q22-N24 PolarHBondContact O-N 3.33Å; Q22-N24 VanDerWaalsContact O-N 3.13Å; N24-K26 PolarHBondContact O-N 3.29Å; N24-K26 VanDerWaalsContact O-N 3.15Å; N24-E27 HydrophobicContact CB-CB 4.06Å; N24-E27 WeakPolarHBondContact ND2-CB 3.31Å; N24-E27 PolarHBondContact ND2-OE2 3.32Å; N24-E27 PolarHBondContact O-N 3.22Å; N24-L28 PolarHBondContact O-N 2.75Å
25T70.7Confident73Confident49 Ų4961 Ų6130%0.30131%0.313SS..Hα-helixtrans-58.2-29.3-176.664.30000113.8G23 H29 L64G23-T25 PolarHBondContact O-N 2.89Å; T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.83Å; T25-L64 HydrophobicContact CG2-CD1 4.29Å; T25-L64 HydrophobicContact CG2-CD2 3.61Å; T25-L64 HydrophobicContact CG2-CG 3.71Å
26K72.9Confident72.2Confident162 Ų16262.5 Ų62.570%0.70432%0.323SS*.Hα-helixtrans-71.8-44.6178.3-66.4-178.2-179.61770111.8N24 L28 H29 S30N24-K26 PolarHBondContact O-N 3.29Å; N24-K26 VanDerWaalsContact O-N 3.15Å; K26-L28 VanDerWaalsContact C-N 3.33Å; K26-H29 WeakPolarHBondContact O-CB 3.47Å; K26-H29 PolarHBondContact O-N 2.78Å; K26-S30 PolarHBondContact O-N 3.41Å; K26-S30 PolarHBondContact O-OG 2.98Å
27E72.3Confident71.4Confident80 Ų8069.8 Ų69.837%0.37436%0.362SS..Hα-helixtrans-66.8-38.7177.1-176172.2-167.700111A19 N24 H29 S30 L31A19-E27 HydrophobicContact CB-CG 4.42Å; N24-E27 HydrophobicContact CB-CB 4.06Å; N24-E27 WeakPolarHBondContact ND2-CB 3.31Å; N24-E27 PolarHBondContact ND2-OE2 3.32Å; N24-E27 PolarHBondContact O-N 3.22Å; E27-H29 PolarHBondContact O-N 3.39Å; E27-S30 PolarHBondContact O-N 3.06Å; E27-L31 HydrophobicContact CG-CD1 3.98Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 WeakPolarHBondContact O-CB 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.28Å; E27-L31 PolarHBondContact O-N 3.41Å
28L74.1Confident70.5Confident0 Ų073.1 Ų73.10%039%0.386CS..Hα-helixtrans-62.1-41.5172.5-93.9174.4000113.4F16 A19 V20 N24 K26 L31 L32 L64 L67F16-L28 HydrophobicContact CD2-CD2 3.29Å; F16-L28 HydrophobicContact CE2-CD2 3.17Å; F16-L28 HydrophobicContact CG-CD2 4.24Å; F16-L28 HydrophobicContact CZ-CD2 4.07Å; A19-L28 HydrophobicContact CB-CD2 4.23Å; A19-L28 HydrophobicContact CB-CG 4.06Å; V20-L28 HydrophobicContact CB-CD1 4.19Å; V20-L28 HydrophobicContact CG2-CD1 3.69Å; V20-L28 HydrophobicContact CG2-CD2 3.83Å; V20-L28 HydrophobicContact CG2-CG 4.33Å; N24-L28 PolarHBondContact O-N 2.75Å; K26-L28 VanDerWaalsContact C-N 3.33Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-L32 VanDerWaalsContact O-CB 3.31Å; L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.96Å; L28-L64 HydrophobicContact CB-CD2 4.4Å; L28-L64 HydrophobicContact CD1-CD1 4.2Å; L28-L64 HydrophobicContact CD1-CD2 3.37Å; L28-L64 HydrophobicContact CD1-CG 4.41Å; L28-L67 HydrophobicContact CB-CD2 4.13Å
29H75.1Confident69.8Low92 Ų9279 Ų7943%0.42641%0.414SS..Hα-helixtrans-59.4-46.4174-108.8-73.1000111.9T25 K26 E27 Q33 L67T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.83Å; K26-H29 WeakPolarHBondContact O-CB 3.47Å; K26-H29 PolarHBondContact O-N 2.78Å; E27-H29 PolarHBondContact O-N 3.39Å; H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 WeakPolarHBondContact O-CG 3.5Å; H29-Q33 PolarHBondContact O-N 2.96Å; H29-L67 VanDerWaalsContact CD2-CD1 3.5Å; H29-L67 WeakPolarHBondContact CD2-CD1 3.47Å; H29-L67 WeakPolarHBondContact CE1-CD1 3.39Å; H29-L67 WeakPolarHBondContact NE2-CD1 3.48Å
30S78.1Confident69.4Low76 Ų7680.7 Ų80.753%0.53142%0.421SS..Hα-helixtrans-66.1-42.6178-62.60000112.2K26 E27 Q33 N34K26-S30 PolarHBondContact O-N 3.41Å; K26-S30 PolarHBondContact O-OG 2.98Å; E27-S30 PolarHBondContact O-N 3.06Å; S30-Q33 PolarHBondContact O-N 3.13Å; S30-N34 WeakPolarHBondContact O-CB 3.16Å; S30-N34 PolarHBondContact O-N 3.3Å
31L73.5Confident69.4Low30 Ų3084.9 Ų84.916%0.15744%0.443CS..Hα-helixtrans-62.3-49.2176.5-81165.8000110.8V15 A19 E27 L28 Q33 N34 M35V15-L31 HydrophobicContact CG1-CD1 4.2Å; V15-L31 HydrophobicContact CG1-CD2 4Å; A19-L31 HydrophobicContact CB-CD1 3.56Å; E27-L31 HydrophobicContact CG-CD1 3.98Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 WeakPolarHBondContact O-CB 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.28Å; E27-L31 PolarHBondContact O-N 3.41Å; L28-L31 PolarHBondContact O-N 3.47Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.39Å; L31-N34 PolarHBondContact O-N 3.12Å; L31-N34 VanDerWaalsContact O-N 3.16Å; L31-M35 HydrophobicContact CB-CE 4.48Å; L31-M35 HydrophobicContact CD2-CE 4.11Å; L31-M35 VanDerWaalsContact O-CB 3.31Å; L31-M35 WeakPolarHBondContact O-CB 3.36Å; L31-M35 PolarHBondContact O-N 3.07Å
32L71.9Confident69.7Low2 Ų280.8 Ų80.81%0.0143%0.426CS..Hα-helixtrans-63.8-36.7178.8-73.3174.1000112.5F16 L28 N34 T36 F40 L67 F71F16-L32 HydrophobicContact CD2-CD2 4.13Å; F16-L32 HydrophobicContact CD2-CG 4.44Å; F16-L32 HydrophobicContact CE2-CD1 4.17Å; F16-L32 HydrophobicContact CE2-CD2 3.46Å; F16-L32 VanDerWaalsContact CE2-CD2 3.46Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.16Å; L28-L32 VanDerWaalsContact O-CB 3.31Å; L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.96Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-F40 HydrophobicContact CD2-CD1 4.13Å; L32-F40 HydrophobicContact CD2-CE1 3.52Å; L32-F40 HydrophobicContact CD2-CZ 4.21Å; L32-L67 HydrophobicContact CD1-CD2 3.39Å; L32-L67 HydrophobicContact CD1-CG 3.76Å; L32-F71 HydrophobicContact CB-CD1 4.38Å; L32-F71 HydrophobicContact CB-CD2 4.37Å; L32-F71 HydrophobicContact CB-CE1 3.92Å; L32-F71 HydrophobicContact CB-CE2 3.91Å; L32-F71 HydrophobicContact CB-CZ 3.66Å; L32-F71 HydrophobicContact CD1-CD2 3.55Å; L32-F71 HydrophobicContact CD1-CE2 3.68Å; L32-F71 HydrophobicContact CD1-CG 4.07Å; L32-F71 HydrophobicContact CD1-CZ 4.3Å; L32-F71 HydrophobicContact CD2-CD1 4.42Å; L32-F71 HydrophobicContact CD2-CG 4.35Å; L32-F71 HydrophobicContact CG-CD2 4.41Å; L32-F71 HydrophobicContact CG-CE2 4.37Å
33Q72.4Confident70Confident138 Ų13876.7 Ų76.765%0.64541%0.408SS*.Hα-helixtrans-69.1-30.4174.1-80.2-171.1-21.100113.5H29 S30 L31 T36H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 WeakPolarHBondContact O-CG 3.5Å; H29-Q33 PolarHBondContact O-N 2.96Å; S30-Q33 PolarHBondContact O-N 3.13Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.39Å; Q33-T36 PolarHBondContact O-OG1 3.38Å
34N66Low70.7Confident128 Ų12876.1 Ų76.168%0.68440%0.4SS*.Hα-helixtrans-84.2-31.8178.5-164.637.2000112.1S30 L31 L32 T36S30-N34 WeakPolarHBondContact O-CB 3.16Å; S30-N34 PolarHBondContact O-N 3.3Å; L31-N34 PolarHBondContact O-N 3.12Å; L31-N34 VanDerWaalsContact O-N 3.16Å; L32-N34 VanDerWaalsContact C-N 3.35Å; N34-T36 VanDerWaalsContact C-N 3.31Å; N34-T36 PolarHBondContact O-N 3.27Å
35M63.2Low71.1Confident23 Ų2377.8 Ų77.811%0.11340%0.404CS..Hα-helixtrans-78.9-8.2-176.5-132.189.177.200114.2P12 F16 L31 N37 C38 F40P12-M35 HydrophobicContact CB-CE 3.9Å; P12-M35 HydrophobicContact CB-CG 4.45Å; P12-M35 HydrophobicContact CB-SD 3.45Å; P12-M35 WeakPolarHBondContact CB-SD 3.5Å; P12-M35 WeakPolarHBondContact O-CE 3.46Å; F16-M35 HydrophobicContact CB-CE 4.4Å; L31-M35 HydrophobicContact CB-CE 4.48Å; L31-M35 HydrophobicContact CD2-CE 4.11Å; L31-M35 VanDerWaalsContact O-CB 3.31Å; L31-M35 WeakPolarHBondContact O-CB 3.36Å; L31-M35 PolarHBondContact O-N 3.07Å; M35-N37 PolarHBondContact O-N 2.92Å; M35-C38 PolarHBondContact O-N 3.33Å; M35-C38 VanDerWaalsContact O-N 3.11Å; M35-C38 VanDerWaalsContact O-O 3.12Å; M35-F40 HydrophobicContact CB-CB 4.14Å; M35-F40 HydrophobicContact CB-CD2 4.31Å; M35-F40 HydrophobicContact CB-CG 4.11Å; M35-F40 HydrophobicContact CE-CD2 4.23Å; M35-F40 HydrophobicContact CE-CE2 4.15Å; M35-F40 HydrophobicContact CG-CB 3.84Å; M35-F40 HydrophobicContact CG-CD2 3.64Å; M35-F40 HydrophobicContact CG-CE2 4.43Å; M35-F40 HydrophobicContact CG-CG 3.84Å
36T57.3Low71.4Confident104 Ų10475.8 Ų75.864%0.63839%0.394SS*.THydrogen-bonded Turntrans-61.5-8175.144.60000113.9L32 Q33 N34 F71L32-T36 WeakPolarHBondContact O-CG2 3.36Å; Q33-T36 PolarHBondContact O-OG1 3.38Å; N34-T36 VanDerWaalsContact C-N 3.31Å; N34-T36 PolarHBondContact O-N 3.27Å; T36-F71 HydrophobicContact CG2-CE1 4.43Å
37N57.7Low71.5Confident153 Ų15373.1 Ų73.182%0.81839%0.393SS*.THydrogen-bonded Turntrans-90.8-4177.6-148.859.9000114M35M35-N37 PolarHBondContact O-N 2.92Å
38C54.6Low71.7Confident93 Ų9375.7 Ų75.763%0.62841%0.405SS*.SBendtrans-128.4158.4175.6-640000109.7M35 F40M35-C38 PolarHBondContact O-N 3.33Å; M35-C38 VanDerWaalsContact O-N 3.11Å; M35-C38 VanDerWaalsContact O-O 3.12Å; C38-F40 PolarHBondContact O-N 3.01Å
39E59.1Low72Confident211 Ų21175.7 Ų75.799%0.98641%0.405SS*.  trans-62.879.3170-86.2178.384.900110.8
40F69.9Low72.4Confident39 Ų3973.1 Ų73.117%0.17139%0.393CS..  trans-89.4113.7178.2177.8-101.5000110.2F16 L32 M35 C38 V42F16-F40 HydrophobicContact CB-CE2 3.91Å; F16-F40 HydrophobicContact CB-CZ 3.99Å; F16-F40 HydrophobicContact CD1-CE2 4.13Å; F16-F40 AromaticContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD2-CE1 4.31Å; F16-F40 HydrophobicContact CD2-CE2 4.27Å; F16-F40 AromaticContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CE1-CE1 4.35Å; F16-F40 AromaticContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE2-CE1 4.12Å; F16-F40 AromaticContact CE2-CZ 3.73Å; F16-F40 HydrophobicContact CE2-CZ 3.73Å; F16-F40 AromaticContact CG-CE2 3.87Å; F16-F40 HydrophobicContact CG-CE2 3.87Å; F16-F40 AromaticContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CG-CZ 3.42Å; F16-F40 VanDerWaalsContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CZ-CE1 4.1Å; F16-F40 AromaticContact CZ-CZ 3.74Å; F16-F40 HydrophobicContact CZ-CZ 3.74Å; L32-F40 HydrophobicContact CD2-CD1 4.13Å; L32-F40 HydrophobicContact CD2-CE1 3.52Å; L32-F40 HydrophobicContact CD2-CZ 4.21Å; M35-F40 HydrophobicContact CB-CB 4.14Å; M35-F40 HydrophobicContact CB-CD2 4.31Å; M35-F40 HydrophobicContact CB-CG 4.11Å; M35-F40 HydrophobicContact CE-CD2 4.23Å; M35-F40 HydrophobicContact CE-CE2 4.15Å; M35-F40 HydrophobicContact CG-CB 3.84Å; M35-F40 HydrophobicContact CG-CD2 3.64Å; M35-F40 HydrophobicContact CG-CE2 4.43Å; M35-F40 HydrophobicContact CG-CG 3.84Å; C38-F40 PolarHBondContact O-N 3.01Å; F40-V42 HydrophobicContact CD1-CG1 3.92Å; F40-V42 HydrophobicContact CE1-CB 4.11Å; F40-V42 HydrophobicContact CE1-CG1 3.73Å
41N77.3Confident72.9Confident88 Ų8869.6 Ų69.647%0.47137%0.368SS..  trans-93.6103.4178.1-177.57.8000112Q13 N43 S44Q13-N41 PolarHBondContact NE2-O 3Å; N41-N43 PolarHBondContact O-N 3.45Å; N41-N43 WeakPolarHBondContact OD1-CB 3.38Å; N41-N43 PolarHBondContact OD1-N 3.36Å; N41-S44 PolarHBondContact O-N 2.99Å; N41-S44 PolarHBondContact O-OG 3.06Å
42V79.7Confident73.5Confident11 Ų1168.2 Ų68.27%0.06736%0.361CS..THydrogen-bonded Turntrans-64.5-17.5-178.6-28.90000113.5F40 S44 F71 A73F40-V42 HydrophobicContact CD1-CG1 3.92Å; F40-V42 HydrophobicContact CE1-CB 4.11Å; F40-V42 HydrophobicContact CE1-CG1 3.73Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-F71 HydrophobicContact CG1-CB 4.2Å; V42-F71 WeakPolarHBondContact CG1-O 3.32Å; V42-A73 HydrophobicContact CG2-CB 3.61Å; V42-A73 VanDerWaalsContact CG2-N 3.33Å
43N83.3Confident74.3Confident37 Ų3768.2 Ų68.220%0.19836%0.361CS..THydrogen-bonded Turntrans-93.212-176.9-61.4-47.9000113.2N41 G72 A73 D74 L77N41-N43 PolarHBondContact O-N 3.45Å; N41-N43 WeakPolarHBondContact OD1-CB 3.38Å; N41-N43 PolarHBondContact OD1-N 3.36Å; N43-G72 PolarHBondContact ND2-O 3.16Å; N43-A73 WeakPolarHBondContact OD1-CA 3.43Å; N43-D74 PolarHBondContact OD1-N 2.98Å; N43-L77 HydrophobicContact CB-CD2 4.31Å
44S82.4Confident75.1Confident19 Ų1961.7 Ų61.713%0.13333%0.331CS..  trans-64135.1176.556.20000112.1Q13 N41 V42Q13-S44 WeakPolarHBondContact CG-OG 3.49Å; Q13-S44 VanDerWaalsContact NE2-CB 3.26Å; Q13-S44 PolarHBondContact NE2-OG 3.42Å; N41-S44 PolarHBondContact O-N 2.99Å; N41-S44 PolarHBondContact O-OG 3.06Å; V42-S44 VanDerWaalsContact C-N 3.34Å
45F81.6Confident76.2Confident98 Ų9857 Ų5743%0.4331%0.305SS..  trans-77.5132171.2-63.9-79.7000110.5G49 T51 L77 A78F45-G49 WeakPolarHBondContact CD1-O 3.26Å; F45-T51 HydrophobicContact CD1-CG2 3.83Å; F45-T51 HydrophobicContact CE1-CG2 3.92Å; F45-T51 HydrophobicContact CG-CG2 4.39Å; F45-L77 HydrophobicContact CE1-CD2 3.84Å; F45-L77 HydrophobicContact CE1-CG 4.37Å; F45-L77 HydrophobicContact CE2-CD2 4.09Å; F45-L77 HydrophobicContact CZ-CD1 4.22Å; F45-L77 HydrophobicContact CZ-CD2 3.47Å; F45-L77 VanDerWaalsContact CZ-CD2 3.47Å; F45-L77 HydrophobicContact CZ-CG 3.83Å; F45-A78 WeakPolarHBondContact CE1-O 3.43Å
46G77.9Confident77.4Confident8 Ų856 Ų568%0.08230%0.299CS..  trans-77.8-178.7171.300000113.1Q17 E48 G49 Q50Q17-G46 VanDerWaalsContact CD-CA 3.48Å; G46-E48 PolarHBondContact O-N 3.42Å; G46-G49 PolarHBondContact O-N 3.4Å; G46-Q50 PolarHBondContact N-O 3.21Å
47P74.9Confident79Confident106 Ų10651 Ų5169%0.68827%0.269SS*.THydrogen-bonded Turntrans-58-33.9179.422.9-33000112.7G49P47-G49 PolarHBondContact O-N 3.12Å
48E75.1Confident80.5Confident134 Ų13447 Ų4763%0.62625%0.247SC*.THydrogen-bonded Turntrans-78.13.2176.9-57.4-57.4145.400113.6G46 Q50G46-E48 PolarHBondContact O-N 3.42Å; E48-Q50 PolarHBondContact O-N 3.27Å
49G82.1Confident82Confident0 Ų046.1 Ų46.10%024%0.236CC..SBendtrans71.217.6-177.700000114.7F45 G46 P47 N79 R80F45-G49 WeakPolarHBondContact CD1-O 3.26Å; G46-G49 PolarHBondContact O-N 3.4Å; P47-G49 PolarHBondContact O-N 3.12Å; G49-N79 WeakPolarHBondContact O-CB 3.36Å; G49-R80 VanDerWaalsContact CA-CD 3.47Å; G49-R80 PolarHBondContact O-N 3.3Å
50Q83.6Confident83.4Confident38 Ų3837.4 Ų37.418%0.17820%0.203CC..  trans-110.9147.6177.9-65.4-177.5-10.500109.9Q17 G46 E48 H54 N79Q17-Q50 PolarHBondContact NE2-O 3.38Å; Q17-Q50 VanDerWaalsContact NE2-O 3.13Å; G46-Q50 PolarHBondContact N-O 3.21Å; E48-Q50 PolarHBondContact O-N 3.27Å; Q50-H54 HydrophobicContact CB-CB 4.04Å; Q50-H54 HydrophobicContact CG-CB 4.47Å; Q50-N79 HydrophobicContact CG-CB 4.46Å
51T87.8Confident84.3Confident1 Ų137.6 Ų37.61%0.00621%0.205CC..  trans-89.2167.3169.868.50000110.8F45 L53 H54 Q55 L77F45-T51 HydrophobicContact CD1-CG2 3.83Å; F45-T51 HydrophobicContact CE1-CG2 3.92Å; F45-T51 HydrophobicContact CG-CG2 4.39Å; T51-L53 PolarHBondContact O-N 3.21Å; T51-L53 PolarHBondContact OG1-N 3.38Å; T51-H54 PolarHBondContact N-ND1 3.3Å; T51-H54 WeakPolarHBondContact O-CB 3.3Å; T51-H54 PolarHBondContact O-N 3Å; T51-H54 PolarHBondContact OG1-CE1 3.21Å; T51-H54 PolarHBondContact OG1-ND1 3.1Å; T51-Q55 PolarHBondContact O-N 2.91Å; T51-Q55 VanDerWaalsContact O-N 3.11Å; T51-L77 HydrophobicContact CG2-CD2 3.41Å; T51-L77 VanDerWaalsContact CG2-CD2 3.41Å
52A86.1Confident84.8Confident1 Ų135.2 Ų35.21%0.00819%0.193CC..Hα-helixtrans-53.4-35.4171.800000112.9F16 V20 Q55 S56 L68F16-A52 HydrophobicContact CD1-CB 4.31Å; F16-A52 HydrophobicContact CE1-CB 3.36Å; F16-A52 HydrophobicContact CZ-CB 3.92Å; V20-A52 HydrophobicContact CG1-CB 4.42Å; V20-A52 HydrophobicContact CG2-CB 3.68Å; A52-Q55 PolarHBondContact O-N 3.2Å; A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3Å; A52-S56 PolarHBondContact O-OG 3.31Å; A52-L68 VanDerWaalsContact C-CD1 3.48Å; A52-L68 HydrophobicContact CB-CD1 3.97Å; A52-L68 HydrophobicContact CB-CD2 3.99Å; A52-L68 WeakPolarHBondContact O-CD1 3.46Å
53L89.2Confident85.3Confident2 Ų240.1 Ų40.11%0.0122%0.215CC..Hα-helixtrans-63.9-45.7176.4-172.569.3000110.9T51 Q55 S56 V57 V65 L68 V69 A73 I75 A85T51-L53 PolarHBondContact O-N 3.21Å; T51-L53 PolarHBondContact OG1-N 3.38Å; L53-Q55 PolarHBondContact O-N 3.3Å; L53-S56 PolarHBondContact O-N 3.37Å; L53-S56 PolarHBondContact O-OG 3.4Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.05Å; L53-V57 VanDerWaalsContact O-N 3.09Å; L53-V65 HydrophobicContact CD1-CG1 4.05Å; L53-L68 HydrophobicContact CB-CD1 4.44Å; L53-L68 HydrophobicContact CD1-CB 4.19Å; L53-L68 HydrophobicContact CD1-CD1 4.39Å; L53-V69 HydrophobicContact CD1-CG2 4.04Å; L53-A73 HydrophobicContact CB-CB 4.44Å; L53-A73 HydrophobicContact CD1-CB 4.47Å; L53-A73 HydrophobicContact CD2-CB 4.41Å; L53-I75 HydrophobicContact CD2-CB 4.3Å; L53-I75 HydrophobicContact CD2-CG2 3.97Å; L53-A85 HydrophobicContact CD2-CB 3.78Å; L53-A85 HydrophobicContact CG-CB 4.07Å
54H89.7Confident85.4Confident1 Ų138.3 Ų38.31%0.00521%0.205CC..Hα-helixtrans-58.7-47.8177-6497.5000111.2Q50 T51 S56 V57 I58 L77 N79 W83 I88Q50-H54 HydrophobicContact CB-CB 4.04Å; Q50-H54 HydrophobicContact CG-CB 4.47Å; T51-H54 PolarHBondContact N-ND1 3.3Å; T51-H54 WeakPolarHBondContact O-CB 3.3Å; T51-H54 PolarHBondContact O-N 3Å; T51-H54 PolarHBondContact OG1-CE1 3.21Å; T51-H54 PolarHBondContact OG1-ND1 3.1Å; H54-S56 PolarHBondContact O-N 3.45Å; H54-V57 PolarHBondContact O-N 3.06Å; H54-V57 VanDerWaalsContact O-N 3.16Å; H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.49Å; H54-I58 PolarHBondContact O-N 3.41Å; H54-L77 PolarHBondContact CE1-O 3.21Å; H54-L77 PolarHBondContact NE2-O 3.44Å; H54-N79 PolarHBondContact NE2-N 3.42Å; H54-W83 PolarHBondContact NE2-O 3.42Å; H54-W83 VanDerWaalsContact NE2-O 3.14Å; H54-I88 HydrophobicContact CB-CD1 3.87Å
55Q87.8Confident85.7Confident31 Ų3137.4 Ų37.415%0.14520%0.199CC..Hα-helixtrans-59.4-46.6177.9-172.367.457.200111.9V20 K21 T51 A52 L53 V57 I58 D59V20-Q55 HydrophobicContact CG1-CB 3.85Å; V20-Q55 HydrophobicContact CG1-CG 3.88Å; K21-Q55 HydrophobicContact CG-CG 4.21Å; T51-Q55 PolarHBondContact O-N 2.91Å; T51-Q55 VanDerWaalsContact O-N 3.11Å; A52-Q55 PolarHBondContact O-N 3.2Å; L53-Q55 PolarHBondContact O-N 3.3Å; Q55-V57 PolarHBondContact O-N 3Å; Q55-I58 WeakPolarHBondContact O-CB 3.24Å; Q55-I58 PolarHBondContact O-N 2.82Å; Q55-I58 VanDerWaalsContact O-N 3.09Å; Q55-D59 PolarHBondContact NE2-OD1 2.98Å; Q55-D59 VanDerWaalsContact O-CG 3.24Å; Q55-D59 PolarHBondContact O-N 3.16Å
56S88.3Confident86.1Confident0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-60.6-30178.968.50000113.6A52 L53 H54 G60 N61 V65A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3Å; A52-S56 PolarHBondContact O-OG 3.31Å; L53-S56 PolarHBondContact O-N 3.37Å; L53-S56 PolarHBondContact O-OG 3.4Å; H54-S56 PolarHBondContact O-N 3.45Å; S56-G60 PolarHBondContact O-N 3.01Å; S56-N61 PolarHBondContact O-N 3.27Å; S56-V65 VanDerWaalsContact OG-CG2 3.3Å; S56-V65 WeakPolarHBondContact OG-CG2 3.44Å
57V91.1Very high86.5Confident0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-78.1-40.2175.9175.50000111.3L53 H54 Q55 D59 G60 V65 A85 I88 A89 H94 I97 L101L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.05Å; L53-V57 VanDerWaalsContact O-N 3.09Å; H54-V57 PolarHBondContact O-N 3.06Å; H54-V57 VanDerWaalsContact O-N 3.16Å; Q55-V57 PolarHBondContact O-N 3Å; V57-D59 PolarHBondContact O-N 2.72Å; V57-G60 PolarHBondContact O-N 3.42Å; V57-G60 VanDerWaalsContact O-N 3.07Å; V57-V65 HydrophobicContact CG2-CG2 3.76Å; V57-A85 WeakPolarHBondContact CG1-O 3.4Å; V57-A85 HydrophobicContact CG2-CB 4.18Å; V57-I88 HydrophobicContact CB-CG2 4.37Å; V57-I88 HydrophobicContact CG1-CB 3.92Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; V57-A89 VanDerWaalsContact CG1-CA 3.46Å; V57-A89 HydrophobicContact CG1-CB 3.51Å; V57-A89 VanDerWaalsContact CG1-N 3.31Å; V57-H94 PolarHBondContact O-CD2 3.42Å; V57-H94 PolarHBondContact O-NE2 3.33Å; V57-I97 HydrophobicContact CG1-CG2 4.19Å; V57-I97 HydrophobicContact CG2-CG2 3.93Å; V57-L101 HydrophobicContact CG2-CD1 4.47Å
58I88.8Confident87Confident70 Ų7031.1 Ų31.136%0.35916%0.159SC..Hα-helixtrans-58.1-42173.5-67168.3000110.1H54 Q55 G60 I88H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.49Å; H54-I58 PolarHBondContact O-N 3.41Å; Q55-I58 WeakPolarHBondContact O-CB 3.24Å; Q55-I58 PolarHBondContact O-N 2.82Å; Q55-I58 VanDerWaalsContact O-N 3.09Å; I58-G60 PolarHBondContact O-N 3.42Å; I58-I88 HydrophobicContact CB-CG2 4.45Å; I58-I88 HydrophobicContact CD1-CD1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 4.23Å; I58-I88 HydrophobicContact CG1-CG2 3.52Å
59D86.6Confident87.6Confident73 Ų7325.8 Ų25.839%0.3914%0.135SC..THydrogen-bonded Turntrans-74.9-7.7180-60.7-15.1000112.7Q55 V57 N61Q55-D59 PolarHBondContact NE2-OD1 2.98Å; Q55-D59 VanDerWaalsContact O-CG 3.24Å; Q55-D59 PolarHBondContact O-N 3.16Å; V57-D59 PolarHBondContact O-N 2.72Å; D59-N61 HydrophobicContact CB-CB 4.49Å; D59-N61 PolarHBondContact O-N 3.11Å
60G88.8Confident87.7Confident28 Ų2834.1 Ų34.129%0.28917%0.171SC..THydrogen-bonded Turntrans67.319.2-176.600000114.1S56 V57 I58 L62S56-G60 PolarHBondContact O-N 3.01Å; V57-G60 PolarHBondContact O-N 3.42Å; V57-G60 VanDerWaalsContact O-N 3.07Å; I58-G60 PolarHBondContact O-N 3.42Å; G60-L62 PolarHBondContact O-N 2.99Å
61N88.1Confident87.5Confident43 Ų4335.7 Ų35.723%0.2318%0.178CC..  trans-91.190.7-173.8-166.9-24.9000111.9S56 D59 E63 L64 V65S56-N61 PolarHBondContact O-N 3.27Å; D59-N61 HydrophobicContact CB-CB 4.49Å; D59-N61 PolarHBondContact O-N 3.11Å; N61-E63 VanDerWaalsContact C-N 3.28Å; N61-E63 PolarHBondContact O-N 3.37Å; N61-E63 PolarHBondContact OD1-N 3.3Å; N61-L64 HydrophobicContact CB-CB 4.16Å; N61-L64 HydrophobicContact CB-CD1 4.1Å; N61-L64 HydrophobicContact CB-CG 4.23Å; N61-L64 WeakPolarHBondContact ND2-CD1 3.5Å; N61-L64 PolarHBondContact O-N 3.39Å; N61-L64 PolarHBondContact OD1-N 3.19Å; N61-V65 WeakPolarHBondContact O-CG2 3.28Å; N61-V65 PolarHBondContact O-N 3.18Å; N61-V65 VanDerWaalsContact O-N 3.1Å
62L89.3Confident87.3Confident39 Ų3938 Ų3820%0.20420%0.202CC..Hα-helixtrans-57.3-37-179.4178.764.5000113.6G60 L64 V65 K66 D96 I97 Y100G60-L62 PolarHBondContact O-N 2.99Å; L62-L64 VanDerWaalsContact C-N 3.35Å; L62-V65 PolarHBondContact O-N 2.98Å; L62-K66 HydrophobicContact CD1-CG 4.42Å; L62-K66 HydrophobicContact CG-CD 4.27Å; L62-K66 WeakPolarHBondContact O-CG 3.31Å; L62-K66 PolarHBondContact O-N 3.15Å; L62-D96 HydrophobicContact CD2-CB 4.03Å; L62-I97 HydrophobicContact CB-CG1 4.15Å; L62-I97 HydrophobicContact CD1-CG1 3.99Å; L62-Y100 HydrophobicContact CD1-CG 4.32Å
63E88.9Confident87.3Confident113 Ų11338.4 Ų38.453%0.52821%0.206SC..Hα-helixtrans-67.9-37.5-178.7-65.6-54.9121.100111.4N61 K66 L67N61-E63 VanDerWaalsContact C-N 3.28Å; N61-E63 PolarHBondContact O-N 3.37Å; N61-E63 PolarHBondContact OD1-N 3.3Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 IonicContact OE1-NZ 2.75Å; E63-K66 PolarHBondContact OE1-NZ 3.31Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 PolarHBondContact O-N 3.2Å
64L85.8Confident87.2Confident0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-65.7-42.9171.5-73.5-176.2000112.3T25 L28 N61 L62 K66 L67 L68T25-L64 HydrophobicContact CG2-CD1 4.29Å; T25-L64 HydrophobicContact CG2-CD2 3.61Å; T25-L64 HydrophobicContact CG2-CG 3.71Å; L28-L64 HydrophobicContact CB-CD2 4.4Å; L28-L64 HydrophobicContact CD1-CD1 4.2Å; L28-L64 HydrophobicContact CD1-CD2 3.37Å; L28-L64 HydrophobicContact CD1-CG 4.41Å; N61-L64 HydrophobicContact CB-CB 4.16Å; N61-L64 HydrophobicContact CB-CD1 4.1Å; N61-L64 HydrophobicContact CB-CG 4.23Å; N61-L64 WeakPolarHBondContact ND2-CD1 3.5Å; N61-L64 PolarHBondContact O-N 3.39Å; N61-L64 PolarHBondContact OD1-N 3.19Å; L62-L64 VanDerWaalsContact C-N 3.35Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 2.96Å; L64-L67 HydrophobicContact CD2-CD2 4.31Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 2.97Å; L64-L68 WeakPolarHBondContact O-CB 3.13Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 2.88Å
65V89.2Confident87Confident0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-57.2-48176173.10000110.6L53 S56 V57 N61 L62 L67 L68 V69 I97 Y100 L101L53-V65 HydrophobicContact CD1-CG1 4.05Å; S56-V65 VanDerWaalsContact OG-CG2 3.3Å; S56-V65 WeakPolarHBondContact OG-CG2 3.44Å; V57-V65 HydrophobicContact CG2-CG2 3.76Å; N61-V65 WeakPolarHBondContact O-CG2 3.28Å; N61-V65 PolarHBondContact O-N 3.18Å; N61-V65 VanDerWaalsContact O-N 3.1Å; L62-V65 PolarHBondContact O-N 2.98Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.47Å; V65-L68 PolarHBondContact O-N 3.12Å; V65-V69 HydrophobicContact CG1-CG2 4.49Å; V65-V69 WeakPolarHBondContact O-CB 3.46Å; V65-V69 VanDerWaalsContact O-CG2 3.28Å; V65-V69 WeakPolarHBondContact O-CG2 3.41Å; V65-V69 PolarHBondContact O-N 2.82Å; V65-I97 HydrophobicContact CG1-CG2 4.34Å; V65-I97 HydrophobicContact CG2-CD1 4.2Å; V65-I97 HydrophobicContact CG2-CG2 4.12Å; V65-Y100 HydrophobicContact CG1-CD1 3.92Å; V65-Y100 HydrophobicContact CG1-CE1 4.2Å; V65-L101 HydrophobicContact CG1-CD2 4.11Å
66K88.6Confident86.9Confident68 Ų6851.2 Ų51.230%0.29626%0.259SS..Hα-helixtrans-60.3-43.4177.6-73170.3-177.6164.60112.1L62 E63 L64 K70 Y100L62-K66 HydrophobicContact CD1-CG 4.42Å; L62-K66 HydrophobicContact CG-CD 4.27Å; L62-K66 WeakPolarHBondContact O-CG 3.31Å; L62-K66 PolarHBondContact O-N 3.15Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 IonicContact OE1-NZ 2.75Å; E63-K66 PolarHBondContact OE1-NZ 3.31Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 2.96Å; K66-K70 VanDerWaalsContact O-CB 3.32Å; K66-K70 WeakPolarHBondContact O-CB 3.41Å; K66-K70 PolarHBondContact O-N 2.93Å; K66-Y100 HydrophobicContact CG-CD1 4.47Å; K66-Y100 HydrophobicContact CG-CD2 4.13Å; K66-Y100 HydrophobicContact CG-CE1 4.06Å; K66-Y100 HydrophobicContact CG-CE2 3.69Å; K66-Y100 HydrophobicContact CG-CG 4.5Å
67L86.1Confident86.8Confident11 Ų1153.2 Ų53.26%0.05827%0.27CS..Hα-helixtrans-58.4-55.4177.3-171.787.5000110.4L28 H29 L32 E63 L64 V65 V69 K70 F71L28-L67 HydrophobicContact CB-CD2 4.13Å; H29-L67 VanDerWaalsContact CD2-CD1 3.5Å; H29-L67 WeakPolarHBondContact CD2-CD1 3.47Å; H29-L67 WeakPolarHBondContact CE1-CD1 3.39Å; H29-L67 WeakPolarHBondContact NE2-CD1 3.48Å; L32-L67 HydrophobicContact CD1-CD2 3.39Å; L32-L67 HydrophobicContact CD1-CG 3.76Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 PolarHBondContact O-N 3.2Å; L64-L67 HydrophobicContact CD2-CD2 4.31Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 2.97Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.47Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.39Å; L67-K70 WeakPolarHBondContact O-CA 3.45Å; L67-K70 WeakPolarHBondContact O-CB 3.4Å; L67-K70 PolarHBondContact O-N 3.42Å; L67-F71 HydrophobicContact CD1-CE2 4.11Å; L67-F71 HydrophobicContact CG-CD2 4.22Å; L67-F71 HydrophobicContact CG-CE2 4.23Å; L67-F71 VanDerWaalsContact O-CD2 3.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 2.83Å; L67-F71 VanDerWaalsContact O-N 3.07Å
68L85.8Confident86.6Confident1 Ų155.3 Ų55.31%0.00529%0.287CS..Hα-helixtrans-59.6-45-177.3-66.9172.3000111.7F16 A52 L53 L64 V65 K70 F71 G72 A73F16-L68 HydrophobicContact CE1-CD2 4.33Å; F16-L68 HydrophobicContact CE2-CD2 4.24Å; F16-L68 HydrophobicContact CZ-CD2 3.45Å; F16-L68 VanDerWaalsContact CZ-CD2 3.45Å; A52-L68 VanDerWaalsContact C-CD1 3.48Å; A52-L68 HydrophobicContact CB-CD1 3.97Å; A52-L68 HydrophobicContact CB-CD2 3.99Å; A52-L68 WeakPolarHBondContact O-CD1 3.46Å; L53-L68 HydrophobicContact CB-CD1 4.44Å; L53-L68 HydrophobicContact CD1-CB 4.19Å; L53-L68 HydrophobicContact CD1-CD1 4.39Å; L64-L68 WeakPolarHBondContact O-CB 3.13Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 2.88Å; V65-L68 PolarHBondContact O-N 3.12Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 3.18Å; L68-F71 CarbonylContact O-C 3.51Å; L68-F71 PolarHBondContact O-N 3.14Å; L68-F71 VanDerWaalsContact O-N 3.12Å; L68-G72 PolarHBondContact O-N 3.07Å; L68-A73 VanDerWaalsContact C-CB 3.41Å; L68-A73 HydrophobicContact CB-CB 3.91Å; L68-A73 WeakPolarHBondContact O-CB 3.49Å; L68-A73 PolarHBondContact O-N 3.09Å
69V87.4Confident86.5Confident22 Ų2252.4 Ų52.413%0.13327%0.272CS..Hα-helixtrans-63.3-36.8176.3173.50000111.7L53 V65 L67 F71 G72 I75 Y100 K104L53-V69 HydrophobicContact CD1-CG2 4.04Å; V65-V69 HydrophobicContact CG1-CG2 4.49Å; V65-V69 WeakPolarHBondContact O-CB 3.46Å; V65-V69 VanDerWaalsContact O-CG2 3.28Å; V65-V69 WeakPolarHBondContact O-CG2 3.41Å; V65-V69 PolarHBondContact O-N 2.82Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.39Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.29Å; V69-G72 PolarHBondContact O-N 3.09Å; V69-G72 VanDerWaalsContact O-N 3.13Å; V69-I75 HydrophobicContact CG2-CG2 3.57Å; V69-Y100 HydrophobicContact CB-CE1 4.14Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.13Å; V69-K104 HydrophobicContact CG1-CD 4.26Å; V69-K104 HydrophobicContact CG1-CG 4.19Å
70K84.9Confident86.5Confident174 Ų17458.1 Ų58.176%0.75729%0.288SS*.Hα-helixtrans-63.8-32.1174.9-175.4178.9179.3-179.80112.4K66 L67 L68 G72K66-K70 VanDerWaalsContact O-CB 3.32Å; K66-K70 WeakPolarHBondContact O-CB 3.41Å; K66-K70 PolarHBondContact O-N 2.93Å; L67-K70 WeakPolarHBondContact O-CA 3.45Å; L67-K70 WeakPolarHBondContact O-CB 3.4Å; L67-K70 PolarHBondContact O-N 3.42Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 3.18Å; K70-G72 VanDerWaalsContact C-N 3.28Å
71F79.6Confident86.3Confident71 Ų7163.7 Ų63.731%0.31131%0.307SS..THydrogen-bonded Turntrans-87.210.3175.7-79.4-86000113.7L32 T36 V42 L67 L68 V69L32-F71 HydrophobicContact CB-CD1 4.38Å; L32-F71 HydrophobicContact CB-CD2 4.37Å; L32-F71 HydrophobicContact CB-CE1 3.92Å; L32-F71 HydrophobicContact CB-CE2 3.91Å; L32-F71 HydrophobicContact CB-CZ 3.66Å; L32-F71 HydrophobicContact CD1-CD2 3.55Å; L32-F71 HydrophobicContact CD1-CE2 3.68Å; L32-F71 HydrophobicContact CD1-CG 4.07Å; L32-F71 HydrophobicContact CD1-CZ 4.3Å; L32-F71 HydrophobicContact CD2-CD1 4.42Å; L32-F71 HydrophobicContact CD2-CG 4.35Å; L32-F71 HydrophobicContact CG-CD2 4.41Å; L32-F71 HydrophobicContact CG-CE2 4.37Å; T36-F71 HydrophobicContact CG2-CE1 4.43Å; V42-F71 HydrophobicContact CG1-CB 4.2Å; V42-F71 WeakPolarHBondContact CG1-O 3.32Å; L67-F71 HydrophobicContact CD1-CE2 4.11Å; L67-F71 HydrophobicContact CG-CD2 4.22Å; L67-F71 HydrophobicContact CG-CE2 4.23Å; L67-F71 VanDerWaalsContact O-CD2 3.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 2.83Å; L67-F71 VanDerWaalsContact O-N 3.07Å; L68-F71 CarbonylContact O-C 3.51Å; L68-F71 PolarHBondContact O-N 3.14Å; L68-F71 VanDerWaalsContact O-N 3.12Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.29Å
72G82.7Confident86.3Confident50 Ų5063.9 Ų63.952%0.51532%0.319SS..THydrogen-bonded Turntrans9323.6174.200000114.8N43 L68 V69 K70 D74N43-G72 PolarHBondContact ND2-O 3.16Å; L68-G72 PolarHBondContact O-N 3.07Å; V69-G72 PolarHBondContact O-N 3.09Å; V69-G72 VanDerWaalsContact O-N 3.13Å; K70-G72 VanDerWaalsContact C-N 3.28Å; G72-D74 PolarHBondContact O-N 3.3Å
73A86.3Confident86.3Confident10 Ų1066.9 Ų66.98%0.08333%0.328CS..  trans-66.1128.9173.400000111.1V42 N43 L53 L68 I75V42-A73 HydrophobicContact CG2-CB 3.61Å; V42-A73 VanDerWaalsContact CG2-N 3.33Å; N43-A73 WeakPolarHBondContact OD1-CA 3.43Å; L53-A73 HydrophobicContact CB-CB 4.44Å; L53-A73 HydrophobicContact CD1-CB 4.47Å; L53-A73 HydrophobicContact CD2-CB 4.41Å; L68-A73 VanDerWaalsContact C-CB 3.41Å; L68-A73 HydrophobicContact CB-CB 3.91Å; L68-A73 WeakPolarHBondContact O-CB 3.49Å; L68-A73 PolarHBondContact O-N 3.09Å; A73-I75 PolarHBondContact O-N 3.11Å
74D86.7Confident86.3Confident68 Ų6862.4 Ų62.436%0.36431%0.308SS..  trans-79.6107.7177-170.6-10.2000109.7N43 G72 R76 L77N43-D74 PolarHBondContact OD1-N 2.98Å; G72-D74 PolarHBondContact O-N 3.3Å; D74-R76 PolarHBondContact O-N 3.41Å; D74-R76 WeakPolarHBondContact OD1-CA 3.49Å; D74-R76 VanDerWaalsContact OD1-CB 3.31Å; D74-R76 WeakPolarHBondContact OD1-CB 3.38Å; D74-R76 PolarHBondContact OD1-N 3.49Å; D74-L77 HydrophobicContact CB-CB 4.24Å; D74-L77 WeakPolarHBondContact O-CB 3.47Å; D74-L77 PolarHBondContact O-N 2.78Å
75I87.1Confident86.5Confident26 Ų2662.4 Ų62.413%0.13331%0.309CS..THydrogen-bonded Turntrans-69.1-15.717864.1174.5000113.4L53 V69 A73 L101 K104 A105L53-I75 HydrophobicContact CD2-CB 4.3Å; L53-I75 HydrophobicContact CD2-CG2 3.97Å; V69-I75 HydrophobicContact CG2-CG2 3.57Å; A73-I75 PolarHBondContact O-N 3.11Å; I75-L101 HydrophobicContact CB-CD2 4.01Å; I75-L101 HydrophobicContact CG2-CD2 3.61Å; I75-K104 HydrophobicContact CD1-CB 4.02Å; I75-A105 HydrophobicContact CD1-CB 3.79Å
76R84.3Confident86.6Confident208 Ų20865.5 Ų65.579%0.78533%0.325SS*.THydrogen-bonded Turntrans-93.2-10.8-179.2-57.2179.763.5-166.9-2.7112.5D74 A78D74-R76 PolarHBondContact O-N 3.41Å; D74-R76 WeakPolarHBondContact OD1-CA 3.49Å; D74-R76 VanDerWaalsContact OD1-CB 3.31Å; D74-R76 WeakPolarHBondContact OD1-CB 3.38Å; D74-R76 PolarHBondContact OD1-N 3.49Å; R76-A78 PolarHBondContact O-N 3.11Å
77L86.3Confident86.7Confident43 Ų4367.1 Ų67.123%0.22533%0.333CS..  trans-63.5130.7179.6-160.780.6000109.5N43 F45 T51 H54 D74N43-L77 HydrophobicContact CB-CD2 4.31Å; F45-L77 HydrophobicContact CE1-CD2 3.84Å; F45-L77 HydrophobicContact CE1-CG 4.37Å; F45-L77 HydrophobicContact CE2-CD2 4.09Å; F45-L77 HydrophobicContact CZ-CD1 4.22Å; F45-L77 HydrophobicContact CZ-CD2 3.47Å; F45-L77 VanDerWaalsContact CZ-CD2 3.47Å; F45-L77 HydrophobicContact CZ-CG 3.83Å; T51-L77 HydrophobicContact CG2-CD2 3.41Å; T51-L77 VanDerWaalsContact CG2-CD2 3.41Å; H54-L77 PolarHBondContact CE1-O 3.21Å; H54-L77 PolarHBondContact NE2-O 3.44Å; D74-L77 HydrophobicContact CB-CB 4.24Å; D74-L77 WeakPolarHBondContact O-CB 3.47Å; D74-L77 PolarHBondContact O-N 2.78Å
78A88.1Confident86.9Confident43 Ų4367.3 Ų67.336%0.35533%0.334SS..BIsolated β-bridgetrans-91.2141.4173.600000110.2F45 R76 W83F45-A78 WeakPolarHBondContact CE1-O 3.43Å; R76-A78 PolarHBondContact O-N 3.11Å; A78-W83 CarbonylContact C-O 3.59Å; A78-W83 WeakPolarHBondContact CA-O 3.37Å
79N86.6Confident87.2Confident10 Ų1067.3 Ų67.35%0.05333%0.334CS..  trans-67.8178168.377.3-1.9000111.1G49 Q50 H54 E81 G82 W83G49-N79 WeakPolarHBondContact O-CB 3.36Å; Q50-N79 HydrophobicContact CG-CB 4.46Å; H54-N79 PolarHBondContact NE2-N 3.42Å; N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 VanDerWaalsContact O-N 3.11Å; N79-E81 WeakPolarHBondContact OD1-CA 3.47Å; N79-E81 WeakPolarHBondContact OD1-CB 3.21Å; N79-E81 PolarHBondContact OD1-N 3.04Å; N79-G82 PolarHBondContact O-N 3.2Å; N79-G82 PolarHBondContact OD1-N 3.39Å; N79-G82 VanDerWaalsContact OD1-N 3.15Å; N79-W83 PolarHBondContact N-O 3.15Å; N79-W83 WeakPolarHBondContact OD1-CA 3.34Å; N79-W83 WeakPolarHBondContact OD1-CB 3.36Å; N79-W83 PolarHBondContact OD1-N 2.96Å; N79-W83 PolarHBondContact OD1-O 2.72Å
80R85.6Confident87.4Confident192 Ų19269.3 Ų69.373%0.72535%0.353SS*.THydrogen-bonded Turntrans-58.2-23.1178.2-77.6-171.5-171.6-171.81.9114.8G49 G82G49-R80 VanDerWaalsContact CA-CD 3.47Å; G49-R80 PolarHBondContact O-N 3.3Å; R80-G82 VanDerWaalsContact C-N 3.31Å
81E85.3Confident87.7Confident145 Ų14568.9 Ų68.968%0.67835%0.351SS*.THydrogen-bonded Turntrans-88.30.5177.9-59.3-174.796.400112.6N79 W83N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 VanDerWaalsContact O-N 3.11Å; N79-E81 WeakPolarHBondContact OD1-CA 3.47Å; N79-E81 WeakPolarHBondContact OD1-CB 3.21Å; N79-E81 PolarHBondContact OD1-N 3.04Å; E81-W83 VanDerWaalsContact C-N 3.34Å
82G87.6Confident88.1Confident47 Ų4767.4 Ų67.449%0.48536%0.357SS..SBendtrans8211-176.800000113.8N79 R80N79-G82 PolarHBondContact O-N 3.2Å; N79-G82 PolarHBondContact OD1-N 3.39Å; N79-G82 VanDerWaalsContact OD1-N 3.15Å; R80-G82 VanDerWaalsContact C-N 3.31Å
83W89.3Confident88.5Confident103 Ų10367.5 Ų67.539%0.3936%0.357SS..  trans-91.8127.4-179.5-70.841.1000110.2H54 A78 N79 E81 H87 I88 F91H54-W83 PolarHBondContact NE2-O 3.42Å; H54-W83 VanDerWaalsContact NE2-O 3.14Å; A78-W83 CarbonylContact C-O 3.59Å; A78-W83 WeakPolarHBondContact CA-O 3.37Å; N79-W83 PolarHBondContact N-O 3.15Å; N79-W83 WeakPolarHBondContact OD1-CA 3.34Å; N79-W83 WeakPolarHBondContact OD1-CB 3.36Å; N79-W83 PolarHBondContact OD1-N 2.96Å; N79-W83 PolarHBondContact OD1-O 2.72Å; E81-W83 VanDerWaalsContact C-N 3.34Å; W83-H87 HydrophobicContact CB-CB 4.22Å; W83-H87 HydrophobicContact CD2-CB 4.35Å; W83-H87 HydrophobicContact CE3-CB 4.14Å; W83-H87 HydrophobicContact CG-CB 4.41Å; W83-I88 HydrophobicContact CB-CG1 4.33Å; W83-I88 HydrophobicContact CE3-CG1 4.1Å; W83-F91 HydrophobicContact CH2-CD2 4.14Å; W83-F91 HydrophobicContact CH2-CG 4.28Å; W83-F91 HydrophobicContact CZ3-CB 3.97Å; W83-F91 HydrophobicContact CZ3-CD1 4.41Å; W83-F91 HydrophobicContact CZ3-CD2 4.28Å; W83-F91 AromaticContact CZ3-CG 3.96Å; W83-F91 HydrophobicContact CZ3-CG 3.96Å
84S90.3Very high88.7Confident18 Ų1869.8 Ų69.813%0.12637%0.366CS..BIsolated β-bridgetrans-82.2165.1170.867.40000110.6L86 H87 I88S84-L86 PolarHBondContact O-N 3.03Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.03Å; S84-H87 PolarHBondContact N-ND1 2.71Å; S84-H87 WeakPolarHBondContact O-CB 3.45Å; S84-H87 PolarHBondContact O-N 3.23Å; S84-H87 PolarHBondContact OG-N 3.24Å; S84-H87 PolarHBondContact OG-ND1 3.44Å; S84-I88 PolarHBondContact O-N 2.87Å
85A89.3Confident89Confident1 Ų174.2 Ų74.21%0.00838%0.384CS..Hα-helixtrans-50-36.1169.400000112.5L53 V57 A89 L101L53-A85 HydrophobicContact CD2-CB 3.78Å; L53-A85 HydrophobicContact CG-CB 4.07Å; V57-A85 WeakPolarHBondContact CG1-O 3.4Å; V57-A85 HydrophobicContact CG2-CB 4.18Å; A85-A89 WeakPolarHBondContact O-CB 3.34Å; A85-A89 PolarHBondContact O-N 3.21Å; A85-L101 HydrophobicContact CB-CD1 3.93Å; A85-L101 HydrophobicContact CB-CD2 4.49Å
86L90.6Very high89.3Confident64 Ų6478.5 Ų78.534%0.33541%0.408SS..Hα-helixtrans-69.4-38.8178.2-171.265.8000112.7S84 I88 A89 A90 V98 L101 I102S84-L86 PolarHBondContact O-N 3.03Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.03Å; L86-I88 VanDerWaalsContact C-N 3.35Å; L86-A89 PolarHBondContact O-N 3.17Å; L86-A90 WeakPolarHBondContact O-CB 3.31Å; L86-A90 PolarHBondContact O-N 3.05Å; L86-V98 HydrophobicContact CD1-CB 4.44Å; L86-V98 HydrophobicContact CD1-CG1 3.99Å; L86-V98 HydrophobicContact CD1-CG2 4.49Å; L86-L101 HydrophobicContact CD1-CB 4.21Å; L86-L101 HydrophobicContact CD1-CD1 4.5Å; L86-I102 HydrophobicContact CD1-CD1 4.32Å; L86-I102 HydrophobicContact CD1-CG1 3.88Å; L86-I102 HydrophobicContact CD2-CG1 4.36Å
87H90.6Very high89.7Confident103 Ų10368.7 Ų68.748%0.47737%0.371SS..Hα-helixtrans-61.4-45.6176-64.8148.5000110.9W83 S84 A90 F91W83-H87 HydrophobicContact CB-CB 4.22Å; W83-H87 HydrophobicContact CD2-CB 4.35Å; W83-H87 HydrophobicContact CE3-CB 4.14Å; W83-H87 HydrophobicContact CG-CB 4.41Å; S84-H87 PolarHBondContact N-ND1 2.71Å; S84-H87 WeakPolarHBondContact O-CB 3.45Å; S84-H87 PolarHBondContact O-N 3.23Å; S84-H87 PolarHBondContact OG-N 3.24Å; S84-H87 PolarHBondContact OG-ND1 3.44Å; H87-A90 PolarHBondContact O-N 3.48Å; H87-F91 WeakPolarHBondContact O-CB 3.31Å; H87-F91 PolarHBondContact O-N 2.99Å
88I90.8Very high89.9Confident15 Ų1568.2 Ų68.28%0.07737%0.37CS..Hα-helixtrans-64.2-46.3178.1-57.6-178.4000110.8H54 V57 I58 W83 S84 L86 A90 F91 G92H54-I88 HydrophobicContact CB-CD1 3.87Å; V57-I88 HydrophobicContact CB-CG2 4.37Å; V57-I88 HydrophobicContact CG1-CB 3.92Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; I58-I88 HydrophobicContact CB-CG2 4.45Å; I58-I88 HydrophobicContact CD1-CD1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 4.23Å; I58-I88 HydrophobicContact CG1-CG2 3.52Å; W83-I88 HydrophobicContact CB-CG1 4.33Å; W83-I88 HydrophobicContact CE3-CG1 4.1Å; S84-I88 PolarHBondContact O-N 2.87Å; L86-I88 VanDerWaalsContact C-N 3.35Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.33Å; I88-F91 PolarHBondContact O-N 2.94Å; I88-G92 PolarHBondContact O-N 3.06Å
89A91.6Very high90.1Very high0 Ų071.5 Ų71.50%038%0.381CS..Hα-helixtrans-60.9-40.1-179.400000112V57 A85 L86 G93 H94 I97 V98 L101V57-A89 VanDerWaalsContact CG1-CA 3.46Å; V57-A89 HydrophobicContact CG1-CB 3.51Å; V57-A89 VanDerWaalsContact CG1-N 3.31Å; A85-A89 WeakPolarHBondContact O-CB 3.34Å; A85-A89 PolarHBondContact O-N 3.21Å; L86-A89 PolarHBondContact O-N 3.17Å; A89-G93 PolarHBondContact O-N 2.96Å; A89-H94 PolarHBondContact O-N 3.27Å; A89-I97 HydrophobicContact CB-CB 4.31Å; A89-I97 HydrophobicContact CB-CG2 3.84Å; A89-V98 HydrophobicContact CB-CG2 3.53Å; A89-L101 HydrophobicContact CB-CD1 4.22Å
90A91.3Very high90.3Very high64 Ų6473.4 Ų73.453%0.52939%0.387SS..Hα-helixtrans-68-41.4176.300000111.9L86 H87 I88 G93 V98L86-A90 WeakPolarHBondContact O-CB 3.31Å; L86-A90 PolarHBondContact O-N 3.05Å; H87-A90 PolarHBondContact O-N 3.48Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.33Å; A90-G93 PolarHBondContact O-N 2.8Å; A90-V98 HydrophobicContact CB-CG2 4.48Å
91F91.8Very high90.4Very high165 Ų16564.5 Ų64.572%0.72435%0.354SS*.Hα-helixtrans-64.7-42.2177.2-176.6-98.1000112.4W83 H87 I88 G93W83-F91 HydrophobicContact CH2-CD2 4.14Å; W83-F91 HydrophobicContact CH2-CG 4.28Å; W83-F91 HydrophobicContact CZ3-CB 3.97Å; W83-F91 HydrophobicContact CZ3-CD1 4.41Å; W83-F91 HydrophobicContact CZ3-CD2 4.28Å; W83-F91 AromaticContact CZ3-CG 3.96Å; W83-F91 HydrophobicContact CZ3-CG 3.96Å; H87-F91 WeakPolarHBondContact O-CB 3.31Å; H87-F91 PolarHBondContact O-N 2.99Å; I88-F91 PolarHBondContact O-N 2.94Å; F91-G93 PolarHBondContact O-N 2.92Å
92G88Confident90.5Very high41 Ų4160.8 Ų60.842%0.42334%0.338SS..THydrogen-bonded Turntrans-75.7-6.117700000114.7I88 H94I88-G92 PolarHBondContact O-N 3.06Å; G92-H94 VanDerWaalsContact C-N 3.26Å; G92-H94 PolarHBondContact O-N 3.31Å
93G90.7Very high90.5Very high51 Ų5161.3 Ų61.353%0.52633%0.332SS..THydrogen-bonded Turntrans70.618.3-178.100000114.3A89 A90 F91 Q95A89-G93 PolarHBondContact O-N 2.96Å; A90-G93 PolarHBondContact O-N 2.8Å; F91-G93 PolarHBondContact O-N 2.92Å; G93-Q95 VanDerWaalsContact C-N 3.3Å; G93-Q95 PolarHBondContact O-N 3.34Å
94H91.9Very high90.3Very high58 Ų5861.1 Ų61.127%0.26933%0.334SS..  trans-79.274.8-178.4-58.6-48.4000111.5V57 A89 G92 D96 I97 V98V57-H94 PolarHBondContact O-CD2 3.42Å; V57-H94 PolarHBondContact O-NE2 3.33Å; A89-H94 PolarHBondContact O-N 3.27Å; G92-H94 VanDerWaalsContact C-N 3.26Å; G92-H94 PolarHBondContact O-N 3.31Å; H94-D96 VanDerWaalsContact C-N 3.29Å; H94-D96 PolarHBondContact O-N 3.13Å; H94-I97 HydrophobicContact CB-CB 4Å; H94-I97 HydrophobicContact CB-CD1 3.85Å; H94-I97 HydrophobicContact CB-CG1 4.08Å; H94-I97 PolarHBondContact O-N 3.28Å; H94-V98 WeakPolarHBondContact O-CG2 3.48Å; H94-V98 PolarHBondContact O-N 3.22Å
95Q92.1Very high89.4Confident161 Ų16162.6 Ų62.675%0.75235%0.348SS*.Hα-helixtrans-53.7-41.6-174.4-67.2-177.10.200113.3G93 I97 V98 L99G93-Q95 VanDerWaalsContact C-N 3.3Å; G93-Q95 PolarHBondContact O-N 3.34Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 2.99Å; Q95-V98 PolarHBondContact O-N 2.8Å; Q95-L99 WeakPolarHBondContact O-CB 3.44Å; Q95-L99 PolarHBondContact O-N 3.36Å
96D93.1Very high88Confident116 Ų11669.9 Ų69.962%0.6238%0.379SS*.Hα-helixtrans-64.3-38.6179.9-60.9-37000112.3L62 H94 Y100L62-D96 HydrophobicContact CD2-CB 4.03Å; H94-D96 VanDerWaalsContact C-N 3.29Å; H94-D96 PolarHBondContact O-N 3.13Å; D96-Y100 WeakPolarHBondContact O-CB 3.47Å; D96-Y100 PolarHBondContact O-N 2.92Å
97I93Very high86.2Confident3 Ų375.8 Ų75.82%0.01540%0.398CS..Hα-helixtrans-70.1-44.5177.4-62.6179.7000110V57 L62 V65 A89 H94 Q95 L99 Y100 L101V57-I97 HydrophobicContact CG1-CG2 4.19Å; V57-I97 HydrophobicContact CG2-CG2 3.93Å; L62-I97 HydrophobicContact CB-CG1 4.15Å; L62-I97 HydrophobicContact CD1-CG1 3.99Å; V65-I97 HydrophobicContact CG1-CG2 4.34Å; V65-I97 HydrophobicContact CG2-CD1 4.2Å; V65-I97 HydrophobicContact CG2-CG2 4.12Å; A89-I97 HydrophobicContact CB-CB 4.31Å; A89-I97 HydrophobicContact CB-CG2 3.84Å; H94-I97 HydrophobicContact CB-CB 4Å; H94-I97 HydrophobicContact CB-CD1 3.85Å; H94-I97 HydrophobicContact CB-CG1 4.08Å; H94-I97 PolarHBondContact O-N 3.28Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 2.99Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 2.95Å; I97-Y100 PolarHBondContact O-N 2.96Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.18Å; I97-L101 WeakPolarHBondContact O-CB 3.37Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.44Å; I97-L101 PolarHBondContact O-N 3.48Å
98V91.6Very high84.3Confident32 Ų3275.8 Ų75.819%0.19441%0.41CS..Hα-helixtrans-55.6-49174.9170.90000110.4L86 A89 A90 H94 Q95 Y100 L101 I102L86-V98 HydrophobicContact CD1-CB 4.44Å; L86-V98 HydrophobicContact CD1-CG1 3.99Å; L86-V98 HydrophobicContact CD1-CG2 4.49Å; A89-V98 HydrophobicContact CB-CG2 3.53Å; A90-V98 HydrophobicContact CB-CG2 4.48Å; H94-V98 WeakPolarHBondContact O-CG2 3.48Å; H94-V98 PolarHBondContact O-N 3.22Å; Q95-V98 PolarHBondContact O-N 2.8Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.13Å; V98-L101 PolarHBondContact O-N 3.03Å; V98-I102 HydrophobicContact CG1-CD1 3.63Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.37Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.43Å; V98-I102 PolarHBondContact O-N 3.12Å
99L91Very high82.3Confident113 Ų11379.6 Ų79.659%0.59244%0.438SS*.Hα-helixtrans-60.3-44.5179.2-176.164.7000111.3Q95 I97 T103Q95-L99 WeakPolarHBondContact O-CB 3.44Å; Q95-L99 PolarHBondContact O-N 3.36Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 2.95Å; L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.35Å; L99-T103 PolarHBondContact O-OG1 2.99Å
100Y91.1Very high80.3Confident49 Ų4983.1 Ų83.119%0.19247%0.474CS..Hα-helixtrans-62.5-47.5178.1-176.8-99000112.5L62 V65 K66 V69 D96 I97 V98 T103 K104L62-Y100 HydrophobicContact CD1-CG 4.32Å; V65-Y100 HydrophobicContact CG1-CD1 3.92Å; V65-Y100 HydrophobicContact CG1-CE1 4.2Å; K66-Y100 HydrophobicContact CG-CD1 4.47Å; K66-Y100 HydrophobicContact CG-CD2 4.13Å; K66-Y100 HydrophobicContact CG-CE1 4.06Å; K66-Y100 HydrophobicContact CG-CE2 3.69Å; K66-Y100 HydrophobicContact CG-CG 4.5Å; V69-Y100 HydrophobicContact CB-CE1 4.14Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.13Å; D96-Y100 WeakPolarHBondContact O-CB 3.47Å; D96-Y100 PolarHBondContact O-N 2.92Å; I97-Y100 PolarHBondContact O-N 2.96Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.13Å; Y100-T103 WeakPolarHBondContact O-CB 3.44Å; Y100-T103 PolarHBondContact O-N 2.89Å; Y100-K104 HydrophobicContact CE1-CG 4.03Å; Y100-K104 HydrophobicContact CE2-CG 4.4Å; Y100-K104 PolarHBondContact O-N 3.03Å; Y100-K104 WeakPolarHBondContact OH-CE 3.17Å
101L87.9Confident78Confident6 Ų684.8 Ų84.83%0.03149%0.488CS..Hα-helixtrans-63.3-45-179.8-69.3175.1000111.6V57 V65 I75 A85 L86 A89 I97 V98 T103 K104 A105V57-L101 HydrophobicContact CG2-CD1 4.47Å; V65-L101 HydrophobicContact CG1-CD2 4.11Å; I75-L101 HydrophobicContact CB-CD2 4.01Å; I75-L101 HydrophobicContact CG2-CD2 3.61Å; A85-L101 HydrophobicContact CB-CD1 3.93Å; A85-L101 HydrophobicContact CB-CD2 4.49Å; L86-L101 HydrophobicContact CD1-CB 4.21Å; L86-L101 HydrophobicContact CD1-CD1 4.5Å; A89-L101 HydrophobicContact CB-CD1 4.22Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.18Å; I97-L101 WeakPolarHBondContact O-CB 3.37Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.44Å; I97-L101 PolarHBondContact O-N 3.48Å; V98-L101 PolarHBondContact O-N 3.03Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; L101-K104 PolarHBondContact O-N 3.16Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.4Å
102I87.3Confident75.8Confident66 Ų6692 Ų9234%0.33851%0.51SS..Hα-helixtrans-62.1-43176.5-68.4170.3000110.8L86 V98 K104 A105 K106L86-I102 HydrophobicContact CD1-CD1 4.32Å; L86-I102 HydrophobicContact CD1-CG1 3.88Å; L86-I102 HydrophobicContact CD2-CG1 4.36Å; V98-I102 HydrophobicContact CG1-CD1 3.63Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.37Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.43Å; V98-I102 PolarHBondContact O-N 3.12Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.39Å; I102-A105 PolarHBondContact O-N 3.08Å; I102-K106 HydrophobicContact CG2-CD 4.4Å; I102-K106 WeakPolarHBondContact O-CG 3.22Å; I102-K106 PolarHBondContact O-N 2.95Å; I102-K106 VanDerWaalsContact O-N 3.15Å
103T87.9Confident75.2Confident59 Ų5994.6 Ų94.636%0.36252%0.515SS..Hα-helixtrans-59.1-48.3178.1-60.50000109.9L99 Y100 L101 A105 K106 Y107L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.35Å; L99-T103 PolarHBondContact O-OG1 2.99Å; Y100-T103 WeakPolarHBondContact O-CB 3.44Å; Y100-T103 PolarHBondContact O-N 2.89Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; T103-A105 PolarHBondContact O-N 3.09Å; T103-K106 PolarHBondContact O-N 2.99Å; T103-Y107 HydrophobicContact CG2-CD2 4.28Å; T103-Y107 HydrophobicContact CG2-CE2 3.68Å; T103-Y107 WeakPolarHBondContact O-CD2 3.36Å; T103-Y107 WeakPolarHBondContact O-CE2 3.08Å
104K83.8Confident74.4Confident98 Ų9896.8 Ų96.843%0.42651%0.514SS..Hα-helixtrans-66.2-36.8178.2-75.4-70.6-176.3179.60113.6V69 I75 Y100 L101 I102 K106 Y107V69-K104 HydrophobicContact CG1-CD 4.26Å; V69-K104 HydrophobicContact CG1-CG 4.19Å; I75-K104 HydrophobicContact CD1-CB 4.02Å; Y100-K104 HydrophobicContact CE1-CG 4.03Å; Y100-K104 HydrophobicContact CE2-CG 4.4Å; Y100-K104 PolarHBondContact O-N 3.03Å; Y100-K104 WeakPolarHBondContact OH-CE 3.17Å; L101-K104 PolarHBondContact O-N 3.16Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.39Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.46Å; K104-Y107 PolarHBondContact O-N 3.39Å
105A72.4Confident73.4Confident50 Ų5099 Ų9941%0.41353%0.528SS..Hα-helixtrans-63.3-37.8177.900000112.9I75 L101 I102 T103 Y107 S108I75-A105 HydrophobicContact CD1-CB 3.79Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.4Å; I102-A105 PolarHBondContact O-N 3.08Å; T103-A105 PolarHBondContact O-N 3.09Å; A105-Y107 PolarHBondContact O-N 3.22Å; A105-S108 PolarHBondContact O-N 3.09Å
106K59Low72.3Confident153 Ų15395.4 Ų95.467%0.66552%0.515SS*.Hα-helixtrans-70.2-26.2-178.1-75.4-175.6175.5-1770114.5I102 T103 K104 S109I102-K106 HydrophobicContact CG2-CD 4.4Å; I102-K106 WeakPolarHBondContact O-CG 3.22Å; I102-K106 PolarHBondContact O-N 2.95Å; I102-K106 VanDerWaalsContact O-N 3.15Å; T103-K106 PolarHBondContact O-N 2.99Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.46Å; K106-S109 PolarHBondContact O-OG 3.07Å; K106-S109 VanDerWaalsContact O-OG 3.06Å
107Y53.6Low71Confident189 Ų18994.1 Ų94.174%0.74151%0.508SS*.Hα-helixtrans-85.7-9.5-180-67.1-69.1000113.7T103 K104 A105T103-Y107 HydrophobicContact CG2-CD2 4.28Å; T103-Y107 HydrophobicContact CG2-CE2 3.68Å; T103-Y107 WeakPolarHBondContact O-CD2 3.36Å; T103-Y107 WeakPolarHBondContact O-CE2 3.08Å; K104-Y107 PolarHBondContact O-N 3.39Å; A105-Y107 PolarHBondContact O-N 3.22Å
108S50.5Low69.5Low102 Ų102100.1 Ų100.171%0.71354%0.541SS*.G310 helixtrans-85.8-11.3178-162.70000113.8A105 G110A105-S108 PolarHBondContact O-N 3.09Å; S108-G110 VanDerWaalsContact C-N 3.27Å; S108-G110 PolarHBondContact O-N 2.96Å
109S49.2Very low68Low95 Ų95105 Ų10566%0.66457%0.566SS**G310 helixtrans-86.919.8179.353.60000114.5K106K106-S109 PolarHBondContact O-OG 3.07Å; K106-S109 VanDerWaalsContact O-OG 3.06Å
110G48.3Very low66.2Low75 Ų75104.4 Ų104.477%0.77356%0.564SS**G310 helixtrans-91.1-2.2177.600000115.5S108S108-G110 VanDerWaalsContact C-N 3.27Å; S108-G110 PolarHBondContact O-N 2.96Å
111A44.2Very low64.1Low98 Ų98109 Ų10981%0.8160%0.595SS**  trans-102.592.2174.600000109.3
112R45.2Very low61.9Low317 Ų317118.4 Ų118.4100%1.19665%0.646SS**  trans-94.40160-88.8-177.4170.9159.1-2.6108.8

Retrieved 112 of 112 residues in 511.1 ms (Link to these results)