A0A087X3Y5_POEFO Loading...

ZRAB1B, member RAS oncogene family a

AlphaFold DB , UniProt , Accession A0A087X3Y5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1N37.8Very low57.4Low215 Ų215135.2 Ų135.2100%1.1571%0.713SS**  0112.30-74.7-2.1000109.6Q3N1-Q3 PolarHBondContact O-N 2.96Å
2Q40.7Very low60.4Low196 Ų196125.2 Ų125.292%0.91666%0.658SS**  trans-59.1125.1-176.3-72.2162.22.600110.2A4Q2-A4 PolarHBondContact O-N 2.71Å; Q2-A4 VanDerWaalsContact O-N 3.07Å
3Q41.1Very low63Low185 Ų185119.4 Ų119.486%0.86463%0.628SS**  trans-63.1105.6158.8-88.1171.5-10.800106.4N1 T5N1-Q3 PolarHBondContact O-N 2.96Å; Q3-T5 VanDerWaalsContact C-N 3.26Å; Q3-T5 PolarHBondContact O-N 3.39Å
4A43.1Very low65.4Low89 Ų89110.9 Ų110.974%0.73658%0.583SS**  trans-6296.6163.800000106.8Q2 M6Q2-A4 PolarHBondContact O-N 2.71Å; Q2-A4 VanDerWaalsContact O-N 3.07Å; A4-M6 PolarHBondContact O-N 3.31Å
5T45.3Very low67.4Low122 Ų122105.8 Ų105.875%0.74855%0.554SS**  trans-54.3107.1159.940.50000105.6Q3 N7Q3-T5 VanDerWaalsContact C-N 3.26Å; Q3-T5 PolarHBondContact O-N 3.39Å; T5-N7 PolarHBondContact O-N 3.23Å
6M45.3Very low69.2Low181 Ų18199.2 Ų99.289%0.89252%0.519SS*.  trans-60.596.1172.6-72.8-155.117000106.9A4 P8A4-M6 PolarHBondContact O-N 3.31Å; M6-P8 WeakPolarHBondContact O-CD 3.33Å
7N51.1Low70.8Confident143 Ų14393.4 Ų93.477%0.76549%0.489SS*.  trans-57.3123.6170.2-111.4-4.4000105.8T5 E9T5-N7 PolarHBondContact O-N 3.23Å; N7-E9 PolarHBondContact O-N 3.27Å
8P64.6Low72.2Confident64 Ų6488.2 Ų88.242%0.41646%0.462SS..  trans-57.1133173.720.8-27.5000108M6 Y10 A184M6-P8 WeakPolarHBondContact O-CD 3.33Å; P8-Y10 HydrophobicContact CB-CE1 4.28Å; P8-Y10 HydrophobicContact CB-CE2 4.4Å; P8-Y10 PolarHBondContact O-N 3.47Å; P8-A184 HydrophobicContact CG-CB 4.37Å
9E82.9Confident73.4Confident184 Ų18483.6 Ų83.686%0.8644%0.438SS*.SBendtrans-63.18.1179.6-159.7179.4-179.100113.1N7N7-E9 PolarHBondContact O-N 3.27Å
10Y88.6Confident74.4Confident60 Ų6079.4 Ų79.424%0.23542%0.416CS..SBendtrans-148.7145.8-176.557.1-92.5000110.1P8 Y12 L13 T61 K63P8-Y10 HydrophobicContact CB-CE1 4.28Å; P8-Y10 HydrophobicContact CB-CE2 4.4Å; P8-Y10 PolarHBondContact O-N 3.47Å; Y10-Y12 VanDerWaalsContact CD2-O 3.25Å; Y10-Y12 WeakPolarHBondContact CD2-O 3.41Å; Y10-L13 HydrophobicContact CD2-CB 4.28Å; Y10-L13 HydrophobicContact CE2-CB 3.67Å; Y10-T61 CarbonylContact C-O 3.6Å; Y10-K63 HydrophobicContact CD1-CB 4.18Å; Y10-K63 HydrophobicContact CD1-CD 3.76Å; Y10-K63 HydrophobicContact CD2-CB 4.22Å; Y10-K63 HydrophobicContact CE1-CD 3.81Å; Y10-K63 HydrophobicContact CG-CB 3.9Å; Y10-K63 HydrophobicContact CG-CD 4.34Å
11D90.9Very high75.3Confident48 Ų4876.6 Ų76.626%0.25740%0.401SS..SBendtrans-75.1-35.3175-64.5-92.5000111.9K60 T61D11-K60 HydrophobicContact CB-CB 4.28Å; D11-K60 HydrophobicContact CB-CD 3.87Å; D11-K60 VanDerWaalsContact OD1-CD 3.24Å; D11-K60 WeakPolarHBondContact OD1-CD 3.49Å; D11-K60 IonicContact OD1-NZ 3.88Å; D11-K60 PolarHBondContact OD1-NZ 3.1Å; D11-K60 WeakPolarHBondContact OD2-CA 3.38Å; D11-K60 WeakPolarHBondContact OD2-CD 3.33Å; D11-T61 PolarHBondContact N-O 2.81Å; D11-T61 PolarHBondContact OD2-N 2.83Å
12Y93.1Very high77.8Confident15 Ų1568.6 Ų68.66%0.05936%0.362CS..EExtended strand (participates in β ladder)trans-137.9146.3-173.4-63-76.6000112.7Y10 F14 K60 T61 I62 K63 M178 A182Y10-Y12 VanDerWaalsContact CD2-O 3.25Å; Y10-Y12 WeakPolarHBondContact CD2-O 3.41Å; Y12-F14 VanDerWaalsContact CB-CE1 3.5Å; Y12-F14 AromaticContact CD1-CE1 3.97Å; Y12-F14 HydrophobicContact CD1-CE1 3.97Å; Y12-F14 HydrophobicContact CD1-CZ 4.25Å; Y12-F14 AromaticContact CG-CE1 3.93Å; Y12-F14 HydrophobicContact CG-CE1 3.93Å; Y12-F14 AromaticContact CG-CZ 3.99Å; Y12-F14 HydrophobicContact CG-CZ 3.99Å; Y12-K60 HydrophobicContact CD2-CB 4.17Å; Y12-K60 HydrophobicContact CE2-CB 4Å; Y12-K60 HydrophobicContact CE2-CD 4.15Å; Y12-K60 HydrophobicContact CE2-CG 3.97Å; Y12-T61 PolarHBondContact N-O 2.63Å; Y12-I62 HydrophobicContact CD2-CD1 4.47Å; Y12-I62 HydrophobicContact CD2-CG1 4.09Å; Y12-K63 PolarHBondContact O-N 3.19Å; Y12-M178 HydrophobicContact CD1-CE 4.29Å; Y12-A182 WeakPolarHBondContact CE1-O 3.46Å
13L94.6Very high80.3Confident50 Ų5060.6 Ų60.626%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-122.3113.1171.7-18068.2000109.2Y10 K63 Q65Y10-L13 HydrophobicContact CD2-CB 4.28Å; Y10-L13 HydrophobicContact CE2-CB 3.67Å; L13-K63 CarbonylContact C-O 3.44Å; L13-K63 WeakPolarHBondContact CA-O 3.13Å; L13-K63 HydrophobicContact CD1-CB 3.84Å; L13-K63 HydrophobicContact CD1-CD 4.06Å; L13-K63 HydrophobicContact CD1-CG 3.84Å; L13-Q65 HydrophobicContact CD1-CG 3.76Å
14F96Very high82.8Confident0 Ų051.9 Ų51.90%029%0.291CS..EExtended strand (participates in β ladder)trans-111.1129.3178.2-57.6-18.5000111Y12 L16 I62 K63 L64 Q65 H87 A171 I174 K175 M178Y12-F14 VanDerWaalsContact CB-CE1 3.5Å; Y12-F14 AromaticContact CD1-CE1 3.97Å; Y12-F14 HydrophobicContact CD1-CE1 3.97Å; Y12-F14 HydrophobicContact CD1-CZ 4.25Å; Y12-F14 AromaticContact CG-CE1 3.93Å; Y12-F14 HydrophobicContact CG-CE1 3.93Å; Y12-F14 AromaticContact CG-CZ 3.99Å; Y12-F14 HydrophobicContact CG-CZ 3.99Å; F14-L16 HydrophobicContact CB-CD2 4.48Å; F14-I62 HydrophobicContact CD2-CG2 3.55Å; F14-I62 HydrophobicContact CE2-CD1 3.86Å; F14-I62 HydrophobicContact CE2-CG2 3.61Å; F14-I62 HydrophobicContact CG-CG2 4.04Å; F14-I62 HydrophobicContact CZ-CD1 4.22Å; F14-I62 HydrophobicContact CZ-CG2 4.11Å; F14-K63 PolarHBondContact N-O 3.43Å; F14-L64 HydrophobicContact CB-CD2 3.88Å; F14-L64 HydrophobicContact CD2-CD2 3.96Å; F14-L64 HydrophobicContact CG-CD2 4.36Å; F14-Q65 PolarHBondContact O-N 3.28Å; F14-H87 HydrophobicContact CB-CB 4.45Å; F14-A171 HydrophobicContact CD2-CB 4.31Å; F14-A171 HydrophobicContact CE2-CB 4.39Å; F14-A171 WeakPolarHBondContact CE2-O 3.25Å; F14-I174 HydrophobicContact CB-CD1 4.38Å; F14-I174 HydrophobicContact CD1-CG2 3.77Å; F14-I174 HydrophobicContact CD2-CB 4.03Å; F14-I174 HydrophobicContact CD2-CD1 4.21Å; F14-I174 HydrophobicContact CD2-CG2 3.79Å; F14-I174 HydrophobicContact CE1-CG2 3.84Å; F14-I174 HydrophobicContact CE2-CB 3.98Å; F14-I174 HydrophobicContact CE2-CG2 3.79Å; F14-I174 HydrophobicContact CG-CB 4.48Å; F14-I174 HydrophobicContact CG-CD1 4.41Å; F14-I174 HydrophobicContact CG-CG2 3.8Å; F14-I174 HydrophobicContact CZ-CB 4.43Å; F14-I174 HydrophobicContact CZ-CG2 3.84Å; F14-K175 HydrophobicContact CE2-CB 4.23Å; F14-K175 HydrophobicContact CZ-CB 4.05Å; F14-M178 HydrophobicContact CD1-CE 3.7Å; F14-M178 HydrophobicContact CE1-CE 3.04Å; F14-M178 HydrophobicContact CZ-CE 3.83Å
15K95.6Very high85.3Confident35 Ų3548.1 Ų48.115%0.15226%0.262CS..EExtended strand (participates in β ladder)trans-89.6116.1169.7-176.5179.5170.3-170.40109.5Q65 Y82 R84 H87 G88K15-Q65 CarbonylContact C-O 3.6Å; K15-Q65 WeakPolarHBondContact CA-O 3.15Å; K15-Y82 WeakPolarHBondContact CE-O 3.48Å; K15-Y82 PolarHBondContact NZ-O 2.81Å; K15-R84 PolarHBondContact NZ-O 3.07Å; K15-H87 WeakPolarHBondContact CB-ND1 3.3Å; K15-H87 PolarHBondContact N-ND1 3.07Å; K15-H87 PolarHBondContact O-N 3.03Å; K15-G88 PolarHBondContact O-N 2.65Å
16L96.8Very high87.7Confident0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-109.2145.7175.3-54.9-171.9000110.5F14 L64 Q65 I66 W67 G88 F167 M170 I174F14-L16 HydrophobicContact CB-CD2 4.48Å; L16-L64 HydrophobicContact CD1-CD1 4.26Å; L16-L64 HydrophobicContact CD1-CD2 4.24Å; L16-Q65 PolarHBondContact N-O 3.41Å; L16-I66 HydrophobicContact CB-CG1 4.27Å; L16-I66 HydrophobicContact CB-CG2 4.4Å; L16-I66 HydrophobicContact CD1-CG1 4.29Å; L16-W67 PolarHBondContact O-N 3.34Å; L16-G88 WeakPolarHBondContact CA-O 3.15Å; L16-F167 HydrophobicContact CD1-CD1 4.09Å; L16-M170 HydrophobicContact CD1-CG 4.15Å; L16-M170 HydrophobicContact CD2-CG 3.64Å; L16-I174 HydrophobicContact CD2-CD1 3.34Å
17L95.7Very high90Very high0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-124.8131.5175.4-171.467.4000109.8I19 W67 T69 Y83 G88 I89 I90L17-I19 HydrophobicContact CD2-CG2 3.78Å; L17-I19 HydrophobicContact CG-CG2 3.8Å; L17-W67 HydrophobicContact CD1-CB 3.55Å; L17-T69 HydrophobicContact CD1-CG2 3.44Å; L17-T69 VanDerWaalsContact CD1-CG2 3.44Å; L17-T69 HydrophobicContact CG-CG2 4.16Å; L17-Y83 HydrophobicContact CD2-CD1 4Å; L17-Y83 HydrophobicContact CD2-CD2 4.16Å; L17-Y83 HydrophobicContact CD2-CE1 4.2Å; L17-Y83 HydrophobicContact CD2-CE2 4.4Å; L17-Y83 HydrophobicContact CD2-CG 3.98Å; L17-G88 PolarHBondContact N-O 3.42Å; L17-G88 VanDerWaalsContact N-O 3.13Å; L17-I89 HydrophobicContact CB-CG1 4.16Å; L17-I89 HydrophobicContact CB-CG2 4.45Å; L17-I89 CarbonylContact O-C 3.52Å; L17-I89 WeakPolarHBondContact O-CA 3.27Å; L17-I90 PolarHBondContact O-N 3Å
18L95.9Very high92Very high1 Ų130.5 Ų30.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-96.9123.1170.4-55.7-177.3000108.9K26 L30 I66 W67 D68 T69 I90 F167L18-K26 HydrophobicContact CB-CB 4.23Å; L18-K26 HydrophobicContact CB-CD 4.37Å; L18-K26 HydrophobicContact CD1-CB 4.42Å; L18-K26 WeakPolarHBondContact CD1-O 3.12Å; L18-L30 HydrophobicContact CD1-CB 3.95Å; L18-I66 HydrophobicContact CD1-CG2 4.27Å; L18-I66 HydrophobicContact CD2-CG2 4.49Å; L18-I66 HydrophobicContact CG-CG2 4.07Å; L18-W67 PolarHBondContact N-O 3Å; L18-D68 HydrophobicContact CD1-CB 4.45Å; L18-T69 WeakPolarHBondContact O-CG2 3.49Å; L18-T69 PolarHBondContact O-OG1 3.03Å; L18-I90 HydrophobicContact CD2-CB 3.7Å; L18-I90 HydrophobicContact CD2-CD1 3.85Å; L18-I90 HydrophobicContact CD2-CG1 4.15Å; L18-I90 HydrophobicContact CD2-CG2 4.25Å; L18-F167 HydrophobicContact CD1-CZ 4.36Å; L18-F167 HydrophobicContact CD2-CE1 3.97Å; L18-F167 HydrophobicContact CD2-CZ 4.11Å
19I94.7Very high93.5Very high0 Ų027.7 Ų27.70%015%0.152CC..EExtended strand (participates in β ladder)trans-128.9165.3175.770.6172.6000110.9L17 K26 Y83 I89 I90 V91 V92 W107 I111L17-I19 HydrophobicContact CD2-CG2 3.78Å; L17-I19 HydrophobicContact CG-CG2 3.8Å; I19-K26 WeakPolarHBondContact O-CD 3.38Å; I19-Y83 HydrophobicContact CD1-CE1 4.04Å; I19-Y83 HydrophobicContact CG2-CE1 4.3Å; I19-I89 HydrophobicContact CD1-CG2 3.8Å; I19-I89 HydrophobicContact CG1-CG2 3.85Å; I19-I89 HydrophobicContact CG2-CG2 4.25Å; I19-I90 PolarHBondContact N-O 2.8Å; I19-V91 HydrophobicContact CD1-CG2 3.99Å; I19-V91 HydrophobicContact CG1-CB 4.31Å; I19-V91 HydrophobicContact CG1-CG1 4.27Å; I19-V91 HydrophobicContact CG1-CG2 3.93Å; I19-V92 PolarHBondContact O-N 3.11Å; I19-W107 HydrophobicContact CB-CE3 4.08Å; I19-W107 HydrophobicContact CB-CZ3 4.4Å; I19-W107 HydrophobicContact CD1-CB 3.89Å; I19-W107 HydrophobicContact CD1-CD2 4.47Å; I19-W107 HydrophobicContact CD1-CE3 4.02Å; I19-W107 HydrophobicContact CD1-CG 4.47Å; I19-W107 HydrophobicContact CG1-CB 4.46Å; I19-W107 HydrophobicContact CG1-CE3 4.37Å; I19-I111 HydrophobicContact CD1-CD1 3.75Å; I19-I111 HydrophobicContact CD1-CG1 3.72Å
20G94.7Very high94.1Very high0 Ų019 Ų190%011%0.112CC..  trans137.7169.8-173.800000111.6K26 G71 V92 W107G20-K26 PolarHBondContact O-NZ 3.26Å; G20-G71 VanDerWaalsContact O-CA 3.23Å; G20-G71 WeakPolarHBondContact O-CA 2.86Å; G20-V92 WeakPolarHBondContact CA-O 3.14Å; G20-W107 VanDerWaalsContact C-CE2 3.47Å; G20-W107 VanDerWaalsContact O-CZ2 3.31Å; G20-W107 WeakPolarHBondContact O-CZ2 3.12Å
21D93.1Very high94.3Very high21 Ų2118.3 Ų18.311%0.11211%0.112CC..  trans-63.4164.9-174.7-74.3-2000113.1V24 K26 R76 N103 W107D21-V24 HydrophobicContact CB-CG1 3.87Å; D21-V24 VanDerWaalsContact O-CG2 3.24Å; D21-V24 WeakPolarHBondContact O-CG2 3.27Å; D21-K26 PolarHBondContact O-NZ 2.88Å; D21-R76 IonicContact OD1-NH2 3.22Å; D21-N103 WeakPolarHBondContact OD2-CB 3.47Å; D21-N103 PolarHBondContact OD2-ND2 3.46Å; D21-W107 PolarHBondContact OD1-NE1 2.89Å
22S91.1Very high94.5Very high47 Ų4718 Ų1833%0.32911%0.107SC..THydrogen-bonded Turntrans-64.2140.2175-159.30000110V24 Y42 G71S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 3.03Å; S22-Y42 PolarHBondContact OG-OH 3.14Å; S22-G71 PolarHBondContact N-O 3.35Å
23G91.5Very high94.6Very high28 Ų2817.5 Ų17.529%0.28911%0.105SC..THydrogen-bonded Turntrans80.9-6175.900000116.6G25 K127G23-G25 PolarHBondContact O-N 3.13Å; G23-K127 WeakPolarHBondContact O-CE 3.39Å; G23-K127 PolarHBondContact O-NZ 3.39Å
24V95.3Very high94.5Very high1 Ų116.4 Ų16.41%0.00610%0.103CC..SBendtrans-69.5-16178.1-54.60000113.7D21 S22 K26 V92 D94 N126D21-V24 HydrophobicContact CB-CG1 3.87Å; D21-V24 VanDerWaalsContact O-CG2 3.24Å; D21-V24 WeakPolarHBondContact O-CG2 3.27Å; S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 3.03Å; V24-K26 HydrophobicContact CG2-CD 4.37Å; V24-K26 HydrophobicContact CG2-CG 3.72Å; V24-V92 HydrophobicContact CB-CG1 4.38Å; V24-V92 HydrophobicContact CG2-CB 4Å; V24-V92 HydrophobicContact CG2-CG1 3.85Å; V24-D94 HydrophobicContact CB-CB 4.24Å; V24-D94 HydrophobicContact CG1-CB 4.22Å; V24-N126 PolarHBondContact O-ND2 2.98Å
25G94.5Very high94.2Very high11 Ų1119.7 Ų19.711%0.11312%0.121CC..SBendtrans99.626.4173.400000116G23 C28 L29G23-G25 PolarHBondContact O-N 3.13Å; G25-C28 PolarHBondContact O-N 3.19Å; G25-L29 PolarHBondContact O-N 2.98Å
26K95.1Very high94Very high9 Ų923.5 Ų23.54%0.03914%0.143CC..Hα-helixtrans-54.5-51.8174.8-57.8-175.4-60.8-74.80112.6L18 I19 G20 D21 V24 C28 L29 L30 D68 T69 V92L18-K26 HydrophobicContact CB-CB 4.23Å; L18-K26 HydrophobicContact CB-CD 4.37Å; L18-K26 HydrophobicContact CD1-CB 4.42Å; L18-K26 WeakPolarHBondContact CD1-O 3.12Å; I19-K26 WeakPolarHBondContact O-CD 3.38Å; G20-K26 PolarHBondContact O-NZ 3.26Å; D21-K26 PolarHBondContact O-NZ 2.88Å; V24-K26 HydrophobicContact CG2-CD 4.37Å; V24-K26 HydrophobicContact CG2-CG 3.72Å; K26-C28 VanDerWaalsContact C-N 3.3Å; K26-C28 PolarHBondContact O-N 3.43Å; K26-L29 WeakPolarHBondContact O-CB 3.36Å; K26-L29 PolarHBondContact O-N 3.38Å; K26-L29 VanDerWaalsContact O-N 3.14Å; K26-L30 PolarHBondContact O-N 3.35Å; K26-D68 WeakPolarHBondContact CB-OD1 3.22Å; K26-T69 WeakPolarHBondContact CE-O 3.23Å; K26-V92 HydrophobicContact CG-CB 3.97Å; K26-V92 HydrophobicContact CG-CG1 4.47Å; K26-V92 HydrophobicContact CG-CG2 4.06Å
27S93.6Very high93.5Very high30 Ų3026.7 Ų26.721%0.2116%0.163CC..Hα-helixtrans-61.7-37.8177.1-400000112.2L30 L31 T45 D68S27-L30 PolarHBondContact O-N 3.42Å; S27-L31 WeakPolarHBondContact O-CB 3.35Å; S27-L31 VanDerWaalsContact O-CG 3.3Å; S27-L31 WeakPolarHBondContact O-CG 3.49Å; S27-L31 PolarHBondContact O-N 3.44Å; S27-T45 PolarHBondContact OG-OG1 3.03Å; S27-D68 WeakPolarHBondContact CA-OD2 3.43Å; S27-D68 WeakPolarHBondContact CB-OD2 3.3Å; S27-D68 PolarHBondContact N-OD1 3.42Å; S27-D68 PolarHBondContact OG-OD2 2.73Å
28C94.4Very high93.2Very high36 Ų3630.8 Ų30.824%0.24318%0.178CC..Hα-helixtrans-67.5-37.6176.5-54.50000111.8G25 K26 R32 Y38 A157G25-C28 PolarHBondContact O-N 3.19Å; K26-C28 VanDerWaalsContact C-N 3.3Å; K26-C28 PolarHBondContact O-N 3.43Å; C28-R32 WeakPolarHBondContact O-CB 3.49Å; C28-R32 PolarHBondContact O-N 2.83Å; C28-Y38 HydrophobicContact CB-CD2 4.34Å; C28-Y38 HydrophobicContact CB-CE2 4.34Å; C28-A157 HydrophobicContact CB-CB 3.69Å
29L95.9Very high92.6Very high5 Ų533.9 Ų33.93%0.02620%0.198CC..Hα-helixtrans-64.5-43.3172.5-74.2170.9000111.2G25 K26 R32 F33 V92 V124 N126 A157 V163G25-L29 PolarHBondContact O-N 2.98Å; K26-L29 WeakPolarHBondContact O-CB 3.36Å; K26-L29 PolarHBondContact O-N 3.38Å; K26-L29 VanDerWaalsContact O-N 3.14Å; L29-R32 PolarHBondContact O-N 3.12Å; L29-F33 VanDerWaalsContact O-CB 3.31Å; L29-F33 WeakPolarHBondContact O-CB 3.43Å; L29-F33 PolarHBondContact O-N 3.44Å; L29-V92 HydrophobicContact CD1-CG1 3.87Å; L29-V92 HydrophobicContact CD1-CG2 4.1Å; L29-V124 HydrophobicContact CD1-CG1 4.05Å; L29-N126 HydrophobicContact CD1-CB 4.26Å; L29-A157 HydrophobicContact CD2-CB 4.01Å; L29-A157 HydrophobicContact CG-CB 4.27Å; L29-V163 HydrophobicContact CD2-CB 4.45Å; L29-V163 HydrophobicContact CD2-CG1 4.14Å; L29-V163 HydrophobicContact CD2-CG2 3.71Å
30L95Very high91.7Very high1 Ų140.5 Ų40.51%0.00523%0.228CC..Hα-helixtrans-60.3-50.2176.5-179.657.4000111.6L18 K26 S27 F33 A34 K51 I66 D68L18-L30 HydrophobicContact CD1-CB 3.95Å; K26-L30 PolarHBondContact O-N 3.35Å; S27-L30 PolarHBondContact O-N 3.42Å; L30-F33 PolarHBondContact O-N 3.29Å; L30-A34 VanDerWaalsContact O-CB 3.25Å; L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 3.15Å; L30-K51 HydrophobicContact CD1-CB 3.9Å; L30-K51 HydrophobicContact CD1-CG 4.22Å; L30-K51 HydrophobicContact CD2-CB 4.25Å; L30-K51 HydrophobicContact CD2-CG 3.93Å; L30-K51 HydrophobicContact CG-CB 4.26Å; L30-K51 HydrophobicContact CG-CG 4.02Å; L30-I66 HydrophobicContact CD1-CB 3.72Å; L30-I66 HydrophobicContact CD1-CD1 4.07Å; L30-I66 HydrophobicContact CD1-CG2 3.53Å; L30-D68 HydrophobicContact CD2-CB 3.49Å; L30-D68 VanDerWaalsContact CD2-CB 3.49Å
31L93.2Very high90.8Very high46 Ų4644.3 Ų44.324%0.24126%0.255CS..Hα-helixtrans-64.9-41.2179.9-70.5173.4000111.9S27 F33 A34 D35 D36 T37S27-L31 WeakPolarHBondContact O-CB 3.35Å; S27-L31 VanDerWaalsContact O-CG 3.3Å; S27-L31 WeakPolarHBondContact O-CG 3.49Å; S27-L31 PolarHBondContact O-N 3.44Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 2.87Å; L31-A34 PolarHBondContact O-N 3.2Å; L31-D35 WeakPolarHBondContact O-CA 3.36Å; L31-D35 PolarHBondContact O-N 3.42Å; L31-D36 PolarHBondContact O-N 3.08Å; L31-T37 CarbonylContact C-O 3.56Å
32R95.4Very high89.6Confident43 Ų4350.1 Ų50.116%0.16228%0.277CS..Hα-helixtrans-62.5-41.1175.9176.256.772.8-170.53.8111.1C28 L29 D36 T37 A157 K158 A160 V163C28-R32 WeakPolarHBondContact O-CB 3.49Å; C28-R32 PolarHBondContact O-N 2.83Å; L29-R32 PolarHBondContact O-N 3.12Å; R32-D36 WeakPolarHBondContact CD-OD1 3.48Å; R32-D36 IonicContact CZ-OD1 2.64Å; R32-D36 VanDerWaalsContact NH1-C 3.31Å; R32-D36 PolarHBondContact NH1-O 3.31Å; R32-D36 IonicContact NH1-OD1 2.88Å; R32-D36 PolarHBondContact NH1-OD1 3.11Å; R32-D36 VanDerWaalsContact O-CA 3.28Å; R32-D36 WeakPolarHBondContact O-CA 3.4Å; R32-D36 PolarHBondContact O-N 3.02Å; R32-T37 VanDerWaalsContact CA-O 3.31Å; R32-T37 WeakPolarHBondContact CA-O 3.35Å; R32-T37 PolarHBondContact N-O 3.04Å; R32-A157 PolarHBondContact NE-O 3.36Å; R32-K158 PolarHBondContact NH2-O 2.91Å; R32-A160 HydrophobicContact CG-CB 4.23Å; R32-V163 HydrophobicContact CB-CG1 4.2Å; R32-V163 HydrophobicContact CG-CB 4.15Å; R32-V163 HydrophobicContact CG-CG1 3.88Å; R32-V163 HydrophobicContact CG-CG2 4.03Å
33F95.6Very high88.8Confident4 Ų454.5 Ų54.52%0.01830%0.295CS..Hα-helixtrans-73.1-44.8177.4-179-105.5000112.5L29 L30 L31 R53 I55 L64 I66 V163 E164 F167L29-F33 VanDerWaalsContact O-CB 3.31Å; L29-F33 WeakPolarHBondContact O-CB 3.43Å; L29-F33 PolarHBondContact O-N 3.44Å; L30-F33 PolarHBondContact O-N 3.29Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 2.87Å; F33-R53 HydrophobicContact CE1-CB 3.96Å; F33-R53 HydrophobicContact CE1-CG 4.13Å; F33-R53 HydrophobicContact CZ-CG 4.44Å; F33-R53 VanDerWaalsContact O-CD 3.26Å; F33-R53 WeakPolarHBondContact O-CD 3.5Å; F33-R53 PolarHBondContact O-NH1 3.14Å; F33-I55 HydrophobicContact CZ-CG2 4.08Å; F33-L64 HydrophobicContact CE1-CD1 4.05Å; F33-L64 HydrophobicContact CZ-CD1 3.96Å; F33-I66 HydrophobicContact CD1-CD1 3.56Å; F33-I66 HydrophobicContact CE1-CD1 3.53Å; F33-V163 HydrophobicContact CB-CG1 4.02Å; F33-E164 VanDerWaalsContact CD2-OE2 3.31Å; F33-E164 WeakPolarHBondContact CD2-OE2 3.37Å; F33-E164 VanDerWaalsContact CE2-OE2 3.25Å; F33-E164 WeakPolarHBondContact CE2-OE2 3.47Å; F33-F167 HydrophobicContact CB-CD2 3.68Å; F33-F167 HydrophobicContact CB-CE2 3.51Å; F33-F167 HydrophobicContact CB-CZ 4.22Å; F33-F167 HydrophobicContact CD1-CB 4.36Å; F33-F167 HydrophobicContact CD1-CD1 4.16Å; F33-F167 AromaticContact CD1-CD2 3.89Å; F33-F167 HydrophobicContact CD1-CD2 3.89Å; F33-F167 HydrophobicContact CD1-CE1 4.45Å; F33-F167 HydrophobicContact CD1-CE2 4.2Å; F33-F167 AromaticContact CD1-CG 3.88Å; F33-F167 HydrophobicContact CD1-CG 3.88Å; F33-F167 HydrophobicContact CD1-CZ 4.47Å; F33-F167 HydrophobicContact CD2-CB 3.84Å; F33-F167 AromaticContact CD2-CD2 3.37Å; F33-F167 HydrophobicContact CD2-CD2 3.37Å; F33-F167 HydrophobicContact CD2-CE2 4.14Å; F33-F167 AromaticContact CD2-CG 3.78Å; F33-F167 HydrophobicContact CD2-CG 3.78Å; F33-F167 HydrophobicContact CE1-CB 4Å; F33-F167 HydrophobicContact CE1-CD1 4.25Å; F33-F167 HydrophobicContact CE1-CD2 4.38Å; F33-F167 AromaticContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE2-CB 3.43Å; F33-F167 VanDerWaalsContact CE2-CB 3.43Å; F33-F167 AromaticContact CE2-CD2 3.93Å; F33-F167 HydrophobicContact CE2-CD2 3.93Å; F33-F167 AromaticContact CE2-CG 3.87Å; F33-F167 HydrophobicContact CE2-CG 3.87Å; F33-F167 HydrophobicContact CG-CB 4.29Å; F33-F167 HydrophobicContact CG-CD1 4.45Å; F33-F167 AromaticContact CG-CD2 3.35Å; F33-F167 HydrophobicContact CG-CD2 3.35Å; F33-F167 AromaticContact CG-CE2 3.69Å; F33-F167 HydrophobicContact CG-CE2 3.69Å; F33-F167 AromaticContact CG-CG 3.79Å; F33-F167 HydrophobicContact CG-CG 3.79Å; F33-F167 HydrophobicContact CG-CZ 4.37Å; F33-F167 HydrophobicContact CZ-CB 3.52Å; F33-F167 HydrophobicContact CZ-CD2 4.41Å; F33-F167 AromaticContact CZ-CG 3.96Å; F33-F167 HydrophobicContact CZ-CG 3.96Å
34A91.3Very high88Confident26 Ų2656 Ų5622%0.21530%0.301CS..Hα-helixtrans-79.1-40.1-172.300000113.1L30 L31 K51L30-A34 VanDerWaalsContact O-CB 3.25Å; L30-A34 WeakPolarHBondContact O-CB 3.47Å; L30-A34 PolarHBondContact O-N 3.15Å; L31-A34 PolarHBondContact O-N 3.2Å; A34-K51 HydrophobicContact CB-CB 4Å; A34-K51 HydrophobicContact CB-CD 4.18Å; A34-K51 HydrophobicContact CB-CG 4.03Å
35D89.7Confident86.8Confident70 Ų7057.5 Ų57.537%0.37431%0.31SS..Hα-helixtrans-121.6-2.1-167.4-54.3-24.8000112.8L31 T37 K51L31-D35 WeakPolarHBondContact O-CA 3.36Å; L31-D35 PolarHBondContact O-N 3.42Å; D35-T37 HydrophobicContact CB-CG2 4.2Å; D35-T37 WeakPolarHBondContact O-CG2 3.4Å; D35-T37 PolarHBondContact O-N 2.89Å; D35-K51 IonicContact OD1-NZ 3.59Å; D35-K51 PolarHBondContact OD1-NZ 2.67Å; D35-K51 IonicContact OD2-NZ 2.65Å; D35-K51 PolarHBondContact OD2-NZ 3.26Å
36D90.9Very high85.7Confident114 Ų11464.5 Ų64.561%0.6134%0.343SS*.SBendtrans50.937.6-170.2-163.224.5000113.8L31 R32L31-D36 PolarHBondContact O-N 3.08Å; R32-D36 WeakPolarHBondContact CD-OD1 3.48Å; R32-D36 IonicContact CZ-OD1 2.64Å; R32-D36 VanDerWaalsContact NH1-C 3.31Å; R32-D36 PolarHBondContact NH1-O 3.31Å; R32-D36 IonicContact NH1-OD1 2.88Å; R32-D36 PolarHBondContact NH1-OD1 3.11Å; R32-D36 VanDerWaalsContact O-CA 3.28Å; R32-D36 WeakPolarHBondContact O-CA 3.4Å; R32-D36 PolarHBondContact O-N 3.02Å
37T88.1Confident84.6Confident68 Ų6865.2 Ų65.242%0.41735%0.353SS..  trans-117.6155.4178.860.70000112.2L31 R32 D35L31-T37 CarbonylContact C-O 3.56Å; R32-T37 VanDerWaalsContact CA-O 3.31Å; R32-T37 WeakPolarHBondContact CA-O 3.35Å; R32-T37 PolarHBondContact N-O 3.04Å; D35-T37 HydrophobicContact CB-CG2 4.2Å; D35-T37 WeakPolarHBondContact O-CG2 3.4Å; D35-T37 PolarHBondContact O-N 2.89Å
38Y88.8Confident84Confident85 Ų8565.5 Ų65.533%0.33335%0.354SS..  trans-143.7139.5172.4173.7-96.1000109.8C28 E40 A157 K158C28-Y38 HydrophobicContact CB-CD2 4.34Å; C28-Y38 HydrophobicContact CB-CE2 4.34Å; Y38-E40 HydrophobicContact CE1-CG 3.56Å; Y38-A157 HydrophobicContact CD2-CB 4.26Å; Y38-A157 HydrophobicContact CE2-CB 4.42Å; Y38-K158 HydrophobicContact CD1-CG 4.32Å; Y38-K158 HydrophobicContact CD2-CB 4.43Å; Y38-K158 HydrophobicContact CE1-CB 4.13Å; Y38-K158 HydrophobicContact CE1-CD 4.28Å; Y38-K158 HydrophobicContact CE1-CG 3.82Å; Y38-K158 HydrophobicContact CE2-CB 3.97Å
39T82.3Confident83.5Confident66 Ų6667.2 Ų67.241%0.40536%0.36SS..  trans-128.1137.1173.4-177.90000109.6S41T39-S41 VanDerWaalsContact C-N 3.27Å; T39-S41 PolarHBondContact OG1-N 3.38Å
40E77.3Confident83.1Confident139 Ų13970.3 Ų70.365%0.6537%0.374SS*.  trans-78.1-16.4173.2-68.4-169.3161.600112.1Y38 Y42 K158Y38-E40 HydrophobicContact CE1-CG 3.56Å; E40-Y42 PolarHBondContact O-N 3.37Å; E40-K158 IonicContact OE1-NZ 2.67Å; E40-K158 PolarHBondContact OE1-NZ 2.9Å
41S75.5Confident83Confident81 Ų8172.9 Ų72.957%0.56639%0.385SS*.SBendtrans-67.7109.7177.4-58.20000109.9T39 I43T39-S41 VanDerWaalsContact C-N 3.27Å; T39-S41 PolarHBondContact OG1-N 3.38Å; S41-I43 PolarHBondContact O-N 3.34Å
42Y67.1Low83.1Confident142 Ų14274.5 Ų74.556%0.55739%0.393SS*.  trans-70.8100.8171.1179.7-106.5000109.7S22 E40 S44S22-Y42 PolarHBondContact OG-OH 3.14Å; E40-Y42 PolarHBondContact O-N 3.37Å; Y42-S44 WeakPolarHBondContact CE1-OG 3.3Å; Y42-S44 PolarHBondContact OH-OG 2.93Å
43I74Confident83Confident140 Ų14075.6 Ų75.672%0.71840%0.397SS*.  trans-104.1117.2168.3-56.9176.9000106.4S41 T45S41-I43 PolarHBondContact O-N 3.34Å; I43-T45 PolarHBondContact O-N 2.98Å
44S74.4Confident83Confident59 Ų5979 Ų7941%0.41342%0.418SS..  trans-65.5128.6177.5-66.10000110.3Y42 I46Y42-S44 WeakPolarHBondContact CE1-OG 3.3Å; Y42-S44 PolarHBondContact OH-OG 2.93Å; S44-I46 PolarHBondContact O-N 3.45Å
45T71.1Confident83.2Confident33 Ų3378.2 Ų78.220%0.20241%0.41CS..  trans-62.5120.7174.5-45.10000109.8S27 I43 D49 A70S27-T45 PolarHBondContact OG-OG1 3.03Å; I43-T45 PolarHBondContact O-N 2.98Å; T45-D49 HydrophobicContact CG2-CB 4.5Å; T45-A70 WeakPolarHBondContact O-CB 3.33Å
46I71.3Confident83.4Confident157 Ų15782.1 Ų82.181%0.80543%0.426SS*.  trans-89.3107.7173.1-58.4176.4000107.3S44 V48S44-I46 PolarHBondContact O-N 3.45Å; I46-V48 PolarHBondContact O-N 2.76Å
47G71.6Confident83.5Confident24 Ų2477.5 Ų77.525%0.24740%0.402CS..SBendtrans78.3-116.2-179.700000112.9A70G47-A70 WeakPolarHBondContact O-CB 3.43Å; G47-A70 PolarHBondContact O-N 2.95Å
48V81Confident83.7Confident37 Ų3780.5 Ų80.522%0.22442%0.415CS..EExtended strand (participates in β ladder)trans-138.9133.2-175.3179.90000109.4I46 W67 D68 T69 Y82I46-V48 PolarHBondContact O-N 2.76Å; V48-W67 HydrophobicContact CG1-CB 4.37Å; V48-W67 HydrophobicContact CG1-CE3 3.73Å; V48-W67 HydrophobicContact CG1-CZ3 4.5Å; V48-D68 CarbonylContact C-O 3.58Å; V48-D68 VanDerWaalsContact CA-O 3.24Å; V48-D68 WeakPolarHBondContact CA-O 3.36Å; V48-D68 VanDerWaalsContact CG1-O 3.29Å; V48-D68 WeakPolarHBondContact CG1-O 3.3Å; V48-T69 HydrophobicContact CG2-CG2 4.41Å; V48-Y82 HydrophobicContact CB-CE1 4.12Å; V48-Y82 HydrophobicContact CB-CE2 4.29Å; V48-Y82 HydrophobicContact CG1-CD1 4.07Å; V48-Y82 HydrophobicContact CG1-CE1 3.81Å; V48-Y82 HydrophobicContact CG2-CD2 3.93Å; V48-Y82 HydrophobicContact CG2-CE1 4.15Å; V48-Y82 HydrophobicContact CG2-CE2 3.5Å; V48-Y82 HydrophobicContact CG2-CG 4.4Å
49D85.1Confident83.7Confident71 Ų7180 Ų8038%0.3844%0.436SS..EExtended strand (participates in β ladder)trans-105.1157.7171.8-16717.9000110.6T45 W67 D68T45-D49 HydrophobicContact CG2-CB 4.5Å; D49-W67 WeakPolarHBondContact O-CA 3.38Å; D49-D68 HydrophobicContact CB-CB 4.4Å; D49-D68 PolarHBondContact N-O 3.25Å; D49-D68 PolarHBondContact O-N 3.36Å
50F87.5Confident84.2Confident70 Ų7080.4 Ų80.431%0.30743%0.432SS..EExtended strand (participates in β ladder)trans-142126.2-172.5174.4-102.4000111.8I52 Q65 I66 W67F50-I52 HydrophobicContact CD1-CG1 4.47Å; F50-I52 HydrophobicContact CE1-CD1 3.66Å; F50-I52 HydrophobicContact CE1-CG1 3.46Å; F50-I52 VanDerWaalsContact CE1-CG1 3.46Å; F50-I52 HydrophobicContact CE2-CG1 4.42Å; F50-I52 HydrophobicContact CZ-CD1 3.74Å; F50-I52 HydrophobicContact CZ-CG1 3.44Å; F50-I52 VanDerWaalsContact CZ-CG1 3.44Å; F50-Q65 HydrophobicContact CE2-CB 3.72Å; F50-Q65 HydrophobicContact CE2-CG 3.95Å; F50-Q65 HydrophobicContact CZ-CB 4.07Å; F50-Q65 HydrophobicContact CZ-CG 3.76Å; F50-I66 WeakPolarHBondContact CA-O 3.48Å; F50-W67 HydrophobicContact CB-CE3 4.21Å; F50-W67 HydrophobicContact CB-CZ3 4.31Å; F50-W67 AromaticContact CD2-CD2 3.64Å; F50-W67 HydrophobicContact CD2-CD2 3.64Å; F50-W67 AromaticContact CD2-CE2 3.53Å; F50-W67 AromaticContact CD2-CE3 3.96Å; F50-W67 HydrophobicContact CD2-CE3 3.96Å; F50-W67 HydrophobicContact CD2-CG 4.08Å; F50-W67 HydrophobicContact CD2-CH2 4.19Å; F50-W67 AromaticContact CD2-CZ2 3.85Å; F50-W67 HydrophobicContact CD2-CZ2 3.85Å; F50-W67 HydrophobicContact CD2-CZ3 4.22Å; F50-W67 AromaticContact CD2-NE1 3.8Å; F50-W67 HydrophobicContact CE2-CD2 4.25Å; F50-W67 AromaticContact CE2-CE2 3.68Å; F50-W67 AromaticContact CE2-CZ2 3.88Å; F50-W67 HydrophobicContact CE2-CZ2 3.88Å; F50-W67 AromaticContact CE2-NE1 3.66Å; F50-W67 HydrophobicContact CG-CE3 4.45Å; F50-W67 HydrophobicContact CG-CZ3 4.46Å
51K92.7Very high85.1Confident56 Ų5675.6 Ų75.624%0.24341%0.412CS..EExtended strand (participates in β ladder)trans-127.1151.2173.6-69.5-77.9-168153.60111.1L30 A34 D35 I66L30-K51 HydrophobicContact CD1-CB 3.9Å; L30-K51 HydrophobicContact CD1-CG 4.22Å; L30-K51 HydrophobicContact CD2-CB 4.25Å; L30-K51 HydrophobicContact CD2-CG 3.93Å; L30-K51 HydrophobicContact CG-CB 4.26Å; L30-K51 HydrophobicContact CG-CG 4.02Å; A34-K51 HydrophobicContact CB-CB 4Å; A34-K51 HydrophobicContact CB-CD 4.18Å; A34-K51 HydrophobicContact CB-CG 4.03Å; D35-K51 IonicContact OD1-NZ 3.59Å; D35-K51 PolarHBondContact OD1-NZ 2.67Å; D35-K51 IonicContact OD2-NZ 2.65Å; D35-K51 PolarHBondContact OD2-NZ 3.26Å; K51-I66 PolarHBondContact N-O 3.18Å; K51-I66 PolarHBondContact O-N 2.91Å
52I93.8Very high86Confident79 Ų7971.7 Ų71.741%0.40539%0.385SS..EExtended strand (participates in β ladder)trans-116.4130.7172.6-61.8-177.1000108.3F50 K63 L64 Q65F50-I52 HydrophobicContact CD1-CG1 4.47Å; F50-I52 HydrophobicContact CE1-CD1 3.66Å; F50-I52 HydrophobicContact CE1-CG1 3.46Å; F50-I52 VanDerWaalsContact CE1-CG1 3.46Å; F50-I52 HydrophobicContact CE2-CG1 4.42Å; F50-I52 HydrophobicContact CZ-CD1 3.74Å; F50-I52 HydrophobicContact CZ-CG1 3.44Å; F50-I52 VanDerWaalsContact CZ-CG1 3.44Å; I52-K63 HydrophobicContact CG2-CD 4.21Å; I52-K63 HydrophobicContact CG2-CG 3.77Å; I52-L64 VanDerWaalsContact CA-O 3.26Å; I52-L64 WeakPolarHBondContact CA-O 3.42Å; I52-Q65 HydrophobicContact CD1-CG 4.46Å; I52-Q65 HydrophobicContact CG1-CG 4.26Å
53R94.5Very high87.4Confident67 Ų6767.6 Ų67.625%0.25337%0.37SS..EExtended strand (participates in β ladder)trans-134.5132168.9-176.3165.6171.7-145.7-14.1109.7F33 I55 L64 E164F33-R53 HydrophobicContact CE1-CB 3.96Å; F33-R53 HydrophobicContact CE1-CG 4.13Å; F33-R53 HydrophobicContact CZ-CG 4.44Å; F33-R53 VanDerWaalsContact O-CD 3.26Å; F33-R53 WeakPolarHBondContact O-CD 3.5Å; F33-R53 PolarHBondContact O-NH1 3.14Å; R53-I55 HydrophobicContact CG-CG2 4.34Å; R53-L64 PolarHBondContact N-O 2.97Å; R53-L64 WeakPolarHBondContact O-CA 3.39Å; R53-L64 WeakPolarHBondContact O-CB 3.38Å; R53-L64 PolarHBondContact O-N 2.98Å; R53-E164 IonicContact CZ-OE1 3.52Å; R53-E164 IonicContact CZ-OE2 2.84Å; R53-E164 IonicContact NH1-OE1 2.75Å; R53-E164 IonicContact NH1-OE2 2.77Å; R53-E164 PolarHBondContact NH1-OE2 3.38Å; R53-E164 IonicContact NH2-OE1 3.77Å; R53-E164 PolarHBondContact NH2-OE1 2.87Å; R53-E164 IonicContact NH2-OE2 3.51Å; R53-E164 PolarHBondContact NH2-OE2 3.32Å
54T95.1Very high88.5Confident75 Ų7561 Ų6146%0.4634%0.336SS..EExtended strand (participates in β ladder)trans-93.2133.3172.6-57.10000108.7T61 I62T54-T61 HydrophobicContact CG2-CG2 3.37Å; T54-I62 CarbonylContact C-O 3.59Å; T54-I62 WeakPolarHBondContact CA-O 3.41Å
55I95.2Very high89.5Confident9 Ų960.5 Ų60.55%0.04633%0.328CS..EExtended strand (participates in β ladder)trans-125.9158.7177.461.5167.3000109.8F33 R53 I62 L64 M168 A171F33-I55 HydrophobicContact CZ-CG2 4.08Å; R53-I55 HydrophobicContact CG-CG2 4.34Å; I55-I62 HydrophobicContact CD1-CB 4.45Å; I55-I62 HydrophobicContact CG1-CB 3.93Å; I55-I62 PolarHBondContact N-O 3.43Å; I55-I62 PolarHBondContact O-N 2.66Å; I55-L64 HydrophobicContact CD1-CD1 3.77Å; I55-L64 HydrophobicContact CD1-CD2 4.44Å; I55-L64 HydrophobicContact CD1-CG 4.17Å; I55-L64 HydrophobicContact CG1-CD1 4.2Å; I55-L64 HydrophobicContact CG1-CG 4.25Å; I55-L64 HydrophobicContact CG2-CD1 4.36Å; I55-M168 HydrophobicContact CB-SD 4.12Å; I55-M168 HydrophobicContact CD1-CE 4.45Å; I55-M168 HydrophobicContact CD1-SD 3.44Å; I55-M168 WeakPolarHBondContact CD1-SD 3.43Å; I55-M168 HydrophobicContact CG1-SD 4.33Å; I55-M168 HydrophobicContact CG2-SD 4.24Å; I55-A171 HydrophobicContact CD1-CB 3.74Å
56E94.6Very high90.7Very high152 Ų15259 Ų5971%0.7132%0.318SS*.EExtended strand (participates in β ladder)trans-105.6129.7168.4-67.7-170.7175.400109.8K60E56-K60 WeakPolarHBondContact CA-O 3.41Å
57L93.3Very high91.7Very high18 Ų1854.4 Ų54.49%0.09429%0.291CS..EExtended strand (participates in β ladder)trans-141.4116.5179.8-168.897000110.4G59 K60 I62 M168 A172 K175L57-G59 PolarHBondContact O-N 3.44Å; L57-K60 PolarHBondContact N-O 3Å; L57-K60 WeakPolarHBondContact O-CB 3.33Å; L57-K60 PolarHBondContact O-N 2.99Å; L57-K60 VanDerWaalsContact O-N 3.12Å; L57-I62 HydrophobicContact CB-CD1 3.75Å; L57-I62 HydrophobicContact CB-CG1 4.48Å; L57-I62 HydrophobicContact CD2-CD1 3.93Å; L57-I62 HydrophobicContact CG-CD1 4.49Å; L57-M168 HydrophobicContact CD1-CE 3.55Å; L57-M168 HydrophobicContact CD1-SD 4.44Å; L57-A172 HydrophobicContact CD1-CB 4.44Å; L57-A172 HydrophobicContact CD2-CB 3.95Å; L57-K175 HydrophobicContact CD2-CB 4.5Å; L57-K175 HydrophobicContact CD2-CD 3.73Å; L57-K175 PolarHBondContact O-NZ 2.93Å
58D90.9Very high92.7Very high131 Ų13153.3 Ų53.370%0.70128%0.279SS*.THydrogen-bonded Turntrans45.553-172.5-26-62.9000113.3K60 K175D58-K60 PolarHBondContact O-N 3.29Å; D58-K175 VanDerWaalsContact CB-NZ 3.29Å; D58-K175 IonicContact OD2-NZ 2.66Å; D58-K175 PolarHBondContact OD2-NZ 2.87Å
59G90.1Very high92.9Very high75 Ų7551.5 Ų51.577%0.77327%0.268SS*.THydrogen-bonded Turntrans67.317.5178.600000114.6L57L57-G59 PolarHBondContact O-N 3.44Å
60K92.9Very high92.6Very high74 Ų7448.4 Ų48.432%0.32225%0.252SS..EExtended strand (participates in β ladder)trans-117.6134.1176.2-64.3-68.4-177.1-172.50110.6D11 Y12 E56 L57 D58D11-K60 HydrophobicContact CB-CB 4.28Å; D11-K60 HydrophobicContact CB-CD 3.87Å; D11-K60 VanDerWaalsContact OD1-CD 3.24Å; D11-K60 WeakPolarHBondContact OD1-CD 3.49Å; D11-K60 IonicContact OD1-NZ 3.88Å; D11-K60 PolarHBondContact OD1-NZ 3.1Å; D11-K60 WeakPolarHBondContact OD2-CA 3.38Å; D11-K60 WeakPolarHBondContact OD2-CD 3.33Å; Y12-K60 HydrophobicContact CD2-CB 4.17Å; Y12-K60 HydrophobicContact CE2-CB 4Å; Y12-K60 HydrophobicContact CE2-CD 4.15Å; Y12-K60 HydrophobicContact CE2-CG 3.97Å; E56-K60 WeakPolarHBondContact CA-O 3.41Å; L57-K60 PolarHBondContact N-O 3Å; L57-K60 WeakPolarHBondContact O-CB 3.33Å; L57-K60 PolarHBondContact O-N 2.99Å; L57-K60 VanDerWaalsContact O-N 3.12Å; D58-K60 PolarHBondContact O-N 3.29Å
61T94.6Very high91.6Very high37 Ų3745.3 Ų45.323%0.22724%0.24CC..EExtended strand (participates in β ladder)trans-86.2114.9176.9-58.60000108.8Y10 D11 Y12 T54Y10-T61 CarbonylContact C-O 3.6Å; D11-T61 PolarHBondContact N-O 2.81Å; D11-T61 PolarHBondContact OD2-N 2.83Å; Y12-T61 PolarHBondContact N-O 2.63Å; T54-T61 HydrophobicContact CG2-CG2 3.37Å
62I95.6Very high90.3Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-114.1121.2-176.5-51.7-176.2000109Y12 F14 T54 I55 L57 L64 K175Y12-I62 HydrophobicContact CD2-CD1 4.47Å; Y12-I62 HydrophobicContact CD2-CG1 4.09Å; F14-I62 HydrophobicContact CD2-CG2 3.55Å; F14-I62 HydrophobicContact CE2-CD1 3.86Å; F14-I62 HydrophobicContact CE2-CG2 3.61Å; F14-I62 HydrophobicContact CG-CG2 4.04Å; F14-I62 HydrophobicContact CZ-CD1 4.22Å; F14-I62 HydrophobicContact CZ-CG2 4.11Å; T54-I62 CarbonylContact C-O 3.59Å; T54-I62 WeakPolarHBondContact CA-O 3.41Å; I55-I62 HydrophobicContact CD1-CB 4.45Å; I55-I62 HydrophobicContact CG1-CB 3.93Å; I55-I62 PolarHBondContact N-O 3.43Å; I55-I62 PolarHBondContact O-N 2.66Å; L57-I62 HydrophobicContact CB-CD1 3.75Å; L57-I62 HydrophobicContact CB-CG1 4.48Å; L57-I62 HydrophobicContact CD2-CD1 3.93Å; L57-I62 HydrophobicContact CG-CD1 4.49Å; I62-L64 HydrophobicContact CG2-CD2 3.79Å; I62-K175 HydrophobicContact CD1-CD 4.24Å
63K96.1Very high88.7Confident56 Ų5647.4 Ų47.424%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-89.5114.2172.4-168.7168.1-171.9169.80109.3Y10 Y12 L13 F14 I52Y10-K63 HydrophobicContact CD1-CB 4.18Å; Y10-K63 HydrophobicContact CD1-CD 3.76Å; Y10-K63 HydrophobicContact CD2-CB 4.22Å; Y10-K63 HydrophobicContact CE1-CD 3.81Å; Y10-K63 HydrophobicContact CG-CB 3.9Å; Y10-K63 HydrophobicContact CG-CD 4.34Å; Y12-K63 PolarHBondContact O-N 3.19Å; L13-K63 CarbonylContact C-O 3.44Å; L13-K63 WeakPolarHBondContact CA-O 3.13Å; L13-K63 HydrophobicContact CD1-CB 3.84Å; L13-K63 HydrophobicContact CD1-CD 4.06Å; L13-K63 HydrophobicContact CD1-CG 3.84Å; F14-K63 PolarHBondContact N-O 3.43Å; I52-K63 HydrophobicContact CG2-CD 4.21Å; I52-K63 HydrophobicContact CG2-CG 3.77Å
64L96.8Very high87.1Confident0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-92.4129.7175.2-57.3-178.3000109.9F14 L16 F33 I52 R53 I55 I62 I66 A171F14-L64 HydrophobicContact CB-CD2 3.88Å; F14-L64 HydrophobicContact CD2-CD2 3.96Å; F14-L64 HydrophobicContact CG-CD2 4.36Å; L16-L64 HydrophobicContact CD1-CD1 4.26Å; L16-L64 HydrophobicContact CD1-CD2 4.24Å; F33-L64 HydrophobicContact CE1-CD1 4.05Å; F33-L64 HydrophobicContact CZ-CD1 3.96Å; I52-L64 VanDerWaalsContact CA-O 3.26Å; I52-L64 WeakPolarHBondContact CA-O 3.42Å; R53-L64 PolarHBondContact N-O 2.97Å; R53-L64 WeakPolarHBondContact O-CA 3.39Å; R53-L64 WeakPolarHBondContact O-CB 3.38Å; R53-L64 PolarHBondContact O-N 2.98Å; I55-L64 HydrophobicContact CD1-CD1 3.77Å; I55-L64 HydrophobicContact CD1-CD2 4.44Å; I55-L64 HydrophobicContact CD1-CG 4.17Å; I55-L64 HydrophobicContact CG1-CD1 4.2Å; I55-L64 HydrophobicContact CG1-CG 4.25Å; I55-L64 HydrophobicContact CG2-CD1 4.36Å; I62-L64 HydrophobicContact CG2-CD2 3.79Å; L64-I66 HydrophobicContact CB-CD1 4.29Å; L64-I66 HydrophobicContact CB-CG1 4.1Å; L64-A171 HydrophobicContact CD2-CB 4.18Å
65Q96Very high85.5Confident50 Ų5051.8 Ų51.823%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-109.8102.2172.5-81.8-168.5-17.300107.9L13 F14 K15 L16 F50 I52L13-Q65 HydrophobicContact CD1-CG 3.76Å; F14-Q65 PolarHBondContact O-N 3.28Å; K15-Q65 CarbonylContact C-O 3.6Å; K15-Q65 WeakPolarHBondContact CA-O 3.15Å; L16-Q65 PolarHBondContact N-O 3.41Å; F50-Q65 HydrophobicContact CE2-CB 3.72Å; F50-Q65 HydrophobicContact CE2-CG 3.95Å; F50-Q65 HydrophobicContact CZ-CB 4.07Å; F50-Q65 HydrophobicContact CZ-CG 3.76Å; I52-Q65 HydrophobicContact CD1-CG 4.46Å; I52-Q65 HydrophobicContact CG1-CG 4.26Å
66I95.6Very high84Confident0 Ų053.9 Ų53.90%027%0.266CS..EExtended strand (participates in β ladder)trans-108.5120.9-169.7-50167.9000108.9L16 L18 L30 F33 F50 K51 L64 F167L16-I66 HydrophobicContact CB-CG1 4.27Å; L16-I66 HydrophobicContact CB-CG2 4.4Å; L16-I66 HydrophobicContact CD1-CG1 4.29Å; L18-I66 HydrophobicContact CD1-CG2 4.27Å; L18-I66 HydrophobicContact CD2-CG2 4.49Å; L18-I66 HydrophobicContact CG-CG2 4.07Å; L30-I66 HydrophobicContact CD1-CB 3.72Å; L30-I66 HydrophobicContact CD1-CD1 4.07Å; L30-I66 HydrophobicContact CD1-CG2 3.53Å; F33-I66 HydrophobicContact CD1-CD1 3.56Å; F33-I66 HydrophobicContact CE1-CD1 3.53Å; F50-I66 WeakPolarHBondContact CA-O 3.48Å; K51-I66 PolarHBondContact N-O 3.18Å; K51-I66 PolarHBondContact O-N 2.91Å; L64-I66 HydrophobicContact CB-CD1 4.29Å; L64-I66 HydrophobicContact CB-CG1 4.1Å; I66-F167 HydrophobicContact CD1-CD1 3.89Å; I66-F167 HydrophobicContact CD1-CE1 3.84Å; I66-F167 HydrophobicContact CG1-CE1 4.5Å; I66-F167 HydrophobicContact CG2-CE1 4Å
67W93.8Very high82.4Confident61 Ų6152.3 Ų52.323%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-102.3119.2178.8-61.881.4000108.9L16 L17 L18 V48 D49 F50 Y82L16-W67 PolarHBondContact O-N 3.34Å; L17-W67 HydrophobicContact CD1-CB 3.55Å; L18-W67 PolarHBondContact N-O 3Å; V48-W67 HydrophobicContact CG1-CB 4.37Å; V48-W67 HydrophobicContact CG1-CE3 3.73Å; V48-W67 HydrophobicContact CG1-CZ3 4.5Å; D49-W67 WeakPolarHBondContact O-CA 3.38Å; F50-W67 HydrophobicContact CB-CE3 4.21Å; F50-W67 HydrophobicContact CB-CZ3 4.31Å; F50-W67 AromaticContact CD2-CD2 3.64Å; F50-W67 HydrophobicContact CD2-CD2 3.64Å; F50-W67 AromaticContact CD2-CE2 3.53Å; F50-W67 AromaticContact CD2-CE3 3.96Å; F50-W67 HydrophobicContact CD2-CE3 3.96Å; F50-W67 HydrophobicContact CD2-CG 4.08Å; F50-W67 HydrophobicContact CD2-CH2 4.19Å; F50-W67 AromaticContact CD2-CZ2 3.85Å; F50-W67 HydrophobicContact CD2-CZ2 3.85Å; F50-W67 HydrophobicContact CD2-CZ3 4.22Å; F50-W67 AromaticContact CD2-NE1 3.8Å; F50-W67 HydrophobicContact CE2-CD2 4.25Å; F50-W67 AromaticContact CE2-CE2 3.68Å; F50-W67 AromaticContact CE2-CZ2 3.88Å; F50-W67 HydrophobicContact CE2-CZ2 3.88Å; F50-W67 AromaticContact CE2-NE1 3.66Å; F50-W67 HydrophobicContact CG-CE3 4.45Å; F50-W67 HydrophobicContact CG-CZ3 4.46Å; W67-Y82 HydrophobicContact CD2-CD1 4.02Å; W67-Y82 HydrophobicContact CD2-CE1 4.42Å; W67-Y82 AromaticContact CE3-CD1 3.53Å; W67-Y82 HydrophobicContact CE3-CD1 3.53Å; W67-Y82 AromaticContact CE3-CE1 3.51Å; W67-Y82 HydrophobicContact CE3-CE1 3.51Å; W67-Y82 HydrophobicContact CH2-CE1 4.31Å; W67-Y82 AromaticContact CZ3-CD1 3.88Å; W67-Y82 HydrophobicContact CZ3-CD1 3.88Å; W67-Y82 AromaticContact CZ3-CE1 3.45Å; W67-Y82 HydrophobicContact CZ3-CE1 3.45Å; W67-Y82 VanDerWaalsContact CZ3-CE1 3.45Å
68D91.3Very high81.1Confident1 Ų156.1 Ų56.11%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-98.8126173.3174.847.9000110.1L18 K26 S27 L30 V48 D49L18-D68 HydrophobicContact CD1-CB 4.45Å; K26-D68 WeakPolarHBondContact CB-OD1 3.22Å; S27-D68 WeakPolarHBondContact CA-OD2 3.43Å; S27-D68 WeakPolarHBondContact CB-OD2 3.3Å; S27-D68 PolarHBondContact N-OD1 3.42Å; S27-D68 PolarHBondContact OG-OD2 2.73Å; L30-D68 HydrophobicContact CD2-CB 3.49Å; L30-D68 VanDerWaalsContact CD2-CB 3.49Å; V48-D68 CarbonylContact C-O 3.58Å; V48-D68 VanDerWaalsContact CA-O 3.24Å; V48-D68 WeakPolarHBondContact CA-O 3.36Å; V48-D68 VanDerWaalsContact CG1-O 3.29Å; V48-D68 WeakPolarHBondContact CG1-O 3.3Å; D49-D68 HydrophobicContact CB-CB 4.4Å; D49-D68 PolarHBondContact N-O 3.25Å; D49-D68 PolarHBondContact O-N 3.36Å
69T85.6Confident80Confident0 Ų050 Ų500%025%0.254CS..EExtended strand (participates in β ladder)trans-105.3147-175.173.30000111.8L17 L18 K26 V48 G71 T79L17-T69 HydrophobicContact CD1-CG2 3.44Å; L17-T69 VanDerWaalsContact CD1-CG2 3.44Å; L17-T69 HydrophobicContact CG-CG2 4.16Å; L18-T69 WeakPolarHBondContact O-CG2 3.49Å; L18-T69 PolarHBondContact O-OG1 3.03Å; K26-T69 WeakPolarHBondContact CE-O 3.23Å; V48-T69 HydrophobicContact CG2-CG2 4.41Å; T69-G71 PolarHBondContact O-N 3.23Å; T69-T79 VanDerWaalsContact CB-CG2 3.45Å; T69-T79 HydrophobicContact CG2-CG2 3.31Å
70A78Confident79.3Confident5 Ų548.2 Ų48.24%0.04123%0.23CC..  trans-55.7130.7163.200000109.9T45 G47 Q72 F75T45-A70 WeakPolarHBondContact O-CB 3.33Å; G47-A70 WeakPolarHBondContact O-CB 3.43Å; G47-A70 PolarHBondContact O-N 2.95Å; A70-Q72 VanDerWaalsContact C-N 3.31Å; A70-F75 HydrophobicContact CB-CB 4.19Å; A70-F75 HydrophobicContact CB-CD2 3.88Å; A70-F75 HydrophobicContact CB-CG 4.33Å
71G66.5Low78.8Confident5 Ų548.5 Ų48.55%0.05224%0.241CC..  trans-88.9617800000114.1G20 S22 T69G20-G71 VanDerWaalsContact O-CA 3.23Å; G20-G71 WeakPolarHBondContact O-CA 2.86Å; S22-G71 PolarHBondContact N-O 3.35Å; T69-G71 PolarHBondContact O-N 3.23Å
72Q67.1Low78.4Confident56 Ų5649.5 Ų49.526%0.26224%0.241SC..  trans-81.9133.7-176.9-139.6178.231.900110.2A70 R74 F75A70-Q72 VanDerWaalsContact C-N 3.31Å; Q72-R74 PolarHBondContact O-N 3.08Å; Q72-R74 VanDerWaalsContact O-N 3.1Å; Q72-F75 HydrophobicContact CB-CD2 3.84Å; Q72-F75 HydrophobicContact CB-CE2 4.36Å; Q72-F75 PolarHBondContact O-N 3.21Å
73E58.5Low78.1Confident124 Ų12449.5 Ų49.558%0.57924%0.241SC*.G310 helixtrans-57.3-31.7-176.663.2-76.1156.100113.2F75 R76E73-F75 PolarHBondContact O-N 3.2Å; E73-F75 VanDerWaalsContact O-N 3.09Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.25Å; E73-R76 VanDerWaalsContact O-N 3.16Å
74R60.6Low77.7Confident175 Ų17556.3 Ų56.366%0.6627%0.265SS*.G310 helixtrans-59.6-20.8176.2-62.3-172.8-62.4179.70.9114Q72Q72-R74 PolarHBondContact O-N 3.08Å; Q72-R74 VanDerWaalsContact O-N 3.1Å
75F62Low77.3Confident59 Ų5958.1 Ų58.126%0.25928%0.284SS..G310 helixtrans-105.7-3.5-179-61.4-58.9000114.1A70 Q72 E73 T77 I78 T79A70-F75 HydrophobicContact CB-CB 4.19Å; A70-F75 HydrophobicContact CB-CD2 3.88Å; A70-F75 HydrophobicContact CB-CG 4.33Å; Q72-F75 HydrophobicContact CB-CD2 3.84Å; Q72-F75 HydrophobicContact CB-CE2 4.36Å; Q72-F75 PolarHBondContact O-N 3.21Å; E73-F75 PolarHBondContact O-N 3.2Å; E73-F75 VanDerWaalsContact O-N 3.09Å; F75-T77 PolarHBondContact O-N 3.47Å; F75-T77 VanDerWaalsContact O-N 3.14Å; F75-I78 HydrophobicContact CD1-CD1 3.84Å; F75-I78 WeakPolarHBondContact O-CB 3.46Å; F75-I78 PolarHBondContact O-N 3.48Å; F75-T79 PolarHBondContact O-N 3.05Å; F75-T79 PolarHBondContact O-OG1 2.83Å
76R64.3Low77.2Confident52 Ų5256 Ų5620%0.19628%0.275CS..Hα-helixtrans-53.9-35.8-179-76.6177.1178.8-167.35.8113.2D21 E73 I78 T79 Q106 W107 E110D21-R76 IonicContact OD1-NH2 3.22Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.25Å; E73-R76 VanDerWaalsContact O-N 3.16Å; R76-I78 VanDerWaalsContact C-N 3.35Å; R76-I78 PolarHBondContact O-N 3Å; R76-T79 WeakPolarHBondContact CA-OG1 3.48Å; R76-T79 PolarHBondContact O-N 3.19Å; R76-T79 PolarHBondContact O-OG1 3.14Å; R76-Q106 VanDerWaalsContact NH1-OE1 3.09Å; R76-W107 HydrophobicContact CG-CH2 3.99Å; R76-W107 HydrophobicContact CG-CZ3 4.31Å; R76-E110 WeakPolarHBondContact CD-OE1 3.48Å; R76-E110 IonicContact NE-OE1 2.7Å; R76-E110 IonicContact NH1-OE1 3.28Å
77T61.4Low77.2Confident120 Ų12058.5 Ų58.574%0.73629%0.286SS*.Hα-helixtrans-63.6-38.1176.3-51.10000112.7F75 T79 S80F75-T77 PolarHBondContact O-N 3.47Å; F75-T77 VanDerWaalsContact O-N 3.14Å; T77-T79 VanDerWaalsContact C-N 3.29Å; T77-T79 PolarHBondContact O-N 2.93Å; T77-S80 PolarHBondContact O-OG 2.85Å
78I64.6Low77.4Confident97 Ų9755.6 Ų55.650%0.49728%0.275SS..Hα-helixtrans-69.9-33-179.8-55.1-175.4000110.2F75 R76 S80 S81F75-I78 HydrophobicContact CD1-CD1 3.84Å; F75-I78 WeakPolarHBondContact O-CB 3.46Å; F75-I78 PolarHBondContact O-N 3.48Å; R76-I78 VanDerWaalsContact C-N 3.35Å; R76-I78 PolarHBondContact O-N 3Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.5Å; I78-S81 PolarHBondContact O-OG 3.38Å
79T69.8Low77.7Confident4 Ų455.5 Ų55.53%0.02528%0.275CS..Hα-helixtrans-71.7-23.2-173.9-17.70000113.7T69 F75 R76 T77 S81 Y82 Y83T69-T79 VanDerWaalsContact CB-CG2 3.45Å; T69-T79 HydrophobicContact CG2-CG2 3.31Å; F75-T79 PolarHBondContact O-N 3.05Å; F75-T79 PolarHBondContact O-OG1 2.83Å; R76-T79 WeakPolarHBondContact CA-OG1 3.48Å; R76-T79 PolarHBondContact O-N 3.19Å; R76-T79 PolarHBondContact O-OG1 3.14Å; T77-T79 VanDerWaalsContact C-N 3.29Å; T77-T79 PolarHBondContact O-N 2.93Å; T79-S81 PolarHBondContact O-N 3.43Å; T79-S81 VanDerWaalsContact O-N 3.11Å; T79-Y82 WeakPolarHBondContact O-CB 3.47Å; T79-Y82 PolarHBondContact O-N 2.76Å; T79-Y83 VanDerWaalsContact O-CD2 3.29Å; T79-Y83 WeakPolarHBondContact O-CD2 3.28Å
80S74.8Confident78.3Confident37 Ų3755.7 Ų55.726%0.25928%0.276SS..Hα-helixtrans-52-37-177.360.90000114T77 I78 Y82 Y83T77-S80 PolarHBondContact O-OG 2.85Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.5Å; S80-Y82 VanDerWaalsContact C-N 3.27Å; S80-Y82 PolarHBondContact O-N 3.12Å; S80-Y83 PolarHBondContact O-N 2.94Å
81S81.1Confident79.2Confident79 Ų7955.5 Ų55.555%0.55227%0.274SS*.Hα-helixtrans-66.3-25.2178.762.70000114I78 T79I78-S81 PolarHBondContact O-OG 3.38Å; T79-S81 PolarHBondContact O-N 3.43Å; T79-S81 VanDerWaalsContact O-N 3.11Å
82Y86.4Confident80.7Confident59 Ų5955.3 Ų55.323%0.23127%0.272CS..Hα-helixtrans-80.5-24.1-177-64.9-87.5000113.2K15 V48 W67 T79 S80 R84K15-Y82 WeakPolarHBondContact CE-O 3.48Å; K15-Y82 PolarHBondContact NZ-O 2.81Å; V48-Y82 HydrophobicContact CB-CE1 4.12Å; V48-Y82 HydrophobicContact CB-CE2 4.29Å; V48-Y82 HydrophobicContact CG1-CD1 4.07Å; V48-Y82 HydrophobicContact CG1-CE1 3.81Å; V48-Y82 HydrophobicContact CG2-CD2 3.93Å; V48-Y82 HydrophobicContact CG2-CE1 4.15Å; V48-Y82 HydrophobicContact CG2-CE2 3.5Å; V48-Y82 HydrophobicContact CG2-CG 4.4Å; W67-Y82 HydrophobicContact CD2-CD1 4.02Å; W67-Y82 HydrophobicContact CD2-CE1 4.42Å; W67-Y82 AromaticContact CE3-CD1 3.53Å; W67-Y82 HydrophobicContact CE3-CD1 3.53Å; W67-Y82 AromaticContact CE3-CE1 3.51Å; W67-Y82 HydrophobicContact CE3-CE1 3.51Å; W67-Y82 HydrophobicContact CH2-CE1 4.31Å; W67-Y82 AromaticContact CZ3-CD1 3.88Å; W67-Y82 HydrophobicContact CZ3-CD1 3.88Å; W67-Y82 AromaticContact CZ3-CE1 3.45Å; W67-Y82 HydrophobicContact CZ3-CE1 3.45Å; W67-Y82 VanDerWaalsContact CZ3-CE1 3.45Å; T79-Y82 WeakPolarHBondContact O-CB 3.47Å; T79-Y82 PolarHBondContact O-N 2.76Å; S80-Y82 VanDerWaalsContact C-N 3.27Å; S80-Y82 PolarHBondContact O-N 3.12Å; Y82-R84 VanDerWaalsContact C-N 3.26Å; Y82-R84 PolarHBondContact O-N 3.08Å
83Y89.6Confident82.2Confident0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-63-33173.9-71.4-96.7000112L17 I19 T79 S80 G85 A86 I89 E110 I111 A115L17-Y83 HydrophobicContact CD2-CD1 4Å; L17-Y83 HydrophobicContact CD2-CD2 4.16Å; L17-Y83 HydrophobicContact CD2-CE1 4.2Å; L17-Y83 HydrophobicContact CD2-CE2 4.4Å; L17-Y83 HydrophobicContact CD2-CG 3.98Å; I19-Y83 HydrophobicContact CD1-CE1 4.04Å; I19-Y83 HydrophobicContact CG2-CE1 4.3Å; T79-Y83 VanDerWaalsContact O-CD2 3.29Å; T79-Y83 WeakPolarHBondContact O-CD2 3.28Å; S80-Y83 PolarHBondContact O-N 2.94Å; Y83-G85 PolarHBondContact O-N 3.25Å; Y83-A86 WeakPolarHBondContact O-CB 3.2Å; Y83-A86 PolarHBondContact O-N 2.97Å; Y83-A86 VanDerWaalsContact O-N 3.16Å; Y83-I89 HydrophobicContact CD1-CD1 3.68Å; Y83-I89 HydrophobicContact CE1-CD1 4.2Å; Y83-E110 HydrophobicContact CE1-CB 4.36Å; Y83-E110 PolarHBondContact OH-OE2 3.37Å; Y83-I111 HydrophobicContact CD1-CG1 4.32Å; Y83-I111 HydrophobicContact CE1-CG1 3.82Å; Y83-A115 HydrophobicContact CD1-CB 4.38Å
84R87.4Confident84.1Confident198 Ų19847.1 Ų47.175%0.74723%0.234SC*.THydrogen-bonded Turntrans-65.8128.1-179.7-169.4170.5174.779.10.9110.8K15 Y82 A86K15-R84 PolarHBondContact NZ-O 3.07Å; Y82-R84 VanDerWaalsContact C-N 3.26Å; Y82-R84 PolarHBondContact O-N 3.08Å; R84-A86 PolarHBondContact O-N 3.41Å
85G88.4Confident85.9Confident38 Ų3838.8 Ų38.839%0.39220%0.202SC..THydrogen-bonded Turntrans72.57.7-178.100000114.8Y83 H87Y83-G85 PolarHBondContact O-N 3.25Å; G85-H87 PolarHBondContact O-N 3.06Å; G85-H87 PolarHBondContact O-ND1 2.97Å
86A94.6Very high87.6Confident5 Ų537.4 Ų37.44%0.04120%0.199CC..  trans-64.3131.1168.500000109.4Y83 R84 I89 V119Y83-A86 WeakPolarHBondContact O-CB 3.2Å; Y83-A86 PolarHBondContact O-N 2.97Å; Y83-A86 VanDerWaalsContact O-N 3.16Å; R84-A86 PolarHBondContact O-N 3.41Å; A86-I89 HydrophobicContact CB-CD1 4.25Å; A86-I89 HydrophobicContact CB-CG1 3.97Å; A86-V119 HydrophobicContact CB-CG2 4.41Å; A86-V119 WeakPolarHBondContact O-CG2 3.26Å
87H96.3Very high89.2Confident53 Ų5337.8 Ų37.825%0.24521%0.205CC..SBendtrans-83.4-35.4175.8-63.380.2000110.6F14 K15 G85 N120 I174 R177F14-H87 HydrophobicContact CB-CB 4.45Å; K15-H87 WeakPolarHBondContact CB-ND1 3.3Å; K15-H87 PolarHBondContact N-ND1 3.07Å; K15-H87 PolarHBondContact O-N 3.03Å; G85-H87 PolarHBondContact O-N 3.06Å; G85-H87 PolarHBondContact O-ND1 2.97Å; H87-N120 PolarHBondContact O-N 3.4Å; H87-N120 VanDerWaalsContact O-N 3.11Å; H87-I174 HydrophobicContact CB-CD1 3.94Å; H87-I174 HydrophobicContact CB-CG1 4.37Å; H87-I174 HydrophobicContact CB-CG2 3.93Å; H87-R177 PolarHBondContact O-NH1 2.88Å
88G97Very high90.9Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-147.7154.8171.200000113K15 L16 L17 N120K15-G88 PolarHBondContact O-N 2.65Å; L16-G88 WeakPolarHBondContact CA-O 3.15Å; L17-G88 PolarHBondContact N-O 3.42Å; L17-G88 VanDerWaalsContact N-O 3.13Å; G88-N120 CarbonylContact C-O 3.33Å; G88-N120 WeakPolarHBondContact CA-O 3.09Å
89I97.4Very high92.4Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-130.1128.7-177.7-57.8178.2000108.5L17 I19 Y83 A86 I111 A115 V119 N120 K121 L122 M170L17-I89 HydrophobicContact CB-CG1 4.16Å; L17-I89 HydrophobicContact CB-CG2 4.45Å; L17-I89 CarbonylContact O-C 3.52Å; L17-I89 WeakPolarHBondContact O-CA 3.27Å; I19-I89 HydrophobicContact CD1-CG2 3.8Å; I19-I89 HydrophobicContact CG1-CG2 3.85Å; I19-I89 HydrophobicContact CG2-CG2 4.25Å; Y83-I89 HydrophobicContact CD1-CD1 3.68Å; Y83-I89 HydrophobicContact CE1-CD1 4.2Å; A86-I89 HydrophobicContact CB-CD1 4.25Å; A86-I89 HydrophobicContact CB-CG1 3.97Å; I89-I111 HydrophobicContact CB-CD1 4.07Å; I89-I111 HydrophobicContact CD1-CB 4.45Å; I89-I111 HydrophobicContact CD1-CD1 4.33Å; I89-I111 HydrophobicContact CD1-CG1 3.87Å; I89-I111 HydrophobicContact CD1-CG2 3.98Å; I89-I111 HydrophobicContact CG2-CD1 3.65Å; I89-I111 HydrophobicContact CG2-CG1 4.05Å; I89-A115 HydrophobicContact CD1-CB 3.83Å; I89-V119 HydrophobicContact CD1-CG1 4.44Å; I89-V119 HydrophobicContact CD1-CG2 3.92Å; I89-V119 HydrophobicContact CG1-CG2 3.74Å; I89-N120 PolarHBondContact N-O 3.1Å; I89-K121 WeakPolarHBondContact O-CA 3.28Å; I89-L122 PolarHBondContact O-N 2.57Å; I89-M170 VanDerWaalsContact O-CE 3.24Å; I89-M170 WeakPolarHBondContact O-CE 3.43Å
90I98.1Very high93.7Very high3 Ų336.9 Ų36.92%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-104.8117.2177.3-53.9179000107.3L17 L18 I19 V92 L122 V124 F167 M170L17-I90 PolarHBondContact O-N 3Å; L18-I90 HydrophobicContact CD2-CB 3.7Å; L18-I90 HydrophobicContact CD2-CD1 3.85Å; L18-I90 HydrophobicContact CD2-CG1 4.15Å; L18-I90 HydrophobicContact CD2-CG2 4.25Å; I19-I90 PolarHBondContact N-O 2.8Å; I90-V92 HydrophobicContact CG2-CG2 4.09Å; I90-L122 WeakPolarHBondContact CA-O 3.47Å; I90-L122 HydrophobicContact CD1-CD2 4.23Å; I90-L122 HydrophobicContact CG1-CB 4.36Å; I90-L122 HydrophobicContact CG1-CD2 4.16Å; I90-L122 HydrophobicContact CG2-CD2 4.19Å; I90-L122 HydrophobicContact CG2-CG 4.4Å; I90-V124 HydrophobicContact CG2-CB 4.09Å; I90-V124 HydrophobicContact CG2-CG2 3.48Å; I90-V124 VanDerWaalsContact CG2-CG2 3.48Å; I90-F167 HydrophobicContact CD1-CD1 3.86Å; I90-F167 HydrophobicContact CD1-CE1 3.82Å; I90-F167 HydrophobicContact CD1-CZ 4.49Å; I90-M170 HydrophobicContact CD1-CB 4.38Å; I90-M170 HydrophobicContact CG1-CE 3.74Å; I90-M170 HydrophobicContact CG1-CG 4.4Å
91V97.6Very high94.8Very high1 Ų136 Ų361%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-94.1119176.6-169.20000108.1I19 V104 W107 L108 I111 L122 L123 V124I19-V91 HydrophobicContact CD1-CG2 3.99Å; I19-V91 HydrophobicContact CG1-CB 4.31Å; I19-V91 HydrophobicContact CG1-CG1 4.27Å; I19-V91 HydrophobicContact CG1-CG2 3.93Å; V91-V104 HydrophobicContact CG1-CG1 4.07Å; V91-V104 HydrophobicContact CG1-CG2 4.37Å; V91-W107 HydrophobicContact CG1-CB 3.88Å; V91-W107 HydrophobicContact CG1-CG 4.43Å; V91-L108 HydrophobicContact CG2-CD2 4.3Å; V91-I111 HydrophobicContact CG2-CD1 3.69Å; V91-L122 PolarHBondContact N-O 3.06Å; V91-L123 HydrophobicContact CB-CD1 4.28Å; V91-L123 HydrophobicContact CG1-CD1 4.46Å; V91-V124 PolarHBondContact O-N 3.45Å
92V98.1Very high95.5Very high1 Ų136.6 Ų36.61%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-109.8131.1-175-170.70000109.8I19 G20 V24 K26 L29 I90 V124 N126I19-V92 PolarHBondContact O-N 3.11Å; G20-V92 WeakPolarHBondContact CA-O 3.14Å; V24-V92 HydrophobicContact CB-CG1 4.38Å; V24-V92 HydrophobicContact CG2-CB 4Å; V24-V92 HydrophobicContact CG2-CG1 3.85Å; K26-V92 HydrophobicContact CG-CB 3.97Å; K26-V92 HydrophobicContact CG-CG1 4.47Å; K26-V92 HydrophobicContact CG-CG2 4.06Å; L29-V92 HydrophobicContact CD1-CG1 3.87Å; L29-V92 HydrophobicContact CD1-CG2 4.1Å; I90-V92 HydrophobicContact CG2-CG2 4.09Å; V92-V124 WeakPolarHBondContact CA-O 3.48Å; V92-V124 HydrophobicContact CG1-CG1 4.39Å; V92-V124 HydrophobicContact CG2-CB 4.38Å; V92-N126 HydrophobicContact CG1-CB 3.86Å
93Y98.4Very high95.9Very high0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-124.2169.6166.175.6-85000109.8V95 F101 V104 L123 V124 G125 N126 V136 A141 F152Y93-V95 HydrophobicContact CE2-CG1 4.06Å; Y93-F101 AromaticContact CD1-CD2 3.92Å; Y93-F101 HydrophobicContact CD1-CD2 3.92Å; Y93-F101 HydrophobicContact CD2-CB 3.74Å; Y93-F101 AromaticContact CD2-CD2 3.79Å; Y93-F101 HydrophobicContact CD2-CD2 3.79Å; Y93-F101 HydrophobicContact CD2-CG 4.22Å; Y93-F101 AromaticContact CE1-CD2 3.8Å; Y93-F101 HydrophobicContact CE1-CD2 3.8Å; Y93-F101 HydrophobicContact CE1-CE2 4.16Å; Y93-F101 HydrophobicContact CE2-CB 4.2Å; Y93-F101 AromaticContact CE2-CD2 3.7Å; Y93-F101 HydrophobicContact CE2-CD2 3.7Å; Y93-F101 HydrophobicContact CE2-CG 4.29Å; Y93-F101 HydrophobicContact CG-CB 4.2Å; Y93-F101 AromaticContact CG-CD2 3.91Å; Y93-F101 HydrophobicContact CG-CD2 3.91Å; Y93-F101 AromaticContact CZ-CD2 3.71Å; Y93-V104 HydrophobicContact CD1-CG2 4.25Å; Y93-V104 HydrophobicContact CG-CG2 4.36Å; Y93-L123 HydrophobicContact CD1-CD1 3.88Å; Y93-L123 HydrophobicContact CD1-CG 4.31Å; Y93-L123 HydrophobicContact CE1-CD1 4.14Å; Y93-L123 HydrophobicContact CE1-CD2 4.29Å; Y93-L123 HydrophobicContact CE1-CG 4.06Å; Y93-V124 VanDerWaalsContact CD1-O 3.3Å; Y93-V124 WeakPolarHBondContact CD1-O 3.48Å; Y93-V124 PolarHBondContact N-O 2.81Å; Y93-G125 VanDerWaalsContact CZ-CA 3.41Å; Y93-N126 PolarHBondContact O-N 3.05Å; Y93-V136 HydrophobicContact CD2-CG2 4.49Å; Y93-V136 HydrophobicContact CE2-CB 3.96Å; Y93-V136 HydrophobicContact CE2-CG1 3.75Å; Y93-V136 HydrophobicContact CE2-CG2 4.13Å; Y93-A141 WeakPolarHBondContact OH-CB 3.11Å; Y93-F152 AromaticContact CE1-CE2 3.91Å; Y93-F152 HydrophobicContact CE1-CE2 3.91Å; Y93-F152 WeakPolarHBondContact OH-CE2 3.31Å; Y93-F152 WeakPolarHBondContact OH-CZ 3.18Å
94D98.1Very high96.2Very high8 Ų835 Ų354%0.04317%0.174CC..EExtended strand (participates in β ladder)trans-102.9124.7176.2175.8-5.5000109.7V24 T96 D97 S100 K127V24-D94 HydrophobicContact CB-CB 4.24Å; V24-D94 HydrophobicContact CG1-CB 4.22Å; D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.84Å; D94-T96 VanDerWaalsContact O-N 3.1Å; D94-T96 WeakPolarHBondContact OD1-CA 3.35Å; D94-T96 WeakPolarHBondContact OD1-CB 3.26Å; D94-T96 PolarHBondContact OD1-N 2.7Å; D94-T96 PolarHBondContact OD1-OG1 3.18Å; D94-T96 PolarHBondContact OD2-OG1 2.84Å; D94-D97 HydrophobicContact CB-CB 4Å; D94-D97 PolarHBondContact O-N 2.85Å; D94-D97 VanDerWaalsContact O-O 3.1Å; D94-S100 PolarHBondContact N-OG 2.76Å; D94-S100 PolarHBondContact O-OG 2.95Å; D94-K127 VanDerWaalsContact OD2-CD 3.26Å; D94-K127 WeakPolarHBondContact OD2-CD 3.39Å; D94-K127 WeakPolarHBondContact OD2-CE 3.38Å; D94-K127 IonicContact OD2-NZ 2.76Å; D94-K127 PolarHBondContact OD2-NZ 2.8Å
95V98.2Very high96.6Very high0 Ų031.9 Ų31.90%017%0.166CC..THydrogen-bonded Turntrans-64.4-16.5-179.2-56.70000113.3Y93 N126 K127 K134 L135 V136 E154Y93-V95 HydrophobicContact CE2-CG1 4.06Å; V95-N126 WeakPolarHBondContact CG1-O 3.24Å; V95-N126 WeakPolarHBondContact CG2-O 3.43Å; V95-N126 PolarHBondContact N-O 2.8Å; V95-K127 WeakPolarHBondContact CG2-O 3.49Å; V95-K134 HydrophobicContact CB-CG 4.26Å; V95-K134 HydrophobicContact CG2-CG 4.32Å; V95-L135 PolarHBondContact O-N 2.96Å; V95-V136 PolarHBondContact O-N 3.25Å; V95-E154 HydrophobicContact CG1-CG 4.27Å
96T97.8Very high96.8Very high30 Ų3033.9 Ų33.918%0.18417%0.165CC..THydrogen-bonded Turntrans-94.40.6176.871.40000113.5D94 L130 K133 L135D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.84Å; D94-T96 VanDerWaalsContact O-N 3.1Å; D94-T96 WeakPolarHBondContact OD1-CA 3.35Å; D94-T96 WeakPolarHBondContact OD1-CB 3.26Å; D94-T96 PolarHBondContact OD1-N 2.7Å; D94-T96 PolarHBondContact OD1-OG1 3.18Å; D94-T96 PolarHBondContact OD2-OG1 2.84Å; T96-L130 HydrophobicContact CG2-CB 3.61Å; T96-L130 HydrophobicContact CG2-CD1 3.95Å; T96-L130 HydrophobicContact CG2-CG 4.42Å; T96-K133 WeakPolarHBondContact CA-O 3.34Å; T96-K133 WeakPolarHBondContact CB-O 3.5Å; T96-K133 HydrophobicContact CG2-CB 3.83Å; T96-K133 WeakPolarHBondContact CG2-O 2.91Å; T96-L135 VanDerWaalsContact O-CD1 3.23Å; T96-L135 WeakPolarHBondContact O-CD1 3.35Å
97D97.4Very high96.7Very high60 Ų6033.7 Ų33.732%0.32116%0.164SC..  trans-130.9104.1-178.8-179.2-6.2000110.8D94 E99 S100 F101D94-D97 HydrophobicContact CB-CB 4Å; D94-D97 PolarHBondContact O-N 2.85Å; D94-D97 VanDerWaalsContact O-O 3.1Å; D97-E99 VanDerWaalsContact C-N 3.29Å; D97-E99 PolarHBondContact O-N 2.88Å; D97-E99 WeakPolarHBondContact OD1-CB 3.35Å; D97-E99 PolarHBondContact OD1-N 3.36Å; D97-S100 PolarHBondContact O-N 2.99Å; D97-S100 PolarHBondContact O-OG 3.04Å; D97-S100 PolarHBondContact OD1-N 2.82Å; D97-F101 PolarHBondContact O-N 2.84Å
98Q96.9Very high96.6Very high71 Ų7131.9 Ų31.933%0.33216%0.156SC..Hα-helixtrans-64.1-31.9179.5-173.36159.500113F101 N102 L135Q98-F101 PolarHBondContact O-N 2.65Å; Q98-N102 PolarHBondContact NE2-OD1 3.26Å; Q98-N102 PolarHBondContact O-N 3.46Å; Q98-N102 PolarHBondContact O-ND2 2.84Å; Q98-N102 PolarHBondContact O-OD1 3.43Å; Q98-L135 PolarHBondContact OE1-O 2.86Å
99E96.6Very high96.4Very high130 Ų13037.6 Ų37.661%0.60718%0.182SC*.Hα-helixtrans-68.2-42.2179.6-172.8173.2-179.100110.4D97 F101 N102 N103D97-E99 VanDerWaalsContact C-N 3.29Å; D97-E99 PolarHBondContact O-N 2.88Å; D97-E99 WeakPolarHBondContact OD1-CB 3.35Å; D97-E99 PolarHBondContact OD1-N 3.36Å; E99-F101 PolarHBondContact O-N 2.78Å; E99-N102 WeakPolarHBondContact O-CB 3.43Å; E99-N102 PolarHBondContact O-N 3.2Å; E99-N102 VanDerWaalsContact O-N 3.08Å; E99-N103 PolarHBondContact O-N 3.07Å; E99-N103 PolarHBondContact O-ND2 2.86Å
100S97Very high96.1Very high2 Ų238.8 Ų38.81%0.01419%0.188CC..Hα-helixtrans-57.7-37175.581.60000112.7D94 D97D94-S100 PolarHBondContact N-OG 2.76Å; D94-S100 PolarHBondContact O-OG 2.95Å; D97-S100 PolarHBondContact O-N 2.99Å; D97-S100 PolarHBondContact O-OG 3.04Å; D97-S100 PolarHBondContact OD1-N 2.82Å
101F98.1Very high95.8Very high18 Ų1838.7 Ų38.78%0.07919%0.187CC..Hα-helixtrans-71.7-42175-179.2-106.1000112.1Y93 D97 Q98 E99 N103 V104 L123 V136 A141 F144Y93-F101 AromaticContact CD1-CD2 3.92Å; Y93-F101 HydrophobicContact CD1-CD2 3.92Å; Y93-F101 HydrophobicContact CD2-CB 3.74Å; Y93-F101 AromaticContact CD2-CD2 3.79Å; Y93-F101 HydrophobicContact CD2-CD2 3.79Å; Y93-F101 HydrophobicContact CD2-CG 4.22Å; Y93-F101 AromaticContact CE1-CD2 3.8Å; Y93-F101 HydrophobicContact CE1-CD2 3.8Å; Y93-F101 HydrophobicContact CE1-CE2 4.16Å; Y93-F101 HydrophobicContact CE2-CB 4.2Å; Y93-F101 AromaticContact CE2-CD2 3.7Å; Y93-F101 HydrophobicContact CE2-CD2 3.7Å; Y93-F101 HydrophobicContact CE2-CG 4.29Å; Y93-F101 HydrophobicContact CG-CB 4.2Å; Y93-F101 AromaticContact CG-CD2 3.91Å; Y93-F101 HydrophobicContact CG-CD2 3.91Å; Y93-F101 AromaticContact CZ-CD2 3.71Å; D97-F101 PolarHBondContact O-N 2.84Å; Q98-F101 PolarHBondContact O-N 2.65Å; E99-F101 PolarHBondContact O-N 2.78Å; F101-N103 PolarHBondContact O-N 3.09Å; F101-V104 HydrophobicContact CD2-CG2 4.42Å; F101-V104 WeakPolarHBondContact O-CB 3.34Å; F101-V104 VanDerWaalsContact O-CG2 3.27Å; F101-V104 WeakPolarHBondContact O-CG2 3.15Å; F101-V104 PolarHBondContact O-N 3.2Å; F101-V104 VanDerWaalsContact O-N 3.11Å; F101-L123 HydrophobicContact CE2-CD2 4.46Å; F101-V136 HydrophobicContact CB-CG1 4.32Å; F101-V136 HydrophobicContact CB-CG2 3.76Å; F101-V136 HydrophobicContact CD1-CG1 4.07Å; F101-V136 HydrophobicContact CD2-CG1 3.93Å; F101-V136 HydrophobicContact CE1-CG1 4.37Å; F101-V136 HydrophobicContact CE2-CG1 4.25Å; F101-V136 HydrophobicContact CG-CG1 3.83Å; F101-V136 HydrophobicContact CG-CG2 4.17Å; F101-V136 HydrophobicContact CZ-CG1 4.45Å; F101-A141 HydrophobicContact CE2-CB 3.72Å; F101-A141 HydrophobicContact CZ-CB 4.1Å; F101-F144 HydrophobicContact CE2-CD1 4.28Å; F101-F144 HydrophobicContact CZ-CB 4.03Å; F101-F144 HydrophobicContact CZ-CD1 4.15Å; F101-F144 HydrophobicContact CZ-CG 4.08Å
102N96.5Very high95.6Very high91 Ų9143.9 Ų43.949%0.48722%0.215SC..Hα-helixtrans-60.6-36.3176.8-66.6-18.6000111.7Q98 E99 V104Q98-N102 PolarHBondContact NE2-OD1 3.26Å; Q98-N102 PolarHBondContact O-N 3.46Å; Q98-N102 PolarHBondContact O-ND2 2.84Å; Q98-N102 PolarHBondContact O-OD1 3.43Å; E99-N102 WeakPolarHBondContact O-CB 3.43Å; E99-N102 PolarHBondContact O-N 3.2Å; E99-N102 VanDerWaalsContact O-N 3.08Å; N102-V104 VanDerWaalsContact C-N 3.26Å; N102-V104 PolarHBondContact O-N 3.24Å
103N95.6Very high95.2Very high25 Ų2552 Ų5213%0.13425%0.246CC..THydrogen-bonded Turntrans-72.5-12.7178.9-71.4-23.1000113.9D21 E99 F101 K105 Q106 W107D21-N103 WeakPolarHBondContact OD2-CB 3.47Å; D21-N103 PolarHBondContact OD2-ND2 3.46Å; E99-N103 PolarHBondContact O-N 3.07Å; E99-N103 PolarHBondContact O-ND2 2.86Å; F101-N103 PolarHBondContact O-N 3.09Å; N103-K105 PolarHBondContact O-N 3.36Å; N103-K105 VanDerWaalsContact O-N 3.15Å; N103-Q106 WeakPolarHBondContact O-CB 3.38Å; N103-Q106 PolarHBondContact O-N 3.48Å; N103-W107 PolarHBondContact O-N 3.46Å
104V95.8Very high94.9Very high1 Ų156.6 Ų56.61%0.00626%0.264CS..Hα-helixtrans-52.9-37.6173.91720000111.5V91 Y93 F101 N102 Q106 W107 L108 L123 F144V91-V104 HydrophobicContact CG1-CG1 4.07Å; V91-V104 HydrophobicContact CG1-CG2 4.37Å; Y93-V104 HydrophobicContact CD1-CG2 4.25Å; Y93-V104 HydrophobicContact CG-CG2 4.36Å; F101-V104 HydrophobicContact CD2-CG2 4.42Å; F101-V104 WeakPolarHBondContact O-CB 3.34Å; F101-V104 VanDerWaalsContact O-CG2 3.27Å; F101-V104 WeakPolarHBondContact O-CG2 3.15Å; F101-V104 PolarHBondContact O-N 3.2Å; F101-V104 VanDerWaalsContact O-N 3.11Å; N102-V104 VanDerWaalsContact C-N 3.26Å; N102-V104 PolarHBondContact O-N 3.24Å; V104-Q106 VanDerWaalsContact C-N 3.29Å; V104-Q106 PolarHBondContact O-N 3.3Å; V104-W107 PolarHBondContact O-N 2.92Å; V104-L108 HydrophobicContact CG1-CD1 4Å; V104-L108 HydrophobicContact CG1-CG 4.24Å; V104-L108 WeakPolarHBondContact O-CG 3.32Å; V104-L108 PolarHBondContact O-N 3.44Å; V104-L123 HydrophobicContact CG1-CD1 3.72Å; V104-L123 HydrophobicContact CG2-CD1 4.06Å; V104-F144 HydrophobicContact CB-CE1 4.47Å; V104-F144 HydrophobicContact CG1-CE1 3.69Å; V104-F144 HydrophobicContact CG1-CZ 4.19Å
105K94.2Very high94.6Very high132 Ų13257.1 Ų57.157%0.57427%0.269SS*.Hα-helixtrans-59.5-38.6176.6-69.7179179.9174.90112.5N103 Q109 F144N103-K105 PolarHBondContact O-N 3.36Å; N103-K105 VanDerWaalsContact O-N 3.15Å; K105-Q109 WeakPolarHBondContact O-CG 3.23Å; K105-Q109 PolarHBondContact O-N 2.97Å; K105-Q109 VanDerWaalsContact O-N 3.14Å; K105-F144 HydrophobicContact CG-CE2 4.01Å; K105-F144 HydrophobicContact CG-CZ 3.93Å
106Q92.8Very high94.2Very high81 Ų8160 Ų6038%0.37929%0.29SS..Hα-helixtrans-68.7-42.7177-59.6-179.99.200110.8R76 N103 V104 L108 Q109 E110R76-Q106 VanDerWaalsContact NH1-OE1 3.09Å; N103-Q106 WeakPolarHBondContact O-CB 3.38Å; N103-Q106 PolarHBondContact O-N 3.48Å; V104-Q106 VanDerWaalsContact C-N 3.29Å; V104-Q106 PolarHBondContact O-N 3.3Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 3.47Å; Q106-Q109 WeakPolarHBondContact O-CB 3.46Å; Q106-Q109 PolarHBondContact O-N 3.29Å; Q106-Q109 VanDerWaalsContact O-N 3.14Å; Q106-E110 PolarHBondContact O-N 3.24Å
107W93.7Very high93.5Very high1 Ų167.8 Ų67.80%0.00432%0.324CS..Hα-helixtrans-61.6-38.6176.3-69.4113.3000112.4I19 G20 D21 R76 V91 N103 V104 E110 I111I19-W107 HydrophobicContact CB-CE3 4.08Å; I19-W107 HydrophobicContact CB-CZ3 4.4Å; I19-W107 HydrophobicContact CD1-CB 3.89Å; I19-W107 HydrophobicContact CD1-CD2 4.47Å; I19-W107 HydrophobicContact CD1-CE3 4.02Å; I19-W107 HydrophobicContact CD1-CG 4.47Å; I19-W107 HydrophobicContact CG1-CB 4.46Å; I19-W107 HydrophobicContact CG1-CE3 4.37Å; G20-W107 VanDerWaalsContact C-CE2 3.47Å; G20-W107 VanDerWaalsContact O-CZ2 3.31Å; G20-W107 WeakPolarHBondContact O-CZ2 3.12Å; D21-W107 PolarHBondContact OD1-NE1 2.89Å; R76-W107 HydrophobicContact CG-CH2 3.99Å; R76-W107 HydrophobicContact CG-CZ3 4.31Å; V91-W107 HydrophobicContact CG1-CB 3.88Å; V91-W107 HydrophobicContact CG1-CG 4.43Å; N103-W107 PolarHBondContact O-N 3.46Å; V104-W107 PolarHBondContact O-N 2.92Å; W107-E110 WeakPolarHBondContact CZ3-OE2 3.44Å; W107-E110 WeakPolarHBondContact O-CB 3.24Å; W107-E110 PolarHBondContact O-N 2.94Å; W107-I111 WeakPolarHBondContact O-CG1 3.39Å; W107-I111 PolarHBondContact O-N 3.31Å
108L93.9Very high93Very high15 Ų1570.8 Ų70.88%0.07934%0.34CS..Hα-helixtrans-63.9-40.4173.7-68.4169.2000112V91 V104 Q106 E110 I111 D112 K121 F144 L148 I150V91-L108 HydrophobicContact CG2-CD2 4.3Å; V104-L108 HydrophobicContact CG1-CD1 4Å; V104-L108 HydrophobicContact CG1-CG 4.24Å; V104-L108 WeakPolarHBondContact O-CG 3.32Å; V104-L108 PolarHBondContact O-N 3.44Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 3.47Å; L108-E110 VanDerWaalsContact C-N 3.3Å; L108-E110 PolarHBondContact O-N 2.84Å; L108-I111 HydrophobicContact CD2-CD1 4.3Å; L108-I111 WeakPolarHBondContact O-CB 3.49Å; L108-I111 PolarHBondContact O-N 3.32Å; L108-D112 PolarHBondContact O-N 2.67Å; L108-K121 HydrophobicContact CD2-CD 4.38Å; L108-F144 HydrophobicContact CD1-CE1 4.19Å; L108-F144 HydrophobicContact CD1-CZ 3.96Å; L108-L148 HydrophobicContact CD1-CD1 3.39Å; L108-I150 HydrophobicContact CD2-CD1 4.46Å
109Q92.6Very high92.9Very high120 Ų12068 Ų6856%0.56133%0.328SS*.Hα-helixtrans-63.9-34174.3-70.1171-0.100112.5K105 Q106 D112 R113K105-Q109 WeakPolarHBondContact O-CG 3.23Å; K105-Q109 PolarHBondContact O-N 2.97Å; K105-Q109 VanDerWaalsContact O-N 3.14Å; Q106-Q109 WeakPolarHBondContact O-CB 3.46Å; Q106-Q109 PolarHBondContact O-N 3.29Å; Q106-Q109 VanDerWaalsContact O-N 3.14Å; Q109-D112 PolarHBondContact O-N 3.4Å; Q109-R113 WeakPolarHBondContact O-CB 3.31Å; Q109-R113 PolarHBondContact O-N 2.99Å; Q109-R113 VanDerWaalsContact O-N 3.08Å
110E90.4Very high92.9Very high24 Ų2462.9 Ų62.911%0.11230%0.304CS..Hα-helixtrans-66-41.5172.5-71.7-170.6-161.200111.9R76 Y83 Q106 W107 L108 D112 R113 Y114R76-E110 WeakPolarHBondContact CD-OE1 3.48Å; R76-E110 IonicContact NE-OE1 2.7Å; R76-E110 IonicContact NH1-OE1 3.28Å; Y83-E110 HydrophobicContact CE1-CB 4.36Å; Y83-E110 PolarHBondContact OH-OE2 3.37Å; Q106-E110 PolarHBondContact O-N 3.24Å; W107-E110 WeakPolarHBondContact CZ3-OE2 3.44Å; W107-E110 WeakPolarHBondContact O-CB 3.24Å; W107-E110 PolarHBondContact O-N 2.94Å; L108-E110 VanDerWaalsContact C-N 3.3Å; L108-E110 PolarHBondContact O-N 2.84Å; E110-D112 VanDerWaalsContact C-N 3.34Å; E110-D112 PolarHBondContact O-N 3.21Å; E110-R113 PolarHBondContact O-N 3.2Å; E110-Y114 HydrophobicContact CB-CD2 4.38Å; E110-Y114 WeakPolarHBondContact O-CD2 3.35Å; E110-Y114 PolarHBondContact O-N 2.94Å
111I92.9Very high93Very high1 Ų165.2 Ų65.21%0.00531%0.314CS..Hα-helixtrans-57.5-50173.7-65.9171.8000109.9I19 Y83 I89 V91 W107 L108 R113 Y114 A115 V119 K121I19-I111 HydrophobicContact CD1-CD1 3.75Å; I19-I111 HydrophobicContact CD1-CG1 3.72Å; Y83-I111 HydrophobicContact CD1-CG1 4.32Å; Y83-I111 HydrophobicContact CE1-CG1 3.82Å; I89-I111 HydrophobicContact CB-CD1 4.07Å; I89-I111 HydrophobicContact CD1-CB 4.45Å; I89-I111 HydrophobicContact CD1-CD1 4.33Å; I89-I111 HydrophobicContact CD1-CG1 3.87Å; I89-I111 HydrophobicContact CD1-CG2 3.98Å; I89-I111 HydrophobicContact CG2-CD1 3.65Å; I89-I111 HydrophobicContact CG2-CG1 4.05Å; V91-I111 HydrophobicContact CG2-CD1 3.69Å; W107-I111 WeakPolarHBondContact O-CG1 3.39Å; W107-I111 PolarHBondContact O-N 3.31Å; L108-I111 HydrophobicContact CD2-CD1 4.3Å; L108-I111 WeakPolarHBondContact O-CB 3.49Å; L108-I111 PolarHBondContact O-N 3.32Å; I111-R113 PolarHBondContact O-N 2.81Å; I111-Y114 PolarHBondContact O-N 3.13Å; I111-A115 HydrophobicContact CG2-CB 3.82Å; I111-A115 WeakPolarHBondContact O-CA 3.36Å; I111-A115 WeakPolarHBondContact O-CB 3.36Å; I111-A115 PolarHBondContact O-N 3.23Å; I111-V119 HydrophobicContact CG2-CG1 3.64Å; I111-K121 HydrophobicContact CD1-CG 4.5Å; I111-K121 HydrophobicContact CG2-CD 4.3Å; I111-K121 HydrophobicContact CG2-CG 4.46Å
112D91.9Very high93Very high111 Ų11164.4 Ų64.459%0.59431%0.311SS*.Hα-helixtrans-63.7-26.1-178.3-64.7-23.2000112.4L108 Q109 E110 K121L108-D112 PolarHBondContact O-N 2.67Å; Q109-D112 PolarHBondContact O-N 3.4Å; E110-D112 VanDerWaalsContact C-N 3.34Å; E110-D112 PolarHBondContact O-N 3.21Å; D112-K121 IonicContact OD1-NZ 2.63Å; D112-K121 PolarHBondContact OD1-NZ 3.29Å
113R91.3Very high93.1Very high172 Ų17260 Ų6065%0.64929%0.287SS*.Hα-helixtrans-82.6-38.3179-172.8178.2-66.6171.82.2113.8Q109 E110 I111Q109-R113 WeakPolarHBondContact O-CB 3.31Å; Q109-R113 PolarHBondContact O-N 2.99Å; Q109-R113 VanDerWaalsContact O-N 3.08Å; E110-R113 PolarHBondContact O-N 3.2Å; I111-R113 PolarHBondContact O-N 2.81Å
114Y91Very high93.2Very high95 Ų9558.9 Ų58.937%0.37328%0.281SS..Hα-helixtrans-118-21.5-166.9-59.4-61.6000114.9E110 I111E110-Y114 HydrophobicContact CB-CD2 4.38Å; E110-Y114 WeakPolarHBondContact O-CD2 3.35Å; E110-Y114 PolarHBondContact O-N 2.94Å; I111-Y114 PolarHBondContact O-N 3.13Å
115A92Very high93.3Very high20 Ų2058.9 Ų58.917%0.16528%0.281CS..SBendtrans-85.6173.3-18000000111.9Y83 I89 I111 V119Y83-A115 HydrophobicContact CD1-CB 4.38Å; I89-A115 HydrophobicContact CD1-CB 3.83Å; I111-A115 HydrophobicContact CG2-CB 3.82Å; I111-A115 WeakPolarHBondContact O-CA 3.36Å; I111-A115 WeakPolarHBondContact O-CB 3.36Å; I111-A115 PolarHBondContact O-N 3.23Å; A115-V119 HydrophobicContact CB-CB 4.24Å; A115-V119 HydrophobicContact CB-CG1 3.75Å
116S89.2Confident93.5Very high61 Ų6152.7 Ų52.743%0.42726%0.255SS..  trans-76.2144.4172.5-54.20000110N118 V119S116-N118 PolarHBondContact O-N 2.86Å; S116-V119 WeakPolarHBondContact O-CB 3.22Å; S116-V119 WeakPolarHBondContact O-CG1 3.49Å; S116-V119 PolarHBondContact O-N 2.94Å
117E84Confident93.8Very high192 Ų19251.6 Ų51.690%0.89725%0.248SC*.THydrogen-bonded Turntrans-50.8-34.7-175.4-67.9-179.4168.900113.6
118N86.6Confident93.9Very high124 Ų12452.7 Ų52.766%0.66326%0.256SS*.THydrogen-bonded Turntrans-93.99.7-175.7-65.2-42.3000114.4S116 N120 R177S116-N118 PolarHBondContact O-N 2.86Å; N118-N120 PolarHBondContact O-N 3Å; N118-R177 WeakPolarHBondContact O-CD 3.43Å; N118-R177 PolarHBondContact O-NH1 3.02Å
119V94.9Very high94Very high12 Ų1254.7 Ų54.77%0.07327%0.267CS..  trans-58133-176.970.40000111.5A86 I89 I111 A115 S116 K121A86-V119 HydrophobicContact CB-CG2 4.41Å; A86-V119 WeakPolarHBondContact O-CG2 3.26Å; I89-V119 HydrophobicContact CD1-CG1 4.44Å; I89-V119 HydrophobicContact CD1-CG2 3.92Å; I89-V119 HydrophobicContact CG1-CG2 3.74Å; I111-V119 HydrophobicContact CG2-CG1 3.64Å; A115-V119 HydrophobicContact CB-CB 4.24Å; A115-V119 HydrophobicContact CB-CG1 3.75Å; S116-V119 WeakPolarHBondContact O-CB 3.22Å; S116-V119 WeakPolarHBondContact O-CG1 3.49Å; S116-V119 PolarHBondContact O-N 2.94Å; V119-K121 HydrophobicContact CG1-CG 4.43Å
120N97Very high94.1Very high22 Ų2251.7 Ų51.712%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-72.3140174.9-7187.9000109.5H87 G88 I89 N118 M170 E173 I174 R177H87-N120 PolarHBondContact O-N 3.4Å; H87-N120 VanDerWaalsContact O-N 3.11Å; G88-N120 CarbonylContact C-O 3.33Å; G88-N120 WeakPolarHBondContact CA-O 3.09Å; I89-N120 PolarHBondContact N-O 3.1Å; N118-N120 PolarHBondContact O-N 3Å; N120-M170 HydrophobicContact CB-SD 3.7Å; N120-E173 PolarHBondContact ND2-O 3.18Å; N120-I174 HydrophobicContact CB-CG1 3.86Å; N120-I174 WeakPolarHBondContact OD1-CA 3.36Å; N120-I174 WeakPolarHBondContact OD1-CG1 3.49Å; N120-R177 WeakPolarHBondContact OD1-CD 3.49Å; N120-R177 PolarHBondContact OD1-NE 3.32Å; N120-R177 PolarHBondContact OD1-NH1 3.44Å
121K97.5Very high94.2Very high51 Ų5155.5 Ų55.522%0.22228%0.28CS..EExtended strand (participates in β ladder)trans-121.4142.3-178.8-57174.7-168-175.90108.5I89 L108 I111 D112 V119 I150 P151I89-K121 WeakPolarHBondContact O-CA 3.28Å; L108-K121 HydrophobicContact CD2-CD 4.38Å; I111-K121 HydrophobicContact CD1-CG 4.5Å; I111-K121 HydrophobicContact CG2-CD 4.3Å; I111-K121 HydrophobicContact CG2-CG 4.46Å; D112-K121 IonicContact OD1-NZ 2.63Å; D112-K121 PolarHBondContact OD1-NZ 3.29Å; V119-K121 HydrophobicContact CG1-CG 4.43Å; K121-I150 HydrophobicContact CB-CB 4.41Å; K121-I150 HydrophobicContact CB-CG2 3.78Å; K121-I150 HydrophobicContact CD-CG2 4.39Å; K121-P151 WeakPolarHBondContact O-CD 3.31Å
122L98.3Very high94.3Very high1 Ų161.9 Ų61.91%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-137.4132.1173.9171.668.7000108.3I89 I90 V91 V124 P151 A166 M170I89-L122 PolarHBondContact O-N 2.57Å; I90-L122 WeakPolarHBondContact CA-O 3.47Å; I90-L122 HydrophobicContact CD1-CD2 4.23Å; I90-L122 HydrophobicContact CG1-CB 4.36Å; I90-L122 HydrophobicContact CG1-CD2 4.16Å; I90-L122 HydrophobicContact CG2-CD2 4.19Å; I90-L122 HydrophobicContact CG2-CG 4.4Å; V91-L122 PolarHBondContact N-O 3.06Å; L122-V124 HydrophobicContact CD2-CG2 3.95Å; L122-V124 HydrophobicContact CG-CG2 3.98Å; L122-P151 HydrophobicContact CD1-CB 3.73Å; L122-P151 WeakPolarHBondContact CD1-O 3.25Å; L122-A166 HydrophobicContact CD2-CB 4.18Å; L122-A166 VanDerWaalsContact CD2-O 3.28Å; L122-A166 WeakPolarHBondContact CD2-O 3.27Å; L122-M170 HydrophobicContact CB-CE 3.36Å; L122-M170 HydrophobicContact CD2-CB 4.34Å
123L98.6Very high94.4Very high0 Ų063.1 Ų63.10%032%0.319CS..EExtended strand (participates in β ladder)trans-93.5132.4171.6-174.663.2000110.1V91 Y93 F101 V104 F144 A145 I150 P151 F152 L153V91-L123 HydrophobicContact CB-CD1 4.28Å; V91-L123 HydrophobicContact CG1-CD1 4.46Å; Y93-L123 HydrophobicContact CD1-CD1 3.88Å; Y93-L123 HydrophobicContact CD1-CG 4.31Å; Y93-L123 HydrophobicContact CE1-CD1 4.14Å; Y93-L123 HydrophobicContact CE1-CD2 4.29Å; Y93-L123 HydrophobicContact CE1-CG 4.06Å; F101-L123 HydrophobicContact CE2-CD2 4.46Å; V104-L123 HydrophobicContact CG1-CD1 3.72Å; V104-L123 HydrophobicContact CG2-CD1 4.06Å; L123-F144 HydrophobicContact CD2-CD1 3.93Å; L123-F144 HydrophobicContact CD2-CE1 4.34Å; L123-A145 HydrophobicContact CD2-CB 4.09Å; L123-I150 HydrophobicContact CB-CD1 4.01Å; L123-P151 PolarHBondContact N-O 2.95Å; L123-F152 HydrophobicContact CB-CD2 4.02Å; L123-F152 HydrophobicContact CD2-CD2 3.91Å; L123-F152 HydrophobicContact CD2-CE2 4.39Å; L123-F152 HydrophobicContact CG-CD2 3.83Å; L123-F152 HydrophobicContact CG-CE2 4.35Å; L123-F152 WeakPolarHBondContact O-CA 3.23Å; L123-F152 WeakPolarHBondContact O-CD2 3.3Å; L123-L153 PolarHBondContact O-N 3.22Å; L123-L153 VanDerWaalsContact O-N 3.12Å
124V98.7Very high94.6Very high1 Ų157.9 Ų57.91%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-127120.8177.91720000110.6L29 I90 V91 V92 Y93 L122 L153 T155 A166L29-V124 HydrophobicContact CD1-CG1 4.05Å; I90-V124 HydrophobicContact CG2-CB 4.09Å; I90-V124 HydrophobicContact CG2-CG2 3.48Å; I90-V124 VanDerWaalsContact CG2-CG2 3.48Å; V91-V124 PolarHBondContact O-N 3.45Å; V92-V124 WeakPolarHBondContact CA-O 3.48Å; V92-V124 HydrophobicContact CG1-CG1 4.39Å; V92-V124 HydrophobicContact CG2-CB 4.38Å; Y93-V124 VanDerWaalsContact CD1-O 3.3Å; Y93-V124 WeakPolarHBondContact CD1-O 3.48Å; Y93-V124 PolarHBondContact N-O 2.81Å; L122-V124 HydrophobicContact CD2-CG2 3.95Å; L122-V124 HydrophobicContact CG-CG2 3.98Å; V124-L153 VanDerWaalsContact CA-O 3.3Å; V124-L153 WeakPolarHBondContact CA-O 3.48Å; V124-T155 HydrophobicContact CG1-CG2 3.65Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.45Å; V124-A166 HydrophobicContact CG2-CB 4.24Å
125G98.5Very high94.8Very high0 Ų058.4 Ų58.40%031%0.31CS..EExtended strand (participates in β ladder)trans-93.7102.8169.100000110.4Y93 L153 E154 T155Y93-G125 VanDerWaalsContact CZ-CA 3.41Å; G125-L153 PolarHBondContact N-O 2.7Å; G125-E154 CarbonylContact O-C 3.56Å; G125-E154 WeakPolarHBondContact O-CA 3.42Å; G125-T155 PolarHBondContact O-N 3.24Å
126N98.3Very high95.1Very high3 Ų357.5 Ų57.52%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-88.7167.4-176-166.933.2000112.6V24 L29 V92 Y93 V95 T155 A157V24-N126 PolarHBondContact O-ND2 2.98Å; L29-N126 HydrophobicContact CD1-CB 4.26Å; V92-N126 HydrophobicContact CG1-CB 3.86Å; Y93-N126 PolarHBondContact O-N 3.05Å; V95-N126 WeakPolarHBondContact CG1-O 3.24Å; V95-N126 WeakPolarHBondContact CG2-O 3.43Å; V95-N126 PolarHBondContact N-O 2.8Å; N126-T155 CarbonylContact C-O 3.46Å; N126-T155 VanDerWaalsContact CA-O 3.27Å; N126-T155 WeakPolarHBondContact CA-O 3.3Å; N126-T155 PolarHBondContact OD1-O 2.96Å; N126-T155 PolarHBondContact OD1-OG1 2.79Å; N126-A157 PolarHBondContact OD1-N 2.87Å
127K97.4Very high95.4Very high57 Ų5759.2 Ų59.225%0.24831%0.306CS..  trans6732.6-178-44.9-169.7-163.4165.70114G23 D94 V95 D129 L130 T155G23-K127 WeakPolarHBondContact O-CE 3.39Å; G23-K127 PolarHBondContact O-NZ 3.39Å; D94-K127 VanDerWaalsContact OD2-CD 3.26Å; D94-K127 WeakPolarHBondContact OD2-CD 3.39Å; D94-K127 WeakPolarHBondContact OD2-CE 3.38Å; D94-K127 IonicContact OD2-NZ 2.76Å; D94-K127 PolarHBondContact OD2-NZ 2.8Å; V95-K127 WeakPolarHBondContact CG2-O 3.49Å; K127-D129 WeakPolarHBondContact CA-OD1 3.32Å; K127-D129 PolarHBondContact O-N 3.45Å; K127-L130 HydrophobicContact CB-CD1 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.36Å; K127-L130 PolarHBondContact O-N 2.85Å; K127-T155 PolarHBondContact N-O 3.39Å
128S97.3Very high96Very high25 Ų2555 Ų5518%0.17528%0.283CS..THydrogen-bonded Turntrans-62-13.117763.20000114.6L130 T155S128-L130 PolarHBondContact O-N 3.13Å; S128-T155 PolarHBondContact N-O 3.48Å; S128-T155 VanDerWaalsContact OG-C 3.23Å; S128-T155 PolarHBondContact OG-O 3Å; S128-T155 VanDerWaalsContact OG-O 3.08Å
129D96.4Very high96.4Very high56 Ų5653.1 Ų53.130%0.29928%0.276SS..THydrogen-bonded Turntrans-65.9-23.4170.855.6-74.6000113.6K127 T131 S156 K158K127-D129 WeakPolarHBondContact CA-OD1 3.32Å; K127-D129 PolarHBondContact O-N 3.45Å; D129-T131 VanDerWaalsContact C-N 3.25Å; D129-T131 PolarHBondContact O-N 3.34Å; D129-S156 WeakPolarHBondContact CB-OG 3.37Å; D129-S156 VanDerWaalsContact CG-OG 3.23Å; D129-S156 VanDerWaalsContact OD1-CB 3.27Å; D129-S156 WeakPolarHBondContact OD1-CB 3.44Å; D129-S156 PolarHBondContact OD1-OG 2.92Å; D129-K158 WeakPolarHBondContact OD2-CD 3.47Å
130L94.3Very high96.5Very high57 Ų5755.8 Ų55.830%0.29829%0.292SS..  trans-87.554.4-178.6-61.4179.6000112.3T96 K127 S128 T132 K133 K134T96-L130 HydrophobicContact CG2-CB 3.61Å; T96-L130 HydrophobicContact CG2-CD1 3.95Å; T96-L130 HydrophobicContact CG2-CG 4.42Å; K127-L130 HydrophobicContact CB-CD1 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.36Å; K127-L130 PolarHBondContact O-N 2.85Å; S128-L130 PolarHBondContact O-N 3.13Å; L130-T132 VanDerWaalsContact C-N 3.27Å; L130-T132 PolarHBondContact O-N 2.92Å; L130-T132 VanDerWaalsContact O-N 3.14Å; L130-K133 HydrophobicContact CB-CB 4.41Å; L130-K133 PolarHBondContact O-N 3.22Å; L130-K134 PolarHBondContact O-N 2.91Å
131T92.1Very high96.5Very high105 Ų10554.7 Ų54.764%0.64429%0.287SS*.G310 helixtrans-52.7-38.5-173.453.80000114.4D129 K133 K134D129-T131 VanDerWaalsContact C-N 3.25Å; D129-T131 PolarHBondContact O-N 3.34Å; T131-K133 VanDerWaalsContact C-N 3.3Å; T131-K133 PolarHBondContact O-N 3.16Å; T131-K134 WeakPolarHBondContact O-CB 3.13Å; T131-K134 PolarHBondContact O-N 3.34Å
132T94.5Very high96.5Very high135 Ų13555.3 Ų55.383%0.82829%0.29SS*.G310 helixtrans-75.4-16.1-179.456.80000114.4L130L130-T132 VanDerWaalsContact C-N 3.27Å; L130-T132 PolarHBondContact O-N 2.92Å; L130-T132 VanDerWaalsContact O-N 3.14Å
133K93.7Very high96.5Very high137 Ų13760.9 Ų60.960%0.59632%0.315SS*.G310 helixtrans-106.64.8178.4-63.3-175.7177.9-177.40112.3T96 L130 T131 L135T96-K133 WeakPolarHBondContact CA-O 3.34Å; T96-K133 WeakPolarHBondContact CB-O 3.5Å; T96-K133 HydrophobicContact CG2-CB 3.83Å; T96-K133 WeakPolarHBondContact CG2-O 2.91Å; L130-K133 HydrophobicContact CB-CB 4.41Å; L130-K133 PolarHBondContact O-N 3.22Å; T131-K133 VanDerWaalsContact C-N 3.3Å; T131-K133 PolarHBondContact O-N 3.16Å; K133-L135 PolarHBondContact O-N 3.02Å
134K95.3Very high96.4Very high62 Ų6262.8 Ų62.827%0.2732%0.324SS..  trans-64123.7-178.2-171.7168.5-178.5170.30109.4V95 L130 T131 V136 E154V95-K134 HydrophobicContact CB-CG 4.26Å; V95-K134 HydrophobicContact CG2-CG 4.32Å; L130-K134 PolarHBondContact O-N 2.91Å; T131-K134 WeakPolarHBondContact O-CB 3.13Å; T131-K134 PolarHBondContact O-N 3.34Å; K134-V136 WeakPolarHBondContact CE-O 3.29Å; K134-E154 WeakPolarHBondContact CE-OE1 3.44Å; K134-E154 IonicContact NZ-OE1 3.42Å; K134-E154 PolarHBondContact NZ-OE1 3.28Å; K134-E154 IonicContact NZ-OE2 2.75Å; K134-E154 PolarHBondContact NZ-OE2 2.86Å
135L96.8Very high96.3Very high105 Ų10562.8 Ų62.855%0.5532%0.324SS..  trans-109.1-26.9177.2-62.6-176000111.7V95 T96 Q98 K133V95-L135 PolarHBondContact O-N 2.96Å; T96-L135 VanDerWaalsContact O-CD1 3.23Å; T96-L135 WeakPolarHBondContact O-CD1 3.35Å; Q98-L135 PolarHBondContact OE1-O 2.86Å; K133-L135 PolarHBondContact O-N 3.02Å
136V96.8Very high96.2Very high1 Ų166.8 Ų66.81%0.00635%0.345CS..SBendtrans-102.2112-179.7-175.10000109.4Y93 V95 F101 K134 A141Y93-V136 HydrophobicContact CD2-CG2 4.49Å; Y93-V136 HydrophobicContact CE2-CB 3.96Å; Y93-V136 HydrophobicContact CE2-CG1 3.75Å; Y93-V136 HydrophobicContact CE2-CG2 4.13Å; V95-V136 PolarHBondContact O-N 3.25Å; F101-V136 HydrophobicContact CB-CG1 4.32Å; F101-V136 HydrophobicContact CB-CG2 3.76Å; F101-V136 HydrophobicContact CD1-CG1 4.07Å; F101-V136 HydrophobicContact CD2-CG1 3.93Å; F101-V136 HydrophobicContact CE1-CG1 4.37Å; F101-V136 HydrophobicContact CE2-CG1 4.25Å; F101-V136 HydrophobicContact CG-CG1 3.83Å; F101-V136 HydrophobicContact CG-CG2 4.17Å; F101-V136 HydrophobicContact CZ-CG1 4.45Å; K134-V136 WeakPolarHBondContact CE-O 3.29Å; V136-A141 HydrophobicContact CG1-CB 4.2Å
137D95.9Very high96.1Very high97 Ų9774.5 Ų74.552%0.51938%0.381SS..  trans-67.1142.9177.3-70.7-34.3000112.3T139 T140 A141D137-T139 VanDerWaalsContact C-N 3.29Å; D137-T139 PolarHBondContact O-N 3.31Å; D137-T140 PolarHBondContact O-N 3.11Å; D137-A141 PolarHBondContact O-N 3.29Å; D137-A141 VanDerWaalsContact O-N 3.12Å
138Y96.2Very high95.9Very high103 Ų10375.7 Ų75.740%0.40439%0.39SS..Hα-helixtrans-58-43.8178.9179.2-86.1000111.3A141 K142 F152 E154Y138-A141 PolarHBondContact O-N 2.83Å; Y138-K142 HydrophobicContact CD1-CB 4.24Å; Y138-K142 HydrophobicContact CE1-CB 3.95Å; Y138-K142 HydrophobicContact CE1-CG 4.14Å; Y138-K142 WeakPolarHBondContact O-CB 3.4Å; Y138-K142 PolarHBondContact O-N 3.2Å; Y138-F152 AromaticContact CD2-CE1 3.62Å; Y138-F152 HydrophobicContact CD2-CE1 3.62Å; Y138-F152 HydrophobicContact CD2-CZ 4.23Å; Y138-F152 HydrophobicContact CE1-CE1 4.46Å; Y138-F152 HydrophobicContact CE2-CD1 4.02Å; Y138-F152 AromaticContact CE2-CE1 3.46Å; Y138-F152 HydrophobicContact CE2-CE1 3.46Å; Y138-F152 VanDerWaalsContact CE2-CE1 3.46Å; Y138-F152 HydrophobicContact CE2-CZ 4.29Å; Y138-F152 HydrophobicContact CG-CE1 4.19Å; Y138-F152 AromaticContact CZ-CE1 3.9Å; Y138-E154 HydrophobicContact CD2-CB 4.48Å; Y138-E154 HydrophobicContact CD2-CG 3.79Å; Y138-E154 HydrophobicContact CE2-CG 4.23Å
139T96.8Very high95.8Very high85 Ų8577.8 Ų77.852%0.52142%0.415SS..Hα-helixtrans-61.3-46.2-178.746.70000111.3D137 A141 K142 E143D137-T139 VanDerWaalsContact C-N 3.29Å; D137-T139 PolarHBondContact O-N 3.31Å; T139-A141 PolarHBondContact O-N 3.41Å; T139-K142 PolarHBondContact O-N 3.45Å; T139-E143 WeakPolarHBondContact O-CB 3.41Å; T139-E143 WeakPolarHBondContact O-CG 3.39Å; T139-E143 PolarHBondContact O-N 2.93Å
140T95.8Very high95.8Very high68 Ų6875.9 Ų75.942%0.41740%0.404SS..Hα-helixtrans-60.5-46.2177.8-56.20000111.8D137 F144D137-T140 PolarHBondContact O-N 3.11Å; T140-F144 WeakPolarHBondContact O-CB 3.45Å; T140-F144 PolarHBondContact O-N 3.29Å
141A97.1Very high95.9Very high0 Ų075.2 Ų75.20%040%0.403CS..Hα-helixtrans-68.4-3717800000112.6Y93 F101 V136 D137 Y138 T139 F144 A145 F152Y93-A141 WeakPolarHBondContact OH-CB 3.11Å; F101-A141 HydrophobicContact CE2-CB 3.72Å; F101-A141 HydrophobicContact CZ-CB 4.1Å; V136-A141 HydrophobicContact CG1-CB 4.2Å; D137-A141 PolarHBondContact O-N 3.29Å; D137-A141 VanDerWaalsContact O-N 3.12Å; Y138-A141 PolarHBondContact O-N 2.83Å; T139-A141 PolarHBondContact O-N 3.41Å; A141-F144 PolarHBondContact O-N 3.49Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.44Å; A141-F152 HydrophobicContact CB-CE1 3.9Å; A141-F152 HydrophobicContact CB-CE2 3.93Å; A141-F152 HydrophobicContact CB-CZ 3.48Å; A141-F152 VanDerWaalsContact CB-CZ 3.48Å
142K97.6Very high96.2Very high64 Ų6470.7 Ų70.728%0.27838%0.375SS..Hα-helixtrans-65.9-48.2176.8178.256-179.8150.40111.5Y138 T139 F144 A145 D146 F152Y138-K142 HydrophobicContact CD1-CB 4.24Å; Y138-K142 HydrophobicContact CE1-CB 3.95Å; Y138-K142 HydrophobicContact CE1-CG 4.14Å; Y138-K142 WeakPolarHBondContact O-CB 3.4Å; Y138-K142 PolarHBondContact O-N 3.2Å; T139-K142 PolarHBondContact O-N 3.45Å; K142-F144 VanDerWaalsContact C-N 3.31Å; K142-F144 PolarHBondContact O-N 3.29Å; K142-A145 PolarHBondContact O-N 3.3Å; K142-D146 WeakPolarHBondContact CE-OD1 3.44Å; K142-D146 WeakPolarHBondContact CE-OD2 3.42Å; K142-D146 VanDerWaalsContact NZ-CG 3.34Å; K142-D146 IonicContact NZ-OD1 3.8Å; K142-D146 PolarHBondContact NZ-OD1 3.1Å; K142-D146 IonicContact NZ-OD2 2.81Å; K142-D146 PolarHBondContact NZ-OD2 2.93Å; K142-D146 WeakPolarHBondContact O-CB 3.45Å; K142-D146 VanDerWaalsContact O-CG 3.29Å; K142-D146 PolarHBondContact O-N 2.93Å; K142-F152 HydrophobicContact CB-CD1 3.81Å; K142-F152 HydrophobicContact CB-CE1 4.1Å; K142-F152 HydrophobicContact CD-CB 4.34Å; K142-F152 HydrophobicContact CD-CD1 3.97Å; K142-F152 HydrophobicContact CG-CD1 4.47Å
143E97.9Very high96.4Very high117 Ų11765.3 Ų65.355%0.54734%0.341SS..Hα-helixtrans-58-46.1174.5-75.2174.1-17200110.6T139 A145 D146 H147T139-E143 WeakPolarHBondContact O-CB 3.41Å; T139-E143 WeakPolarHBondContact O-CG 3.39Å; T139-E143 PolarHBondContact O-N 2.93Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.86Å; E143-D146 PolarHBondContact O-N 3.38Å; E143-H147 PolarHBondContact O-N 2.75Å; E143-H147 PolarHBondContact O-ND1 2.79Å
144F97.2Very high96.6Very high41 Ų4159.9 Ų59.918%0.1832%0.318CS..Hα-helixtrans-56.8-44.9176.1175.1-98.8000112.5F101 V104 K105 L108 L123 T140 A141 K142 L148F101-F144 HydrophobicContact CE2-CD1 4.28Å; F101-F144 HydrophobicContact CZ-CB 4.03Å; F101-F144 HydrophobicContact CZ-CD1 4.15Å; F101-F144 HydrophobicContact CZ-CG 4.08Å; V104-F144 HydrophobicContact CB-CE1 4.47Å; V104-F144 HydrophobicContact CG1-CE1 3.69Å; V104-F144 HydrophobicContact CG1-CZ 4.19Å; K105-F144 HydrophobicContact CG-CE2 4.01Å; K105-F144 HydrophobicContact CG-CZ 3.93Å; L108-F144 HydrophobicContact CD1-CE1 4.19Å; L108-F144 HydrophobicContact CD1-CZ 3.96Å; L123-F144 HydrophobicContact CD2-CD1 3.93Å; L123-F144 HydrophobicContact CD2-CE1 4.34Å; T140-F144 WeakPolarHBondContact O-CB 3.45Å; T140-F144 PolarHBondContact O-N 3.29Å; A141-F144 PolarHBondContact O-N 3.49Å; K142-F144 VanDerWaalsContact C-N 3.31Å; K142-F144 PolarHBondContact O-N 3.29Å; F144-L148 HydrophobicContact CD1-CD1 4.08Å; F144-L148 HydrophobicContact CE1-CD1 3.49Å; F144-L148 VanDerWaalsContact CE1-CD1 3.49Å; F144-L148 HydrophobicContact CE2-CD1 4.13Å; F144-L148 HydrophobicContact CZ-CD1 3.53Å; F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.21Å
145A97.1Very high96.8Very high0 Ų057 Ų570%031%0.305CS..Hα-helixtrans-66.4-39.5177.200000112.9L123 A141 K142 E143 L148 G149 I150 F152L123-A145 HydrophobicContact CD2-CB 4.09Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.44Å; K142-A145 PolarHBondContact O-N 3.3Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.86Å; A145-L148 CarbonylContact O-C 3.5Å; A145-L148 PolarHBondContact O-N 2.88Å; A145-L148 VanDerWaalsContact O-N 3.13Å; A145-G149 PolarHBondContact O-N 3.12Å; A145-I150 HydrophobicContact CB-CG1 3.99Å; A145-I150 PolarHBondContact O-N 3.16Å; A145-F152 HydrophobicContact CB-CB 3.58Å; A145-F152 HydrophobicContact CB-CG 4.32Å
146D96.7Very high96.8Very high85 Ų8552 Ų5246%0.45528%0.279SS..Hα-helixtrans-65.9-39.4178.7-72.8-24000112.1K142 E143 L148 G149K142-D146 WeakPolarHBondContact CE-OD1 3.44Å; K142-D146 WeakPolarHBondContact CE-OD2 3.42Å; K142-D146 VanDerWaalsContact NZ-CG 3.34Å; K142-D146 IonicContact NZ-OD1 3.8Å; K142-D146 PolarHBondContact NZ-OD1 3.1Å; K142-D146 IonicContact NZ-OD2 2.81Å; K142-D146 PolarHBondContact NZ-OD2 2.93Å; K142-D146 WeakPolarHBondContact O-CB 3.45Å; K142-D146 VanDerWaalsContact O-CG 3.29Å; K142-D146 PolarHBondContact O-N 2.93Å; E143-D146 PolarHBondContact O-N 3.38Å; D146-L148 PolarHBondContact O-N 3.14Å; D146-G149 PolarHBondContact O-N 3.42Å
147H96.1Very high96.8Very high165 Ų16552 Ų5276%0.76428%0.28SS*.Hα-helixtrans-60.9-29.1173-76.587.3000112.8E143E143-H147 PolarHBondContact O-N 2.75Å; E143-H147 PolarHBondContact O-ND1 2.79Å
148L93Very high96.8Very high82 Ų8251.7 Ų51.743%0.42927%0.274SS..THydrogen-bonded Turntrans-89.1-7.8176.5-63.4173.2000112.9L108 F144 A145 D146 I150L108-L148 HydrophobicContact CD1-CD1 3.39Å; F144-L148 HydrophobicContact CD1-CD1 4.08Å; F144-L148 HydrophobicContact CE1-CD1 3.49Å; F144-L148 VanDerWaalsContact CE1-CD1 3.49Å; F144-L148 HydrophobicContact CE2-CD1 4.13Å; F144-L148 HydrophobicContact CZ-CD1 3.53Å; F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.21Å; A145-L148 CarbonylContact O-C 3.5Å; A145-L148 PolarHBondContact O-N 2.88Å; A145-L148 VanDerWaalsContact O-N 3.13Å; D146-L148 PolarHBondContact O-N 3.14Å; L148-I150 VanDerWaalsContact C-N 3.28Å; L148-I150 HydrophobicContact CB-CD1 4.32Å; L148-I150 HydrophobicContact CB-CG1 4.1Å; L148-I150 HydrophobicContact CB-CG2 4.33Å; L148-I150 HydrophobicContact CD1-CD1 4.09Å; L148-I150 PolarHBondContact O-N 2.99Å
149G94.9Very high96.7Very high68 Ų6849.9 Ų49.970%0.70128%0.276SS*.THydrogen-bonded Turntrans65.528.3-175.200000113.7A145 D146A145-G149 PolarHBondContact O-N 3.12Å; D146-G149 PolarHBondContact O-N 3.42Å
150I95.7Very high96.7Very high16 Ų1647.8 Ų47.88%0.08227%0.267CS..  trans-110.9145.1179.568.1179.6000110.7L108 K121 L123 A145 L148L108-I150 HydrophobicContact CD2-CD1 4.46Å; K121-I150 HydrophobicContact CB-CB 4.41Å; K121-I150 HydrophobicContact CB-CG2 3.78Å; K121-I150 HydrophobicContact CD-CG2 4.39Å; L123-I150 HydrophobicContact CB-CD1 4.01Å; A145-I150 HydrophobicContact CB-CG1 3.99Å; A145-I150 PolarHBondContact O-N 3.16Å; L148-I150 VanDerWaalsContact C-N 3.28Å; L148-I150 HydrophobicContact CB-CD1 4.32Å; L148-I150 HydrophobicContact CB-CG1 4.1Å; L148-I150 HydrophobicContact CB-CG2 4.33Å; L148-I150 HydrophobicContact CD1-CD1 4.09Å; L148-I150 PolarHBondContact O-N 2.99Å
151P97.3Very high96.8Very high43 Ų4347.6 Ų47.628%0.27927%0.266SS..  trans-64.3155.7173.6-17.330.5000111.8K121 L122 L123 T169 E173K121-P151 WeakPolarHBondContact O-CD 3.31Å; L122-P151 HydrophobicContact CD1-CB 3.73Å; L122-P151 WeakPolarHBondContact CD1-O 3.25Å; L123-P151 PolarHBondContact N-O 2.95Å; P151-T169 HydrophobicContact CB-CG2 4.44Å; P151-E173 HydrophobicContact CG-CG 4.38Å
152F98.3Very high96.8Very high11 Ų1150.4 Ų50.45%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-139.2136.8179.7170.1-118.1000111.6Y93 L123 Y138 A141 K142 A145 E154Y93-F152 AromaticContact CE1-CE2 3.91Å; Y93-F152 HydrophobicContact CE1-CE2 3.91Å; Y93-F152 WeakPolarHBondContact OH-CE2 3.31Å; Y93-F152 WeakPolarHBondContact OH-CZ 3.18Å; L123-F152 HydrophobicContact CB-CD2 4.02Å; L123-F152 HydrophobicContact CD2-CD2 3.91Å; L123-F152 HydrophobicContact CD2-CE2 4.39Å; L123-F152 HydrophobicContact CG-CD2 3.83Å; L123-F152 HydrophobicContact CG-CE2 4.35Å; L123-F152 WeakPolarHBondContact O-CA 3.23Å; L123-F152 WeakPolarHBondContact O-CD2 3.3Å; Y138-F152 AromaticContact CD2-CE1 3.62Å; Y138-F152 HydrophobicContact CD2-CE1 3.62Å; Y138-F152 HydrophobicContact CD2-CZ 4.23Å; Y138-F152 HydrophobicContact CE1-CE1 4.46Å; Y138-F152 HydrophobicContact CE2-CD1 4.02Å; Y138-F152 AromaticContact CE2-CE1 3.46Å; Y138-F152 HydrophobicContact CE2-CE1 3.46Å; Y138-F152 VanDerWaalsContact CE2-CE1 3.46Å; Y138-F152 HydrophobicContact CE2-CZ 4.29Å; Y138-F152 HydrophobicContact CG-CE1 4.19Å; Y138-F152 AromaticContact CZ-CE1 3.9Å; A141-F152 HydrophobicContact CB-CE1 3.9Å; A141-F152 HydrophobicContact CB-CE2 3.93Å; A141-F152 HydrophobicContact CB-CZ 3.48Å; A141-F152 VanDerWaalsContact CB-CZ 3.48Å; K142-F152 HydrophobicContact CB-CD1 3.81Å; K142-F152 HydrophobicContact CB-CE1 4.1Å; K142-F152 HydrophobicContact CD-CB 4.34Å; K142-F152 HydrophobicContact CD-CD1 3.97Å; K142-F152 HydrophobicContact CG-CD1 4.47Å; A145-F152 HydrophobicContact CB-CB 3.58Å; A145-F152 HydrophobicContact CB-CG 4.32Å; F152-E154 HydrophobicContact CE1-CG 4.32Å; F152-E154 HydrophobicContact CE2-CG 4.36Å; F152-E154 HydrophobicContact CZ-CG 3.66Å
153L98.2Very high96.8Very high22 Ų2247.6 Ų47.612%0.11527%0.269CS..EExtended strand (participates in β ladder)trans-139.3142.1174.2-70.4165.7000110.4L123 V124 G125 Q165 A166L123-L153 PolarHBondContact O-N 3.22Å; L123-L153 VanDerWaalsContact O-N 3.12Å; V124-L153 VanDerWaalsContact CA-O 3.3Å; V124-L153 WeakPolarHBondContact CA-O 3.48Å; G125-L153 PolarHBondContact N-O 2.7Å; L153-Q165 HydrophobicContact CD1-CG 4.2Å; L153-A166 HydrophobicContact CD1-CB 4.05Å
154E98.3Very high96.8Very high23 Ų2345.7 Ų45.711%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-92.8134.3162.5-76.9-171.8-178.400110V95 G125 K134 Y138 F152 N162V95-E154 HydrophobicContact CG1-CG 4.27Å; G125-E154 CarbonylContact O-C 3.56Å; G125-E154 WeakPolarHBondContact O-CA 3.42Å; K134-E154 WeakPolarHBondContact CE-OE1 3.44Å; K134-E154 IonicContact NZ-OE1 3.42Å; K134-E154 PolarHBondContact NZ-OE1 3.28Å; K134-E154 IonicContact NZ-OE2 2.75Å; K134-E154 PolarHBondContact NZ-OE2 2.86Å; Y138-E154 HydrophobicContact CD2-CB 4.48Å; Y138-E154 HydrophobicContact CD2-CG 3.79Å; Y138-E154 HydrophobicContact CE2-CG 4.23Å; F152-E154 HydrophobicContact CE1-CG 4.32Å; F152-E154 HydrophobicContact CE2-CG 4.36Å; F152-E154 HydrophobicContact CZ-CG 3.66Å; E154-N162 VanDerWaalsContact O-CB 3.3Å; E154-N162 WeakPolarHBondContact O-CB 3.5Å; E154-N162 PolarHBondContact O-ND2 2.83Å
155T98.4Very high96.8Very high0 Ų048.5 Ų48.50%027%0.274CS..  trans-128.1159.7-175.763.70000111.7V124 G125 N126 K127 S128 T161 N162 A166V124-T155 HydrophobicContact CG1-CG2 3.65Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.45Å; G125-T155 PolarHBondContact O-N 3.24Å; N126-T155 CarbonylContact C-O 3.46Å; N126-T155 VanDerWaalsContact CA-O 3.27Å; N126-T155 WeakPolarHBondContact CA-O 3.3Å; N126-T155 PolarHBondContact OD1-O 2.96Å; N126-T155 PolarHBondContact OD1-OG1 2.79Å; K127-T155 PolarHBondContact N-O 3.39Å; S128-T155 PolarHBondContact N-O 3.48Å; S128-T155 VanDerWaalsContact OG-C 3.23Å; S128-T155 PolarHBondContact OG-O 3Å; S128-T155 VanDerWaalsContact OG-O 3.08Å; T155-T161 CarbonylContact C-O 3.44Å; T155-T161 VanDerWaalsContact CA-O 3.26Å; T155-T161 WeakPolarHBondContact CA-O 3.29Å; T155-N162 HydrophobicContact CG2-CB 3.96Å; T155-A166 HydrophobicContact CG2-CB 4.14Å
156S97.9Very high96.9Very high0 Ų048.7 Ų48.70%028%0.275CS..  trans-135.1108.9166.5168.10000109.1D129 K158 S159 A160 T161 V163D129-S156 WeakPolarHBondContact CB-OG 3.37Å; D129-S156 VanDerWaalsContact CG-OG 3.23Å; D129-S156 VanDerWaalsContact OD1-CB 3.27Å; D129-S156 WeakPolarHBondContact OD1-CB 3.44Å; D129-S156 PolarHBondContact OD1-OG 2.92Å; S156-K158 PolarHBondContact O-N 2.78Å; S156-K158 PolarHBondContact OG-N 3.48Å; S156-S159 WeakPolarHBondContact CB-OG 3.21Å; S156-S159 PolarHBondContact O-N 3.3Å; S156-S159 PolarHBondContact OG-N 3.14Å; S156-S159 PolarHBondContact OG-OG 2.85Å; S156-A160 CarbonylContact O-C 3.6Å; S156-A160 VanDerWaalsContact O-CA 3.23Å; S156-A160 WeakPolarHBondContact O-CA 3.37Å; S156-A160 PolarHBondContact O-N 2.54Å; S156-T161 PolarHBondContact N-O 3.07Å; S156-T161 PolarHBondContact O-N 3.43Å; S156-V163 WeakPolarHBondContact O-CG2 3.32Å
157A96.3Very high96.9Very high3 Ų344.9 Ų44.93%0.02526%0.255CS..THydrogen-bonded Turntrans-59.3-30.9171.400000112.3C28 L29 R32 Y38 N126C28-A157 HydrophobicContact CB-CB 3.69Å; L29-A157 HydrophobicContact CD2-CB 4.01Å; L29-A157 HydrophobicContact CG-CB 4.27Å; R32-A157 PolarHBondContact NE-O 3.36Å; Y38-A157 HydrophobicContact CD2-CB 4.26Å; Y38-A157 HydrophobicContact CE2-CB 4.42Å; N126-A157 PolarHBondContact OD1-N 2.87Å
158K95.4Very high97Very high90 Ų9039.2 Ų39.239%0.39123%0.229SC..THydrogen-bonded Turntrans-65.9-51.8179.4-175.4170.5-172.2159.90111.7R32 Y38 E40 D129 S156R32-K158 PolarHBondContact NH2-O 2.91Å; Y38-K158 HydrophobicContact CD1-CG 4.32Å; Y38-K158 HydrophobicContact CD2-CB 4.43Å; Y38-K158 HydrophobicContact CE1-CB 4.13Å; Y38-K158 HydrophobicContact CE1-CD 4.28Å; Y38-K158 HydrophobicContact CE1-CG 3.82Å; Y38-K158 HydrophobicContact CE2-CB 3.97Å; E40-K158 IonicContact OE1-NZ 2.67Å; E40-K158 PolarHBondContact OE1-NZ 2.9Å; D129-K158 WeakPolarHBondContact OD2-CD 3.47Å; S156-K158 PolarHBondContact O-N 2.78Å; S156-K158 PolarHBondContact OG-N 3.48Å
159S95.2Very high97.2Very high64 Ų6437.1 Ų37.145%0.44822%0.22SC..THydrogen-bonded Turntrans-94.52-177.564.10000114.4S156 T161S156-S159 WeakPolarHBondContact CB-OG 3.21Å; S156-S159 PolarHBondContact O-N 3.3Å; S156-S159 PolarHBondContact OG-N 3.14Å; S156-S159 PolarHBondContact OG-OG 2.85Å; S159-T161 PolarHBondContact O-N 2.88Å; S159-T161 VanDerWaalsContact O-N 3.13Å; S159-T161 PolarHBondContact OG-OG1 3.04Å
160A96.3Very high97.3Very high42 Ų4234 Ų3435%0.34719%0.187SC..  trans62.24.1-171.200000115.7R32 S156 N162 V163R32-A160 HydrophobicContact CG-CB 4.23Å; S156-A160 CarbonylContact O-C 3.6Å; S156-A160 VanDerWaalsContact O-CA 3.23Å; S156-A160 WeakPolarHBondContact O-CA 3.37Å; S156-A160 PolarHBondContact O-N 2.54Å; A160-N162 PolarHBondContact O-N 3.25Å; A160-V163 PolarHBondContact O-N 2.95Å
161T98.1Very high97.3Very high64 Ų6433.2 Ų33.239%0.39318%0.183SC..THydrogen-bonded Turntrans-55.4123.2-179.8-58.10000111.1T155 S156 S159 V163T155-T161 CarbonylContact C-O 3.44Å; T155-T161 VanDerWaalsContact CA-O 3.26Å; T155-T161 WeakPolarHBondContact CA-O 3.29Å; S156-T161 PolarHBondContact N-O 3.07Å; S156-T161 PolarHBondContact O-N 3.43Å; S159-T161 PolarHBondContact O-N 2.88Å; S159-T161 VanDerWaalsContact O-N 3.13Å; S159-T161 PolarHBondContact OG-OG1 3.04Å; T161-V163 PolarHBondContact O-N 3.32Å
162N97.8Very high97.3Very high59 Ų5932.9 Ų32.932%0.31618%0.184SC..THydrogen-bonded Turntrans55.89.4179.3-63.9-22.3000116.4E154 T155 A160 Q165 A166E154-N162 VanDerWaalsContact O-CB 3.3Å; E154-N162 WeakPolarHBondContact O-CB 3.5Å; E154-N162 PolarHBondContact O-ND2 2.83Å; T155-N162 HydrophobicContact CG2-CB 3.96Å; A160-N162 PolarHBondContact O-N 3.25Å; N162-Q165 PolarHBondContact O-N 3.25Å; N162-Q165 PolarHBondContact OD1-OE1 2.89Å; N162-A166 WeakPolarHBondContact O-CB 3.24Å; N162-A166 PolarHBondContact O-N 3.28Å
163V97.8Very high97.1Very high4 Ų435.7 Ų35.72%0.02420%0.197CC..Hα-helixtrans-65.1-52.9-178.6179.40000110.3L29 R32 F33 S156 A160 T161 Q165 A166 F167L29-V163 HydrophobicContact CD2-CB 4.45Å; L29-V163 HydrophobicContact CD2-CG1 4.14Å; L29-V163 HydrophobicContact CD2-CG2 3.71Å; R32-V163 HydrophobicContact CB-CG1 4.2Å; R32-V163 HydrophobicContact CG-CB 4.15Å; R32-V163 HydrophobicContact CG-CG1 3.88Å; R32-V163 HydrophobicContact CG-CG2 4.03Å; F33-V163 HydrophobicContact CB-CG1 4.02Å; S156-V163 WeakPolarHBondContact O-CG2 3.32Å; A160-V163 PolarHBondContact O-N 2.95Å; T161-V163 PolarHBondContact O-N 3.32Å; V163-Q165 VanDerWaalsContact C-N 3.29Å; V163-Q165 PolarHBondContact O-N 2.84Å; V163-A166 PolarHBondContact O-N 2.82Å; V163-F167 HydrophobicContact CG1-CD2 4.46Å; V163-F167 HydrophobicContact CG1-CE2 4.21Å; V163-F167 VanDerWaalsContact O-CD2 3.3Å; V163-F167 WeakPolarHBondContact O-CD2 3.24Å
164E96.9Very high97Very high78 Ų7834.6 Ų34.636%0.36419%0.192SC..Hα-helixtrans-56.5-46.7175.3-169.470.3-172.800111F33 R53 A166 F167 M168F33-E164 VanDerWaalsContact CD2-OE2 3.31Å; F33-E164 WeakPolarHBondContact CD2-OE2 3.37Å; F33-E164 VanDerWaalsContact CE2-OE2 3.25Å; F33-E164 WeakPolarHBondContact CE2-OE2 3.47Å; R53-E164 IonicContact CZ-OE1 3.52Å; R53-E164 IonicContact CZ-OE2 2.84Å; R53-E164 IonicContact NH1-OE1 2.75Å; R53-E164 IonicContact NH1-OE2 2.77Å; R53-E164 PolarHBondContact NH1-OE2 3.38Å; R53-E164 IonicContact NH2-OE1 3.77Å; R53-E164 PolarHBondContact NH2-OE1 2.87Å; R53-E164 IonicContact NH2-OE2 3.51Å; R53-E164 PolarHBondContact NH2-OE2 3.32Å; E164-A166 VanDerWaalsContact C-N 3.29Å; E164-A166 PolarHBondContact O-N 2.81Å; E164-F167 PolarHBondContact O-N 2.92Å; E164-M168 HydrophobicContact CG-CG 4.09Å; E164-M168 WeakPolarHBondContact O-CB 3.44Å; E164-M168 WeakPolarHBondContact O-CG 3.38Å; E164-M168 PolarHBondContact O-N 2.81Å
165Q97.6Very high96.7Very high99 Ų9935 Ų3546%0.46319%0.193SC..Hα-helixtrans-60.2-36.8-178.1-173.4175.8-1100112.4L153 N162 V163 T169L153-Q165 HydrophobicContact CD1-CG 4.2Å; N162-Q165 PolarHBondContact O-N 3.25Å; N162-Q165 PolarHBondContact OD1-OE1 2.89Å; V163-Q165 VanDerWaalsContact C-N 3.29Å; V163-Q165 PolarHBondContact O-N 2.84Å; Q165-T169 WeakPolarHBondContact O-CB 3.37Å; Q165-T169 PolarHBondContact O-N 2.77Å; Q165-T169 PolarHBondContact O-OG1 2.75Å
166A98.1Very high96.4Very high4 Ų442.6 Ų42.63%0.03323%0.226CC..Hα-helixtrans-62.2-48.5178.400000112.2L122 V124 L153 T155 N162 V163 E164 M170L122-A166 HydrophobicContact CD2-CB 4.18Å; L122-A166 VanDerWaalsContact CD2-O 3.28Å; L122-A166 WeakPolarHBondContact CD2-O 3.27Å; V124-A166 HydrophobicContact CG2-CB 4.24Å; L153-A166 HydrophobicContact CD1-CB 4.05Å; T155-A166 HydrophobicContact CG2-CB 4.14Å; N162-A166 WeakPolarHBondContact O-CB 3.24Å; N162-A166 PolarHBondContact O-N 3.28Å; V163-A166 PolarHBondContact O-N 2.82Å; E164-A166 VanDerWaalsContact C-N 3.29Å; E164-A166 PolarHBondContact O-N 2.81Å; A166-M170 PolarHBondContact O-N 2.7Å; A166-M170 VanDerWaalsContact O-N 3.1Å
167F97.9Very high96Very high5 Ų547 Ų472%0.02224%0.243CC..Hα-helixtrans-70.7-37.9178.7-69.6-81.5000112.3L16 L18 F33 I66 I90 V163 E164 M170 A171L16-F167 HydrophobicContact CD1-CD1 4.09Å; L18-F167 HydrophobicContact CD1-CZ 4.36Å; L18-F167 HydrophobicContact CD2-CE1 3.97Å; L18-F167 HydrophobicContact CD2-CZ 4.11Å; F33-F167 HydrophobicContact CB-CD2 3.68Å; F33-F167 HydrophobicContact CB-CE2 3.51Å; F33-F167 HydrophobicContact CB-CZ 4.22Å; F33-F167 HydrophobicContact CD1-CB 4.36Å; F33-F167 HydrophobicContact CD1-CD1 4.16Å; F33-F167 AromaticContact CD1-CD2 3.89Å; F33-F167 HydrophobicContact CD1-CD2 3.89Å; F33-F167 HydrophobicContact CD1-CE1 4.45Å; F33-F167 HydrophobicContact CD1-CE2 4.2Å; F33-F167 AromaticContact CD1-CG 3.88Å; F33-F167 HydrophobicContact CD1-CG 3.88Å; F33-F167 HydrophobicContact CD1-CZ 4.47Å; F33-F167 HydrophobicContact CD2-CB 3.84Å; F33-F167 AromaticContact CD2-CD2 3.37Å; F33-F167 HydrophobicContact CD2-CD2 3.37Å; F33-F167 HydrophobicContact CD2-CE2 4.14Å; F33-F167 AromaticContact CD2-CG 3.78Å; F33-F167 HydrophobicContact CD2-CG 3.78Å; F33-F167 HydrophobicContact CE1-CB 4Å; F33-F167 HydrophobicContact CE1-CD1 4.25Å; F33-F167 HydrophobicContact CE1-CD2 4.38Å; F33-F167 AromaticContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE2-CB 3.43Å; F33-F167 VanDerWaalsContact CE2-CB 3.43Å; F33-F167 AromaticContact CE2-CD2 3.93Å; F33-F167 HydrophobicContact CE2-CD2 3.93Å; F33-F167 AromaticContact CE2-CG 3.87Å; F33-F167 HydrophobicContact CE2-CG 3.87Å; F33-F167 HydrophobicContact CG-CB 4.29Å; F33-F167 HydrophobicContact CG-CD1 4.45Å; F33-F167 AromaticContact CG-CD2 3.35Å; F33-F167 HydrophobicContact CG-CD2 3.35Å; F33-F167 AromaticContact CG-CE2 3.69Å; F33-F167 HydrophobicContact CG-CE2 3.69Å; F33-F167 AromaticContact CG-CG 3.79Å; F33-F167 HydrophobicContact CG-CG 3.79Å; F33-F167 HydrophobicContact CG-CZ 4.37Å; F33-F167 HydrophobicContact CZ-CB 3.52Å; F33-F167 HydrophobicContact CZ-CD2 4.41Å; F33-F167 AromaticContact CZ-CG 3.96Å; F33-F167 HydrophobicContact CZ-CG 3.96Å; I66-F167 HydrophobicContact CD1-CD1 3.89Å; I66-F167 HydrophobicContact CD1-CE1 3.84Å; I66-F167 HydrophobicContact CG1-CE1 4.5Å; I66-F167 HydrophobicContact CG2-CE1 4Å; I90-F167 HydrophobicContact CD1-CD1 3.86Å; I90-F167 HydrophobicContact CD1-CE1 3.82Å; I90-F167 HydrophobicContact CD1-CZ 4.49Å; V163-F167 HydrophobicContact CG1-CD2 4.46Å; V163-F167 HydrophobicContact CG1-CE2 4.21Å; V163-F167 VanDerWaalsContact O-CD2 3.3Å; V163-F167 WeakPolarHBondContact O-CD2 3.24Å; E164-F167 PolarHBondContact O-N 2.92Å; F167-M170 PolarHBondContact O-N 2.91Å; F167-A171 WeakPolarHBondContact O-CB 3.38Å; F167-A171 PolarHBondContact O-N 2.82Å
168M97.1Very high95.4Very high46 Ų4649 Ų4923%0.22725%0.252CS..Hα-helixtrans-64.8-41.3175.5-67.3-63.9-79.600112I55 L57 E164 A171 A172I55-M168 HydrophobicContact CB-SD 4.12Å; I55-M168 HydrophobicContact CD1-CE 4.45Å; I55-M168 HydrophobicContact CD1-SD 3.44Å; I55-M168 WeakPolarHBondContact CD1-SD 3.43Å; I55-M168 HydrophobicContact CG1-SD 4.33Å; I55-M168 HydrophobicContact CG2-SD 4.24Å; L57-M168 HydrophobicContact CD1-CE 3.55Å; L57-M168 HydrophobicContact CD1-SD 4.44Å; E164-M168 HydrophobicContact CG-CG 4.09Å; E164-M168 WeakPolarHBondContact O-CB 3.44Å; E164-M168 WeakPolarHBondContact O-CG 3.38Å; E164-M168 PolarHBondContact O-N 2.81Å; M168-A171 PolarHBondContact O-N 2.86Å; M168-A172 WeakPolarHBondContact O-CB 3.49Å; M168-A172 PolarHBondContact O-N 3.05Å
169T96.9Very high94.2Very high38 Ų3846 Ų4623%0.23325%0.246CC..Hα-helixtrans-61.6-46.6175.6-59.80000110.7P151 Q165 A171 A172 E173P151-T169 HydrophobicContact CB-CG2 4.44Å; Q165-T169 WeakPolarHBondContact O-CB 3.37Å; Q165-T169 PolarHBondContact O-N 2.77Å; Q165-T169 PolarHBondContact O-OG1 2.75Å; T169-A171 PolarHBondContact O-N 2.67Å; T169-A172 PolarHBondContact O-N 3.26Å; T169-E173 WeakPolarHBondContact O-CG 3.26Å; T169-E173 PolarHBondContact O-N 3.47Å
170M97.6Very high92.5Very high3 Ų349.2 Ų49.22%0.01527%0.266CS..Hα-helixtrans-60.2-45.5175.9178.556.879.300111.9L16 I89 I90 N120 L122 A166 F167 A172 E173 I174L16-M170 HydrophobicContact CD1-CG 4.15Å; L16-M170 HydrophobicContact CD2-CG 3.64Å; I89-M170 VanDerWaalsContact O-CE 3.24Å; I89-M170 WeakPolarHBondContact O-CE 3.43Å; I90-M170 HydrophobicContact CD1-CB 4.38Å; I90-M170 HydrophobicContact CG1-CE 3.74Å; I90-M170 HydrophobicContact CG1-CG 4.4Å; N120-M170 HydrophobicContact CB-SD 3.7Å; L122-M170 HydrophobicContact CB-CE 3.36Å; L122-M170 HydrophobicContact CD2-CB 4.34Å; A166-M170 PolarHBondContact O-N 2.7Å; A166-M170 VanDerWaalsContact O-N 3.1Å; F167-M170 PolarHBondContact O-N 2.91Å; M170-A172 VanDerWaalsContact C-N 3.34Å; M170-A172 PolarHBondContact O-N 3.32Å; M170-E173 PolarHBondContact O-N 2.78Å; M170-I174 HydrophobicContact CG-CD1 3.86Å; M170-I174 WeakPolarHBondContact O-CD1 3.31Å; M170-I174 VanDerWaalsContact O-CG1 3.28Å; M170-I174 WeakPolarHBondContact O-CG1 3.28Å; M170-I174 PolarHBondContact O-N 3.45Å; M170-I174 HydrophobicContact SD-CD1 3.86Å; M170-I174 HydrophobicContact SD-CG1 4.08Å
171A96.8Very high90.4Very high0 Ų050.4 Ų50.40%028%0.282CS..Hα-helixtrans-61.9-41.7177.900000112.1F14 I55 L64 F167 M168 T169 I174 K175F14-A171 HydrophobicContact CD2-CB 4.31Å; F14-A171 HydrophobicContact CE2-CB 4.39Å; F14-A171 WeakPolarHBondContact CE2-O 3.25Å; I55-A171 HydrophobicContact CD1-CB 3.74Å; L64-A171 HydrophobicContact CD2-CB 4.18Å; F167-A171 WeakPolarHBondContact O-CB 3.38Å; F167-A171 PolarHBondContact O-N 2.82Å; M168-A171 PolarHBondContact O-N 2.86Å; T169-A171 PolarHBondContact O-N 2.67Å; A171-I174 PolarHBondContact O-N 2.81Å; A171-K175 WeakPolarHBondContact O-CB 3.37Å; A171-K175 PolarHBondContact O-N 3.31Å
172A95.8Very high88.3Confident36 Ų3649.3 Ų49.330%0.29828%0.279SS..Hα-helixtrans-63.2-44.7176.700000112.2L57 M168 T169 M170 I174 K175 K176L57-A172 HydrophobicContact CD1-CB 4.44Å; L57-A172 HydrophobicContact CD2-CB 3.95Å; M168-A172 WeakPolarHBondContact O-CB 3.49Å; M168-A172 PolarHBondContact O-N 3.05Å; T169-A172 PolarHBondContact O-N 3.26Å; M170-A172 VanDerWaalsContact C-N 3.34Å; M170-A172 PolarHBondContact O-N 3.32Å; A172-I174 PolarHBondContact O-N 2.88Å; A172-K175 PolarHBondContact O-N 2.92Å; A172-K176 VanDerWaalsContact O-CB 3.3Å; A172-K176 WeakPolarHBondContact O-CB 3.26Å; A172-K176 PolarHBondContact O-N 3.29Å
173E94.7Very high85.9Confident69 Ų6950.8 Ų50.832%0.32229%0.291SS..Hα-helixtrans-63.4-40.4177.7-75-5913700112.3N120 P151 T169 M170 R177N120-E173 PolarHBondContact ND2-O 3.18Å; P151-E173 HydrophobicContact CG-CG 4.38Å; T169-E173 WeakPolarHBondContact O-CG 3.26Å; T169-E173 PolarHBondContact O-N 3.47Å; M170-E173 PolarHBondContact O-N 2.78Å; E173-R177 WeakPolarHBondContact O-CB 3.25Å; E173-R177 PolarHBondContact O-N 3.44Å; E173-R177 VanDerWaalsContact O-N 3.07Å
174I95.2Very high83.6Confident0 Ų053.6 Ų53.60%031%0.314CS..Hα-helixtrans-64.8-47.4174.4-66.2163.8000110.7F14 L16 H87 N120 M170 A171 A172 K176 R177 M178F14-I174 HydrophobicContact CB-CD1 4.38Å; F14-I174 HydrophobicContact CD1-CG2 3.77Å; F14-I174 HydrophobicContact CD2-CB 4.03Å; F14-I174 HydrophobicContact CD2-CD1 4.21Å; F14-I174 HydrophobicContact CD2-CG2 3.79Å; F14-I174 HydrophobicContact CE1-CG2 3.84Å; F14-I174 HydrophobicContact CE2-CB 3.98Å; F14-I174 HydrophobicContact CE2-CG2 3.79Å; F14-I174 HydrophobicContact CG-CB 4.48Å; F14-I174 HydrophobicContact CG-CD1 4.41Å; F14-I174 HydrophobicContact CG-CG2 3.8Å; F14-I174 HydrophobicContact CZ-CB 4.43Å; F14-I174 HydrophobicContact CZ-CG2 3.84Å; L16-I174 HydrophobicContact CD2-CD1 3.34Å; H87-I174 HydrophobicContact CB-CD1 3.94Å; H87-I174 HydrophobicContact CB-CG1 4.37Å; H87-I174 HydrophobicContact CB-CG2 3.93Å; N120-I174 HydrophobicContact CB-CG1 3.86Å; N120-I174 WeakPolarHBondContact OD1-CA 3.36Å; N120-I174 WeakPolarHBondContact OD1-CG1 3.49Å; M170-I174 HydrophobicContact CG-CD1 3.86Å; M170-I174 WeakPolarHBondContact O-CD1 3.31Å; M170-I174 VanDerWaalsContact O-CG1 3.28Å; M170-I174 WeakPolarHBondContact O-CG1 3.28Å; M170-I174 PolarHBondContact O-N 3.45Å; M170-I174 HydrophobicContact SD-CD1 3.86Å; M170-I174 HydrophobicContact SD-CG1 4.08Å; A171-I174 PolarHBondContact O-N 2.81Å; A172-I174 PolarHBondContact O-N 2.88Å; I174-K176 PolarHBondContact O-N 3Å; I174-R177 PolarHBondContact O-N 2.84Å; I174-M178 HydrophobicContact CG2-CE 4.02Å; I174-M178 HydrophobicContact CG2-CG 4.41Å; I174-M178 HydrophobicContact CG2-SD 4.44Å; I174-M178 WeakPolarHBondContact O-CG 3.46Å; I174-M178 PolarHBondContact O-N 2.88Å
175K93.4Very high81.1Confident31 Ų3153 Ų5314%0.13533%0.33CS..Hα-helixtrans-59.9-45.9179.5-177.6-174.6175-1720111.2F14 L57 D58 I62 A171 A172 R177 M178 G179F14-K175 HydrophobicContact CE2-CB 4.23Å; F14-K175 HydrophobicContact CZ-CB 4.05Å; L57-K175 HydrophobicContact CD2-CB 4.5Å; L57-K175 HydrophobicContact CD2-CD 3.73Å; L57-K175 PolarHBondContact O-NZ 2.93Å; D58-K175 VanDerWaalsContact CB-NZ 3.29Å; D58-K175 IonicContact OD2-NZ 2.66Å; D58-K175 PolarHBondContact OD2-NZ 2.87Å; I62-K175 HydrophobicContact CD1-CD 4.24Å; A171-K175 WeakPolarHBondContact O-CB 3.37Å; A171-K175 PolarHBondContact O-N 3.31Å; A172-K175 PolarHBondContact O-N 2.92Å; K175-R177 VanDerWaalsContact C-N 3.33Å; K175-R177 PolarHBondContact O-N 2.64Å; K175-M178 PolarHBondContact O-N 3.25Å; K175-G179 PolarHBondContact O-N 2.87Å
176K91.6Very high78.6Confident159 Ų15953.3 Ų53.369%0.69135%0.349SS*.Hα-helixtrans-58.1-44.1176.9-177.9-178175.4-172.40111.6A172 I174A172-K176 VanDerWaalsContact O-CB 3.3Å; A172-K176 WeakPolarHBondContact O-CB 3.26Å; A172-K176 PolarHBondContact O-N 3.29Å; I174-K176 PolarHBondContact O-N 3Å
177R89.4Confident76.2Confident93 Ų9357.2 Ų57.235%0.35138%0.381SS..Hα-helixtrans-63.6-41.6177.1-173.8-164.171-158.9-9.9112.4H87 N118 N120 E173 I174 K175 G179H87-R177 PolarHBondContact O-NH1 2.88Å; N118-R177 WeakPolarHBondContact O-CD 3.43Å; N118-R177 PolarHBondContact O-NH1 3.02Å; N120-R177 WeakPolarHBondContact OD1-CD 3.49Å; N120-R177 PolarHBondContact OD1-NE 3.32Å; N120-R177 PolarHBondContact OD1-NH1 3.44Å; E173-R177 WeakPolarHBondContact O-CB 3.25Å; E173-R177 PolarHBondContact O-N 3.44Å; E173-R177 VanDerWaalsContact O-N 3.07Å; I174-R177 PolarHBondContact O-N 2.84Å; K175-R177 VanDerWaalsContact C-N 3.33Å; K175-R177 PolarHBondContact O-N 2.64Å; R177-G179 VanDerWaalsContact C-N 3.3Å; R177-G179 PolarHBondContact O-N 3.26Å
178M83.3Confident73.7Confident46 Ų4663.5 Ų63.523%0.22742%0.415CS..Hα-helixtrans-77.4-15.6-174.3-67.5-151.9-57.300114.1Y12 F14 I174 K175 A182Y12-M178 HydrophobicContact CD1-CE 4.29Å; F14-M178 HydrophobicContact CD1-CE 3.7Å; F14-M178 HydrophobicContact CE1-CE 3.04Å; F14-M178 HydrophobicContact CZ-CE 3.83Å; I174-M178 HydrophobicContact CG2-CE 4.02Å; I174-M178 HydrophobicContact CG2-CG 4.41Å; I174-M178 HydrophobicContact CG2-SD 4.44Å; I174-M178 WeakPolarHBondContact O-CG 3.46Å; I174-M178 PolarHBondContact O-N 2.88Å; K175-M178 PolarHBondContact O-N 3.25Å; M178-A182 HydrophobicContact CB-CB 3.72Å; M178-A182 HydrophobicContact CG-CB 4.47Å; M178-A182 WeakPolarHBondContact O-CB 3.47Å; M178-A182 HydrophobicContact SD-CB 4.28Å
179G70.8Confident71.3Confident26 Ų2672.7 Ų72.727%0.26845%0.447SS..G310 helixtrans64178.2175.600000114.1K175 R177 G181K175-G179 PolarHBondContact O-N 2.87Å; R177-G179 VanDerWaalsContact C-N 3.3Å; R177-G179 PolarHBondContact O-N 3.26Å; G179-G181 PolarHBondContact O-N 2.91Å
180P59.1Low68.9Low132 Ų13275.9 Ų75.986%0.85747%0.471SS*.G310 helixtrans-65.9-2.4-176.6-20.532.2000115.9
181G52.6Low66.2Low67 Ų6783 Ų8369%0.69151%0.509SS*.G310 helixtrans-111.2-6.4-169.600000116.5G179 T183G179-G181 PolarHBondContact O-N 2.91Å; G181-T183 VanDerWaalsContact C-N 3.34Å; G181-T183 PolarHBondContact O-N 2.78Å
182A54.2Low63.8Low40 Ų4089 Ų8933%0.33155%0.546SS..  trans-9358.1-178.400000112Y12 M178Y12-A182 WeakPolarHBondContact CE1-O 3.46Å; M178-A182 HydrophobicContact CB-CB 3.72Å; M178-A182 HydrophobicContact CG-CB 4.47Å; M178-A182 WeakPolarHBondContact O-CB 3.47Å; M178-A182 HydrophobicContact SD-CB 4.28Å
183T46.3Very low61.4Low91 Ų9196 Ų9656%0.55857%0.57SS**  trans-82.5123.8173.748.30000110.4G181 G185G181-T183 VanDerWaalsContact C-N 3.34Å; G181-T183 PolarHBondContact O-N 2.78Å; T183-G185 PolarHBondContact O-N 2.88Å
184A49.6Very low59.2Low62 Ų6299.6 Ų99.651%0.51259%0.589SS.*SBendtrans35.219.5155.300000121.5P8P8-A184 HydrophobicContact CG-CB 4.37Å
185G45.3Very low56.9Low67 Ų67107.3 Ų107.369%0.69163%0.625SS**  trans-101.9-9.9-174.100000116.3T183T183-G185 PolarHBondContact O-N 2.88Å
186A44.7Very low54.8Low105 Ų105110.8 Ų110.887%0.86865%0.654SS**THydrogen-bonded Turntrans-90.73-173.600000114.6D188A186-D188 VanDerWaalsContact C-N 3.35Å
187A47.1Very low53Low86 Ų86111.7 Ų111.771%0.71166%0.658SS**THydrogen-bonded Turntrans-82.4-4.5-17800000114.6
188D45.9Very low51Low137 Ų137112.8 Ų112.873%0.73368%0.677SS**  trans-12448.7-172.3-161.526.6000115.2A186A186-D188 VanDerWaalsContact C-N 3.35Å
189R47.4Very low49.3Very low238 Ų238116.9 Ų116.990%0.89870%0.704SS**SBendtrans-139.774.2160.2-72.3-166.6-178.2174.31.9111.9
190S46.6Very low48.3Very low106 Ų106122.7 Ų122.774%0.74173%0.729SS**  trans156.151.9134.767.60000112.3
191N40.9Very low47.7Very low152 Ų152123.1 Ų123.181%0.81373%0.729SS**  trans-102.491.7155.8-86.5-10.5000107.5K193N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 2.96Å
192V45Very low47.3Very low126 Ų126125.2 Ų125.276%0.76473%0.733SS**  trans-59.6101164178.60000106.1I194V192-I194 HydrophobicContact CG1-CG1 3.96Å; V192-I194 PolarHBondContact O-N 3.09Å
193K45.9Very low47Very low184 Ų184129.3 Ų129.380%0.876%0.76SS**  trans-64.891.9166.1-87.5-178.5177.2174.90107N191 Q195N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 2.96Å; K193-Q195 PolarHBondContact O-N 3.04Å
194I48.4Very low47Very low144 Ų144129 Ų12974%0.73878%0.775SS**  trans-68.591.8165.9-57.5178.8000106.1V192 S196V192-I194 HydrophobicContact CG1-CG1 3.96Å; V192-I194 PolarHBondContact O-N 3.09Å; I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 3.43Å; I194-S196 VanDerWaalsContact O-N 3.09Å
195Q47.8Very low46.8Very low161 Ų161129.9 Ų129.975%0.75279%0.79SS**  trans-7491.6163.4-75.1-173.81.200107.3K193 K197K193-Q195 PolarHBondContact O-N 3.04Å; Q195-K197 PolarHBondContact O-N 3.07Å
196S48.3Very low46.7Very low105 Ų105132.9 Ų132.973%0.73480%0.799SS**  trans-68.199.3165.254.50000108.2I194I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 3.43Å; I194-S196 VanDerWaalsContact O-N 3.09Å
197K54.3Low46.4Very low178 Ų178137.8 Ų137.877%0.77482%0.824SS**  trans-69.1131.5158.1-74.5-175175.9-179.30107.3Q195 V199Q195-K197 PolarHBondContact O-N 3.07Å; K197-V199 PolarHBondContact O-N 3.18Å
198P48.1Very low46.4Very low115 Ų115140.4 Ų140.475%0.74783%0.83SS**  trans-61.5130.2170.823.8-28.7000108.6N200P198-N200 PolarHBondContact O-N 3.32Å
199V47.8Very low46.4Very low132 Ų132140.6 Ų140.680%0.884%0.835SS**  trans-67.2111.7173.7174.30000107.3K197 T201K197-V199 PolarHBondContact O-N 3.18Å; V199-T201 PolarHBondContact O-N 3.23Å
200N48.2Very low46.3Very low149 Ų149135.2 Ų135.280%0.79783%0.832SS**  trans-68.5115.1165.7-89.7-12.7000108.1P198 S202P198-N200 PolarHBondContact O-N 3.32Å; N200-S202 PolarHBondContact O-N 3.23Å
201T48.1Very low46.3Very low141 Ų141136.9 Ų136.987%0.86584%0.837SS**  trans-63.5111.617145.50000110V199V199-T201 PolarHBondContact O-N 3.23Å
202S42.9Very low46.7Very low110 Ų110135.9 Ų135.977%0.76984%0.838SS**  trans-127.3123.115757.30000109N200N200-S202 PolarHBondContact O-N 3.23Å
203S48.5Very low46.8Very low127 Ų127136.6 Ų136.689%0.88884%0.843SS**  trans-39.4132.3175.949.60000115.9
204G47Very low46.8Very low85 Ų85133.2 Ų133.288%0.87685%0.846SS**  trans115.5120.2147.400000116.7
205G45.1Very low46.7Very low80 Ų80132.4 Ų132.483%0.82586%0.855SS**  trans129.8115.9154.300000115.7
206C43.1Very low46.6Very low130 Ų130130 Ų13088%0.87886%0.863SS**  trans-60141.4166.8-75.70000112.7
207C38.2Very low46.5Very low208 Ų208132.3 Ų132.3100%1.40588%0.875SS**  173.70118.6-89.50000108.8

Retrieved 207 of 207 residues in 173.1 ms (Link to these results)

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