A0A3Q0KP16_SCHMA Loading...

Syntaxin binding protein-1,2,3, putative

AlphaFold DB , UniProt , Accession A0A3Q0KP16, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 722 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
1M63.5Low89.2Confident96 Ų9628.8 Ų28.847%0.47316%0.164SC..  0111.70-79.8-164.3-66.100107.5M605M1-M605 HydrophobicContact CB-CE 3.72Å; M1-M605 HydrophobicContact CG-CE 4.06Å; M1-M605 HydrophobicContact CG-CG 4.41Å; M1-M605 HydrophobicContact SD-CE 4.41Å
2S82.8Confident89.6Confident6 Ų633.6 Ų33.64%0.04218%0.178CC..  trans-159.2126-172.5-179.20000110.4I4 N5 E6 S137S2-I4 PolarHBondContact O-N 3.43Å; S2-I4 WeakPolarHBondContact OG-CB 3.36Å; S2-I4 PolarHBondContact OG-N 3.19Å; S2-N5 WeakPolarHBondContact O-CB 3.32Å; S2-N5 PolarHBondContact O-N 3.29Å; S2-E6 PolarHBondContact O-N 2.97Å; S2-S137 WeakPolarHBondContact CB-OG 3.27Å; S2-S137 WeakPolarHBondContact OG-CA 3.41Å; S2-S137 WeakPolarHBondContact OG-CB 3.34Å; S2-S137 PolarHBondContact OG-OG 3.05Å
3L91.5Very high89.7Confident1 Ų141.2 Ų41.21%0.00521%0.208CC..Hα-helixtrans-54.8-37.7170.7177.364.6000111.5N5 E6 V7 F132 P134 S137 Y140 L179 V674L3-N5 VanDerWaalsContact C-N 3.26Å; L3-N5 PolarHBondContact O-N 3.36Å; L3-E6 PolarHBondContact O-N 2.99Å; L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 2.8Å; L3-F132 HydrophobicContact CD1-CE2 4.02Å; L3-F132 HydrophobicContact CD1-CZ 4.18Å; L3-F132 HydrophobicContact CD2-CE2 4.01Å; L3-F132 HydrophobicContact CG-CE2 4.2Å; L3-P134 HydrophobicContact CD2-CB 4.21Å; L3-P134 HydrophobicContact CG-CB 4.1Å; L3-S137 WeakPolarHBondContact CB-O 3.14Å; L3-S137 PolarHBondContact N-O 3.1Å; L3-Y140 HydrophobicContact CD2-CD1 4.35Å; L3-Y140 HydrophobicContact CD2-CG 4.44Å; L3-L179 HydrophobicContact CD1-CD1 4.45Å; L3-L179 HydrophobicContact CD1-CD2 3.66Å; L3-L179 HydrophobicContact CD1-CG 3.96Å; L3-V674 HydrophobicContact CD2-CG1 4.34Å
4I92.4Very high89.8Confident19 Ų1943.8 Ų43.810%0.09722%0.219CC..Hα-helixtrans-56.3-43.5174.4-65.6169.8000110.3S2 V7 A8 S40 C41 P134 D271S2-I4 PolarHBondContact O-N 3.43Å; S2-I4 WeakPolarHBondContact OG-CB 3.36Å; S2-I4 PolarHBondContact OG-N 3.19Å; I4-V7 PolarHBondContact O-N 3.29Å; I4-A8 VanDerWaalsContact O-CB 3.31Å; I4-A8 WeakPolarHBondContact O-CB 3.29Å; I4-A8 PolarHBondContact O-N 3.13Å; I4-S40 VanDerWaalsContact CG2-O 3.25Å; I4-S40 WeakPolarHBondContact CG2-O 3.32Å; I4-C41 HydrophobicContact CG2-CB 4.4Å; I4-P134 HydrophobicContact CG1-CB 3.96Å; I4-P134 HydrophobicContact CG1-CG 4.45Å; I4-D271 HydrophobicContact CD1-CB 4Å
5N91.6Very high90.1Very high66 Ų6640.9 Ų40.935%0.35320%0.204SC..Hα-helixtrans-68.6-36.1179.7-66.9-7.3000112.6S2 L3 A8 S9S2-N5 WeakPolarHBondContact O-CB 3.32Å; S2-N5 PolarHBondContact O-N 3.29Å; L3-N5 VanDerWaalsContact C-N 3.26Å; L3-N5 PolarHBondContact O-N 3.36Å; N5-A8 PolarHBondContact O-N 3.47Å; N5-S9 VanDerWaalsContact O-CB 3.31Å; N5-S9 WeakPolarHBondContact O-CB 3.5Å; N5-S9 PolarHBondContact O-N 3.12Å
6E92Very high90.3Very high33 Ų3338.4 Ų38.415%0.15419%0.192CC..Hα-helixtrans-67.3-41.9176.4-66.6-57.8142.800111.2S2 L3 S9 S10 T178 M605S2-E6 PolarHBondContact O-N 2.97Å; L3-E6 PolarHBondContact O-N 2.99Å; E6-S9 PolarHBondContact O-N 2.94Å; E6-S10 PolarHBondContact O-N 3.3Å; E6-T178 HydrophobicContact CB-CG2 4.27Å; E6-M605 HydrophobicContact CG-CB 4.49Å; E6-M605 HydrophobicContact CG-CG 4.05Å; E6-M605 HydrophobicContact CG-SD 3.64Å; E6-M605 WeakPolarHBondContact OE1-CB 3.21Å; E6-M605 WeakPolarHBondContact OE1-CG 3.41Å; E6-M605 PolarHBondContact OE1-N 2.85Å
7V94.8Very high90.3Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-61.3-48.2172173.80000110.6L3 I4 S9 S10 L11 V37 C41 V130 F132 P134 T178L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 2.8Å; I4-V7 PolarHBondContact O-N 3.29Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 3.06Å; V7-S10 PolarHBondContact O-N 2.7Å; V7-L11 HydrophobicContact CG1-CD1 3.89Å; V7-L11 HydrophobicContact CG1-CG 4.44Å; V7-L11 WeakPolarHBondContact O-CG 3.36Å; V7-L11 PolarHBondContact O-N 2.83Å; V7-V37 HydrophobicContact CG1-CG1 3.88Å; V7-C41 WeakPolarHBondContact CG1-SG 3.25Å; V7-V130 HydrophobicContact CG1-CG1 3.78Å; V7-V130 HydrophobicContact CG2-CG1 4.22Å; V7-F132 HydrophobicContact CG2-CE2 3.86Å; V7-F132 HydrophobicContact CG2-CZ 3.72Å; V7-P134 HydrophobicContact CB-CG 4.23Å; V7-P134 HydrophobicContact CG1-CG 4.24Å; V7-P134 HydrophobicContact CG2-CB 4.15Å; V7-P134 HydrophobicContact CG2-CG 4.01Å; V7-T178 HydrophobicContact CG2-CG2 3.83Å
8A94.1Very high90.1Very high10 Ų1044.8 Ų44.88%0.08322%0.219CC..Hα-helixtrans-58.4-42.5177.100000111.8I4 N5 L11 R12 C41 F42I4-A8 VanDerWaalsContact O-CB 3.31Å; I4-A8 WeakPolarHBondContact O-CB 3.29Å; I4-A8 PolarHBondContact O-N 3.13Å; N5-A8 PolarHBondContact O-N 3.47Å; A8-L11 PolarHBondContact O-N 3.44Å; A8-R12 WeakPolarHBondContact O-CB 3.19Å; A8-R12 PolarHBondContact O-N 2.84Å; A8-C41 HydrophobicContact CB-CB 3.98Å; A8-F42 HydrophobicContact CB-CE2 4.2Å; A8-F42 HydrophobicContact CB-CZ 4.06Å; A8-F42 WeakPolarHBondContact O-CZ 3.42Å
9S92.6Very high89.9Confident64 Ų6442.6 Ų42.645%0.44821%0.208SC..Hα-helixtrans-63.5-45177.2-171.20000111.7N5 E6 V7 R12 K13N5-S9 VanDerWaalsContact O-CB 3.31Å; N5-S9 WeakPolarHBondContact O-CB 3.5Å; N5-S9 PolarHBondContact O-N 3.12Å; E6-S9 PolarHBondContact O-N 2.94Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 3.06Å; S9-R12 PolarHBondContact O-N 3Å; S9-K13 WeakPolarHBondContact O-CB 3.48Å; S9-K13 PolarHBondContact O-N 2.88Å
10S91.7Very high89.7Confident21 Ų2143.3 Ų43.315%0.14722%0.217CC..Hα-helixtrans-60.4-48.1177.1-1740000111.7E6 V7 K13 H14E6-S10 PolarHBondContact O-N 3.3Å; V7-S10 PolarHBondContact O-N 2.7Å; S10-K13 PolarHBondContact O-N 3.02Å; S10-H14 WeakPolarHBondContact O-CB 3.47Å; S10-H14 PolarHBondContact O-N 3.44Å; S10-H14 PolarHBondContact O-ND1 2.87Å; S10-H14 PolarHBondContact OG-ND1 2.99Å
11L94.3Very high89.4Confident1 Ų149.5 Ų49.51%0.00524%0.243CC..Hα-helixtrans-64.2-43.3178.2-70.5171.4000111.9V7 A8 K13 V15 F16 V37 L38 F42 L128V7-L11 HydrophobicContact CG1-CD1 3.89Å; V7-L11 HydrophobicContact CG1-CG 4.44Å; V7-L11 WeakPolarHBondContact O-CG 3.36Å; V7-L11 PolarHBondContact O-N 2.83Å; A8-L11 PolarHBondContact O-N 3.44Å; L11-K13 PolarHBondContact O-N 3.15Å; L11-V15 HydrophobicContact CD2-CG2 4.14Å; L11-V15 WeakPolarHBondContact O-CA 3.48Å; L11-V15 WeakPolarHBondContact O-CB 3.48Å; L11-V15 PolarHBondContact O-N 3.02Å; L11-F16 HydrophobicContact CB-CE2 4.36Å; L11-F16 PolarHBondContact O-N 3.22Å; L11-V37 HydrophobicContact CD1-CG1 4.09Å; L11-L38 HydrophobicContact CD1-CD1 3.91Å; L11-F42 HydrophobicContact CB-CE2 3.84Å; L11-F42 HydrophobicContact CB-CZ 4.07Å; L11-F42 HydrophobicContact CD1-CE2 3.8Å; L11-F42 HydrophobicContact CG-CE2 4.49Å; L11-L128 HydrophobicContact CD2-CD1 3.81Å
12R94.1Very high90.2Very high86 Ų8646.9 Ų46.933%0.32523%0.233SC..Iπ-helixtrans-56.7-52.7176.7-170.2178.2-55.6-110.93.3111.4A8 S9 F16 E17 Y50A8-R12 WeakPolarHBondContact O-CB 3.19Å; A8-R12 PolarHBondContact O-N 2.84Å; S9-R12 PolarHBondContact O-N 3Å; R12-F16 PolarHBondContact O-N 2.85Å; R12-E17 HydrophobicContact CG-CG 4.25Å; R12-E17 WeakPolarHBondContact O-CB 3.43Å; R12-E17 WeakPolarHBondContact O-CG 3.47Å; R12-E17 PolarHBondContact O-N 3.16Å; R12-Y50 VanDerWaalsContact CD-OH 3.22Å; R12-Y50 WeakPolarHBondContact CD-OH 3.45Å; R12-Y50 WeakPolarHBondContact CG-OH 3.44Å; R12-Y50 PolarHBondContact NH1-OH 2.94Å
13K90.7Very high90.2Very high132 Ų13252.4 Ų52.457%0.57427%0.268SS*.Iπ-helixtrans-67.7-47.5-176.9-177.9-178.6176.3-173.60112.9S9 S10 L11S9-K13 WeakPolarHBondContact O-CB 3.48Å; S9-K13 PolarHBondContact O-N 2.88Å; S10-K13 PolarHBondContact O-N 3.02Å; L11-K13 PolarHBondContact O-N 3.15Å
14H90.7Very high90.1Very high78 Ų7854.9 Ų54.936%0.36129%0.294SS..Iπ-helixtrans-89.7-27.3-169-59.9110.5000113.5S10 F100 L128S10-H14 WeakPolarHBondContact O-CB 3.47Å; S10-H14 PolarHBondContact O-N 3.44Å; S10-H14 PolarHBondContact O-ND1 2.87Å; S10-H14 PolarHBondContact OG-ND1 2.99Å; H14-F100 WeakPolarHBondContact O-CE1 3.4Å; H14-L128 HydrophobicContact CB-CD2 4.01Å
15V94.2Very high90.1Very high0 Ų061.4 Ų61.40%032%0.318CS..Iπ-helixtrans-104.3-70.6179.1-1730000110.1L11 K18 V19 I70 I72 F100 L128L11-V15 HydrophobicContact CD2-CG2 4.14Å; L11-V15 WeakPolarHBondContact O-CA 3.48Å; L11-V15 WeakPolarHBondContact O-CB 3.48Å; L11-V15 PolarHBondContact O-N 3.02Å; V15-K18 PolarHBondContact O-N 2.71Å; V15-V19 WeakPolarHBondContact O-CB 3.25Å; V15-V19 VanDerWaalsContact O-CG2 3.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 2.95Å; V15-I70 HydrophobicContact CG1-CG2 4.13Å; V15-I72 HydrophobicContact CG1-CD1 4.1Å; V15-F100 HydrophobicContact CB-CE1 4.3Å; V15-F100 HydrophobicContact CB-CZ 4.36Å; V15-F100 HydrophobicContact CG1-CD2 3.98Å; V15-F100 HydrophobicContact CG1-CE1 4.33Å; V15-F100 HydrophobicContact CG1-CE2 3.81Å; V15-F100 HydrophobicContact CG1-CG 4.33Å; V15-F100 HydrophobicContact CG1-CZ 3.99Å; V15-F100 HydrophobicContact CG2-CD1 3.81Å; V15-F100 HydrophobicContact CG2-CE1 4.03Å; V15-F100 HydrophobicContact CG2-CG 4.07Å; V15-L128 HydrophobicContact CG2-CD1 3.84Å; V15-L128 HydrophobicContact CG2-CD2 3.6Å; V15-L128 HydrophobicContact CG2-CG 4.35Å
16F93.2Very high90.3Very high1 Ų158.5 Ų58.50%0.00430%0.302CS..Iπ-helixtrans-71.5-46.3-161-63.2-52000113.6L11 R12 K18 V19 S20 L38 F42 Y50 I52L11-F16 HydrophobicContact CB-CE2 4.36Å; L11-F16 PolarHBondContact O-N 3.22Å; R12-F16 PolarHBondContact O-N 2.85Å; F16-K18 VanDerWaalsContact C-N 3.25Å; F16-K18 PolarHBondContact O-N 3.08Å; F16-V19 PolarHBondContact O-N 2.96Å; F16-S20 VanDerWaalsContact O-CB 3.28Å; F16-S20 WeakPolarHBondContact O-CB 3.4Å; F16-S20 PolarHBondContact O-N 3.19Å; F16-S20 PolarHBondContact O-OG 2.87Å; F16-L38 HydrophobicContact CE2-CD1 4.34Å; F16-L38 HydrophobicContact CZ-CD1 3.93Å; F16-L38 HydrophobicContact CZ-CD2 4.19Å; F16-L38 HydrophobicContact CZ-CG 4.48Å; F16-F42 HydrophobicContact CD2-CE1 4.21Å; F16-F42 HydrophobicContact CD2-CZ 4.03Å; F16-F42 HydrophobicContact CE2-CD1 4.46Å; F16-F42 HydrophobicContact CE2-CD2 4.3Å; F16-F42 HydrophobicContact CE2-CE1 4.05Å; F16-F42 AromaticContact CE2-CE2 3.89Å; F16-F42 HydrophobicContact CE2-CE2 3.89Å; F16-F42 AromaticContact CE2-CZ 3.74Å; F16-F42 HydrophobicContact CE2-CZ 3.74Å; F16-Y50 HydrophobicContact CB-CD1 3.66Å; F16-Y50 HydrophobicContact CB-CD2 3.8Å; F16-Y50 HydrophobicContact CB-CE1 3.99Å; F16-Y50 HydrophobicContact CB-CE2 4.12Å; F16-Y50 HydrophobicContact CB-CG 3.57Å; F16-Y50 HydrophobicContact CD2-CD2 4.33Å; F16-Y50 HydrophobicContact CD2-CE2 4.45Å; F16-Y50 AromaticContact CG-CD2 4Å; F16-Y50 HydrophobicContact CG-CD2 4Å; F16-Y50 HydrophobicContact CG-CE2 4.44Å; F16-Y50 HydrophobicContact CG-CG 4.14Å; F16-I52 HydrophobicContact CD1-CD1 3.75Å; F16-I52 HydrophobicContact CE1-CD1 3.55Å
17E90.5Very high90.5Very high88 Ų8856.9 Ų56.941%0.41130%0.295SS..Hα-helixtrans-66.4-27.6175.4-72175.2-175.600112.9R12 S20 Y50R12-E17 HydrophobicContact CG-CG 4.25Å; R12-E17 WeakPolarHBondContact O-CB 3.43Å; R12-E17 WeakPolarHBondContact O-CG 3.47Å; R12-E17 PolarHBondContact O-N 3.16Å; E17-S20 WeakPolarHBondContact CA-OG 3.47Å; E17-S20 PolarHBondContact O-OG 3.07Å; E17-Y50 HydrophobicContact CG-CE1 4.41Å
18K87.7Confident90.6Very high104 Ų10456.9 Ų56.945%0.45230%0.295SS..Hα-helixtrans-75.1-40.4177.9-168.6167.9-175.61700111V15 F16 I126V15-K18 PolarHBondContact O-N 2.71Å; F16-K18 VanDerWaalsContact C-N 3.25Å; F16-K18 PolarHBondContact O-N 3.08Å; K18-I126 HydrophobicContact CD-CD1 3.97Å
19V86.4Confident90.8Very high3 Ų356.5 Ų56.52%0.01829%0.291CS..Hα-helixtrans-83.6-28.5-177.2178.60000112.3V15 F16 K21 T22 K26 I70 H98 F100V15-V19 WeakPolarHBondContact O-CB 3.25Å; V15-V19 VanDerWaalsContact O-CG2 3.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 2.95Å; F16-V19 PolarHBondContact O-N 2.96Å; V19-K21 PolarHBondContact O-N 3.46Å; V19-K21 VanDerWaalsContact O-N 3.15Å; V19-T22 PolarHBondContact O-N 2.82Å; V19-K26 HydrophobicContact CG1-CD 3.27Å; V19-K26 VanDerWaalsContact CG1-CE 3.48Å; V19-K26 WeakPolarHBondContact O-CE 3.37Å; V19-K26 PolarHBondContact O-NZ 2.57Å; V19-I70 HydrophobicContact CB-CD1 4.15Å; V19-I70 HydrophobicContact CG1-CD1 3.49Å; V19-I70 VanDerWaalsContact CG1-CD1 3.49Å; V19-I70 HydrophobicContact CG1-CG1 3.85Å; V19-I70 HydrophobicContact CG2-CD1 4.43Å; V19-H98 HydrophobicContact CG2-CB 4.3Å; V19-F100 HydrophobicContact CG2-CE2 3.82Å; V19-F100 HydrophobicContact CG2-CZ 3.69Å
20S85.8Confident91Very high56 Ų5653.9 Ų53.939%0.39227%0.272SS..THydrogen-bonded Turntrans-61.9-21.2176.265.40000113.4F16 E17 T22F16-S20 VanDerWaalsContact O-CB 3.28Å; F16-S20 WeakPolarHBondContact O-CB 3.4Å; F16-S20 PolarHBondContact O-N 3.19Å; F16-S20 PolarHBondContact O-OG 2.87Å; E17-S20 WeakPolarHBondContact CA-OG 3.47Å; E17-S20 PolarHBondContact O-OG 3.07Å; S20-T22 PolarHBondContact O-N 3.24Å
21K83.5Confident91.3Very high174 Ų17452.9 Ų52.976%0.75727%0.265SS*.THydrogen-bonded Turntrans-63.7-23.6173.6-64.9177.8-175.5-177.40113.5V19V19-K21 PolarHBondContact O-N 3.46Å; V19-K21 VanDerWaalsContact O-N 3.15Å
22T80.4Confident91.3Very high42 Ų4256.3 Ų56.326%0.25828%0.283SS..SBendtrans-82.9122.9173.9-47.60000108.5V19 S20 K26V19-T22 PolarHBondContact O-N 2.82Å; S20-T22 PolarHBondContact O-N 3.24Å; T22-K26 WeakPolarHBondContact O-CE 3.17Å; T22-K26 PolarHBondContact O-NZ 3.47Å
23P82.5Confident91.3Very high121 Ų12152.3 Ų52.379%0.78627%0.269SS*.  trans-66.1152.3-178.527-33.9000111.7
24G88.8Confident91.6Very high54 Ų5446.1 Ų46.156%0.55724%0.242SC*.SBendtrans95.7162.4176.500000114.7K26G24-K26 PolarHBondContact O-NZ 2.9Å
25W93.7Very high91.8Very high155 Ų15545 Ų4559%0.58724%0.24SC*.  trans-68.9151.6178.1-67.6110.3000111.8G51 T53 M67W25-G51 CarbonylContact C-O 3.53Å; W25-G51 WeakPolarHBondContact CA-O 3.18Å; W25-T53 HydrophobicContact CB-CG2 4.15Å; W25-M67 HydrophobicContact CB-CE 3.2Å; W25-M67 HydrophobicContact CG-CE 4.48Å; W25-M67 WeakPolarHBondContact O-CE 3.39Å
26K95.4Very high91.7Very high5 Ų548.9 Ų48.92%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-135.5158.2-176.4-55.8176.8-170.568.90111.2V19 T22 G24 G51 I52 T53 H68 I70V19-K26 HydrophobicContact CG1-CD 3.27Å; V19-K26 VanDerWaalsContact CG1-CE 3.48Å; V19-K26 WeakPolarHBondContact O-CE 3.37Å; V19-K26 PolarHBondContact O-NZ 2.57Å; T22-K26 WeakPolarHBondContact O-CE 3.17Å; T22-K26 PolarHBondContact O-NZ 3.47Å; G24-K26 PolarHBondContact O-NZ 2.9Å; K26-G51 PolarHBondContact N-O 3.48Å; K26-I52 WeakPolarHBondContact O-CA 3.42Å; K26-T53 PolarHBondContact O-N 2.81Å; K26-H68 WeakPolarHBondContact CA-O 3.45Å; K26-H68 HydrophobicContact CG-CB 4.25Å; K26-I70 HydrophobicContact CB-CD1 4.28Å; K26-I70 HydrophobicContact CB-CG1 4.46Å; K26-I70 HydrophobicContact CD-CD1 4.08Å; K26-I70 HydrophobicContact CD-CG1 4.41Å
27V96Very high91.8Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-106.1133.6173.8-172.80000108.4I29 L54 E56 L65 M67 H68 A69 I70 Y94V27-I29 HydrophobicContact CG1-CD1 3.57Å; V27-I29 HydrophobicContact CG1-CG1 4.38Å; V27-L54 WeakPolarHBondContact CA-O 3.43Å; V27-L54 HydrophobicContact CG1-CB 4.13Å; V27-L54 HydrophobicContact CG1-CD2 4.09Å; V27-L54 HydrophobicContact CG1-CG 4.19Å; V27-L54 HydrophobicContact CG2-CB 4.45Å; V27-E56 HydrophobicContact CG1-CG 4.32Å; V27-L65 HydrophobicContact CG2-CD1 3.73Å; V27-M67 HydrophobicContact CG2-SD 4.44Å; V27-H68 PolarHBondContact N-O 2.97Å; V27-A69 CarbonylContact O-C 3.51Å; V27-A69 WeakPolarHBondContact O-CA 3.45Å; V27-I70 PolarHBondContact O-N 2.99Å; V27-Y94 HydrophobicContact CB-CE1 4.26Å; V27-Y94 HydrophobicContact CG1-CE1 4.36Å; V27-Y94 HydrophobicContact CG2-CE1 4.22Å
28L97Very high91.9Very high0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-100.7121174.4176.162.7000109.3M30 L38 I47 I52 L54 V55 E56 I70 I72L28-M30 HydrophobicContact CD1-CG 4.09Å; L28-M30 HydrophobicContact CD1-SD 4.42Å; L28-M30 HydrophobicContact CD2-CE 4.26Å; L28-M30 HydrophobicContact CD2-CG 4.45Å; L28-M30 HydrophobicContact CD2-SD 3.94Å; L28-M30 HydrophobicContact CG-CG 3.98Å; L28-M30 HydrophobicContact CG-SD 4.13Å; L28-L38 HydrophobicContact CD2-CD2 3.76Å; L28-I47 HydrophobicContact CD2-CG2 4.12Å; L28-I52 HydrophobicContact CB-CD1 4.48Å; L28-I52 HydrophobicContact CB-CG2 3.73Å; L28-I52 HydrophobicContact CD2-CD1 4.42Å; L28-L54 PolarHBondContact N-O 2.71Å; L28-V55 HydrophobicContact CB-CG2 4.3Å; L28-V55 HydrophobicContact CD2-CG1 4.31Å; L28-V55 HydrophobicContact CD2-CG2 4.24Å; L28-V55 HydrophobicContact CG-CG1 4.44Å; L28-V55 CarbonylContact O-C 3.53Å; L28-V55 VanDerWaalsContact O-CA 3.31Å; L28-V55 WeakPolarHBondContact O-CA 3.35Å; L28-E56 PolarHBondContact O-N 3.39Å; L28-I70 CarbonylContact C-O 3.52Å; L28-I70 HydrophobicContact CD1-CB 3.98Å; L28-I70 HydrophobicContact CD1-CG2 3.85Å; L28-I72 HydrophobicContact CD1-CD1 3.79Å; L28-I72 HydrophobicContact CD1-CG1 3.95Å
29I97.9Very high92.1Very high1 Ų143.8 Ų43.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-113126-179.8-50.3-59.6000108.5V27 E56 L58 A69 I70 Y71 I72 Y94V27-I29 HydrophobicContact CG1-CD1 3.57Å; V27-I29 HydrophobicContact CG1-CG1 4.38Å; I29-E56 WeakPolarHBondContact CA-O 3.43Å; I29-E56 HydrophobicContact CD1-CB 3.77Å; I29-E56 HydrophobicContact CD1-CG 4.26Å; I29-L58 HydrophobicContact CG2-CB 4.12Å; I29-L58 HydrophobicContact CG2-CD1 3.7Å; I29-A69 HydrophobicContact CG1-CB 4.3Å; I29-I70 PolarHBondContact N-O 3.28Å; I29-Y71 HydrophobicContact CB-CD1 3.71Å; I29-Y71 HydrophobicContact CB-CE1 3.85Å; I29-Y71 HydrophobicContact CB-CG 4.3Å; I29-Y71 HydrophobicContact CG1-CD1 4.3Å; I29-Y71 HydrophobicContact CG1-CE1 4.01Å; I29-Y71 HydrophobicContact CG2-CD1 3.74Å; I29-Y71 HydrophobicContact CG2-CE1 3.73Å; I29-Y71 WeakPolarHBondContact O-CA 3.04Å; I29-I72 PolarHBondContact O-N 3.1Å; I29-Y94 VanDerWaalsContact CD1-OH 3.3Å; I29-Y94 WeakPolarHBondContact CD1-OH 3.11Å; I29-Y94 HydrophobicContact CG1-CE2 4.43Å
30M97.7Very high92.2Very high9 Ų945.5 Ų45.54%0.04425%0.254CS..EExtended strand (participates in β ladder)trans-134.1143.2-175.9-62.6-172.6-60.600112.6L28 A34 T35 L38 V55 E56 S57 L58 I72L28-M30 HydrophobicContact CD1-CG 4.09Å; L28-M30 HydrophobicContact CD1-SD 4.42Å; L28-M30 HydrophobicContact CD2-CE 4.26Å; L28-M30 HydrophobicContact CD2-CG 4.45Å; L28-M30 HydrophobicContact CD2-SD 3.94Å; L28-M30 HydrophobicContact CG-CG 3.98Å; L28-M30 HydrophobicContact CG-SD 4.13Å; M30-A34 HydrophobicContact CB-CB 4Å; M30-A34 HydrophobicContact CG-CB 4.27Å; M30-A34 HydrophobicContact SD-CB 4.49Å; M30-T35 HydrophobicContact CE-CG2 4.44Å; M30-L38 HydrophobicContact CE-CB 4.46Å; M30-L38 HydrophobicContact CE-CD2 4.13Å; M30-L38 HydrophobicContact SD-CB 3.94Å; M30-L38 HydrophobicContact SD-CD1 4.35Å; M30-L38 HydrophobicContact SD-CD2 3.72Å; M30-L38 HydrophobicContact SD-CG 4.22Å; M30-V55 HydrophobicContact CE-CG1 3.57Å; M30-E56 PolarHBondContact N-O 2.94Å; M30-S57 CarbonylContact O-C 3.51Å; M30-S57 WeakPolarHBondContact O-CA 3.38Å; M30-L58 WeakPolarHBondContact O-CB 3.43Å; M30-L58 PolarHBondContact O-N 3.13Å; M30-I72 WeakPolarHBondContact CA-O 3.18Å; M30-I72 HydrophobicContact CG-CB 4.28Å
31D97Very high92.4Very high0 Ų043.8 Ų43.80%024%0.242CC..  trans-76.6177162.473.1-3.4000111A33 A34 T35 L58 I72 M73 R74 E79D31-A33 VanDerWaalsContact C-N 3.29Å; D31-A33 PolarHBondContact O-N 3.48Å; D31-A33 PolarHBondContact OD1-N 3.45Å; D31-A34 PolarHBondContact O-N 3.43Å; D31-A34 WeakPolarHBondContact OD1-CB 3.37Å; D31-A34 PolarHBondContact OD1-N 2.97Å; D31-T35 WeakPolarHBondContact O-CB 3.46Å; D31-T35 PolarHBondContact O-N 3.42Å; D31-T35 PolarHBondContact O-OG1 3.39Å; D31-L58 HydrophobicContact CB-CB 4.5Å; D31-L58 HydrophobicContact CB-CD2 4.22Å; D31-I72 PolarHBondContact N-O 3.32Å; D31-M73 HydrophobicContact CB-CB 4.34Å; D31-R74 PolarHBondContact OD2-N 3.26Å; D31-E79 HydrophobicContact CB-CG 4.15Å
32D94.7Very high92.7Very high74 Ų7436.1 Ų36.140%0.39621%0.209SC..Hα-helixtrans-64.1-36.1-176.1-56.3-24000111.9T35 R36 N59D32-T35 PolarHBondContact O-N 3.4Å; D32-R36 PolarHBondContact O-N 3.37Å; D32-R36 VanDerWaalsContact O-N 3.13Å; D32-N59 PolarHBondContact OD1-ND2 3.44Å
33A93.9Very high93Very high2 Ų241.2 Ų41.22%0.01723%0.227CC..Hα-helixtrans-67.6-50.8178.900000111D31 T35 R36 V37 R74 L102D31-A33 VanDerWaalsContact C-N 3.29Å; D31-A33 PolarHBondContact O-N 3.48Å; D31-A33 PolarHBondContact OD1-N 3.45Å; A33-T35 VanDerWaalsContact C-N 3.25Å; A33-T35 PolarHBondContact O-N 3.46Å; A33-R36 PolarHBondContact O-N 3.24Å; A33-R36 VanDerWaalsContact O-N 3.12Å; A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 3.14Å; A33-R74 HydrophobicContact CB-CG 4.2Å; A33-L102 HydrophobicContact CB-CD1 4.07Å
34A96.2Very high93.3Very high1 Ų141 Ų411%0.00822%0.217CC..Hα-helixtrans-60.1-38.2176.800000111.5M30 D31 R36 V37 L38 I72 L102M30-A34 HydrophobicContact CB-CB 4Å; M30-A34 HydrophobicContact CG-CB 4.27Å; M30-A34 HydrophobicContact SD-CB 4.49Å; D31-A34 PolarHBondContact O-N 3.43Å; D31-A34 WeakPolarHBondContact OD1-CB 3.37Å; D31-A34 PolarHBondContact OD1-N 2.97Å; A34-R36 VanDerWaalsContact C-N 3.34Å; A34-R36 PolarHBondContact O-N 3.1Å; A34-V37 PolarHBondContact O-N 3.26Å; A34-L38 WeakPolarHBondContact O-CB 3.44Å; A34-L38 PolarHBondContact O-N 2.95Å; A34-I72 HydrophobicContact CB-CB 4.02Å; A34-I72 HydrophobicContact CB-CG2 3.72Å; A34-I72 WeakPolarHBondContact CB-O 3.35Å; A34-L102 HydrophobicContact CB-CD1 4.14Å; A34-L102 HydrophobicContact CB-CD2 4.47Å
35T95.4Very high93.3Very high54 Ų5445.1 Ų45.133%0.33122%0.222SC..Hα-helixtrans-57.9-46.1174.9-59.10000111.3M30 D31 D32 A33 L38 S39M30-T35 HydrophobicContact CE-CG2 4.44Å; D31-T35 WeakPolarHBondContact O-CB 3.46Å; D31-T35 PolarHBondContact O-N 3.42Å; D31-T35 PolarHBondContact O-OG1 3.39Å; D32-T35 PolarHBondContact O-N 3.4Å; A33-T35 VanDerWaalsContact C-N 3.25Å; A33-T35 PolarHBondContact O-N 3.46Å; T35-L38 PolarHBondContact O-N 3.02Å; T35-S39 VanDerWaalsContact O-CB 3.29Å; T35-S39 WeakPolarHBondContact O-CB 3.34Å; T35-S39 PolarHBondContact O-N 3.46Å; T35-S39 PolarHBondContact O-OG 3.1Å; T35-S39 VanDerWaalsContact O-OG 3.07Å
36R92.7Very high93.1Very high82 Ų8240 Ų4031%0.30921%0.206SC..Hα-helixtrans-68.2-38.4177.8-72.2-169.3-68.1-89.73.8113.1D32 A33 A34 L38 S39 S40 I133 E143D32-R36 PolarHBondContact O-N 3.37Å; D32-R36 VanDerWaalsContact O-N 3.13Å; A33-R36 PolarHBondContact O-N 3.24Å; A33-R36 VanDerWaalsContact O-N 3.12Å; A34-R36 VanDerWaalsContact C-N 3.34Å; A34-R36 PolarHBondContact O-N 3.1Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-S39 PolarHBondContact O-OG 2.6Å; R36-S40 WeakPolarHBondContact O-CB 3.43Å; R36-S40 PolarHBondContact O-N 3.13Å; R36-S40 PolarHBondContact O-OG 3.02Å; R36-I133 HydrophobicContact CB-CD1 3.69Å; R36-I133 HydrophobicContact CB-CG1 4.33Å; R36-I133 HydrophobicContact CB-CG2 4.39Å; R36-E143 WeakPolarHBondContact CD-OE1 3.23Å; R36-E143 IonicContact CZ-OE1 2.63Å; R36-E143 IonicContact CZ-OE2 2.86Å; R36-E143 IonicContact NE-OE1 3.03Å; R36-E143 PolarHBondContact NE-OE1 2.86Å; R36-E143 IonicContact NE-OE2 2.8Å; R36-E143 PolarHBondContact NE-OE2 3.07Å; R36-E143 IonicContact NH2-OE1 3.36Å; R36-E143 IonicContact NH2-OE2 2.97Å; R36-E143 PolarHBondContact NH2-OE2 2.75Å
37V94.5Very high92.9Very high2 Ų240.2 Ų40.21%0.01221%0.207CC..Hα-helixtrans-60.6-47.4174.3177.20000110.1V7 L11 A33 A34 C41 V130 F132 I133V7-V37 HydrophobicContact CG1-CG1 3.88Å; L11-V37 HydrophobicContact CD1-CG1 4.09Å; A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 3.14Å; A34-V37 PolarHBondContact O-N 3.26Å; V37-C41 PolarHBondContact O-SG 2.77Å; V37-V130 HydrophobicContact CG1-CG1 3.93Å; V37-F132 WeakPolarHBondContact CG2-O 3.45Å; V37-I133 HydrophobicContact CG2-CD1 3.55Å
38L93.9Very high92.7Very high3 Ų343.1 Ų43.12%0.01623%0.225CC..Hα-helixtrans-71.2-45.2-174.8-141.491.4000112.4L11 F16 L28 M30 A34 T35 R36 S40 C41 F42 I47 I72L11-L38 HydrophobicContact CD1-CD1 3.91Å; F16-L38 HydrophobicContact CE2-CD1 4.34Å; F16-L38 HydrophobicContact CZ-CD1 3.93Å; F16-L38 HydrophobicContact CZ-CD2 4.19Å; F16-L38 HydrophobicContact CZ-CG 4.48Å; L28-L38 HydrophobicContact CD2-CD2 3.76Å; M30-L38 HydrophobicContact CE-CB 4.46Å; M30-L38 HydrophobicContact CE-CD2 4.13Å; M30-L38 HydrophobicContact SD-CB 3.94Å; M30-L38 HydrophobicContact SD-CD1 4.35Å; M30-L38 HydrophobicContact SD-CD2 3.72Å; M30-L38 HydrophobicContact SD-CG 4.22Å; A34-L38 WeakPolarHBondContact O-CB 3.44Å; A34-L38 PolarHBondContact O-N 2.95Å; T35-L38 PolarHBondContact O-N 3.02Å; R36-L38 VanDerWaalsContact C-N 3.33Å; L38-S40 PolarHBondContact O-N 3.37Å; L38-C41 PolarHBondContact O-N 2.93Å; L38-F42 HydrophobicContact CD1-CD2 4.4Å; L38-F42 HydrophobicContact CG-CD2 4.05Å; L38-F42 PolarHBondContact O-N 3.29Å; L38-I47 HydrophobicContact CD2-CD1 3.5Å; L38-I47 VanDerWaalsContact CD2-CD1 3.5Å; L38-I47 HydrophobicContact CD2-CG1 4.19Å; L38-I72 HydrophobicContact CD1-CD1 4.04Å
39S91.1Very high92.4Very high82 Ų8250 Ų5057%0.57326%0.257SS*.Hα-helixtrans-63.8-24.7-179.7670000112.9T35 R36 C41T35-S39 VanDerWaalsContact O-CB 3.29Å; T35-S39 WeakPolarHBondContact O-CB 3.34Å; T35-S39 PolarHBondContact O-N 3.46Å; T35-S39 PolarHBondContact O-OG 3.1Å; T35-S39 VanDerWaalsContact O-OG 3.07Å; R36-S39 PolarHBondContact O-OG 2.6Å; S39-C41 VanDerWaalsContact C-N 3.28Å
40S87.5Confident92Very high38 Ų3851.6 Ų51.627%0.26626%0.264SS..THydrogen-bonded Turntrans-73.1-21.6173.9-56.40000112.9I4 R36 L38 P134I4-S40 VanDerWaalsContact CG2-O 3.25Å; I4-S40 WeakPolarHBondContact CG2-O 3.32Å; R36-S40 WeakPolarHBondContact O-CB 3.43Å; R36-S40 PolarHBondContact O-N 3.13Å; R36-S40 PolarHBondContact O-OG 3.02Å; L38-S40 PolarHBondContact O-N 3.37Å; S40-P134 WeakPolarHBondContact CB-O 3.46Å
41C90.2Very high91.8Very high21 Ų2152 Ų5214%0.14227%0.27CS..THydrogen-bonded Turntrans-117-26.3-168.2-59.90000114.2I4 V7 A8 V37 L38 S39I4-C41 HydrophobicContact CG2-CB 4.4Å; V7-C41 WeakPolarHBondContact CG1-SG 3.25Å; A8-C41 HydrophobicContact CB-CB 3.98Å; V37-C41 PolarHBondContact O-SG 2.77Å; L38-C41 PolarHBondContact O-N 2.93Å; S39-C41 VanDerWaalsContact C-N 3.28Å
42F90.4Very high91.7Very high12 Ų1252.1 Ų52.15%0.05327%0.271CS..  trans-133.9140.7-172.3-64.4-89.5000111.5A8 L11 F16 L38 D46 I47A8-F42 HydrophobicContact CB-CE2 4.2Å; A8-F42 HydrophobicContact CB-CZ 4.06Å; A8-F42 WeakPolarHBondContact O-CZ 3.42Å; L11-F42 HydrophobicContact CB-CE2 3.84Å; L11-F42 HydrophobicContact CB-CZ 4.07Å; L11-F42 HydrophobicContact CD1-CE2 3.8Å; L11-F42 HydrophobicContact CG-CE2 4.49Å; F16-F42 HydrophobicContact CD2-CE1 4.21Å; F16-F42 HydrophobicContact CD2-CZ 4.03Å; F16-F42 HydrophobicContact CE2-CD1 4.46Å; F16-F42 HydrophobicContact CE2-CD2 4.3Å; F16-F42 HydrophobicContact CE2-CE1 4.05Å; F16-F42 AromaticContact CE2-CE2 3.89Å; F16-F42 HydrophobicContact CE2-CE2 3.89Å; F16-F42 AromaticContact CE2-CZ 3.74Å; F16-F42 HydrophobicContact CE2-CZ 3.74Å; L38-F42 HydrophobicContact CD1-CD2 4.4Å; L38-F42 HydrophobicContact CG-CD2 4.05Å; L38-F42 PolarHBondContact O-N 3.29Å; F42-D46 HydrophobicContact CB-CB 4.4Å; F42-D46 HydrophobicContact CD1-CB 3.93Å; F42-I47 HydrophobicContact CB-CD1 4.19Å; F42-I47 HydrophobicContact CB-CG1 3.93Å
43K87.7Confident91.6Very high150 Ų15052.4 Ų52.465%0.65228%0.275SS*.  trans-85.6162.6163.6-61.6-179.4-178.2177.40109.7Q45 D46 I47K43-Q45 PolarHBondContact O-N 2.7Å; K43-D46 WeakPolarHBondContact CB-OD2 3.47Å; K43-D46 PolarHBondContact N-OD2 3.1Å; K43-D46 WeakPolarHBondContact O-CB 3.48Å; K43-D46 PolarHBondContact O-N 3.36Å; K43-D46 VanDerWaalsContact O-N 3.13Å; K43-I47 PolarHBondContact O-N 3.03Å
44M88Confident91.6Very high116 Ų11655.6 Ų55.657%0.57129%0.292SS*.Hα-helixtrans-57.4-37.7178-166.758.358.600112.5I47 T48 V55M44-I47 PolarHBondContact O-N 2.94Å; M44-T48 WeakPolarHBondContact O-CG2 3.42Å; M44-T48 PolarHBondContact O-N 2.87Å; M44-T48 VanDerWaalsContact O-N 3.11Å; M44-T48 PolarHBondContact O-OG1 3.05Å; M44-V55 HydrophobicContact CE-CG2 4.3Å; M44-V55 HydrophobicContact SD-CG2 3.92Å
45Q89.1Confident91.6Very high141 Ų14157.8 Ų57.866%0.65931%0.305SS*.Hα-helixtrans-59.6-47.3177.1-69.5171.5-18.700111.4K43 I47 T48 E49K43-Q45 PolarHBondContact O-N 2.7Å; Q45-I47 PolarHBondContact O-N 3.2Å; Q45-T48 PolarHBondContact O-N 3.15Å; Q45-T48 VanDerWaalsContact O-N 3.15Å; Q45-T48 PolarHBondContact O-OG1 2.72Å; Q45-E49 PolarHBondContact O-N 3.01Å
46D89.5Confident91.6Very high48 Ų4857.1 Ų57.126%0.25730%0.298SS..Hα-helixtrans-58.4-36.7179.1-50.3-35.9000111.9F42 K43 Y50F42-D46 HydrophobicContact CB-CB 4.4Å; F42-D46 HydrophobicContact CD1-CB 3.93Å; K43-D46 WeakPolarHBondContact CB-OD2 3.47Å; K43-D46 PolarHBondContact N-OD2 3.1Å; K43-D46 WeakPolarHBondContact O-CB 3.48Å; K43-D46 PolarHBondContact O-N 3.36Å; K43-D46 VanDerWaalsContact O-N 3.13Å; D46-Y50 WeakPolarHBondContact O-CD2 3.24Å; D46-Y50 WeakPolarHBondContact O-CE2 3.26Å
47I91.2Very high91.7Very high8 Ų854.8 Ų54.84%0.04129%0.294CS..Hα-helixtrans-72.5-41.2-179.2-61.2168.7000110.5L28 L38 F42 K43 M44 Q45 E49 Y50 I52 V55L28-I47 HydrophobicContact CD2-CG2 4.12Å; L38-I47 HydrophobicContact CD2-CD1 3.5Å; L38-I47 VanDerWaalsContact CD2-CD1 3.5Å; L38-I47 HydrophobicContact CD2-CG1 4.19Å; F42-I47 HydrophobicContact CB-CD1 4.19Å; F42-I47 HydrophobicContact CB-CG1 3.93Å; K43-I47 PolarHBondContact O-N 3.03Å; M44-I47 PolarHBondContact O-N 2.94Å; Q45-I47 PolarHBondContact O-N 3.2Å; I47-E49 VanDerWaalsContact C-N 3.27Å; I47-E49 PolarHBondContact O-N 3.25Å; I47-Y50 PolarHBondContact O-N 3.14Å; I47-Y50 VanDerWaalsContact O-N 3.13Å; I47-I52 HydrophobicContact CG2-CB 3.84Å; I47-I52 HydrophobicContact CG2-CD1 3.51Å; I47-I52 HydrophobicContact CG2-CG1 4.27Å; I47-I52 HydrophobicContact CG2-CG2 3.77Å; I47-V55 HydrophobicContact CG2-CG2 4.42Å
48T91Very high91.9Very high62 Ų6254.8 Ų54.838%0.3829%0.294SS..Hα-helixtrans-64.5-29.5-178.454.60000113.5M44 Q45 Y50 G51 I52M44-T48 WeakPolarHBondContact O-CG2 3.42Å; M44-T48 PolarHBondContact O-N 2.87Å; M44-T48 VanDerWaalsContact O-N 3.11Å; M44-T48 PolarHBondContact O-OG1 3.05Å; Q45-T48 PolarHBondContact O-N 3.15Å; Q45-T48 VanDerWaalsContact O-N 3.15Å; Q45-T48 PolarHBondContact O-OG1 2.72Å; T48-Y50 PolarHBondContact O-N 3.46Å; T48-Y50 VanDerWaalsContact O-N 3.15Å; T48-G51 PolarHBondContact O-N 3.36Å; T48-I52 WeakPolarHBondContact CA-O 3.46Å
49E90Very high91.9Very high143 Ų14358.7 Ų58.767%0.66832%0.315SS*.THydrogen-bonded Turntrans-60.6-22.6175.3-69.6177.9-179.500113Q45 I47 G51Q45-E49 PolarHBondContact O-N 3.01Å; I47-E49 VanDerWaalsContact C-N 3.27Å; I47-E49 PolarHBondContact O-N 3.25Å; E49-G51 VanDerWaalsContact C-N 3.28Å; E49-G51 PolarHBondContact O-N 3.36Å
50Y90.9Very high91.9Very high36 Ų3658.1 Ų58.114%0.14131%0.31CS..THydrogen-bonded Turntrans-88.413.1177.2-66-70.2000114.3R12 F16 E17 D46 I47 T48R12-Y50 VanDerWaalsContact CD-OH 3.22Å; R12-Y50 WeakPolarHBondContact CD-OH 3.45Å; R12-Y50 WeakPolarHBondContact CG-OH 3.44Å; R12-Y50 PolarHBondContact NH1-OH 2.94Å; F16-Y50 HydrophobicContact CB-CD1 3.66Å; F16-Y50 HydrophobicContact CB-CD2 3.8Å; F16-Y50 HydrophobicContact CB-CE1 3.99Å; F16-Y50 HydrophobicContact CB-CE2 4.12Å; F16-Y50 HydrophobicContact CB-CG 3.57Å; F16-Y50 HydrophobicContact CD2-CD2 4.33Å; F16-Y50 HydrophobicContact CD2-CE2 4.45Å; F16-Y50 AromaticContact CG-CD2 4Å; F16-Y50 HydrophobicContact CG-CD2 4Å; F16-Y50 HydrophobicContact CG-CE2 4.44Å; F16-Y50 HydrophobicContact CG-CG 4.14Å; E17-Y50 HydrophobicContact CG-CE1 4.41Å; D46-Y50 WeakPolarHBondContact O-CD2 3.24Å; D46-Y50 WeakPolarHBondContact O-CE2 3.26Å; I47-Y50 PolarHBondContact O-N 3.14Å; I47-Y50 VanDerWaalsContact O-N 3.13Å; T48-Y50 PolarHBondContact O-N 3.46Å; T48-Y50 VanDerWaalsContact O-N 3.15Å
51G92.3Very high92Very high18 Ų1866.3 Ų66.319%0.18634%0.341CS..THydrogen-bonded Turntrans75.328.2179.900000113.1W25 K26 T48 E49W25-G51 CarbonylContact C-O 3.53Å; W25-G51 WeakPolarHBondContact CA-O 3.18Å; K26-G51 PolarHBondContact N-O 3.48Å; T48-G51 PolarHBondContact O-N 3.36Å; E49-G51 VanDerWaalsContact C-N 3.28Å; E49-G51 PolarHBondContact O-N 3.36Å
52I94.8Very high92Very high2 Ų266.9 Ų66.91%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-97.4122173.6-64.2163.6000107.6F16 K26 L28 I47 T48 V55 I70F16-I52 HydrophobicContact CD1-CD1 3.75Å; F16-I52 HydrophobicContact CE1-CD1 3.55Å; K26-I52 WeakPolarHBondContact O-CA 3.42Å; L28-I52 HydrophobicContact CB-CD1 4.48Å; L28-I52 HydrophobicContact CB-CG2 3.73Å; L28-I52 HydrophobicContact CD2-CD1 4.42Å; I47-I52 HydrophobicContact CG2-CB 3.84Å; I47-I52 HydrophobicContact CG2-CD1 3.51Å; I47-I52 HydrophobicContact CG2-CG1 4.27Å; I47-I52 HydrophobicContact CG2-CG2 3.77Å; T48-I52 WeakPolarHBondContact CA-O 3.46Å; I52-V55 HydrophobicContact CG2-CG2 4.28Å; I52-I70 HydrophobicContact CD1-CD1 4.14Å; I52-I70 HydrophobicContact CG1-CD1 4.14Å
53T93.6Very high92.1Very high80 Ų8073.4 Ų73.449%0.49137%0.371SS..EExtended strand (participates in β ladder)trans-100.9-20.9-177.3-171.50000113.4W25 K26 M67W25-T53 HydrophobicContact CB-CG2 4.15Å; K26-T53 PolarHBondContact O-N 2.81Å; T53-M67 HydrophobicContact CG2-CE 3.6Å; T53-M67 HydrophobicContact CG2-SD 4.46Å
54L94.4Very high92.3Very high69 Ų6972.8 Ų72.836%0.36137%0.368SS..EExtended strand (participates in β ladder)trans-147.1138-173-178.265.7000109V27 L28 E56 L65V27-L54 WeakPolarHBondContact CA-O 3.43Å; V27-L54 HydrophobicContact CG1-CB 4.13Å; V27-L54 HydrophobicContact CG1-CD2 4.09Å; V27-L54 HydrophobicContact CG1-CG 4.19Å; V27-L54 HydrophobicContact CG2-CB 4.45Å; L28-L54 PolarHBondContact N-O 2.71Å; L54-E56 HydrophobicContact CD1-CG 4.37Å; L54-E56 HydrophobicContact CD2-CG 3.75Å; L54-E56 HydrophobicContact CG-CG 3.77Å; L54-L65 HydrophobicContact CD2-CD1 3.98Å
55V95Very high92.5Very high46 Ų4669.7 Ų69.728%0.27935%0.354SS..EExtended strand (participates in β ladder)trans-119122.3173.5-175.30000107.5L28 M30 M44 I47 I52L28-V55 HydrophobicContact CB-CG2 4.3Å; L28-V55 HydrophobicContact CD2-CG1 4.31Å; L28-V55 HydrophobicContact CD2-CG2 4.24Å; L28-V55 HydrophobicContact CG-CG1 4.44Å; L28-V55 CarbonylContact O-C 3.53Å; L28-V55 VanDerWaalsContact O-CA 3.31Å; L28-V55 WeakPolarHBondContact O-CA 3.35Å; M30-V55 HydrophobicContact CE-CG1 3.57Å; M44-V55 HydrophobicContact CE-CG2 4.3Å; M44-V55 HydrophobicContact SD-CG2 3.92Å; I47-V55 HydrophobicContact CG2-CG2 4.42Å; I52-V55 HydrophobicContact CG2-CG2 4.28Å
56E95.4Very high92.6Very high41 Ų4170.2 Ų70.219%0.19236%0.361CS..EExtended strand (participates in β ladder)trans-126.1152.5178.8-52.9-171.6100.700111.2V27 L28 I29 M30 L54 Y94V27-E56 HydrophobicContact CG1-CG 4.32Å; L28-E56 PolarHBondContact O-N 3.39Å; I29-E56 WeakPolarHBondContact CA-O 3.43Å; I29-E56 HydrophobicContact CD1-CB 3.77Å; I29-E56 HydrophobicContact CD1-CG 4.26Å; M30-E56 PolarHBondContact N-O 2.94Å; L54-E56 HydrophobicContact CD1-CG 4.37Å; L54-E56 HydrophobicContact CD2-CG 3.75Å; L54-E56 HydrophobicContact CG-CG 3.77Å; E56-Y94 PolarHBondContact OE2-OH 2.82Å; E56-Y94 VanDerWaalsContact OE2-OH 3.05Å
57S96.3Very high92.8Very high33 Ų3370 Ų7023%0.23136%0.359CS..EExtended strand (participates in β ladder)trans-76.1141.8168.1176.50000110.4M30 N59 C60M30-S57 CarbonylContact O-C 3.51Å; M30-S57 WeakPolarHBondContact O-CA 3.38Å; S57-N59 PolarHBondContact O-N 3.14Å; S57-N59 PolarHBondContact OG-N 3.11Å; S57-N59 VanDerWaalsContact OG-N 3.17Å; S57-C60 PolarHBondContact O-N 2.84Å
58L96.9Very high93Very high1 Ų171.6 Ų71.61%0.00537%0.366CS..THydrogen-bonded Turntrans-59.4-27.3171.6-170.378000112I29 M30 D31 C60 R62 Y71 M73 E79 L82I29-L58 HydrophobicContact CG2-CB 4.12Å; I29-L58 HydrophobicContact CG2-CD1 3.7Å; M30-L58 WeakPolarHBondContact O-CB 3.43Å; M30-L58 PolarHBondContact O-N 3.13Å; D31-L58 HydrophobicContact CB-CB 4.5Å; D31-L58 HydrophobicContact CB-CD2 4.22Å; L58-C60 VanDerWaalsContact C-N 3.34Å; L58-R62 VanDerWaalsContact CD1-NH1 3.31Å; L58-R62 PolarHBondContact O-NH1 3.38Å; L58-R62 VanDerWaalsContact O-NH1 3.17Å; L58-Y71 HydrophobicContact CD1-CD1 3.9Å; L58-Y71 HydrophobicContact CD1-CE1 4.05Å; L58-M73 HydrophobicContact CD2-CE 4.09Å; L58-E79 HydrophobicContact CD2-CB 3.61Å; L58-E79 HydrophobicContact CD2-CG 3.61Å; L58-L82 HydrophobicContact CD1-CB 4.29Å; L58-L82 HydrophobicContact CD2-CB 4.27Å; L58-L82 HydrophobicContact CD2-CD1 4.19Å; L58-L82 HydrophobicContact CG-CB 3.98Å; L58-L82 HydrophobicContact CG-CD1 4.08Å
59N94.4Very high93.3Very high85 Ų8568.7 Ų68.746%0.45535%0.348SS..THydrogen-bonded Turntrans-82.6-9.2-176.5-64.2-38.8000113.4D32 S57D32-N59 PolarHBondContact OD1-ND2 3.44Å; S57-N59 PolarHBondContact O-N 3.14Å; S57-N59 PolarHBondContact OG-N 3.11Å; S57-N59 VanDerWaalsContact OG-N 3.17Å
60C92.3Very high93.6Very high70 Ų7062 Ų6247%0.47332%0.317SS..SBendtrans-89.3151.9179.9-67.80000111.9S57 L58 R62S57-C60 PolarHBondContact O-N 2.84Å; L58-C60 VanDerWaalsContact C-N 3.34Å; C60-R62 PolarHBondContact O-N 3.21Å
61K89Confident94Very high210 Ų21060.2 Ų60.291%0.91331%0.31SS*.  trans-70.3115.4168.1-73.2-172.2178.9-178.40109.2
62R90.9Very high94.2Very high34 Ų3459.5 Ų59.513%0.12830%0.302CS..PPolyproline II helixtrans-87.4146.6-175-68.2158.6-60-139.91.8112.2L58 C60 L82 D86 T93 Y94L58-R62 VanDerWaalsContact CD1-NH1 3.31Å; L58-R62 PolarHBondContact O-NH1 3.38Å; L58-R62 VanDerWaalsContact O-NH1 3.17Å; C60-R62 PolarHBondContact O-N 3.21Å; R62-L82 PolarHBondContact NH2-O 3.22Å; R62-D86 IonicContact CZ-OD1 3.2Å; R62-D86 IonicContact CZ-OD2 3.31Å; R62-D86 VanDerWaalsContact NE-CG 3.29Å; R62-D86 IonicContact NE-OD1 2.72Å; R62-D86 PolarHBondContact NE-OD1 3.41Å; R62-D86 IonicContact NE-OD2 3.17Å; R62-D86 PolarHBondContact NE-OD2 2.95Å; R62-D86 IonicContact NH1-OD2 2.73Å; R62-D86 PolarHBondContact NH1-OD2 3.32Å; R62-D86 IonicContact NH2-OD1 3.91Å; R62-D86 PolarHBondContact NH2-OD1 2.85Å; R62-D86 IonicContact NH2-OD2 3.08Å; R62-D86 PolarHBondContact NH2-OD2 3.21Å; R62-T93 HydrophobicContact CB-CG2 4.07Å; R62-Y94 WeakPolarHBondContact CB-OH 3.45Å; R62-Y94 VanDerWaalsContact CD-OH 3.24Å; R62-Y94 WeakPolarHBondContact CD-OH 3.4Å; R62-Y94 WeakPolarHBondContact CG-OH 3.42Å
63Q90.6Very high94.4Very high148 Ų14859.4 Ų59.469%0.69230%0.301SS*.PPolyproline II helixtrans-83.8149.5171.5-65.5-173.30.500110.5L65 T93Q63-L65 PolarHBondContact O-N 2.89Å; Q63-T93 WeakPolarHBondContact O-CG2 3.44Å
64K92.4Very high94.5Very high137 Ų13756.9 Ų56.960%0.59628%0.283SS*.PPolyproline II helixtrans-72.6125.5176.7-61.5-174.2176.3-178.60109.8N91 T93K64-N91 PolarHBondContact NZ-O 3.21Å; K64-T93 WeakPolarHBondContact CA-O 3.5Å
65L93.3Very high94.5Very high51 Ų5154 Ų5427%0.26727%0.269SS..  trans-134.3130.4-178.8-65.2173.5000109.4V27 L54 Q63 M67 T93 Y94V27-L65 HydrophobicContact CG2-CD1 3.73Å; L54-L65 HydrophobicContact CD2-CD1 3.98Å; Q63-L65 PolarHBondContact O-N 2.89Å; L65-M67 HydrophobicContact CB-CG 4.38Å; L65-M67 HydrophobicContact CB-SD 4.4Å; L65-M67 PolarHBondContact O-N 2.79Å; L65-T93 PolarHBondContact N-O 3.05Å; L65-Y94 HydrophobicContact CB-CD1 4.31Å; L65-Y94 HydrophobicContact CB-CE1 4.35Å; L65-Y94 HydrophobicContact CD1-CE1 4.45Å; L65-Y94 WeakPolarHBondContact O-CA 3.35Å
66N91.3Very high94.5Very high152 Ų15257.1 Ų57.181%0.81328%0.275SS*.SBendtrans-79.658.3178.2-170.622.6000111.5
67M93.5Very high94.5Very high43 Ų4361.8 Ų61.821%0.21229%0.291CS..SBendtrans-141.3160-171.4-57.3176.663.900110W25 V27 T53 L65 Y94 S95W25-M67 HydrophobicContact CB-CE 3.2Å; W25-M67 HydrophobicContact CG-CE 4.48Å; W25-M67 WeakPolarHBondContact O-CE 3.39Å; V27-M67 HydrophobicContact CG2-SD 4.44Å; T53-M67 HydrophobicContact CG2-CE 3.6Å; T53-M67 HydrophobicContact CG2-SD 4.46Å; L65-M67 HydrophobicContact CB-CG 4.38Å; L65-M67 HydrophobicContact CB-SD 4.4Å; L65-M67 PolarHBondContact O-N 2.79Å; M67-Y94 WeakPolarHBondContact O-CB 2.81Å; M67-S95 PolarHBondContact O-N 3.4Å; M67-S95 PolarHBondContact O-OG 2.98Å; M67-S95 VanDerWaalsContact O-OG 3.11Å
68H95.3Very high94.5Very high43 Ų4362.9 Ų62.920%0.19930%0.302CS..EExtended strand (participates in β ladder)trans-73.7140.7171.3-74.6-144.2000109.9K26 V27 S95 A96 H98K26-H68 WeakPolarHBondContact CA-O 3.45Å; K26-H68 HydrophobicContact CG-CB 4.25Å; V27-H68 PolarHBondContact N-O 2.97Å; H68-S95 PolarHBondContact CD2-OG 3.46Å; H68-S95 VanDerWaalsContact CD2-OG 3.31Å; H68-S95 PolarHBondContact N-OG 3.23Å; H68-A96 WeakPolarHBondContact CA-O 3.4Å; H68-H98 AromaticContact ND1-CD2 3.81Å; H68-H98 AromaticContact ND1-NE2 3.09Å; H68-H98 PolarHBondContact ND1-NE2 3.43Å
69A96.5Very high94.5Very high0 Ų063.4 Ų63.40%030%0.304CS..EExtended strand (participates in β ladder)trans-106.7139.1171.600000111.1V27 I29 Y71 Y94 A96 A97 H98V27-A69 CarbonylContact O-C 3.51Å; V27-A69 WeakPolarHBondContact O-CA 3.45Å; I29-A69 HydrophobicContact CG1-CB 4.3Å; A69-Y71 HydrophobicContact CB-CD2 4.23Å; A69-Y71 HydrophobicContact CB-CE2 3.53Å; A69-Y94 HydrophobicContact CB-CD1 3.91Å; A69-Y94 HydrophobicContact CB-CD2 3.57Å; A69-Y94 HydrophobicContact CB-CE1 4.31Å; A69-Y94 HydrophobicContact CB-CE2 3.99Å; A69-Y94 HydrophobicContact CB-CG 3.51Å; A69-A96 PolarHBondContact N-O 3.06Å; A69-A97 CarbonylContact O-C 3.59Å; A69-A97 WeakPolarHBondContact O-CA 3.45Å; A69-H98 PolarHBondContact O-N 3.36Å
70I97.2Very high94.7Very high2 Ų259.4 Ų59.41%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-105.6116.3172.8-55173.5000106.6V15 V19 K26 V27 L28 I29 I52 I72 H98 F100V15-I70 HydrophobicContact CG1-CG2 4.13Å; V19-I70 HydrophobicContact CB-CD1 4.15Å; V19-I70 HydrophobicContact CG1-CD1 3.49Å; V19-I70 VanDerWaalsContact CG1-CD1 3.49Å; V19-I70 HydrophobicContact CG1-CG1 3.85Å; V19-I70 HydrophobicContact CG2-CD1 4.43Å; K26-I70 HydrophobicContact CB-CD1 4.28Å; K26-I70 HydrophobicContact CB-CG1 4.46Å; K26-I70 HydrophobicContact CD-CD1 4.08Å; K26-I70 HydrophobicContact CD-CG1 4.41Å; V27-I70 PolarHBondContact O-N 2.99Å; L28-I70 CarbonylContact C-O 3.52Å; L28-I70 HydrophobicContact CD1-CB 3.98Å; L28-I70 HydrophobicContact CD1-CG2 3.85Å; I29-I70 PolarHBondContact N-O 3.28Å; I52-I70 HydrophobicContact CD1-CD1 4.14Å; I52-I70 HydrophobicContact CG1-CD1 4.14Å; I70-I72 HydrophobicContact CG2-CG1 4.26Å; I70-H98 CarbonylContact C-O 3.51Å; I70-H98 WeakPolarHBondContact CA-O 3.3Å; I70-F100 HydrophobicContact CG2-CD2 3.88Å; I70-F100 HydrophobicContact CG2-CE2 3.87Å
71Y98Very high94.9Very high0 Ų059.7 Ų59.70%028%0.277CS..EExtended strand (participates in β ladder)trans-99.9123.6175.4-65.5-97.6000109I29 L58 A69 M73 L83 D86 F87 Y94 A97 H98 V99 F100I29-Y71 HydrophobicContact CB-CD1 3.71Å; I29-Y71 HydrophobicContact CB-CE1 3.85Å; I29-Y71 HydrophobicContact CB-CG 4.3Å; I29-Y71 HydrophobicContact CG1-CD1 4.3Å; I29-Y71 HydrophobicContact CG1-CE1 4.01Å; I29-Y71 HydrophobicContact CG2-CD1 3.74Å; I29-Y71 HydrophobicContact CG2-CE1 3.73Å; I29-Y71 WeakPolarHBondContact O-CA 3.04Å; L58-Y71 HydrophobicContact CD1-CD1 3.9Å; L58-Y71 HydrophobicContact CD1-CE1 4.05Å; A69-Y71 HydrophobicContact CB-CD2 4.23Å; A69-Y71 HydrophobicContact CB-CE2 3.53Å; Y71-M73 HydrophobicContact CD1-SD 4.47Å; Y71-L83 HydrophobicContact CD1-CD1 3.69Å; Y71-L83 HydrophobicContact CD2-CD1 3.74Å; Y71-L83 HydrophobicContact CE1-CD1 3.62Å; Y71-L83 HydrophobicContact CE2-CD1 3.68Å; Y71-L83 HydrophobicContact CG-CD1 3.74Å; Y71-D86 WeakPolarHBondContact OH-CB 3.28Å; Y71-D86 PolarHBondContact OH-OD2 3.18Å; Y71-F87 AromaticContact CE2-CE2 3.83Å; Y71-F87 HydrophobicContact CE2-CE2 3.83Å; Y71-F87 AromaticContact CE2-CZ 3.98Å; Y71-F87 HydrophobicContact CE2-CZ 3.98Å; Y71-F87 AromaticContact CZ-CE2 3.87Å; Y71-F87 WeakPolarHBondContact OH-CE2 3.33Å; Y71-Y94 WeakPolarHBondContact OH-CD2 3.21Å; Y71-Y94 VanDerWaalsContact OH-CE2 3.22Å; Y71-Y94 WeakPolarHBondContact OH-CE2 3.33Å; Y71-A97 HydrophobicContact CD2-CB 4.14Å; Y71-A97 HydrophobicContact CE2-CB 3.93Å; Y71-H98 PolarHBondContact N-O 3.3Å; Y71-V99 HydrophobicContact CD2-CG2 4.42Å; Y71-F100 PolarHBondContact O-N 3.21Å
72I97.9Very high95.3Very high2 Ų251.6 Ų51.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-118.4116167.2-49.8179.3000107.2V15 L28 I29 M30 D31 A34 L38 I70 F100 L102 L128V15-I72 HydrophobicContact CG1-CD1 4.1Å; L28-I72 HydrophobicContact CD1-CD1 3.79Å; L28-I72 HydrophobicContact CD1-CG1 3.95Å; I29-I72 PolarHBondContact O-N 3.1Å; M30-I72 WeakPolarHBondContact CA-O 3.18Å; M30-I72 HydrophobicContact CG-CB 4.28Å; D31-I72 PolarHBondContact N-O 3.32Å; A34-I72 HydrophobicContact CB-CB 4.02Å; A34-I72 HydrophobicContact CB-CG2 3.72Å; A34-I72 WeakPolarHBondContact CB-O 3.35Å; L38-I72 HydrophobicContact CD1-CD1 4.04Å; I70-I72 HydrophobicContact CG2-CG1 4.26Å; I72-F100 WeakPolarHBondContact CA-O 3.3Å; I72-F100 HydrophobicContact CG1-CB 4.33Å; I72-L102 HydrophobicContact CG2-CD2 3.69Å; I72-L128 HydrophobicContact CG2-CD1 4.18Å
73M97.7Very high95.6Very high1 Ų150 Ų501%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-157.9161.2-168.261.9-161.8-76.400112.5D31 L58 Y71 E79 I80 L83 F100 F101 L102D31-M73 HydrophobicContact CB-CB 4.34Å; L58-M73 HydrophobicContact CD2-CE 4.09Å; Y71-M73 HydrophobicContact CD1-SD 4.47Å; M73-E79 HydrophobicContact CE-CB 3.42Å; M73-E79 VanDerWaalsContact CE-CB 3.42Å; M73-E79 WeakPolarHBondContact CE-O 3.37Å; M73-I80 HydrophobicContact CE-CD1 3.96Å; M73-L83 HydrophobicContact CE-CB 4.05Å; M73-L83 HydrophobicContact SD-CB 4.44Å; M73-L83 HydrophobicContact SD-CD2 4.33Å; M73-F100 PolarHBondContact N-O 2.96Å; M73-F100 VanDerWaalsContact N-O 3.08Å; M73-F101 HydrophobicContact CE-CE1 4.4Å; M73-F101 HydrophobicContact CG-CD1 3.83Å; M73-F101 HydrophobicContact CG-CE1 3.85Å; M73-F101 CarbonylContact O-C 3.56Å; M73-F101 VanDerWaalsContact O-CA 3.27Å; M73-F101 WeakPolarHBondContact O-CA 3.15Å; M73-F101 HydrophobicContact SD-CE1 4.09Å; M73-L102 PolarHBondContact O-N 3.18Å
74R95.9Very high95.9Very high27 Ų2744.4 Ų44.410%0.10221%0.212CC..  trans-75.3142.4162.4-70.4-176.9167.4154.6-1.1110.4D31 A33 R76 L102 D131 Q171D31-R74 PolarHBondContact OD2-N 3.26Å; A33-R74 HydrophobicContact CB-CG 4.2Å; R74-R76 VanDerWaalsContact C-N 3.25Å; R74-R76 HydrophobicContact CB-CG 3.91Å; R74-R76 PolarHBondContact O-N 2.9Å; R74-L102 HydrophobicContact CG-CB 4.41Å; R74-L102 HydrophobicContact CG-CD1 4.03Å; R74-D131 IonicContact CZ-OD1 3.21Å; R74-D131 IonicContact NE-OD1 2.89Å; R74-D131 PolarHBondContact NE-OD1 3.14Å; R74-D131 IonicContact NE-OD2 2.66Å; R74-D131 IonicContact NH2-OD1 3.79Å; R74-D131 PolarHBondContact NH2-OD1 3.35Å; R74-Q171 VanDerWaalsContact NH2-NE2 3.19Å
75P95.5Very high96Very high9 Ų943.9 Ų43.96%0.05821%0.212CC..  trans-81.769.1176.633.7-33.6000110.6F101 S103 S104 C105 L109P75-F101 HydrophobicContact CB-CB 4.49Å; P75-F101 HydrophobicContact CB-CD1 3.68Å; P75-F101 HydrophobicContact CB-CD2 4.45Å; P75-F101 HydrophobicContact CB-CE1 3.93Å; P75-F101 HydrophobicContact CB-CG 3.97Å; P75-F101 HydrophobicContact CB-CZ 4.41Å; P75-F101 HydrophobicContact CG-CB 4.37Å; P75-F101 HydrophobicContact CG-CD1 4.35Å; P75-F101 HydrophobicContact CG-CG 4.37Å; P75-S103 WeakPolarHBondContact CD-OG 3.27Å; P75-S104 VanDerWaalsContact CG-O 3.27Å; P75-S104 WeakPolarHBondContact CG-O 3.27Å; P75-C105 HydrophobicContact CB-CB 3.81Å; P75-C105 HydrophobicContact CG-CB 4.29Å; P75-L109 WeakPolarHBondContact O-CD1 3.43Å
76R94.6Very high96.2Very high111 Ų11141.7 Ų41.742%0.41920%0.201SC..  trans-111.2160.1171.5-20171.5-87.2-157.6-12.5110.6R74 A78 E79 I80R74-R76 VanDerWaalsContact C-N 3.25Å; R74-R76 HydrophobicContact CB-CG 3.91Å; R74-R76 PolarHBondContact O-N 2.9Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 3.43Å; R76-E79 WeakPolarHBondContact CB-OE2 3.49Å; R76-E79 WeakPolarHBondContact CG-OE2 3.31Å; R76-E79 IonicContact CZ-OE1 3.18Å; R76-E79 IonicContact CZ-OE2 3.62Å; R76-E79 IonicContact NE-OE1 3.69Å; R76-E79 PolarHBondContact NE-OE1 2.92Å; R76-E79 VanDerWaalsContact NE-OE1 3.13Å; R76-E79 IonicContact NE-OE2 3.69Å; R76-E79 PolarHBondContact NE-OE2 2.97Å; R76-E79 IonicContact NH2-OE1 2.98Å; R76-E79 PolarHBondContact NH2-OE1 3.06Å; R76-E79 IonicContact NH2-OE2 2.82Å; R76-E79 PolarHBondContact O-N 3.38Å; R76-E79 VanDerWaalsContact O-N 3.14Å; R76-I80 WeakPolarHBondContact O-CG1 3.44Å; R76-I80 PolarHBondContact O-N 3.07Å
77R95.9Very high96.4Very high139 Ų13934.7 Ų34.753%0.52516%0.163SC..Hα-helixtrans-56.3-45-169.7-168.9170.8-177.490.94.2112.9I80 E81 L109R77-I80 PolarHBondContact O-N 3.29Å; R77-E81 WeakPolarHBondContact CG-OE1 3.25Å; R77-E81 IonicContact NE-OE1 3.16Å; R77-E81 PolarHBondContact NE-OE1 3.43Å; R77-E81 VanDerWaalsContact O-CG 3.3Å; R77-E81 WeakPolarHBondContact O-CG 3.45Å; R77-E81 PolarHBondContact O-N 3.25Å; R77-L109 HydrophobicContact CB-CD2 4.09Å; R77-L109 HydrophobicContact CG-CD2 4.18Å
78A96.2Very high96.4Very high55 Ų5535.4 Ų35.446%0.45517%0.171SC..Hα-helixtrans-61.7-45.7178.400000111.9R76 E81 L82R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 3.43Å; A78-E81 PolarHBondContact O-N 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.43Å; A78-L82 PolarHBondContact O-N 3.09Å; A78-L82 VanDerWaalsContact O-N 3.1Å
79E96.9Very high96.2Very high13 Ų1341.1 Ų41.16%0.06120%0.197CC..Hα-helixtrans-66.3-41.3179.5-70.569.8-154.900111.7D31 L58 M73 R76 L82 L83D31-E79 HydrophobicContact CB-CG 4.15Å; L58-E79 HydrophobicContact CD2-CB 3.61Å; L58-E79 HydrophobicContact CD2-CG 3.61Å; M73-E79 HydrophobicContact CE-CB 3.42Å; M73-E79 VanDerWaalsContact CE-CB 3.42Å; M73-E79 WeakPolarHBondContact CE-O 3.37Å; R76-E79 WeakPolarHBondContact CB-OE2 3.49Å; R76-E79 WeakPolarHBondContact CG-OE2 3.31Å; R76-E79 IonicContact CZ-OE1 3.18Å; R76-E79 IonicContact CZ-OE2 3.62Å; R76-E79 IonicContact NE-OE1 3.69Å; R76-E79 PolarHBondContact NE-OE1 2.92Å; R76-E79 VanDerWaalsContact NE-OE1 3.13Å; R76-E79 IonicContact NE-OE2 3.69Å; R76-E79 PolarHBondContact NE-OE2 2.97Å; R76-E79 IonicContact NH2-OE1 2.98Å; R76-E79 PolarHBondContact NH2-OE1 3.06Å; R76-E79 IonicContact NH2-OE2 2.82Å; R76-E79 PolarHBondContact O-N 3.38Å; R76-E79 VanDerWaalsContact O-N 3.14Å; E79-L82 PolarHBondContact O-N 3.11Å; E79-L83 PolarHBondContact O-N 2.94Å
80I97.5Very high95.9Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-62.1-43.8175.3-64.6-50.8000110.7M73 R76 R77 L82 L83 L84 F101 L109 I113M73-I80 HydrophobicContact CE-CD1 3.96Å; R76-I80 WeakPolarHBondContact O-CG1 3.44Å; R76-I80 PolarHBondContact O-N 3.07Å; R77-I80 PolarHBondContact O-N 3.29Å; I80-L82 VanDerWaalsContact C-N 3.29Å; I80-L82 PolarHBondContact O-N 2.99Å; I80-L83 WeakPolarHBondContact O-CB 3.31Å; I80-L83 PolarHBondContact O-N 3.28Å; I80-L84 HydrophobicContact CG2-CD1 4.1Å; I80-L84 HydrophobicContact CG2-CG 4.21Å; I80-L84 VanDerWaalsContact O-CG 3.28Å; I80-L84 WeakPolarHBondContact O-CG 3.42Å; I80-L84 PolarHBondContact O-N 2.96Å; I80-F101 HydrophobicContact CD1-CE1 3.6Å; I80-F101 HydrophobicContact CD1-CZ 3.65Å; I80-L109 HydrophobicContact CG1-CB 4.35Å; I80-L109 HydrophobicContact CG1-CD1 4.29Å; I80-I113 HydrophobicContact CD1-CD1 3.83Å; I80-I113 HydrophobicContact CD1-CG1 4.47Å; I80-I113 HydrophobicContact CG2-CD1 4.35Å; I80-I113 HydrophobicContact CG2-CG1 3.83Å
81E97Very high95.6Very high77 Ų7750.3 Ų50.336%0.3625%0.253SS..Hα-helixtrans-58.7-41.6176.8-74.6171-171.800111.7R77 A78 L84 Q85R77-E81 WeakPolarHBondContact CG-OE1 3.25Å; R77-E81 IonicContact NE-OE1 3.16Å; R77-E81 PolarHBondContact NE-OE1 3.43Å; R77-E81 VanDerWaalsContact O-CG 3.3Å; R77-E81 WeakPolarHBondContact O-CG 3.45Å; R77-E81 PolarHBondContact O-N 3.25Å; A78-E81 PolarHBondContact O-N 3.23Å; E81-L84 PolarHBondContact O-N 3.25Å; E81-Q85 VanDerWaalsContact O-CG 3.27Å; E81-Q85 WeakPolarHBondContact O-CG 3.34Å; E81-Q85 PolarHBondContact O-N 3.4Å
82L97.2Very high95.5Very high39 Ų3951.8 Ų51.820%0.20426%0.263CS..Hα-helixtrans-66.7-37.4175.6-68.2170.2000113L58 R62 A78 E79 I80L58-L82 HydrophobicContact CD1-CB 4.29Å; L58-L82 HydrophobicContact CD2-CB 4.27Å; L58-L82 HydrophobicContact CD2-CD1 4.19Å; L58-L82 HydrophobicContact CG-CB 3.98Å; L58-L82 HydrophobicContact CG-CD1 4.08Å; R62-L82 PolarHBondContact NH2-O 3.22Å; A78-L82 WeakPolarHBondContact O-CG 3.43Å; A78-L82 PolarHBondContact O-N 3.09Å; A78-L82 VanDerWaalsContact O-N 3.1Å; E79-L82 PolarHBondContact O-N 3.11Å; I80-L82 VanDerWaalsContact C-N 3.29Å; I80-L82 PolarHBondContact O-N 2.99Å
83L97.2Very high95.4Very high0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-61.4-47.2172.6168.166.6000110.8Y71 M73 E79 I80 Q85 D86 F87 V99Y71-L83 HydrophobicContact CD1-CD1 3.69Å; Y71-L83 HydrophobicContact CD2-CD1 3.74Å; Y71-L83 HydrophobicContact CE1-CD1 3.62Å; Y71-L83 HydrophobicContact CE2-CD1 3.68Å; Y71-L83 HydrophobicContact CG-CD1 3.74Å; M73-L83 HydrophobicContact CE-CB 4.05Å; M73-L83 HydrophobicContact SD-CB 4.44Å; M73-L83 HydrophobicContact SD-CD2 4.33Å; E79-L83 PolarHBondContact O-N 2.94Å; I80-L83 WeakPolarHBondContact O-CB 3.31Å; I80-L83 PolarHBondContact O-N 3.28Å; L83-Q85 VanDerWaalsContact C-N 3.29Å; L83-Q85 PolarHBondContact O-N 3.37Å; L83-D86 PolarHBondContact O-N 3.27Å; L83-F87 HydrophobicContact CD1-CD2 4.44Å; L83-F87 HydrophobicContact CD1-CE2 4Å; L83-F87 WeakPolarHBondContact O-CD2 3.36Å; L83-V99 HydrophobicContact CD1-CG2 4.29Å; L83-V99 HydrophobicContact CD2-CG1 4.31Å; L83-V99 HydrophobicContact CD2-CG2 4.14Å
84L96.8Very high95.4Very high31 Ų3152.5 Ų52.516%0.16227%0.267CS..Hα-helixtrans-66.2-32.5-177.2-64.5-174.9000112.4I80 E81 D86 F87 Q112 S116 A118I80-L84 HydrophobicContact CG2-CD1 4.1Å; I80-L84 HydrophobicContact CG2-CG 4.21Å; I80-L84 VanDerWaalsContact O-CG 3.28Å; I80-L84 WeakPolarHBondContact O-CG 3.42Å; I80-L84 PolarHBondContact O-N 2.96Å; E81-L84 PolarHBondContact O-N 3.25Å; L84-D86 PolarHBondContact O-N 2.72Å; L84-F87 PolarHBondContact O-N 3.08Å; L84-F87 VanDerWaalsContact O-N 3.13Å; L84-Q112 HydrophobicContact CD1-CG 4.07Å; L84-S116 WeakPolarHBondContact CD2-OG 3.28Å; L84-A118 HydrophobicContact CD2-CB 3.61Å
85Q95.5Very high95.3Very high126 Ų12652.8 Ų52.859%0.58927%0.273SS*.Hα-helixtrans-62.2-22.7175.7-76.3172.424.700113.8E81 L83 F87 P88E81-Q85 VanDerWaalsContact O-CG 3.27Å; E81-Q85 WeakPolarHBondContact O-CG 3.34Å; E81-Q85 PolarHBondContact O-N 3.4Å; L83-Q85 VanDerWaalsContact C-N 3.29Å; L83-Q85 PolarHBondContact O-N 3.37Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; Q85-P88 WeakPolarHBondContact O-CD 3.3Å
86D96.5Very high95.3Very high6 Ų652.6 Ų52.63%0.03227%0.273CS..THydrogen-bonded Turntrans-79-13.9176.8-74.4-23.2000113.9R62 Y71 L83 L84 P88 T93 Y94R62-D86 IonicContact CZ-OD1 3.2Å; R62-D86 IonicContact CZ-OD2 3.31Å; R62-D86 VanDerWaalsContact NE-CG 3.29Å; R62-D86 IonicContact NE-OD1 2.72Å; R62-D86 PolarHBondContact NE-OD1 3.41Å; R62-D86 IonicContact NE-OD2 3.17Å; R62-D86 PolarHBondContact NE-OD2 2.95Å; R62-D86 IonicContact NH1-OD2 2.73Å; R62-D86 PolarHBondContact NH1-OD2 3.32Å; R62-D86 IonicContact NH2-OD1 3.91Å; R62-D86 PolarHBondContact NH2-OD1 2.85Å; R62-D86 IonicContact NH2-OD2 3.08Å; R62-D86 PolarHBondContact NH2-OD2 3.21Å; Y71-D86 WeakPolarHBondContact OH-CB 3.28Å; Y71-D86 PolarHBondContact OH-OD2 3.18Å; L83-D86 PolarHBondContact O-N 3.27Å; L84-D86 PolarHBondContact O-N 2.72Å; D86-P88 WeakPolarHBondContact O-CD 3.11Å; D86-T93 WeakPolarHBondContact O-CB 3.5Å; D86-T93 PolarHBondContact O-N 3.26Å; D86-T93 PolarHBondContact O-OG1 2.97Å; D86-T93 PolarHBondContact OD1-OG1 3.23Å; D86-Y94 HydrophobicContact CB-CD2 4.18Å; D86-Y94 HydrophobicContact CB-CE2 4.3Å
87F96.3Very high95.4Very high4 Ų447.3 Ų47.32%0.01825%0.253CS..  trans-125.358-176.5-57.4-76.2000112.4Y71 L83 L84 Q85 P92 Y94 A97 A118 R121Y71-F87 AromaticContact CE2-CE2 3.83Å; Y71-F87 HydrophobicContact CE2-CE2 3.83Å; Y71-F87 AromaticContact CE2-CZ 3.98Å; Y71-F87 HydrophobicContact CE2-CZ 3.98Å; Y71-F87 AromaticContact CZ-CE2 3.87Å; Y71-F87 WeakPolarHBondContact OH-CE2 3.33Å; L83-F87 HydrophobicContact CD1-CD2 4.44Å; L83-F87 HydrophobicContact CD1-CE2 4Å; L83-F87 WeakPolarHBondContact O-CD2 3.36Å; L84-F87 PolarHBondContact O-N 3.08Å; L84-F87 VanDerWaalsContact O-N 3.13Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; F87-P92 HydrophobicContact CD1-CB 4.18Å; F87-Y94 HydrophobicContact CZ-CD2 4.07Å; F87-A97 HydrophobicContact CE1-CB 4.37Å; F87-A97 HydrophobicContact CE2-CB 3.82Å; F87-A97 HydrophobicContact CZ-CB 3.59Å; F87-A118 HydrophobicContact CB-CB 3.71Å; F87-A118 HydrophobicContact CD2-CB 4.15Å; F87-A118 HydrophobicContact CG-CB 4.21Å; F87-R121 HydrophobicContact CD1-CB 4.05Å; F87-R121 HydrophobicContact CD1-CG 4.47Å; F87-R121 HydrophobicContact CE1-CB 4.34Å
88P93.6Very high95.4Very high58 Ų5841 Ų4138%0.37723%0.229SC..  trans-61163.3167.529.7-37.1000111.2Q85 D86 S90Q85-P88 WeakPolarHBondContact O-CD 3.3Å; D86-P88 WeakPolarHBondContact O-CD 3.11Å; P88-S90 VanDerWaalsContact C-N 3.25Å; P88-S90 WeakPolarHBondContact CG-O 3.37Å; P88-S90 PolarHBondContact O-N 2.76Å
89E89.8Confident95.4Very high163 Ų16338.4 Ų38.476%0.76221%0.208SC*.SBendtrans-58.8-37.1179.9-173.3170.7-163.200112.8Q117E89-Q117 HydrophobicContact CB-CG 4.29Å
90S91.3Very high95.5Very high83 Ų8337.8 Ų37.858%0.5821%0.205SC*.SBendtrans-119.1142.1175.365.70000111.2P88P88-S90 VanDerWaalsContact C-N 3.25Å; P88-S90 WeakPolarHBondContact CG-O 3.37Å; P88-S90 PolarHBondContact O-N 2.76Å
91N91.3Very high95.5Very high113 Ų11338.1 Ų38.160%0.60421%0.206SC*.SBendtrans55.559.2177-57-43.6000114.7K64K64-N91 PolarHBondContact NZ-O 3.21Å
92P95Very high95.4Very high31 Ų3134.5 Ų34.520%0.20119%0.189CC..  trans-59.1150.5176.732.2-40.3000111.7F87 Y94F87-P92 HydrophobicContact CD1-CB 4.18Å; P92-Y94 VanDerWaalsContact C-N 3.32Å
93T96.3Very high95.3Very high15 Ų1533.3 Ų33.39%0.09218%0.184CC..SBendtrans-65.6-37.8177.6-54.20000111.2R62 Q63 K64 L65 D86R62-T93 HydrophobicContact CB-CG2 4.07Å; Q63-T93 WeakPolarHBondContact O-CG2 3.44Å; K64-T93 WeakPolarHBondContact CA-O 3.5Å; L65-T93 PolarHBondContact N-O 3.05Å; D86-T93 WeakPolarHBondContact O-CB 3.5Å; D86-T93 PolarHBondContact O-N 3.26Å; D86-T93 PolarHBondContact O-OG1 2.97Å; D86-T93 PolarHBondContact OD1-OG1 3.23Å
94Y96.3Very high95Very high3 Ų336.1 Ų36.11%0.01220%0.204CC..SBendtrans-128.1157-178.3-53.7-69000111.5V27 I29 E56 R62 L65 M67 A69 Y71 D86 F87 P92V27-Y94 HydrophobicContact CB-CE1 4.26Å; V27-Y94 HydrophobicContact CG1-CE1 4.36Å; V27-Y94 HydrophobicContact CG2-CE1 4.22Å; I29-Y94 VanDerWaalsContact CD1-OH 3.3Å; I29-Y94 WeakPolarHBondContact CD1-OH 3.11Å; I29-Y94 HydrophobicContact CG1-CE2 4.43Å; E56-Y94 PolarHBondContact OE2-OH 2.82Å; E56-Y94 VanDerWaalsContact OE2-OH 3.05Å; R62-Y94 WeakPolarHBondContact CB-OH 3.45Å; R62-Y94 VanDerWaalsContact CD-OH 3.24Å; R62-Y94 WeakPolarHBondContact CD-OH 3.4Å; R62-Y94 WeakPolarHBondContact CG-OH 3.42Å; L65-Y94 HydrophobicContact CB-CD1 4.31Å; L65-Y94 HydrophobicContact CB-CE1 4.35Å; L65-Y94 HydrophobicContact CD1-CE1 4.45Å; L65-Y94 WeakPolarHBondContact O-CA 3.35Å; M67-Y94 WeakPolarHBondContact O-CB 2.81Å; A69-Y94 HydrophobicContact CB-CD1 3.91Å; A69-Y94 HydrophobicContact CB-CD2 3.57Å; A69-Y94 HydrophobicContact CB-CE1 4.31Å; A69-Y94 HydrophobicContact CB-CE2 3.99Å; A69-Y94 HydrophobicContact CB-CG 3.51Å; Y71-Y94 WeakPolarHBondContact OH-CD2 3.21Å; Y71-Y94 VanDerWaalsContact OH-CE2 3.22Å; Y71-Y94 WeakPolarHBondContact OH-CE2 3.33Å; D86-Y94 HydrophobicContact CB-CD2 4.18Å; D86-Y94 HydrophobicContact CB-CE2 4.3Å; F87-Y94 HydrophobicContact CZ-CD2 4.07Å; P92-Y94 VanDerWaalsContact C-N 3.32Å
95S94.3Very high94.9Very high32 Ų3235.7 Ų35.722%0.22420%0.203CC..SBendtrans-72.8-36-178.859.80000112.4M67 H68 R121M67-S95 PolarHBondContact O-N 3.4Å; M67-S95 PolarHBondContact O-OG 2.98Å; M67-S95 VanDerWaalsContact O-OG 3.11Å; H68-S95 PolarHBondContact CD2-OG 3.46Å; H68-S95 VanDerWaalsContact CD2-OG 3.31Å; H68-S95 PolarHBondContact N-OG 3.23Å; S95-R121 PolarHBondContact O-NH1 2.84Å
96A95.2Very high94.8Very high6 Ų632.1 Ų32.15%0.0519%0.191CC..EExtended strand (participates in β ladder)trans-154.4163.9176.300000111.8H68 A69 R121 M123H68-A96 WeakPolarHBondContact CA-O 3.4Å; A69-A96 PolarHBondContact N-O 3.06Å; A96-R121 WeakPolarHBondContact CA-O 3.25Å; A96-M123 HydrophobicContact CB-CG 3.78Å; A96-M123 HydrophobicContact CB-SD 4.44Å
97A96.4Very high94.7Very high0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-121.113917900000112.5A69 Y71 F87 V99 R121 I122 M123A69-A97 CarbonylContact O-C 3.59Å; A69-A97 WeakPolarHBondContact O-CA 3.45Å; Y71-A97 HydrophobicContact CD2-CB 4.14Å; Y71-A97 HydrophobicContact CE2-CB 3.93Å; F87-A97 HydrophobicContact CE1-CB 4.37Å; F87-A97 HydrophobicContact CE2-CB 3.82Å; F87-A97 HydrophobicContact CZ-CB 3.59Å; A97-V99 HydrophobicContact CB-CG2 4.22Å; A97-R121 PolarHBondContact N-O 2.85Å; A97-I122 HydrophobicContact CB-CG1 4.06Å; A97-I122 WeakPolarHBondContact O-CA 3.22Å; A97-M123 PolarHBondContact O-N 3.3Å
98H96.6Very high94.6Very high7 Ų742.1 Ų42.13%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-114.9110.7165.1-64.5-79.5000108V19 H68 A69 I70 Y71 F100 N124V19-H98 HydrophobicContact CG2-CB 4.3Å; H68-H98 AromaticContact ND1-CD2 3.81Å; H68-H98 AromaticContact ND1-NE2 3.09Å; H68-H98 PolarHBondContact ND1-NE2 3.43Å; A69-H98 PolarHBondContact O-N 3.36Å; I70-H98 CarbonylContact C-O 3.51Å; I70-H98 WeakPolarHBondContact CA-O 3.3Å; Y71-H98 PolarHBondContact N-O 3.3Å; H98-F100 HydrophobicContact CB-CE2 3.84Å; H98-N124 WeakPolarHBondContact CA-OD1 3.11Å; H98-N124 VanDerWaalsContact CB-OD1 3.22Å; H98-N124 WeakPolarHBondContact CB-OD1 3.38Å; H98-N124 VanDerWaalsContact ND1-CG 3.33Å; H98-N124 PolarHBondContact ND1-ND2 3.49Å; H98-N124 PolarHBondContact ND1-OD1 3.02Å
99V97.4Very high94.8Very high0 Ų039.8 Ų39.80%023%0.229CC..EExtended strand (participates in β ladder)trans-105.8125.6-170.6-175.60000110.4Y71 L83 A97 F101 I122 N124 M125 I126Y71-V99 HydrophobicContact CD2-CG2 4.42Å; L83-V99 HydrophobicContact CD1-CG2 4.29Å; L83-V99 HydrophobicContact CD2-CG1 4.31Å; L83-V99 HydrophobicContact CD2-CG2 4.14Å; A97-V99 HydrophobicContact CB-CG2 4.22Å; V99-F101 HydrophobicContact CG1-CD1 4.36Å; V99-F101 HydrophobicContact CG1-CE1 3.84Å; V99-F101 HydrophobicContact CG1-CE2 4.07Å; V99-F101 HydrophobicContact CG1-CZ 3.67Å; V99-I122 HydrophobicContact CG2-CD1 4.41Å; V99-I122 HydrophobicContact CG2-CG1 4.2Å; V99-I122 HydrophobicContact CG2-CG2 4.25Å; V99-N124 PolarHBondContact N-O 3.42Å; V99-M125 HydrophobicContact CB-CG 4.29Å; V99-M125 HydrophobicContact CG1-CG 4.36Å; V99-M125 CarbonylContact O-C 3.53Å; V99-M125 WeakPolarHBondContact O-CA 3.44Å; V99-I126 PolarHBondContact O-N 3.3Å
100F97.5Very high95.1Very high0 Ų034.1 Ų34.10%020%0.204CC..EExtended strand (participates in β ladder)trans-125.2113.9178.6-61.7-89.7000109.4H14 V15 V19 I70 Y71 I72 M73 H98 I126 L128H14-F100 WeakPolarHBondContact O-CE1 3.4Å; V15-F100 HydrophobicContact CB-CE1 4.3Å; V15-F100 HydrophobicContact CB-CZ 4.36Å; V15-F100 HydrophobicContact CG1-CD2 3.98Å; V15-F100 HydrophobicContact CG1-CE1 4.33Å; V15-F100 HydrophobicContact CG1-CE2 3.81Å; V15-F100 HydrophobicContact CG1-CG 4.33Å; V15-F100 HydrophobicContact CG1-CZ 3.99Å; V15-F100 HydrophobicContact CG2-CD1 3.81Å; V15-F100 HydrophobicContact CG2-CE1 4.03Å; V15-F100 HydrophobicContact CG2-CG 4.07Å; V19-F100 HydrophobicContact CG2-CE2 3.82Å; V19-F100 HydrophobicContact CG2-CZ 3.69Å; I70-F100 HydrophobicContact CG2-CD2 3.88Å; I70-F100 HydrophobicContact CG2-CE2 3.87Å; Y71-F100 PolarHBondContact O-N 3.21Å; I72-F100 WeakPolarHBondContact CA-O 3.3Å; I72-F100 HydrophobicContact CG1-CB 4.33Å; M73-F100 PolarHBondContact N-O 2.96Å; M73-F100 VanDerWaalsContact N-O 3.08Å; H98-F100 HydrophobicContact CB-CE2 3.84Å; F100-I126 CarbonylContact C-O 3.56Å; F100-I126 VanDerWaalsContact CA-O 3.3Å; F100-I126 WeakPolarHBondContact CA-O 3.42Å; F100-I126 HydrophobicContact CD1-CB 3.9Å; F100-I126 HydrophobicContact CD1-CD1 4.42Å; F100-I126 HydrophobicContact CD1-CG2 4.39Å; F100-I126 HydrophobicContact CE1-CB 4.17Å; F100-I126 HydrophobicContact CE1-CD1 3.81Å; F100-I126 HydrophobicContact CE1-CG1 4.42Å; F100-L128 HydrophobicContact CB-CD1 3.84Å; F100-L128 HydrophobicContact CB-CD2 4.5Å; F100-L128 HydrophobicContact CB-CG 4.08Å; F100-L128 HydrophobicContact CD1-CD2 3.91Å; F100-L128 HydrophobicContact CD1-CG 4.38Å
101F97.5Very high95.4Very high6 Ų635 Ų353%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-89.7135176.5-65.5-54.6000111.1M73 P75 I80 V99 S103 C105 I113 M125 I126 L128M73-F101 HydrophobicContact CE-CE1 4.4Å; M73-F101 HydrophobicContact CG-CD1 3.83Å; M73-F101 HydrophobicContact CG-CE1 3.85Å; M73-F101 CarbonylContact O-C 3.56Å; M73-F101 VanDerWaalsContact O-CA 3.27Å; M73-F101 WeakPolarHBondContact O-CA 3.15Å; M73-F101 HydrophobicContact SD-CE1 4.09Å; P75-F101 HydrophobicContact CB-CB 4.49Å; P75-F101 HydrophobicContact CB-CD1 3.68Å; P75-F101 HydrophobicContact CB-CD2 4.45Å; P75-F101 HydrophobicContact CB-CE1 3.93Å; P75-F101 HydrophobicContact CB-CG 3.97Å; P75-F101 HydrophobicContact CB-CZ 4.41Å; P75-F101 HydrophobicContact CG-CB 4.37Å; P75-F101 HydrophobicContact CG-CD1 4.35Å; P75-F101 HydrophobicContact CG-CG 4.37Å; I80-F101 HydrophobicContact CD1-CE1 3.6Å; I80-F101 HydrophobicContact CD1-CZ 3.65Å; V99-F101 HydrophobicContact CG1-CD1 4.36Å; V99-F101 HydrophobicContact CG1-CE1 3.84Å; V99-F101 HydrophobicContact CG1-CE2 4.07Å; V99-F101 HydrophobicContact CG1-CZ 3.67Å; F101-S103 VanDerWaalsContact C-N 3.32Å; F101-S103 VanDerWaalsContact CB-O 3.29Å; F101-S103 WeakPolarHBondContact CB-O 3.27Å; F101-C105 HydrophobicContact CD2-CB 3.82Å; F101-C105 HydrophobicContact CE2-CB 3.89Å; F101-I113 HydrophobicContact CE2-CD1 4.43Å; F101-I113 HydrophobicContact CZ-CD1 3.94Å; F101-M125 HydrophobicContact CD2-CG 4.2Å; F101-M125 HydrophobicContact CE2-CG 3.74Å; F101-M125 HydrophobicContact CE2-SD 3.71Å; F101-M125 HydrophobicContact CZ-SD 4.38Å; F101-I126 PolarHBondContact N-O 3.12Å; F101-L128 PolarHBondContact O-N 2.86Å
102L96Very high95.6Very high1 Ų132.1 Ų32.11%0.00519%0.185CC..SBendtrans-64.6-38175.8-63.6-175.4000111.9A33 A34 I72 M73 R74 L128 S129 V130 D131A33-L102 HydrophobicContact CB-CD1 4.07Å; A34-L102 HydrophobicContact CB-CD1 4.14Å; A34-L102 HydrophobicContact CB-CD2 4.47Å; I72-L102 HydrophobicContact CG2-CD2 3.69Å; M73-L102 PolarHBondContact O-N 3.18Å; R74-L102 HydrophobicContact CG-CB 4.41Å; R74-L102 HydrophobicContact CG-CD1 4.03Å; L102-L128 HydrophobicContact CD2-CD1 4.39Å; L102-S129 CarbonylContact O-C 3.59Å; L102-S129 VanDerWaalsContact O-CA 3.27Å; L102-S129 WeakPolarHBondContact O-CA 3.4Å; L102-S129 PolarHBondContact O-N 3.48Å; L102-S129 VanDerWaalsContact O-N 3.1Å; L102-V130 PolarHBondContact O-N 3.29Å; L102-D131 HydrophobicContact CB-CB 4.16Å
103S93.6Very high95.8Very high14 Ų1430.7 Ų30.710%0.09818%0.176CC..SBendtrans-127.1178179.441.40000112.2P75 F101 D131P75-S103 WeakPolarHBondContact CD-OG 3.27Å; F101-S103 VanDerWaalsContact C-N 3.32Å; F101-S103 VanDerWaalsContact CB-O 3.29Å; F101-S103 WeakPolarHBondContact CB-O 3.27Å; S103-D131 WeakPolarHBondContact CB-OD2 3.41Å; S103-D131 PolarHBondContact OG-OD2 2.88Å
104S92.2Very high95.8Very high60 Ų6034.5 Ų34.542%0.4219%0.194SC..PPolyproline II helixtrans-62.8134.7178.4-159.80000112.2P75 P106 Q127P75-S104 VanDerWaalsContact CG-O 3.27Å; P75-S104 WeakPolarHBondContact CG-O 3.27Å; S104-P106 WeakPolarHBondContact O-CD 3.25Å; S104-Q127 VanDerWaalsContact CA-OE1 3.27Å; S104-Q127 PolarHBondContact OG-OE1 3.32Å
105C94.2Very high95.8Very high21 Ų2138.7 Ų38.714%0.14223%0.23CC..PPolyproline II helixtrans-84121.1-180-174.50000110.6P75 F101P75-C105 HydrophobicContact CB-CB 3.81Å; P75-C105 HydrophobicContact CG-CB 4.29Å; F101-C105 HydrophobicContact CD2-CB 3.82Å; F101-C105 HydrophobicContact CE2-CB 3.89Å
106P93Very high95.8Very high52 Ų5238.4 Ų38.434%0.33823%0.227SC..PPolyproline II helixtrans-54.6141.3174.4-26.234.8000112.4S104 D108 L109 L110S104-P106 WeakPolarHBondContact O-CD 3.25Å; P106-D108 VanDerWaalsContact C-N 3.26Å; P106-D108 WeakPolarHBondContact CB-OD1 3.48Å; P106-D108 PolarHBondContact O-N 3.26Å; P106-L109 HydrophobicContact CB-CD1 4.42Å; P106-L109 HydrophobicContact CB-CG 4.31Å; P106-L109 HydrophobicContact CG-CD1 4.1Å; P106-L109 PolarHBondContact O-N 3.16Å; P106-L109 VanDerWaalsContact O-N 3.11Å; P106-L110 PolarHBondContact O-N 2.91Å
107N94.2Very high95.8Very high122 Ų12241.6 Ų41.665%0.65224%0.242SC*.Hα-helixtrans-60.1-34.2-175.5-75.5-38.3000113.4L110 N111N107-L110 PolarHBondContact O-N 2.86Å; N107-N111 WeakPolarHBondContact O-CB 3.41Å; N107-N111 PolarHBondContact O-N 3.03Å; N107-N111 PolarHBondContact O-ND2 3.11Å
108D95.7Very high95.7Very high98 Ų9841.7 Ų41.752%0.52424%0.242SC..Hα-helixtrans-65.2-42.9176.660.4-62.8000111.8P106 N111 Q112P106-D108 VanDerWaalsContact C-N 3.26Å; P106-D108 WeakPolarHBondContact CB-OD1 3.48Å; P106-D108 PolarHBondContact O-N 3.26Å; D108-N111 PolarHBondContact O-N 2.93Å; D108-Q112 PolarHBondContact O-N 3.44Å
109L96.8Very high95.6Very high8 Ų844.3 Ų44.34%0.04226%0.259CS..Hα-helixtrans-69.2-38.4175.4-62.8-174.5000111.7P75 R77 I80 P106 N111 Q112 I113P75-L109 WeakPolarHBondContact O-CD1 3.43Å; R77-L109 HydrophobicContact CB-CD2 4.09Å; R77-L109 HydrophobicContact CG-CD2 4.18Å; I80-L109 HydrophobicContact CG1-CB 4.35Å; I80-L109 HydrophobicContact CG1-CD1 4.29Å; P106-L109 HydrophobicContact CB-CD1 4.42Å; P106-L109 HydrophobicContact CB-CG 4.31Å; P106-L109 HydrophobicContact CG-CD1 4.1Å; P106-L109 PolarHBondContact O-N 3.16Å; P106-L109 VanDerWaalsContact O-N 3.11Å; L109-N111 PolarHBondContact O-N 3.38Å; L109-Q112 WeakPolarHBondContact O-CB 3.37Å; L109-Q112 PolarHBondContact O-N 3.22Å; L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 3.06Å
110L96.3Very high95.5Very high45 Ų4554 Ų5424%0.23630%0.295CS..Hα-helixtrans-59.8-45.9172.9-179.161.1000111.6P106 N107 Q112 I113 I114 M125P106-L110 PolarHBondContact O-N 2.91Å; N107-L110 PolarHBondContact O-N 2.86Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 3.39Å; L110-I113 PolarHBondContact O-N 2.72Å; L110-I114 HydrophobicContact CD1-CD1 4.33Å; L110-I114 HydrophobicContact CG-CD1 4.04Å; L110-I114 WeakPolarHBondContact O-CG1 3.34Å; L110-I114 PolarHBondContact O-N 2.86Å; L110-M125 HydrophobicContact CD1-CE 3.26Å; L110-M125 HydrophobicContact CD1-SD 4.14Å
111N97Very high95.5Very high102 Ų10258.3 Ų58.355%0.54531%0.311SS..Hα-helixtrans-62.7-36.6176.6-73.5-32.6000112N107 D108 L109 I114 A115N107-N111 WeakPolarHBondContact O-CB 3.41Å; N107-N111 PolarHBondContact O-N 3.03Å; N107-N111 PolarHBondContact O-ND2 3.11Å; D108-N111 PolarHBondContact O-N 2.93Å; L109-N111 PolarHBondContact O-N 3.38Å; N111-I114 PolarHBondContact O-N 2.88Å; N111-A115 WeakPolarHBondContact O-CB 3.41Å; N111-A115 PolarHBondContact O-N 2.93Å
112Q97.1Very high95.4Very high51 Ų5159.5 Ų59.524%0.23832%0.318CS..Hα-helixtrans-61.6-42.1174.1-175.7179.3-10.800111.8L84 D108 L109 L110 S116L84-Q112 HydrophobicContact CD1-CG 4.07Å; D108-Q112 PolarHBondContact O-N 3.44Å; L109-Q112 WeakPolarHBondContact O-CB 3.37Å; L109-Q112 PolarHBondContact O-N 3.22Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 3.39Å; Q112-S116 PolarHBondContact O-N 2.77Å
113I97.2Very high95.3Very high2 Ų265.2 Ų65.21%0.0135%0.346CS..Hα-helixtrans-64.5-46.5175.8-62.4164.5000110.5I80 F101 L109 L110 A115 S116 I122 M125I80-I113 HydrophobicContact CD1-CD1 3.83Å; I80-I113 HydrophobicContact CD1-CG1 4.47Å; I80-I113 HydrophobicContact CG2-CD1 4.35Å; I80-I113 HydrophobicContact CG2-CG1 3.83Å; F101-I113 HydrophobicContact CE2-CD1 4.43Å; F101-I113 HydrophobicContact CZ-CD1 3.94Å; L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 3.06Å; L110-I113 PolarHBondContact O-N 2.72Å; I113-A115 VanDerWaalsContact C-N 3.27Å; I113-A115 PolarHBondContact O-N 3.45Å; I113-S116 WeakPolarHBondContact O-CB 3.39Å; I113-S116 PolarHBondContact O-N 2.93Å; I113-S116 PolarHBondContact O-OG 3.42Å; I113-I122 HydrophobicContact CG2-CD1 3.57Å; I113-M125 HydrophobicContact CD1-SD 4.21Å
114I96.5Very high95.2Very high94 Ų9466.1 Ų66.148%0.48235%0.35SS..Hα-helixtrans-61.1-37.4-178.9-68.3166.9000111.5L110 N111 S116L110-I114 HydrophobicContact CD1-CD1 4.33Å; L110-I114 HydrophobicContact CG-CD1 4.04Å; L110-I114 WeakPolarHBondContact O-CG1 3.34Å; L110-I114 PolarHBondContact O-N 2.86Å; N111-I114 PolarHBondContact O-N 2.88Å; I114-S116 PolarHBondContact O-N 3.42Å
115A96Very high95.4Very high92 Ų9267 Ų6776%0.7635%0.348SS*.THydrogen-bonded Turntrans-74.2-12.2177.800000113.8N111 I113N111-A115 WeakPolarHBondContact O-CB 3.41Å; N111-A115 PolarHBondContact O-N 2.93Å; I113-A115 VanDerWaalsContact C-N 3.27Å; I113-A115 PolarHBondContact O-N 3.45Å
116S95.8Very high95.3Very high25 Ų2567.9 Ų67.918%0.17535%0.351CS..SBendtrans-88.4161.7-177.381.20000112.9L84 Q112 I113 I114 A118 V119L84-S116 WeakPolarHBondContact CD2-OG 3.28Å; Q112-S116 PolarHBondContact O-N 2.77Å; I113-S116 WeakPolarHBondContact O-CB 3.39Å; I113-S116 PolarHBondContact O-N 2.93Å; I113-S116 PolarHBondContact O-OG 3.42Å; I114-S116 PolarHBondContact O-N 3.42Å; S116-A118 PolarHBondContact O-N 3.48Å; S116-A118 WeakPolarHBondContact OG-CB 3.36Å; S116-A118 PolarHBondContact OG-N 2.81Å; S116-V119 VanDerWaalsContact O-CG1 3.26Å; S116-V119 WeakPolarHBondContact O-CG1 3.49Å; S116-V119 PolarHBondContact O-N 2.59Å
117Q93.8Very high95.3Very high74 Ų7469.2 Ų69.235%0.34635%0.353SS..G310 helixtrans-69.3-19.3172.6-61.6-64.10.500113.1E89 V119 R120E89-Q117 HydrophobicContact CB-CG 4.29Å; Q117-V119 PolarHBondContact O-N 3.39Å; Q117-R120 PolarHBondContact O-N 3.04Å
118A95Very high95.2Very high1 Ų164 Ų641%0.00833%0.325CS..G310 helixtrans-58.4-31.617800000111.8L84 F87 S116 R120 R121 I122L84-A118 HydrophobicContact CD2-CB 3.61Å; F87-A118 HydrophobicContact CB-CB 3.71Å; F87-A118 HydrophobicContact CD2-CB 4.15Å; F87-A118 HydrophobicContact CG-CB 4.21Å; S116-A118 PolarHBondContact O-N 3.48Å; S116-A118 WeakPolarHBondContact OG-CB 3.36Å; S116-A118 PolarHBondContact OG-N 2.81Å; A118-R120 PolarHBondContact O-N 2.99Å; A118-R121 PolarHBondContact O-N 2.9Å; A118-I122 HydrophobicContact CB-CD1 4.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.39Å; A118-I122 PolarHBondContact O-N 3Å
119V95.6Very high95Very high63 Ų6359.7 Ų59.738%0.38230%0.302SS..G310 helixtrans-54.8-31.1-179.980.10000113S116 Q117 R121S116-V119 VanDerWaalsContact O-CG1 3.26Å; S116-V119 WeakPolarHBondContact O-CG1 3.49Å; S116-V119 PolarHBondContact O-N 2.59Å; Q117-V119 PolarHBondContact O-N 3.39Å; V119-R121 PolarHBondContact O-N 3Å
120R95.1Very high94.9Very high202 Ų20259.3 Ų59.376%0.76230%0.3SS*.G310 helixtrans-71.6-17.9179.2-58-174.6-170.3-148.2-0.2113.3Q117 A118Q117-R120 PolarHBondContact O-N 3.04Å; A118-R120 PolarHBondContact O-N 2.99Å
121R95.9Very high94.9Very high91 Ų9157.6 Ų57.634%0.34329%0.291SS..THydrogen-bonded Turntrans-111.8-11-177.6-68.5-174.6179.8-80.8-2.8112.9F87 S95 A96 A97 A118 V119 M123F87-R121 HydrophobicContact CD1-CB 4.05Å; F87-R121 HydrophobicContact CD1-CG 4.47Å; F87-R121 HydrophobicContact CE1-CB 4.34Å; S95-R121 PolarHBondContact O-NH1 2.84Å; A96-R121 WeakPolarHBondContact CA-O 3.25Å; A97-R121 PolarHBondContact N-O 2.85Å; A118-R121 PolarHBondContact O-N 2.9Å; V119-R121 PolarHBondContact O-N 3Å; R121-M123 PolarHBondContact O-N 2.86Å
122I96.1Very high94.9Very high31 Ų3152.8 Ų52.816%0.15927%0.265CS..EExtended strand (participates in β ladder)trans-75.4110.8174.5-67.6167.5000108.8A97 V99 I113 A118 N124 M125A97-I122 HydrophobicContact CB-CG1 4.06Å; A97-I122 WeakPolarHBondContact O-CA 3.22Å; V99-I122 HydrophobicContact CG2-CD1 4.41Å; V99-I122 HydrophobicContact CG2-CG1 4.2Å; V99-I122 HydrophobicContact CG2-CG2 4.25Å; I113-I122 HydrophobicContact CG2-CD1 3.57Å; A118-I122 HydrophobicContact CB-CD1 4.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.39Å; A118-I122 PolarHBondContact O-N 3Å; I122-N124 WeakPolarHBondContact CG2-O 3.11Å; I122-M125 HydrophobicContact CG2-CB 4.23Å
123M94.6Very high94.8Very high122 Ų12250.5 Ų50.560%0.60126%0.255SS*.EExtended strand (participates in β ladder)trans-82.8-34.3-178.5-61.6-66.2-97.500111.9A96 A97 R121A96-M123 HydrophobicContact CB-CG 3.78Å; A96-M123 HydrophobicContact CB-SD 4.44Å; A97-M123 PolarHBondContact O-N 3.3Å; R121-M123 PolarHBondContact O-N 2.86Å
124N92.1Very high94.7Very high33 Ų3350.4 Ų50.418%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-151.2152.6172.257.235.2000110.7H98 V99 I122 I126H98-N124 WeakPolarHBondContact CA-OD1 3.11Å; H98-N124 VanDerWaalsContact CB-OD1 3.22Å; H98-N124 WeakPolarHBondContact CB-OD1 3.38Å; H98-N124 VanDerWaalsContact ND1-CG 3.33Å; H98-N124 PolarHBondContact ND1-ND2 3.49Å; H98-N124 PolarHBondContact ND1-OD1 3.02Å; V99-N124 PolarHBondContact N-O 3.42Å; I122-N124 WeakPolarHBondContact CG2-O 3.11Å; N124-I126 HydrophobicContact CB-CD1 4.48Å
125M94.5Very high94.6Very high77 Ų7748 Ų4838%0.37924%0.242SC..EExtended strand (participates in β ladder)trans-139.8115.1175.9-172.9169.358.600108V99 F101 L110 I113 I122V99-M125 HydrophobicContact CB-CG 4.29Å; V99-M125 HydrophobicContact CG1-CG 4.36Å; V99-M125 CarbonylContact O-C 3.53Å; V99-M125 WeakPolarHBondContact O-CA 3.44Å; F101-M125 HydrophobicContact CD2-CG 4.2Å; F101-M125 HydrophobicContact CE2-CG 3.74Å; F101-M125 HydrophobicContact CE2-SD 3.71Å; F101-M125 HydrophobicContact CZ-SD 4.38Å; L110-M125 HydrophobicContact CD1-CE 3.26Å; L110-M125 HydrophobicContact CD1-SD 4.14Å; I113-M125 HydrophobicContact CD1-SD 4.21Å; I122-M125 HydrophobicContact CG2-CB 4.23Å
126I93.8Very high94.5Very high41 Ų4144.2 Ų44.221%0.2121%0.209CC..EExtended strand (participates in β ladder)trans-134.3138-168.8-61.2174.5000109.9K18 V99 F100 F101 N124K18-I126 HydrophobicContact CD-CD1 3.97Å; V99-I126 PolarHBondContact O-N 3.3Å; F100-I126 CarbonylContact C-O 3.56Å; F100-I126 VanDerWaalsContact CA-O 3.3Å; F100-I126 WeakPolarHBondContact CA-O 3.42Å; F100-I126 HydrophobicContact CD1-CB 3.9Å; F100-I126 HydrophobicContact CD1-CD1 4.42Å; F100-I126 HydrophobicContact CD1-CG2 4.39Å; F100-I126 HydrophobicContact CE1-CB 4.17Å; F100-I126 HydrophobicContact CE1-CD1 3.81Å; F100-I126 HydrophobicContact CE1-CG1 4.42Å; F101-I126 PolarHBondContact N-O 3.12Å; N124-I126 HydrophobicContact CB-CD1 4.48Å
127Q93Very high94.3Very high80 Ų8043.7 Ų43.737%0.37421%0.205SC..EExtended strand (participates in β ladder)trans-87126167.3174.1-178.8-26.800109.7S104 S129S104-Q127 VanDerWaalsContact CA-OE1 3.27Å; S104-Q127 PolarHBondContact OG-OE1 3.32Å; Q127-S129 PolarHBondContact NE2-OG 3.47Å; Q127-S129 VanDerWaalsContact NE2-OG 3.1Å
128L91.8Very high94.3Very high13 Ų1341.2 Ų41.27%0.06819%0.193CC..  trans-86.6-30.3179.7-65.4176.3000113.3L11 H14 V15 I72 F100 F101 L102 V130L11-L128 HydrophobicContact CD2-CD1 3.81Å; H14-L128 HydrophobicContact CB-CD2 4.01Å; V15-L128 HydrophobicContact CG2-CD1 3.84Å; V15-L128 HydrophobicContact CG2-CD2 3.6Å; V15-L128 HydrophobicContact CG2-CG 4.35Å; I72-L128 HydrophobicContact CG2-CD1 4.18Å; F100-L128 HydrophobicContact CB-CD1 3.84Å; F100-L128 HydrophobicContact CB-CD2 4.5Å; F100-L128 HydrophobicContact CB-CG 4.08Å; F100-L128 HydrophobicContact CD1-CD2 3.91Å; F100-L128 HydrophobicContact CD1-CG 4.38Å; F101-L128 PolarHBondContact O-N 2.86Å; L102-L128 HydrophobicContact CD2-CD1 4.39Å; L128-V130 HydrophobicContact CB-CG2 4.35Å
129S91.4Very high94.4Very high6 Ų641.3 Ų41.34%0.04219%0.194CC..  trans5848.4-171.1-47.50000112.5L102 Q127 S174 T178L102-S129 CarbonylContact O-C 3.59Å; L102-S129 VanDerWaalsContact O-CA 3.27Å; L102-S129 WeakPolarHBondContact O-CA 3.4Å; L102-S129 PolarHBondContact O-N 3.48Å; L102-S129 VanDerWaalsContact O-N 3.1Å; Q127-S129 PolarHBondContact NE2-OG 3.47Å; Q127-S129 VanDerWaalsContact NE2-OG 3.1Å; S129-S174 WeakPolarHBondContact O-CB 3.39Å; S129-T178 PolarHBondContact O-OG1 3.42Å
130V94.8Very high94.5Very high0 Ų038.3 Ų38.30%018%0.176CC..  trans-132.766.9174.8-172.60000107.9V7 V37 L102 L128 F132V7-V130 HydrophobicContact CG1-CG1 3.78Å; V7-V130 HydrophobicContact CG2-CG1 4.22Å; V37-V130 HydrophobicContact CG1-CG1 3.93Å; L102-V130 PolarHBondContact O-N 3.29Å; L128-V130 HydrophobicContact CB-CG2 4.35Å; V130-F132 HydrophobicContact CG1-CE1 4.12Å; V130-F132 HydrophobicContact CG1-CZ 4.39Å
131D95.4Very high94.6Very high10 Ų1029 Ų295%0.05314%0.141CC..  trans-104.752.8-177.7-162.5-0.8000111.8R74 L102 S103 Q171 S174R74-D131 IonicContact CZ-OD1 3.21Å; R74-D131 IonicContact NE-OD1 2.89Å; R74-D131 PolarHBondContact NE-OD1 3.14Å; R74-D131 IonicContact NE-OD2 2.66Å; R74-D131 IonicContact NH2-OD1 3.79Å; R74-D131 PolarHBondContact NH2-OD1 3.35Å; L102-D131 HydrophobicContact CB-CB 4.16Å; S103-D131 WeakPolarHBondContact CB-OD2 3.41Å; S103-D131 PolarHBondContact OG-OD2 2.88Å; D131-Q171 HydrophobicContact CB-CG 4.11Å; D131-Q171 WeakPolarHBondContact O-CB 3.47Å; D131-Q171 WeakPolarHBondContact O-CG 3.36Å; D131-Q171 PolarHBondContact O-NE2 3.1Å; D131-S174 PolarHBondContact N-OG 3.21Å
132F97.3Very high94.7Very high0 Ų024.7 Ų24.70%013%0.125CC..SBendtrans-155.9157.617765.4-85.6000110.2L3 V7 V37 V130 P134 L142 S174 V175 T178L3-F132 HydrophobicContact CD1-CE2 4.02Å; L3-F132 HydrophobicContact CD1-CZ 4.18Å; L3-F132 HydrophobicContact CD2-CE2 4.01Å; L3-F132 HydrophobicContact CG-CE2 4.2Å; V7-F132 HydrophobicContact CG2-CE2 3.86Å; V7-F132 HydrophobicContact CG2-CZ 3.72Å; V37-F132 WeakPolarHBondContact CG2-O 3.45Å; V130-F132 HydrophobicContact CG1-CE1 4.12Å; V130-F132 HydrophobicContact CG1-CZ 4.39Å; F132-P134 HydrophobicContact CE2-CB 4.44Å; F132-L142 HydrophobicContact CB-CD2 3.72Å; F132-S174 WeakPolarHBondContact CD1-OG 3.42Å; F132-V175 HydrophobicContact CB-CG2 4.01Å; F132-V175 HydrophobicContact CD1-CB 4.37Å; F132-V175 HydrophobicContact CD1-CG2 3.53Å; F132-V175 HydrophobicContact CD2-CG2 3.96Å; F132-V175 HydrophobicContact CE1-CB 4.3Å; F132-V175 HydrophobicContact CE1-CG2 3.91Å; F132-V175 HydrophobicContact CE2-CG2 4.31Å; F132-V175 HydrophobicContact CG-CG2 3.54Å; F132-V175 HydrophobicContact CZ-CG2 4.28Å; F132-T178 HydrophobicContact CZ-CG2 4.04Å
133I95.9Very high94.6Very high4 Ų426.1 Ų26.12%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-96.9118.4178.3-47.5-50.7000109.6R36 V37 L135 Y140 S141 E143R36-I133 HydrophobicContact CB-CD1 3.69Å; R36-I133 HydrophobicContact CB-CG1 4.33Å; R36-I133 HydrophobicContact CB-CG2 4.39Å; V37-I133 HydrophobicContact CG2-CD1 3.55Å; I133-L135 HydrophobicContact CB-CD2 4.45Å; I133-L135 HydrophobicContact CG2-CD2 3.94Å; I133-L135 PolarHBondContact O-N 3.24Å; I133-L135 VanDerWaalsContact O-N 3.16Å; I133-Y140 CarbonylContact O-C 3.53Å; I133-Y140 VanDerWaalsContact O-CA 3.27Å; I133-Y140 WeakPolarHBondContact O-CA 3.42Å; I133-S141 PolarHBondContact N-O 3.09Å; I133-S141 PolarHBondContact O-N 2.89Å; I133-E143 VanDerWaalsContact CG1-CD 3.44Å; I133-E143 HydrophobicContact CG1-CG 3.86Å
134P95.4Very high94.7Very high0 Ų020.8 Ų20.80%011%0.107CC..EExtended strand (participates in β ladder)trans-77.994.9171.733.3-34.2000109.5L3 I4 V7 S40 F132L3-P134 HydrophobicContact CD2-CB 4.21Å; L3-P134 HydrophobicContact CG-CB 4.1Å; I4-P134 HydrophobicContact CG1-CB 3.96Å; I4-P134 HydrophobicContact CG1-CG 4.45Å; V7-P134 HydrophobicContact CB-CG 4.23Å; V7-P134 HydrophobicContact CG1-CG 4.24Å; V7-P134 HydrophobicContact CG2-CB 4.15Å; V7-P134 HydrophobicContact CG2-CG 4.01Å; S40-P134 WeakPolarHBondContact CB-O 3.46Å; F132-P134 HydrophobicContact CE2-CB 4.44Å
135L93.2Very high94.8Very high43 Ų4321.6 Ų21.623%0.22511%0.113CC..EExtended strand (participates in β ladder)trans-69.8-40.3-175.1-64.9175.8000112.2I133 L139 F621 L680I133-L135 HydrophobicContact CB-CD2 4.45Å; I133-L135 HydrophobicContact CG2-CD2 3.94Å; I133-L135 PolarHBondContact O-N 3.24Å; I133-L135 VanDerWaalsContact O-N 3.16Å; L135-L139 HydrophobicContact CB-CB 4.17Å; L135-L139 PolarHBondContact N-O 3.48Å; L135-F621 HydrophobicContact CD1-CE1 4.49Å; L135-F621 HydrophobicContact CD1-CZ 3.89Å; L135-L680 HydrophobicContact CD1-CB 4.41Å
136E93.3Very high94.8Very high13 Ų1323.3 Ų23.36%0.06112%0.12CC..EExtended strand (participates in β ladder)trans-147.2178.5178.7-57.9-174.8165.600109.9H138 L139 Q245 R280 Y630E136-H138 PolarHBondContact O-N 3.25Å; E136-L139 HydrophobicContact CB-CB 3.96Å; E136-L139 HydrophobicContact CB-CD1 4.22Å; E136-L139 HydrophobicContact CB-CG 4.11Å; E136-L139 VanDerWaalsContact CD-CD1 3.46Å; E136-L139 HydrophobicContact CG-CB 4.33Å; E136-L139 HydrophobicContact CG-CD1 3.91Å; E136-L139 HydrophobicContact CG-CG 4.35Å; E136-L139 PolarHBondContact N-O 3.4Å; E136-L139 PolarHBondContact O-N 3.38Å; E136-L139 WeakPolarHBondContact OE2-CD1 3.46Å; E136-Q245 PolarHBondContact OE1-NE2 2.68Å; E136-R280 IonicContact OE1-CZ 3.78Å; E136-R280 IonicContact OE1-NH1 3.84Å; E136-R280 PolarHBondContact OE1-NH1 2.8Å; E136-R280 IonicContact OE2-CZ 3.7Å; E136-R280 IonicContact OE2-NE 3.55Å; E136-R280 IonicContact OE2-NH1 2.88Å; E136-R280 PolarHBondContact OE2-NH1 3.25Å; E136-R280 VanDerWaalsContact OE2-NH1 3.17Å; E136-R280 IonicContact OE2-NH2 3.82Å; E136-R280 PolarHBondContact OE2-NH2 3.35Å; E136-R280 VanDerWaalsContact OE2-NH2 3.16Å; E136-Y630 WeakPolarHBondContact CB-OH 3.5Å; E136-Y630 WeakPolarHBondContact OE2-CE2 3.44Å; E136-Y630 PolarHBondContact OE2-OH 2.93Å
137S92.2Very high94.8Very high13 Ų1321.9 Ų21.99%0.09111%0.114CC..THydrogen-bonded Turntrans-55.2-29179.4-69.20000114.7S2 L3 D271S2-S137 WeakPolarHBondContact CB-OG 3.27Å; S2-S137 WeakPolarHBondContact OG-CA 3.41Å; S2-S137 WeakPolarHBondContact OG-CB 3.34Å; S2-S137 PolarHBondContact OG-OG 3.05Å; L3-S137 WeakPolarHBondContact CB-O 3.14Å; L3-S137 PolarHBondContact N-O 3.1Å; S137-D271 PolarHBondContact N-OD2 3.17Å; S137-D271 PolarHBondContact OG-OD2 2.94Å
138H94.1Very high94.8Very high22 Ų2218.1 Ų18.110%0.10210%0.096CC..THydrogen-bonded Turntrans-124.811.3177.4-64.1-101.3000113.3E136 Y630 E672 V673 V674 L675E136-H138 PolarHBondContact O-N 3.25Å; H138-Y630 HydrophobicContact CB-CD1 4.36Å; H138-Y630 HydrophobicContact CB-CE1 3.72Å; H138-Y630 HydrophobicContact CB-CE2 4.36Å; H138-Y630 AromaticContact CD2-CE1 3.38Å; H138-Y630 WeakPolarHBondContact CD2-CE1 3.42Å; H138-Y630 AromaticContact CG-CE1 3.78Å; H138-Y630 PolarHBondContact N-OH 2.75Å; H138-E672 IonicContact CE1-OE1 2.81Å; H138-E672 PolarHBondContact CE1-OE1 2.99Å; H138-E672 IonicContact ND1-OE1 3.19Å; H138-E672 PolarHBondContact ND1-OE1 3.18Å; H138-V673 PolarHBondContact ND1-O 3.5Å; H138-V674 CarbonylContact O-C 3.52Å; H138-V674 WeakPolarHBondContact O-CA 3.46Å; H138-L675 PolarHBondContact O-N 3.07Å
139L96.4Very high94.9Very high4 Ų419 Ų192%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-122.2140.5-176.2-58.3-177.6000113.2L135 E136 F621 A626 Y630 L675L135-L139 HydrophobicContact CB-CB 4.17Å; L135-L139 PolarHBondContact N-O 3.48Å; E136-L139 HydrophobicContact CB-CB 3.96Å; E136-L139 HydrophobicContact CB-CD1 4.22Å; E136-L139 HydrophobicContact CB-CG 4.11Å; E136-L139 VanDerWaalsContact CD-CD1 3.46Å; E136-L139 HydrophobicContact CG-CB 4.33Å; E136-L139 HydrophobicContact CG-CD1 3.91Å; E136-L139 HydrophobicContact CG-CG 4.35Å; E136-L139 PolarHBondContact N-O 3.4Å; E136-L139 PolarHBondContact O-N 3.38Å; E136-L139 WeakPolarHBondContact OE2-CD1 3.46Å; L139-F621 HydrophobicContact CD1-CE2 4.31Å; L139-F621 HydrophobicContact CD2-CE2 4.28Å; L139-A626 HydrophobicContact CD1-CB 3.58Å; L139-A626 HydrophobicContact CD2-CB 3.57Å; L139-A626 HydrophobicContact CG-CB 4.22Å; L139-Y630 HydrophobicContact CD1-CE2 4.11Å; L139-Y630 HydrophobicContact CD2-CE2 4.16Å; L139-Y630 HydrophobicContact CG-CE2 3.87Å; L139-L675 VanDerWaalsContact CA-O 3.25Å; L139-L675 WeakPolarHBondContact CA-O 3.43Å; L139-L675 HydrophobicContact CD2-CB 4.05Å; L139-L675 HydrophobicContact CD2-CD2 4.18Å; L139-L675 WeakPolarHBondContact CD2-O 3.43Å
140Y97.7Very high95.1Very high0 Ų019.3 Ų19.30%010%0.101CC..EExtended strand (participates in β ladder)trans-139.3155.7173.968.1-85.5000113.3L3 I133 L142 L172 V175 I614 V615 F616 F621 V674 L675 G676 G677L3-Y140 HydrophobicContact CD2-CD1 4.35Å; L3-Y140 HydrophobicContact CD2-CG 4.44Å; I133-Y140 CarbonylContact O-C 3.53Å; I133-Y140 VanDerWaalsContact O-CA 3.27Å; I133-Y140 WeakPolarHBondContact O-CA 3.42Å; Y140-L142 HydrophobicContact CD2-CD2 4.04Å; Y140-L142 HydrophobicContact CE2-CD2 4.13Å; Y140-L172 HydrophobicContact CE2-CD1 4.16Å; Y140-L172 WeakPolarHBondContact OH-CD1 3.37Å; Y140-V175 HydrophobicContact CD1-CG1 4.17Å; Y140-V175 HydrophobicContact CD2-CG1 4.42Å; Y140-V175 HydrophobicContact CD2-CG2 3.69Å; Y140-V175 HydrophobicContact CE1-CG1 4.05Å; Y140-V175 HydrophobicContact CE2-CG1 4.31Å; Y140-V175 HydrophobicContact CE2-CG2 3.76Å; Y140-V175 HydrophobicContact CG-CG1 4.35Å; Y140-V175 HydrophobicContact CG-CG2 4.24Å; Y140-I614 HydrophobicContact CE1-CG2 4.23Å; Y140-V615 PolarHBondContact OH-O 3.49Å; Y140-F616 AromaticContact CE2-CD2 3.96Å; Y140-F616 HydrophobicContact CE2-CD2 3.96Å; Y140-F616 HydrophobicContact CE2-CE2 4.44Å; Y140-F621 VanDerWaalsContact O-CE1 3.3Å; Y140-F621 WeakPolarHBondContact O-CE1 3.13Å; Y140-V674 HydrophobicContact CD1-CG1 3.82Å; Y140-V674 HydrophobicContact CE1-CG1 3.98Å; Y140-L675 PolarHBondContact N-O 3.15Å; Y140-G676 VanDerWaalsContact CE1-N 3.33Å; Y140-G676 WeakPolarHBondContact O-CA 3.19Å; Y140-G677 PolarHBondContact O-N 3.05Å
141S97.7Very high95.1Very high6 Ų619.6 Ų19.64%0.04210%0.102CC..EExtended strand (participates in β ladder)trans-131.7139.4174.4171.90000110.3I133 E143 H679I133-S141 PolarHBondContact N-O 3.09Å; I133-S141 PolarHBondContact O-N 2.89Å; S141-E143 PolarHBondContact OG-N 3.11Å; S141-E143 VanDerWaalsContact OG-N 3.15Å; S141-H679 WeakPolarHBondContact OG-CA 3.17Å
142L97.9Very high95.1Very high0 Ų020.4 Ų20.40%011%0.105CC..  trans-86.3-14.6172.2-52-171.1000112.9F132 Y140 A144 I168 Q171 L172 V175 F616 G677F132-L142 HydrophobicContact CB-CD2 3.72Å; Y140-L142 HydrophobicContact CD2-CD2 4.04Å; Y140-L142 HydrophobicContact CE2-CD2 4.13Å; L142-A144 VanDerWaalsContact C-N 3.27Å; L142-A144 HydrophobicContact CB-CB 4.25Å; L142-A144 PolarHBondContact O-N 3.25Å; L142-I168 HydrophobicContact CD1-CG2 3.96Å; L142-Q171 HydrophobicContact CB-CB 4.4Å; L142-Q171 HydrophobicContact CD1-CB 3.94Å; L142-Q171 HydrophobicContact CD2-CB 3.93Å; L142-Q171 HydrophobicContact CG-CB 4.29Å; L142-Q171 PolarHBondContact O-NE2 3.01Å; L142-L172 HydrophobicContact CD1-CB 4.42Å; L142-V175 HydrophobicContact CD2-CG2 4.26Å; L142-F616 HydrophobicContact CD1-CD2 4.44Å; L142-F616 HydrophobicContact CD1-CE1 4.49Å; L142-F616 HydrophobicContact CD1-CE2 3.34Å; L142-F616 HydrophobicContact CD1-CZ 3.38Å; L142-F616 HydrophobicContact CG-CE2 3.75Å; L142-F616 HydrophobicContact CG-CZ 4.23Å; L142-G677 PolarHBondContact N-O 3.46Å; L142-G677 VanDerWaalsContact N-O 3.1Å
143E94.5Very high95Very high62 Ų6220.4 Ų20.429%0.2911%0.105SC..  trans53.142-172.2-59-173.8139.600113.8R36 I133 S141 T678R36-E143 WeakPolarHBondContact CD-OE1 3.23Å; R36-E143 IonicContact CZ-OE1 2.63Å; R36-E143 IonicContact CZ-OE2 2.86Å; R36-E143 IonicContact NE-OE1 3.03Å; R36-E143 PolarHBondContact NE-OE1 2.86Å; R36-E143 IonicContact NE-OE2 2.8Å; R36-E143 PolarHBondContact NE-OE2 3.07Å; R36-E143 IonicContact NH2-OE1 3.36Å; R36-E143 IonicContact NH2-OE2 2.97Å; R36-E143 PolarHBondContact NH2-OE2 2.75Å; I133-E143 VanDerWaalsContact CG1-CD 3.44Å; I133-E143 HydrophobicContact CG1-CG 3.86Å; S141-E143 PolarHBondContact OG-N 3.11Å; S141-E143 VanDerWaalsContact OG-N 3.15Å; E143-T678 CarbonylContact C-O 3.51Å; E143-T678 VanDerWaalsContact CA-O 3.26Å; E143-T678 WeakPolarHBondContact CA-O 3.4Å; E143-T678 PolarHBondContact N-O 3.3Å
144A96Very high94.8Very high10 Ų1022.4 Ų22.48%0.08312%0.118CC..  trans-105.545.8-176.900000112L142 E146 S147 A148 I168 T678L142-A144 VanDerWaalsContact C-N 3.27Å; L142-A144 HydrophobicContact CB-CB 4.25Å; L142-A144 PolarHBondContact O-N 3.25Å; A144-E146 PolarHBondContact O-N 3.19Å; A144-S147 PolarHBondContact O-N 3.4Å; A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 2.85Å; A144-I168 HydrophobicContact CB-CG1 4.29Å; A144-T678 HydrophobicContact CB-CG2 4.38Å; A144-T678 PolarHBondContact N-O 3.05Å
145T94.9Very high94.5Very high50 Ų5026 Ų2631%0.30714%0.143SC..Hα-helixtrans-57.1-48.8-173.1-54.20000113.6A148 Q149 H679 N689T145-A148 VanDerWaalsContact O-CB 3.31Å; T145-A148 WeakPolarHBondContact O-CB 3.36Å; T145-A148 PolarHBondContact O-N 2.95Å; T145-Q149 WeakPolarHBondContact O-CG 3.47Å; T145-Q149 PolarHBondContact O-N 3.08Å; T145-H679 PolarHBondContact OG1-ND1 2.91Å; T145-N689 WeakPolarHBondContact CG2-OD1 3.26Å
146E93.8Very high94.3Very high112 Ų11227.4 Ų27.452%0.52315%0.151SC..Hα-helixtrans-62.4-48.4179.2-170.9-165.4145.900111.4A144 A148 Q149 L150 R164A144-E146 PolarHBondContact O-N 3.19Å; E146-A148 PolarHBondContact O-N 3.37Å; E146-Q149 PolarHBondContact O-N 2.77Å; E146-Q149 VanDerWaalsContact O-N 3.14Å; E146-L150 HydrophobicContact CG-CD1 4.13Å; E146-L150 WeakPolarHBondContact O-CG 3.41Å; E146-L150 PolarHBondContact O-N 3.22Å; E146-R164 IonicContact OE1-CZ 3.62Å; E146-R164 IonicContact OE1-NH1 3.88Å; E146-R164 PolarHBondContact OE1-NH1 3.33Å; E146-R164 IonicContact OE1-NH2 3.13Å; E146-R164 PolarHBondContact OE1-NH2 2.5Å
147S95Very high94.1Very high12 Ų1229 Ų298%0.08416%0.16CC..Hα-helixtrans-59.8-33.1176.2-60.90000112A144 Y151A144-S147 PolarHBondContact O-N 3.4Å; S147-Y151 WeakPolarHBondContact O-CB 3.18Å; S147-Y151 PolarHBondContact O-N 3.23Å
148A92.6Very high94.1Very high1 Ų128.7 Ų28.71%0.00816%0.157CC..Hα-helixtrans-68.3-42175.300000112.9A144 T145 E146 Y151 F152 T678A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 2.85Å; T145-A148 VanDerWaalsContact O-CB 3.31Å; T145-A148 WeakPolarHBondContact O-CB 3.36Å; T145-A148 PolarHBondContact O-N 2.95Å; E146-A148 PolarHBondContact O-N 3.37Å; A148-Y151 VanDerWaalsContact O-CB 3.24Å; A148-Y151 WeakPolarHBondContact O-CB 3.35Å; A148-Y151 PolarHBondContact O-N 3.47Å; A148-F152 WeakPolarHBondContact O-CD2 3.49Å; A148-F152 WeakPolarHBondContact O-CE2 3.46Å; A148-T678 HydrophobicContact CB-CG2 3.72Å; A148-T678 VanDerWaalsContact CB-OG1 3.23Å; A148-T678 WeakPolarHBondContact CB-OG1 3.33Å
149Q93.2Very high94Very high30 Ų3035.7 Ų35.714%0.1419%0.19CC..Hα-helixtrans-62-45.8176-69.4169.15.800110.8T145 E146 Y151 N689 I693T145-Q149 WeakPolarHBondContact O-CG 3.47Å; T145-Q149 PolarHBondContact O-N 3.08Å; E146-Q149 PolarHBondContact O-N 2.77Å; E146-Q149 VanDerWaalsContact O-N 3.14Å; Q149-Y151 VanDerWaalsContact C-N 3.26Å; Q149-Y151 PolarHBondContact O-N 2.96Å; Q149-N689 HydrophobicContact CG-CB 4.18Å; Q149-N689 PolarHBondContact NE2-OD1 3.45Å; Q149-I693 HydrophobicContact CB-CG1 3.8Å; Q149-I693 HydrophobicContact CG-CG1 4.26Å
150L94.7Very high93.9Very high14 Ų1439 Ų397%0.07321%0.207CC..Hα-helixtrans-70.3-21.8-179.6-63.6173.4000113.4E146 F152 L153 V158 R164 I696E146-L150 HydrophobicContact CG-CD1 4.13Å; E146-L150 WeakPolarHBondContact O-CG 3.41Å; E146-L150 PolarHBondContact O-N 3.22Å; L150-F152 PolarHBondContact O-N 3.46Å; L150-L153 HydrophobicContact CD2-CD1 4.14Å; L150-L153 PolarHBondContact O-N 3.22Å; L150-L153 VanDerWaalsContact O-N 3.08Å; L150-V158 HydrophobicContact CB-CG1 4.17Å; L150-V158 HydrophobicContact CB-CG2 4.23Å; L150-V158 HydrophobicContact CD1-CG1 4.46Å; L150-V158 HydrophobicContact CD2-CG1 4.39Å; L150-V158 HydrophobicContact CD2-CG2 3.73Å; L150-R164 VanDerWaalsContact CD1-NH1 3.35Å; L150-I696 HydrophobicContact CD2-CD1 3.41Å; L150-I696 VanDerWaalsContact CD2-CD1 3.41Å; L150-I696 HydrophobicContact CG-CD1 4.47Å
151Y96.5Very high93.7Very high6 Ų640.1 Ų40.12%0.02421%0.212CC..Hα-helixtrans-57.4-36.8-178.1-166.8-96.6000113.2S147 A148 Q149 L153 K161 I165 I168 S192 N193 D229 V618S147-Y151 WeakPolarHBondContact O-CB 3.18Å; S147-Y151 PolarHBondContact O-N 3.23Å; A148-Y151 VanDerWaalsContact O-CB 3.24Å; A148-Y151 WeakPolarHBondContact O-CB 3.35Å; A148-Y151 PolarHBondContact O-N 3.47Å; Q149-Y151 VanDerWaalsContact C-N 3.26Å; Q149-Y151 PolarHBondContact O-N 2.96Å; Y151-L153 VanDerWaalsContact C-N 3.31Å; Y151-K161 WeakPolarHBondContact O-CE 3.39Å; Y151-K161 PolarHBondContact O-NZ 3.23Å; Y151-I165 HydrophobicContact CD2-CD1 4.37Å; Y151-I165 HydrophobicContact CD2-CG1 3.98Å; Y151-I165 HydrophobicContact CE2-CD1 4.06Å; Y151-I165 HydrophobicContact CE2-CG1 3.84Å; Y151-I168 HydrophobicContact CD2-CD1 4.47Å; Y151-S192 VanDerWaalsContact CZ-CB 3.44Å; Y151-S192 PolarHBondContact OH-O 3.46Å; Y151-S192 VanDerWaalsContact OH-O 3.07Å; Y151-N193 WeakPolarHBondContact CE1-OD1 3.45Å; Y151-N193 VanDerWaalsContact OH-CA 3.22Å; Y151-N193 WeakPolarHBondContact OH-CA 3.5Å; Y151-N193 PolarHBondContact OH-N 3.25Å; Y151-N193 VanDerWaalsContact OH-N 3.11Å; Y151-N193 PolarHBondContact OH-OD1 2.82Å; Y151-D229 HydrophobicContact CE1-CB 4.28Å; Y151-V618 HydrophobicContact CD1-CB 4.26Å; Y151-V618 HydrophobicContact CD1-CG1 3.45Å; Y151-V618 VanDerWaalsContact CD1-CG1 3.45Å; Y151-V618 HydrophobicContact CD2-CG1 3.74Å; Y151-V618 HydrophobicContact CE1-CB 4.06Å; Y151-V618 HydrophobicContact CE1-CG1 3.64Å; Y151-V618 HydrophobicContact CE1-CG2 4.22Å; Y151-V618 HydrophobicContact CE2-CG1 3.94Å; Y151-V618 HydrophobicContact CE2-CG2 4.47Å; Y151-V618 HydrophobicContact CG-CG1 3.47Å; Y151-V618 VanDerWaalsContact CG-CG1 3.47Å
152F95.5Very high93.5Very high26 Ų2644.6 Ų44.611%0.11424%0.235CC..THydrogen-bonded Turntrans-81.4-11.3-178.2-56.9-76.8000113.4A148 L150 D229 R230 I451 I693A148-F152 WeakPolarHBondContact O-CD2 3.49Å; A148-F152 WeakPolarHBondContact O-CE2 3.46Å; L150-F152 PolarHBondContact O-N 3.46Å; F152-D229 HydrophobicContact CE1-CB 3.94Å; F152-D229 HydrophobicContact CZ-CB 4.38Å; F152-R230 HydrophobicContact CE1-CB 4.21Å; F152-R230 HydrophobicContact CZ-CB 3.66Å; F152-I451 HydrophobicContact CB-CG1 4.35Å; F152-I451 HydrophobicContact CD1-CB 4.3Å; F152-I451 HydrophobicContact CD1-CG1 4.22Å; F152-I451 HydrophobicContact CD1-CG2 4.3Å; F152-I451 HydrophobicContact CD2-CG1 3.92Å; F152-I451 HydrophobicContact CE1-CG2 4.13Å; F152-I451 HydrophobicContact CE2-CG1 4.27Å; F152-I451 HydrophobicContact CG-CB 4.42Å; F152-I451 HydrophobicContact CG-CG1 3.89Å; F152-I451 HydrophobicContact CZ-CG2 4.47Å; F152-I693 HydrophobicContact CD2-CD1 4.45Å
153L94.6Very high93.4Very high0 Ų047.8 Ų47.80%026%0.258CS..SBendtrans-86.5145-178.4-62.6-177.7000111.3L150 Y151 I157 V158 K161 F450 I693 I696 I697L150-L153 HydrophobicContact CD2-CD1 4.14Å; L150-L153 PolarHBondContact O-N 3.22Å; L150-L153 VanDerWaalsContact O-N 3.08Å; Y151-L153 VanDerWaalsContact C-N 3.31Å; L153-I157 HydrophobicContact CD1-CG2 4.04Å; L153-V158 HydrophobicContact CB-CG2 3.61Å; L153-V158 HydrophobicContact CD1-CG2 3.95Å; L153-V158 HydrophobicContact CG-CG2 4.4Å; L153-K161 PolarHBondContact O-NZ 2.84Å; L153-F450 HydrophobicContact CD2-CB 4.12Å; L153-F450 HydrophobicContact CD2-CD1 3.76Å; L153-F450 HydrophobicContact CD2-CD2 4.17Å; L153-F450 HydrophobicContact CD2-CE1 4.2Å; L153-F450 HydrophobicContact CD2-CG 3.75Å; L153-I693 HydrophobicContact CD2-CG2 3.91Å; L153-I696 HydrophobicContact CD1-CB 4.21Å; L153-I696 HydrophobicContact CD1-CD1 4.25Å; L153-I696 HydrophobicContact CD1-CG2 3.79Å; L153-I697 HydrophobicContact CD1-CG2 4.2Å; L153-I697 HydrophobicContact CD2-CG2 3.47Å; L153-I697 VanDerWaalsContact CD2-CG2 3.47Å; L153-I697 HydrophobicContact CG-CG2 4.5Å
154P91.7Very high93.3Very high46 Ų4647 Ų4730%0.29925%0.252SS..  trans-69.5156.8176.530.1-36.6000112D156 I157 V158 F450P154-D156 WeakPolarHBondContact CB-OD1 3.49Å; P154-D156 WeakPolarHBondContact CG-OD1 3.47Å; P154-D156 PolarHBondContact O-N 3.04Å; P154-D156 VanDerWaalsContact O-N 3.17Å; P154-I157 HydrophobicContact CG-CD1 3.96Å; P154-I157 HydrophobicContact CG-CG1 4.07Å; P154-I157 PolarHBondContact O-N 2.99Å; P154-V158 PolarHBondContact O-N 3.12Å; P154-V158 VanDerWaalsContact O-N 3.08Å; P154-F450 HydrophobicContact CG-CE1 4.35Å
155S89.2Confident93.4Very high75 Ų7546.9 Ų46.952%0.52425%0.25SC..THydrogen-bonded Turntrans-66.6-15.9-174.4-50.80000114.4I157 V158 H159S155-I157 VanDerWaalsContact C-N 3.3Å; S155-V158 CarbonylContact O-C 3.53Å; S155-H159 PolarHBondContact O-ND1 2.9Å
156D87.9Confident93.4Very high73 Ų7347.4 Ų47.439%0.3925%0.251SS..THydrogen-bonded Turntrans-74.5-21.1171.766.6-34.6000112.7P154 H159 S482 R485P154-D156 WeakPolarHBondContact CB-OD1 3.49Å; P154-D156 WeakPolarHBondContact CG-OD1 3.47Å; P154-D156 PolarHBondContact O-N 3.04Å; P154-D156 VanDerWaalsContact O-N 3.17Å; D156-H159 PolarHBondContact O-CE1 3.04Å; D156-S482 PolarHBondContact OD2-OG 2.7Å; D156-R485 IonicContact OD2-CZ 2.77Å; D156-R485 IonicContact OD2-NH1 3.16Å; D156-R485 PolarHBondContact OD2-NH1 3.09Å
157I90.5Very high93.5Very high47 Ų4746.7 Ų46.724%0.24125%0.248CC..THydrogen-bonded Turntrans-91.8-40.9170.7-59.8-178.3000110.7L153 P154 S155 F450 I696 I697L153-I157 HydrophobicContact CD1-CG2 4.04Å; P154-I157 HydrophobicContact CG-CD1 3.96Å; P154-I157 HydrophobicContact CG-CG1 4.07Å; P154-I157 PolarHBondContact O-N 2.99Å; S155-I157 VanDerWaalsContact C-N 3.3Å; I157-F450 HydrophobicContact CD1-CE1 4.41Å; I157-F450 HydrophobicContact CD1-CZ 4.39Å; I157-I696 HydrophobicContact CG2-CG2 3.67Å; I157-I697 HydrophobicContact CD1-CG2 4.17Å
158V92.2Very high93.6Very high6 Ų646.2 Ų46.24%0.03624%0.244CC..  trans-115.892.6-174.9-1730000110.1L150 L153 P154 S155 D160 K161L150-V158 HydrophobicContact CB-CG1 4.17Å; L150-V158 HydrophobicContact CB-CG2 4.23Å; L150-V158 HydrophobicContact CD1-CG1 4.46Å; L150-V158 HydrophobicContact CD2-CG1 4.39Å; L150-V158 HydrophobicContact CD2-CG2 3.73Å; L153-V158 HydrophobicContact CB-CG2 3.61Å; L153-V158 HydrophobicContact CD1-CG2 3.95Å; L153-V158 HydrophobicContact CG-CG2 4.4Å; P154-V158 PolarHBondContact O-N 3.12Å; P154-V158 VanDerWaalsContact O-N 3.08Å; S155-V158 CarbonylContact O-C 3.53Å; V158-D160 VanDerWaalsContact C-N 3.31Å; V158-D160 WeakPolarHBondContact CG1-OD1 3.36Å; V158-D160 PolarHBondContact O-N 2.82Å; V158-K161 HydrophobicContact CB-CB 4.23Å; V158-K161 HydrophobicContact CG1-CB 3.96Å; V158-K161 WeakPolarHBondContact O-CB 2.97Å; V158-K161 PolarHBondContact O-N 3.27Å
159H91.6Very high93.9Very high170 Ų17046.1 Ų46.179%0.78724%0.243SC*.THydrogen-bonded Turntrans-69-26.4-175.3-60.8-37.3000114S155 D156S155-H159 PolarHBondContact O-ND1 2.9Å; D156-H159 PolarHBondContact O-CE1 3.04Å
160D93.3Very high94Very high72 Ų7246.8 Ų46.839%0.38525%0.246SC..THydrogen-bonded Turntrans-97.516.3179.567.8-18.3000113.1V158 L162 S163 R164V158-D160 VanDerWaalsContact C-N 3.31Å; V158-D160 WeakPolarHBondContact CG1-OD1 3.36Å; V158-D160 PolarHBondContact O-N 2.82Å; D160-L162 VanDerWaalsContact C-N 3.3Å; D160-L162 PolarHBondContact O-N 3Å; D160-S163 WeakPolarHBondContact O-CB 3.49Å; D160-S163 PolarHBondContact O-N 3.13Å; D160-R164 VanDerWaalsContact CG-NE 3.27Å; D160-R164 PolarHBondContact O-N 3.18Å; D160-R164 IonicContact OD1-NE 2.99Å; D160-R164 PolarHBondContact OD1-NE 3.23Å; D160-R164 VanDerWaalsContact OD1-NE 3.14Å; D160-R164 IonicContact OD2-CZ 3.87Å; D160-R164 IonicContact OD2-NE 2.77Å; D160-R164 PolarHBondContact OD2-NE 2.99Å; D160-R164 IonicContact OD2-NH2 3.16Å; D160-R164 PolarHBondContact OD2-NH2 3.03Å; D160-R164 VanDerWaalsContact OD2-NH2 3.09Å
161K94.2Very high94.1Very high25 Ų2546.9 Ų46.911%0.10925%0.247CC..Hα-helixtrans-50.4-46.3-174.4-176.6171.8-175170.80113Y151 L153 V158 S163 R164 I165 S192Y151-K161 WeakPolarHBondContact O-CE 3.39Å; Y151-K161 PolarHBondContact O-NZ 3.23Å; L153-K161 PolarHBondContact O-NZ 2.84Å; V158-K161 HydrophobicContact CB-CB 4.23Å; V158-K161 HydrophobicContact CG1-CB 3.96Å; V158-K161 WeakPolarHBondContact O-CB 2.97Å; V158-K161 PolarHBondContact O-N 3.27Å; K161-S163 VanDerWaalsContact C-N 3.34Å; K161-S163 PolarHBondContact O-N 3.48Å; K161-R164 PolarHBondContact O-N 3.11Å; K161-I165 HydrophobicContact CG-CD1 4.06Å; K161-I165 HydrophobicContact CG-CG1 4.49Å; K161-I165 WeakPolarHBondContact O-CG1 3.43Å; K161-I165 PolarHBondContact O-N 2.95Å; K161-S192 VanDerWaalsContact CE-OG 3.31Å; K161-S192 WeakPolarHBondContact CE-OG 3.34Å; K161-S192 PolarHBondContact NZ-OG 2.82Å
162L94.5Very high94.2Very high99 Ų9946.6 Ų46.652%0.51825%0.245SC..Hα-helixtrans-63.3-39.3-178.5-175.162.6000112.6D160 R164 I165 D166 E195 L199D160-L162 VanDerWaalsContact C-N 3.3Å; D160-L162 PolarHBondContact O-N 3Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.37Å; L162-I165 PolarHBondContact O-N 3.44Å; L162-D166 PolarHBondContact O-N 3.17Å; L162-E195 HydrophobicContact CD1-CG 3.55Å; L162-E195 WeakPolarHBondContact CD1-OE1 3.4Å; L162-L199 HydrophobicContact CD1-CD1 4.11Å
163S94Very high94.3Very high68 Ų6845.5 Ų45.548%0.47624%0.241SC..Hα-helixtrans-61.6-41.1176.7-177.10000111.2D160 K161 D166 Q167D160-S163 WeakPolarHBondContact O-CB 3.49Å; D160-S163 PolarHBondContact O-N 3.13Å; K161-S163 VanDerWaalsContact C-N 3.34Å; K161-S163 PolarHBondContact O-N 3.48Å; S163-D166 PolarHBondContact O-N 3.19Å; S163-Q167 WeakPolarHBondContact O-CG 3.32Å; S163-Q167 PolarHBondContact O-N 3.2Å
164R94.3Very high94.4Very high45 Ų4545.7 Ų45.717%0.1724%0.242CC..Hα-helixtrans-68.1-38.1176.9-64.3177.2-179.4-96.74.7112.4E146 L150 D160 K161 L162 D166 Q167 I168E146-R164 IonicContact OE1-CZ 3.62Å; E146-R164 IonicContact OE1-NH1 3.88Å; E146-R164 PolarHBondContact OE1-NH1 3.33Å; E146-R164 IonicContact OE1-NH2 3.13Å; E146-R164 PolarHBondContact OE1-NH2 2.5Å; L150-R164 VanDerWaalsContact CD1-NH1 3.35Å; D160-R164 VanDerWaalsContact CG-NE 3.27Å; D160-R164 PolarHBondContact O-N 3.18Å; D160-R164 IonicContact OD1-NE 2.99Å; D160-R164 PolarHBondContact OD1-NE 3.23Å; D160-R164 VanDerWaalsContact OD1-NE 3.14Å; D160-R164 IonicContact OD2-CZ 3.87Å; D160-R164 IonicContact OD2-NE 2.77Å; D160-R164 PolarHBondContact OD2-NE 2.99Å; D160-R164 IonicContact OD2-NH2 3.16Å; D160-R164 PolarHBondContact OD2-NH2 3.03Å; D160-R164 VanDerWaalsContact OD2-NH2 3.09Å; K161-R164 PolarHBondContact O-N 3.11Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.37Å; R164-D166 VanDerWaalsContact C-N 3.33Å; R164-Q167 PolarHBondContact O-N 3.34Å; R164-I168 WeakPolarHBondContact O-CG1 3.43Å; R164-I168 PolarHBondContact O-N 3.03Å; R164-I168 VanDerWaalsContact O-N 3.14Å
165I97.3Very high94.7Very high7 Ų743.5 Ų43.54%0.03623%0.228CC..Hα-helixtrans-64.3-40.2173.2-62.9176.1000110.3Y151 K161 L162 Q167 I168 A169 L196 L199Y151-I165 HydrophobicContact CD2-CD1 4.37Å; Y151-I165 HydrophobicContact CD2-CG1 3.98Å; Y151-I165 HydrophobicContact CE2-CD1 4.06Å; Y151-I165 HydrophobicContact CE2-CG1 3.84Å; K161-I165 HydrophobicContact CG-CD1 4.06Å; K161-I165 HydrophobicContact CG-CG1 4.49Å; K161-I165 WeakPolarHBondContact O-CG1 3.43Å; K161-I165 PolarHBondContact O-N 2.95Å; L162-I165 PolarHBondContact O-N 3.44Å; I165-Q167 VanDerWaalsContact C-N 3.34Å; I165-Q167 PolarHBondContact O-N 3.44Å; I165-I168 PolarHBondContact O-N 3.28Å; I165-A169 WeakPolarHBondContact O-CB 3.2Å; I165-A169 PolarHBondContact O-N 3.25Å; I165-L196 HydrophobicContact CG2-CB 3.76Å; I165-L196 HydrophobicContact CG2-CD1 4.04Å; I165-L196 HydrophobicContact CG2-CG 4.48Å; I165-L199 HydrophobicContact CB-CD1 4.48Å; I165-L199 HydrophobicContact CG2-CD1 3.95Å
166D95.7Very high95.1Very high61 Ų6139.9 Ų39.933%0.32620%0.203SC..Hα-helixtrans-62.1-39.7176.3-171.374.2000112.6L162 S163 R164 A169 E170 L199 K203L162-D166 PolarHBondContact O-N 3.17Å; S163-D166 PolarHBondContact O-N 3.19Å; R164-D166 VanDerWaalsContact C-N 3.33Å; D166-A169 WeakPolarHBondContact O-CB 3.45Å; D166-A169 PolarHBondContact O-N 3.44Å; D166-E170 PolarHBondContact O-N 2.89Å; D166-L199 HydrophobicContact CB-CD1 4.1Å; D166-K203 WeakPolarHBondContact O-CE 3.06Å; D166-K203 WeakPolarHBondContact OD1-CE 3.34Å; D166-K203 IonicContact OD1-NZ 3.41Å; D166-K203 PolarHBondContact OD1-NZ 3.44Å; D166-K203 VanDerWaalsContact OD1-NZ 3.08Å; D166-K203 IonicContact OD2-NZ 3.24Å; D166-K203 PolarHBondContact OD2-NZ 3.34Å
167Q94.2Very high95.4Very high98 Ų9837 Ų3746%0.45819%0.188SC..Hα-helixtrans-60.9-47.5173.9-69.5170.22.500111.7S163 R164 I165 A169 E170 Q171S163-Q167 WeakPolarHBondContact O-CG 3.32Å; S163-Q167 PolarHBondContact O-N 3.2Å; R164-Q167 PolarHBondContact O-N 3.34Å; I165-Q167 VanDerWaalsContact C-N 3.34Å; I165-Q167 PolarHBondContact O-N 3.44Å; Q167-A169 VanDerWaalsContact C-N 3.25Å; Q167-A169 PolarHBondContact O-N 3.15Å; Q167-E170 PolarHBondContact O-N 2.7Å; Q167-Q171 WeakPolarHBondContact O-CG 3.35Å; Q167-Q171 PolarHBondContact O-N 3.1Å; Q167-Q171 VanDerWaalsContact O-N 3.13Å
168I97.9Very high95.6Very high1 Ų135.3 Ų35.31%0.00518%0.179CC..Hα-helixtrans-59.6-40.7175-66171.9000110.3L142 A144 Y151 R164 I165 E170 Q171 L172 L196 F616 T678L142-I168 HydrophobicContact CD1-CG2 3.96Å; A144-I168 HydrophobicContact CB-CG1 4.29Å; Y151-I168 HydrophobicContact CD2-CD1 4.47Å; R164-I168 WeakPolarHBondContact O-CG1 3.43Å; R164-I168 PolarHBondContact O-N 3.03Å; R164-I168 VanDerWaalsContact O-N 3.14Å; I165-I168 PolarHBondContact O-N 3.28Å; I168-E170 PolarHBondContact O-N 3.42Å; I168-Q171 PolarHBondContact O-N 3.14Å; I168-L172 VanDerWaalsContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CB 3.42Å; I168-L172 PolarHBondContact O-N 3.48Å; I168-L196 HydrophobicContact CB-CD1 4.22Å; I168-L196 HydrophobicContact CG2-CD1 3.8Å; I168-L196 HydrophobicContact CG2-CD2 4.17Å; I168-F616 HydrophobicContact CG2-CE1 3.64Å; I168-F616 HydrophobicContact CG2-CZ 3.61Å; I168-T678 HydrophobicContact CD1-CG2 4.27Å
169A98.1Very high95.6Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-63.2-40.3178.800000112.5I165 D166 Q167 A173 L196 L199 V200 K203I165-A169 WeakPolarHBondContact O-CB 3.2Å; I165-A169 PolarHBondContact O-N 3.25Å; D166-A169 WeakPolarHBondContact O-CB 3.45Å; D166-A169 PolarHBondContact O-N 3.44Å; Q167-A169 VanDerWaalsContact C-N 3.25Å; Q167-A169 PolarHBondContact O-N 3.15Å; A169-A173 VanDerWaalsContact O-CB 3.26Å; A169-A173 WeakPolarHBondContact O-CB 3.44Å; A169-A173 PolarHBondContact O-N 3.45Å; A169-L196 HydrophobicContact CB-CD1 3.83Å; A169-L199 HydrophobicContact CB-CB 3.58Å; A169-V200 HydrophobicContact CB-CG2 3.78Å; A169-K203 HydrophobicContact CB-CD 4.04Å
170E96.2Very high95.6Very high43 Ų4330.2 Ų30.220%0.20116%0.155CC..Hα-helixtrans-61.5-50.7176.1-172.771.5-159.200111.2D166 Q167 I168 L172 A173 S174 K203D166-E170 PolarHBondContact O-N 2.89Å; Q167-E170 PolarHBondContact O-N 2.7Å; I168-E170 PolarHBondContact O-N 3.42Å; E170-L172 PolarHBondContact O-N 2.93Å; E170-A173 PolarHBondContact O-N 2.94Å; E170-S174 PolarHBondContact O-N 2.66Å; E170-K203 HydrophobicContact CB-CD 4.12Å; E170-K203 VanDerWaalsContact OE2-CD 3.28Å; E170-K203 WeakPolarHBondContact OE2-CD 3.48Å; E170-K203 WeakPolarHBondContact OE2-CE 3.5Å; E170-K203 IonicContact OE2-NZ 2.92Å; E170-K203 PolarHBondContact OE2-NZ 3.23Å
171Q97.6Very high95.6Very high17 Ų1726.8 Ų26.88%0.07914%0.137CC..Hα-helixtrans-63.5-43178.9-64.6-173.2-82.400111.5R74 D131 L142 Q167 I168 S174 V175R74-Q171 VanDerWaalsContact NH2-NE2 3.19Å; D131-Q171 HydrophobicContact CB-CG 4.11Å; D131-Q171 WeakPolarHBondContact O-CB 3.47Å; D131-Q171 WeakPolarHBondContact O-CG 3.36Å; D131-Q171 PolarHBondContact O-NE2 3.1Å; L142-Q171 HydrophobicContact CB-CB 4.4Å; L142-Q171 HydrophobicContact CD1-CB 3.94Å; L142-Q171 HydrophobicContact CD2-CB 3.93Å; L142-Q171 HydrophobicContact CG-CB 4.29Å; L142-Q171 PolarHBondContact O-NE2 3.01Å; Q167-Q171 WeakPolarHBondContact O-CG 3.35Å; Q167-Q171 PolarHBondContact O-N 3.1Å; Q167-Q171 VanDerWaalsContact O-N 3.13Å; I168-Q171 PolarHBondContact O-N 3.14Å; Q171-S174 WeakPolarHBondContact O-CB 3.47Å; Q171-S174 PolarHBondContact O-N 2.87Å; Q171-S174 PolarHBondContact O-OG 2.91Å; Q171-V175 PolarHBondContact O-N 3.11Å
172L98.5Very high95.7Very high0 Ų028.4 Ų28.40%014%0.143CC..Hα-helixtrans-67-38.2178-177.657.3000112.7Y140 L142 I168 E170 S174 V175 C176 V200 L225 I227 F616Y140-L172 HydrophobicContact CE2-CD1 4.16Å; Y140-L172 WeakPolarHBondContact OH-CD1 3.37Å; L142-L172 HydrophobicContact CD1-CB 4.42Å; I168-L172 VanDerWaalsContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CB 3.42Å; I168-L172 PolarHBondContact O-N 3.48Å; E170-L172 PolarHBondContact O-N 2.93Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 3.43Å; L172-V175 WeakPolarHBondContact O-CB 3.49Å; L172-V175 PolarHBondContact O-N 2.82Å; L172-C176 PolarHBondContact O-N 3.06Å; L172-V200 HydrophobicContact CB-CG2 4.3Å; L172-V200 HydrophobicContact CD2-CG2 3.92Å; L172-V200 HydrophobicContact CG-CG2 4.31Å; L172-L225 HydrophobicContact CD1-CD1 4.24Å; L172-L225 HydrophobicContact CD2-CD1 4.41Å; L172-L225 HydrophobicContact CD2-CD2 4.18Å; L172-L225 HydrophobicContact CG-CD2 4.35Å; L172-I227 HydrophobicContact CD2-CD1 4.27Å; L172-I227 HydrophobicContact CD2-CG1 4.33Å; L172-F616 HydrophobicContact CD1-CB 3.92Å; L172-F616 HydrophobicContact CD1-CD1 4.46Å; L172-F616 HydrophobicContact CD1-CD2 3.79Å; L172-F616 HydrophobicContact CD1-CE2 4.45Å; L172-F616 HydrophobicContact CD1-CG 3.79Å; L172-F616 HydrophobicContact CD2-CB 3.95Å; L172-F616 HydrophobicContact CD2-CD1 3.5Å; L172-F616 HydrophobicContact CD2-CD2 4.31Å; L172-F616 HydrophobicContact CD2-CE1 4.03Å; L172-F616 HydrophobicContact CD2-CG 3.64Å; L172-F616 HydrophobicContact CG-CG 4.35Å
173A97.8Very high95.8Very high2 Ų223.8 Ų23.82%0.01712%0.119CC..Hα-helixtrans-61.3-38.3172.900000111A169 E170 V175 C176 I177 K203 L204A169-A173 VanDerWaalsContact O-CB 3.26Å; A169-A173 WeakPolarHBondContact O-CB 3.44Å; A169-A173 PolarHBondContact O-N 3.45Å; E170-A173 PolarHBondContact O-N 2.94Å; A173-V175 VanDerWaalsContact C-N 3.27Å; A173-V175 PolarHBondContact O-N 2.87Å; A173-C176 WeakPolarHBondContact O-CB 3.27Å; A173-C176 PolarHBondContact O-N 3.38Å; A173-C176 VanDerWaalsContact O-N 3.1Å; A173-I177 VanDerWaalsContact O-CG1 3.31Å; A173-I177 WeakPolarHBondContact O-CG1 3.23Å; A173-I177 PolarHBondContact O-N 3.06Å; A173-K203 HydrophobicContact CB-CB 3.86Å; A173-K203 HydrophobicContact CB-CD 4.47Å; A173-L204 HydrophobicContact CB-CD2 4.03Å; A173-L204 HydrophobicContact CB-CG 4.36Å
174S96.7Very high95.9Very high4 Ų426.3 Ų26.33%0.02812%0.121CC..Hα-helixtrans-62-31.2178870000113.4S129 D131 F132 E170 Q171 L172 T178S129-S174 WeakPolarHBondContact O-CB 3.39Å; D131-S174 PolarHBondContact N-OG 3.21Å; F132-S174 WeakPolarHBondContact CD1-OG 3.42Å; E170-S174 PolarHBondContact O-N 2.66Å; Q171-S174 WeakPolarHBondContact O-CB 3.47Å; Q171-S174 PolarHBondContact O-N 2.87Å; Q171-S174 PolarHBondContact O-OG 2.91Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 3.43Å; S174-T178 WeakPolarHBondContact O-CB 3.34Å; S174-T178 PolarHBondContact O-N 3.22Å; S174-T178 PolarHBondContact O-OG1 2.97Å
175V97.6Very high96.1Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-63-49.4170.9178.20000110.9F132 Y140 L142 Q171 L172 A173 I177 T178 L179F132-V175 HydrophobicContact CB-CG2 4.01Å; F132-V175 HydrophobicContact CD1-CB 4.37Å; F132-V175 HydrophobicContact CD1-CG2 3.53Å; F132-V175 HydrophobicContact CD2-CG2 3.96Å; F132-V175 HydrophobicContact CE1-CB 4.3Å; F132-V175 HydrophobicContact CE1-CG2 3.91Å; F132-V175 HydrophobicContact CE2-CG2 4.31Å; F132-V175 HydrophobicContact CG-CG2 3.54Å; F132-V175 HydrophobicContact CZ-CG2 4.28Å; Y140-V175 HydrophobicContact CD1-CG1 4.17Å; Y140-V175 HydrophobicContact CD2-CG1 4.42Å; Y140-V175 HydrophobicContact CD2-CG2 3.69Å; Y140-V175 HydrophobicContact CE1-CG1 4.05Å; Y140-V175 HydrophobicContact CE2-CG1 4.31Å; Y140-V175 HydrophobicContact CE2-CG2 3.76Å; Y140-V175 HydrophobicContact CG-CG1 4.35Å; Y140-V175 HydrophobicContact CG-CG2 4.24Å; L142-V175 HydrophobicContact CD2-CG2 4.26Å; Q171-V175 PolarHBondContact O-N 3.11Å; L172-V175 WeakPolarHBondContact O-CB 3.49Å; L172-V175 PolarHBondContact O-N 2.82Å; A173-V175 VanDerWaalsContact C-N 3.27Å; A173-V175 PolarHBondContact O-N 2.87Å; V175-I177 VanDerWaalsContact C-N 3.35Å; V175-I177 PolarHBondContact O-N 2.94Å; V175-T178 PolarHBondContact O-N 3.35Å; V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 3.35Å
176C96.5Very high96.1Very high0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-63.9-41.5179.8-60.60000111.4L172 A173 L179 Q180 E181 L204L172-C176 PolarHBondContact O-N 3.06Å; A173-C176 WeakPolarHBondContact O-CB 3.27Å; A173-C176 PolarHBondContact O-N 3.38Å; A173-C176 VanDerWaalsContact O-N 3.1Å; C176-L179 CarbonylContact O-C 3.52Å; C176-L179 PolarHBondContact O-N 2.91Å; C176-Q180 PolarHBondContact O-N 3.42Å; C176-Q180 VanDerWaalsContact O-N 3.07Å; C176-E181 PolarHBondContact O-N 2.83Å; C176-L204 HydrophobicContact CB-CD1 4.39Å; C176-L204 HydrophobicContact CB-CD2 3.76Å
177I94.9Very high96.3Very high13 Ų1322.6 Ų22.67%0.06710%0.103CC..Hα-helixtrans-60.5-46.1175.9-69.9161.7000110.7A173 V175 L179 Q180 L204 Y207A173-I177 VanDerWaalsContact O-CG1 3.31Å; A173-I177 WeakPolarHBondContact O-CG1 3.23Å; A173-I177 PolarHBondContact O-N 3.06Å; V175-I177 VanDerWaalsContact C-N 3.35Å; V175-I177 PolarHBondContact O-N 2.94Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.07Å; I177-Q180 WeakPolarHBondContact O-CA 3.32Å; I177-Q180 PolarHBondContact O-N 2.66Å; I177-Q180 PolarHBondContact O-NE2 3.15Å; I177-L204 HydrophobicContact CG1-CD2 4.2Å; I177-Y207 HydrophobicContact CD1-CD1 4.31Å; I177-Y207 HydrophobicContact CD1-CD2 3.53Å; I177-Y207 HydrophobicContact CD1-CE2 4.07Å; I177-Y207 HydrophobicContact CD1-CG 3.65Å; I177-Y207 HydrophobicContact CG1-CD1 3.94Å; I177-Y207 HydrophobicContact CG1-CD2 4.04Å; I177-Y207 HydrophobicContact CG1-CE1 4.26Å; I177-Y207 HydrophobicContact CG1-CE2 4.35Å; I177-Y207 HydrophobicContact CG1-CG 3.8Å; I177-Y207 HydrophobicContact CG2-CD1 4.26Å; I177-Y207 HydrophobicContact CG2-CD2 4.2Å; I177-Y207 HydrophobicContact CG2-CE1 3.71Å; I177-Y207 HydrophobicContact CG2-CE2 3.65Å; I177-Y207 HydrophobicContact CG2-CG 4.47Å
178T93.6Very high96.4Very high10 Ų1018.8 Ų18.86%0.0619%0.085CC..Hα-helixtrans-63.2-39.5179-60.60000111.5E6 V7 S129 F132 S174 V175 Q180E6-T178 HydrophobicContact CB-CG2 4.27Å; V7-T178 HydrophobicContact CG2-CG2 3.83Å; S129-T178 PolarHBondContact O-OG1 3.42Å; F132-T178 HydrophobicContact CZ-CG2 4.04Å; S174-T178 WeakPolarHBondContact O-CB 3.34Å; S174-T178 PolarHBondContact O-N 3.22Å; S174-T178 PolarHBondContact O-OG1 2.97Å; V175-T178 PolarHBondContact O-N 3.35Å; T178-Q180 PolarHBondContact O-N 2.99Å
179L92.6Very high96.3Very high5 Ų523.7 Ų23.73%0.02611%0.106CC..THydrogen-bonded Turntrans-74.7-2.9174.2-68.5171.9000113.8L3 V175 C176 I177 E181 K220 M605 I614 V674L3-L179 HydrophobicContact CD1-CD1 4.45Å; L3-L179 HydrophobicContact CD1-CD2 3.66Å; L3-L179 HydrophobicContact CD1-CG 3.96Å; V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 3.35Å; C176-L179 CarbonylContact O-C 3.52Å; C176-L179 PolarHBondContact O-N 2.91Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.07Å; L179-E181 HydrophobicContact CB-CB 4.45Å; L179-E181 HydrophobicContact CB-CG 3.81Å; L179-E181 PolarHBondContact O-N 3.25Å; L179-K220 PolarHBondContact O-NZ 2.76Å; L179-M605 HydrophobicContact CD2-SD 4.43Å; L179-I614 HydrophobicContact CD1-CD1 3.95Å; L179-I614 HydrophobicContact CD1-CG1 4.28Å; L179-V674 HydrophobicContact CD1-CG1 4.34Å; L179-V674 HydrophobicContact CD1-CG2 4.38Å
180Q92.4Very high96.1Very high65 Ų6525.7 Ų25.730%0.30412%0.119SC..THydrogen-bonded Turntrans55.736.3-173.1-61.5-67.5-52.200112.6C176 I177 T178 G215 K220C176-Q180 PolarHBondContact O-N 3.42Å; C176-Q180 VanDerWaalsContact O-N 3.07Å; I177-Q180 WeakPolarHBondContact O-CA 3.32Å; I177-Q180 PolarHBondContact O-N 2.66Å; I177-Q180 PolarHBondContact O-NE2 3.15Å; T178-Q180 PolarHBondContact O-N 2.99Å; Q180-G215 PolarHBondContact O-N 2.84Å; Q180-K220 WeakPolarHBondContact O-CD 3.49Å; Q180-K220 PolarHBondContact O-NZ 3.36Å
181E93.6Very high95.9Very high0 Ų031.8 Ų31.80%015%0.147CC..  trans-105.2143.6-178.3-64.9-61.514800111.5C176 L179 P183 K220 S223 R612 I614C176-E181 PolarHBondContact O-N 2.83Å; L179-E181 HydrophobicContact CB-CB 4.45Å; L179-E181 HydrophobicContact CB-CG 3.81Å; L179-E181 PolarHBondContact O-N 3.25Å; E181-P183 VanDerWaalsContact C-CD 3.47Å; E181-K220 IonicContact OE1-NZ 2.78Å; E181-K220 PolarHBondContact OE1-NZ 3.04Å; E181-S223 VanDerWaalsContact OE2-CB 3.27Å; E181-S223 WeakPolarHBondContact OE2-CB 3.47Å; E181-S223 PolarHBondContact OE2-OG 3.39Å; E181-R612 WeakPolarHBondContact OE1-CD 3.3Å; E181-R612 IonicContact OE1-NE 2.82Å; E181-R612 PolarHBondContact OE1-NE 3.07Å; E181-I614 HydrophobicContact CB-CD1 4.23Å; E181-I614 HydrophobicContact CG-CD1 4.29Å
182Y95.7Very high95.8Very high58 Ų5831.8 Ų31.823%0.22715%0.149CC..  trans-123.571.7167.4-174.6-101.9000108.7Q201 L204 D205 K208 L214Y182-Q201 PolarHBondContact OH-NE2 3.04Å; Y182-L204 HydrophobicContact CD2-CB 4.07Å; Y182-L204 HydrophobicContact CE2-CB 3.96Å; Y182-D205 WeakPolarHBondContact CE2-OD1 3.05Å; Y182-D205 PolarHBondContact OH-OD1 3.26Å; Y182-K208 HydrophobicContact CD1-CD 4.06Å; Y182-K208 HydrophobicContact CD2-CB 4.37Å; Y182-K208 HydrophobicContact CD2-CD 3.64Å; Y182-K208 HydrophobicContact CE1-CD 4.03Å; Y182-K208 HydrophobicContact CE2-CB 4.26Å; Y182-K208 HydrophobicContact CE2-CD 3.63Å; Y182-K208 HydrophobicContact CG-CD 3.85Å; Y182-L214 HydrophobicContact CD2-CD2 3.98Å
183P96.3Very high95.8Very high3 Ų331.8 Ų31.82%0.01915%0.149CC..  trans-76.2156.6-168.132.3-36.8000112.3E181 I185 S223 L225 I614E181-P183 VanDerWaalsContact C-CD 3.47Å; P183-I185 PolarHBondContact O-N 3.32Å; P183-S223 CarbonylContact C-O 3.55Å; P183-S223 VanDerWaalsContact CA-O 3.31Å; P183-S223 WeakPolarHBondContact CA-O 3.36Å; P183-L225 HydrophobicContact CB-CB 4.06Å; P183-L225 HydrophobicContact CG-CB 3.68Å; P183-I614 HydrophobicContact CG-CD1 4.39Å
184K96.6Very high95.8Very high121 Ų12133.7 Ų33.753%0.52616%0.159SC..EExtended strand (participates in β ladder)trans-71.3128.2165.4-59.3170.5-174.6164.60108.7S223 L224 L225K184-S223 PolarHBondContact N-O 3.28Å; K184-L224 HydrophobicContact CB-CD2 3.88Å; K184-L224 HydrophobicContact CD-CD2 4.42Å; K184-L224 WeakPolarHBondContact O-CA 3.23Å; K184-L225 PolarHBondContact O-N 3.09Å
185I98.3Very high95.8Very high2 Ų236.1 Ų36.11%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-90114.9-176.7-49.5-176.4000110.2P183 A197 V200 Q201 L204 L225 I227 F543 V544P183-I185 PolarHBondContact O-N 3.32Å; I185-A197 HydrophobicContact CG2-CB 3.74Å; I185-V200 HydrophobicContact CD1-CB 4.04Å; I185-V200 HydrophobicContact CD1-CG1 3.76Å; I185-Q201 HydrophobicContact CD1-CB 3.9Å; I185-L204 HydrophobicContact CD1-CD1 4.39Å; I185-L225 HydrophobicContact CD1-CD2 4.3Å; I185-L225 HydrophobicContact CG1-CB 4.4Å; I185-L225 HydrophobicContact CG1-CD2 4.18Å; I185-L225 HydrophobicContact CG2-CD2 4.24Å; I185-L225 HydrophobicContact CG2-CG 4.39Å; I185-I227 HydrophobicContact CG2-CD1 3.75Å; I185-I227 HydrophobicContact CG2-CG1 4.44Å; I185-F543 WeakPolarHBondContact O-CA 3.49Å; I185-V544 HydrophobicContact CB-CB 4.28Å; I185-V544 HydrophobicContact CB-CG2 4.02Å; I185-V544 HydrophobicContact CG2-CG2 4.1Å; I185-V544 PolarHBondContact O-N 3.36Å
186C97.9Very high95.8Very high3 Ų336.1 Ų36.12%0.0217%0.17CC..EExtended strand (participates in β ladder)trans-106.4139.2172.1-177.60000109.3L225 L226 I227 L536 G542 F543C186-L225 PolarHBondContact N-O 2.79Å; C186-L226 HydrophobicContact CB-CD1 4.39Å; C186-L226 CarbonylContact O-C 3.35Å; C186-L226 WeakPolarHBondContact O-CA 3.34Å; C186-I227 PolarHBondContact O-N 2.71Å; C186-L536 WeakPolarHBondContact SG-CD2 3.22Å; C186-G542 CarbonylContact C-O 3.5Å; C186-G542 VanDerWaalsContact CA-O 3.3Å; C186-G542 WeakPolarHBondContact CA-O 3.34Å; C186-F543 HydrophobicContact CB-CD1 3.91Å; C186-F543 HydrophobicContact CB-CE1 3.6Å; C186-F543 HydrophobicContact CB-CE2 4.49Å; C186-F543 HydrophobicContact CB-CZ 3.91Å
187Y98.4Very high95.9Very high29 Ų2936.1 Ų36.111%0.11417%0.17CC..EExtended strand (participates in β ladder)trans-139143.6-177.665.3-82.7000112K189 N193 L194 A197 I227 F541 G542 V544Y187-K189 HydrophobicContact CE2-CG 4.19Å; Y187-K189 PolarHBondContact O-N 2.81Å; Y187-N193 HydrophobicContact CD2-CB 4.31Å; Y187-L194 HydrophobicContact CD2-CB 4.23Å; Y187-L194 HydrophobicContact CE1-CD1 4.03Å; Y187-L194 HydrophobicContact CE2-CB 3.76Å; Y187-L194 HydrophobicContact CE2-CD1 4.07Å; Y187-L194 HydrophobicContact CE2-CG 4.43Å; Y187-A197 HydrophobicContact CD1-CB 4.01Å; Y187-A197 HydrophobicContact CG-CB 4.15Å; Y187-I227 CarbonylContact C-O 3.46Å; Y187-I227 VanDerWaalsContact CA-O 3.27Å; Y187-I227 WeakPolarHBondContact CA-O 3.33Å; Y187-F541 CarbonylContact O-C 3.51Å; Y187-F541 VanDerWaalsContact O-CA 3.26Å; Y187-F541 WeakPolarHBondContact O-CA 3.27Å; Y187-G542 VanDerWaalsContact CD1-O 3.24Å; Y187-G542 WeakPolarHBondContact CD1-O 3.49Å; Y187-G542 VanDerWaalsContact CE1-C 3.4Å; Y187-G542 WeakPolarHBondContact CE1-O 3.38Å; Y187-G542 PolarHBondContact N-O 3.39Å; Y187-G542 PolarHBondContact O-N 2.96Å; Y187-V544 HydrophobicContact CD1-CG2 4.15Å; Y187-V544 HydrophobicContact CE1-CG2 4.26Å
188Q97.2Very high96.1Very high18 Ų1841 Ų418%0.08419%0.187CC..EExtended strand (participates in β ladder)trans-62.1126.6164.3173.3-174.5-8.600108.4T190 N193 I227 V228 S231 F541Q188-T190 HydrophobicContact CG-CG2 4.45Å; Q188-T190 PolarHBondContact O-N 2.81Å; Q188-N193 WeakPolarHBondContact O-CB 3.47Å; Q188-N193 PolarHBondContact O-ND2 3.22Å; Q188-N193 VanDerWaalsContact O-ND2 3.11Å; Q188-I227 PolarHBondContact N-O 2.92Å; Q188-V228 HydrophobicContact CB-CG1 4.27Å; Q188-S231 PolarHBondContact NE2-OG 2.91Å; Q188-F541 HydrophobicContact CB-CD1 4.21Å; Q188-F541 HydrophobicContact CB-CE1 3.87Å
189K95.2Very high96.3Very high104 Ų10441.7 Ų41.745%0.45219%0.191SC..SBendtrans-67.593-175.3-69.5-171.2-165.9167.20111.9Y187 K538 S539 R540 F541Y187-K189 HydrophobicContact CE2-CG 4.19Å; Y187-K189 PolarHBondContact O-N 2.81Å; K189-K538 VanDerWaalsContact CE-O 3.32Å; K189-K538 WeakPolarHBondContact CE-O 3.4Å; K189-K538 PolarHBondContact NZ-O 3.44Å; K189-S539 WeakPolarHBondContact CD-O 3.38Å; K189-S539 WeakPolarHBondContact CE-O 3.34Å; K189-S539 PolarHBondContact NZ-O 2.77Å; K189-S539 VanDerWaalsContact NZ-O 3.08Å; K189-R540 WeakPolarHBondContact CB-O 3.42Å; K189-R540 WeakPolarHBondContact CG-O 3.42Å; K189-R540 PolarHBondContact N-O 3.16Å; K189-F541 WeakPolarHBondContact CE-O 3.36Å
190T93.5Very high96.6Very high42 Ų4241.5 Ų41.526%0.25819%0.189SC..  trans-133.8159.4161.967.50000107.7Q188 S192 N193 L194 D229Q188-T190 HydrophobicContact CG-CG2 4.45Å; Q188-T190 PolarHBondContact O-N 2.81Å; T190-S192 VanDerWaalsContact C-N 3.34Å; T190-S192 PolarHBondContact O-N 3.35Å; T190-N193 PolarHBondContact O-N 3.38Å; T190-N193 VanDerWaalsContact OG1-CB 3.25Å; T190-N193 WeakPolarHBondContact OG1-CB 3.13Å; T190-N193 PolarHBondContact OG1-N 3.19Å; T190-N193 PolarHBondContact OG1-ND2 2.51Å; T190-N193 VanDerWaalsContact OG1-ND2 3.09Å; T190-L194 WeakPolarHBondContact O-CB 3.47Å; T190-L194 PolarHBondContact O-N 2.93Å; T190-D229 WeakPolarHBondContact CG2-OD2 3.49Å; T190-D229 PolarHBondContact OG1-OD2 3.41Å
191E93Very high96.8Very high171 Ų17139 Ų3980%0.79918%0.178SC*.Hα-helixtrans-60-46.1179-175-178.817700111.1L194 E195E191-L194 PolarHBondContact O-N 2.79Å; E191-E195 PolarHBondContact O-N 2.71Å; E191-E195 VanDerWaalsContact O-N 3.08Å
192S96Very high97Very high17 Ų1740.9 Ų40.912%0.11919%0.189CC..Hα-helixtrans-67.3-39.7-179.1-55.10000112.6Y151 K161 T190 L194 E195 L196Y151-S192 VanDerWaalsContact CZ-CB 3.44Å; Y151-S192 PolarHBondContact OH-O 3.46Å; Y151-S192 VanDerWaalsContact OH-O 3.07Å; K161-S192 VanDerWaalsContact CE-OG 3.31Å; K161-S192 WeakPolarHBondContact CE-OG 3.34Å; K161-S192 PolarHBondContact NZ-OG 2.82Å; T190-S192 VanDerWaalsContact C-N 3.34Å; T190-S192 PolarHBondContact O-N 3.35Å; S192-L194 PolarHBondContact O-N 2.77Å; S192-E195 PolarHBondContact O-N 2.96Å; S192-L196 WeakPolarHBondContact O-CB 3.45Å; S192-L196 PolarHBondContact O-N 3.36Å
193N97.7Very high97Very high0 Ų039.7 Ų39.70%019%0.185CC..Hα-helixtrans-68.1-35.6177.1-69.2-12.7000112.5Y151 Y187 Q188 T190 E195 A197 I227 D229Y151-N193 WeakPolarHBondContact CE1-OD1 3.45Å; Y151-N193 VanDerWaalsContact OH-CA 3.22Å; Y151-N193 WeakPolarHBondContact OH-CA 3.5Å; Y151-N193 PolarHBondContact OH-N 3.25Å; Y151-N193 VanDerWaalsContact OH-N 3.11Å; Y151-N193 PolarHBondContact OH-OD1 2.82Å; Y187-N193 HydrophobicContact CD2-CB 4.31Å; Q188-N193 WeakPolarHBondContact O-CB 3.47Å; Q188-N193 PolarHBondContact O-ND2 3.22Å; Q188-N193 VanDerWaalsContact O-ND2 3.11Å; T190-N193 PolarHBondContact O-N 3.38Å; T190-N193 VanDerWaalsContact OG1-CB 3.25Å; T190-N193 WeakPolarHBondContact OG1-CB 3.13Å; T190-N193 PolarHBondContact OG1-N 3.19Å; T190-N193 PolarHBondContact OG1-ND2 2.51Å; T190-N193 VanDerWaalsContact OG1-ND2 3.09Å; N193-E195 VanDerWaalsContact C-N 3.33Å; N193-A197 WeakPolarHBondContact O-CB 3.42Å; N193-A197 PolarHBondContact O-N 3.26Å; N193-I227 HydrophobicContact CB-CG2 4.28Å; N193-D229 PolarHBondContact ND2-OD2 3.2Å; N193-D229 PolarHBondContact OD1-OD2 3.06Å
194L97.3Very high97Very high42 Ų4239.5 Ų39.522%0.2218%0.184CC..Hα-helixtrans-62.2-44.2172.9171.657.2000110.7Y187 T190 E191 S192 A197 R198Y187-L194 HydrophobicContact CD2-CB 4.23Å; Y187-L194 HydrophobicContact CE1-CD1 4.03Å; Y187-L194 HydrophobicContact CE2-CB 3.76Å; Y187-L194 HydrophobicContact CE2-CD1 4.07Å; Y187-L194 HydrophobicContact CE2-CG 4.43Å; T190-L194 WeakPolarHBondContact O-CB 3.47Å; T190-L194 PolarHBondContact O-N 2.93Å; E191-L194 PolarHBondContact O-N 2.79Å; S192-L194 PolarHBondContact O-N 2.77Å; L194-A197 PolarHBondContact O-N 2.86Å; L194-R198 HydrophobicContact CD1-CG 4.16Å; L194-R198 WeakPolarHBondContact O-CG 3.39Å; L194-R198 PolarHBondContact O-N 2.82Å
195E97.2Very high97Very high55 Ų5535.2 Ų35.226%0.25717%0.167SC..Hα-helixtrans-64.4-47.1179-166.458-158.100111.7L162 E191 S192 N193 A197 R198 L199L162-E195 HydrophobicContact CD1-CG 3.55Å; L162-E195 WeakPolarHBondContact CD1-OE1 3.4Å; E191-E195 PolarHBondContact O-N 2.71Å; E191-E195 VanDerWaalsContact O-N 3.08Å; S192-E195 PolarHBondContact O-N 2.96Å; N193-E195 VanDerWaalsContact C-N 3.33Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 2.84Å; E195-R198 PolarHBondContact O-N 3.43Å; E195-R198 IonicContact OE2-NH1 3.01Å; E195-L199 HydrophobicContact CG-CD1 4.39Å; E195-L199 WeakPolarHBondContact O-CG 3.31Å; E195-L199 PolarHBondContact O-N 3Å
196L98.5Very high96.8Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-55.5-48.9173.2177.357.4000111.5I165 I168 A169 S192 R198 L199 V200 I227 F616 V618I165-L196 HydrophobicContact CG2-CB 3.76Å; I165-L196 HydrophobicContact CG2-CD1 4.04Å; I165-L196 HydrophobicContact CG2-CG 4.48Å; I168-L196 HydrophobicContact CB-CD1 4.22Å; I168-L196 HydrophobicContact CG2-CD1 3.8Å; I168-L196 HydrophobicContact CG2-CD2 4.17Å; A169-L196 HydrophobicContact CB-CD1 3.83Å; S192-L196 WeakPolarHBondContact O-CB 3.45Å; S192-L196 PolarHBondContact O-N 3.36Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.31Å; L196-L199 PolarHBondContact O-N 3.28Å; L196-V200 HydrophobicContact CD1-CG2 3.99Å; L196-V200 HydrophobicContact CG-CG2 4.4Å; L196-V200 WeakPolarHBondContact O-CG2 3.35Å; L196-V200 PolarHBondContact O-N 3.38Å; L196-I227 HydrophobicContact CD2-CG2 3.85Å; L196-I227 HydrophobicContact CG-CD1 4.27Å; L196-F616 HydrophobicContact CD2-CD1 4.1Å; L196-F616 HydrophobicContact CD2-CE1 3.81Å; L196-V618 HydrophobicContact CD2-CG2 3.72Å
197A98.6Very high96.6Very high0 Ų041.1 Ų41.10%020%0.197CC..Hα-helixtrans-60.6-39-179.200000112.4I185 Y187 N193 L194 E195 Q201 I227 V544I185-A197 HydrophobicContact CG2-CB 3.74Å; Y187-A197 HydrophobicContact CD1-CB 4.01Å; Y187-A197 HydrophobicContact CG-CB 4.15Å; N193-A197 WeakPolarHBondContact O-CB 3.42Å; N193-A197 PolarHBondContact O-N 3.26Å; L194-A197 PolarHBondContact O-N 2.86Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 2.84Å; A197-Q201 PolarHBondContact O-N 3.46Å; A197-I227 HydrophobicContact CB-CD1 3.85Å; A197-V544 HydrophobicContact CB-CG2 3.47Å; A197-V544 VanDerWaalsContact CB-CG2 3.47Å
198R98.2Very high96.4Very high116 Ų11642.9 Ų42.944%0.43821%0.205SC..Hα-helixtrans-66.8-46.1175.4-75.8173.1173.9165.6-0.8112.2L194 E195 L196 V200 Q201 V202L194-R198 HydrophobicContact CD1-CG 4.16Å; L194-R198 WeakPolarHBondContact O-CG 3.39Å; L194-R198 PolarHBondContact O-N 2.82Å; E195-R198 PolarHBondContact O-N 3.43Å; E195-R198 IonicContact OE2-NH1 3.01Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.31Å; R198-V200 VanDerWaalsContact C-N 3.33Å; R198-V200 PolarHBondContact O-N 2.85Å; R198-Q201 WeakPolarHBondContact O-CB 3.49Å; R198-Q201 PolarHBondContact O-N 3.2Å; R198-V202 WeakPolarHBondContact O-CG2 3.3Å; R198-V202 PolarHBondContact O-N 2.95Å
199L97.9Very high96.3Very high25 Ų2546 Ų4613%0.13123%0.229CC..Hα-helixtrans-63.7-41.1179.3-68.4174.7000111.3L162 I165 D166 A169 E195 L196 Q201 V202 K203L162-L199 HydrophobicContact CD1-CD1 4.11Å; I165-L199 HydrophobicContact CB-CD1 4.48Å; I165-L199 HydrophobicContact CG2-CD1 3.95Å; D166-L199 HydrophobicContact CB-CD1 4.1Å; A169-L199 HydrophobicContact CB-CB 3.58Å; E195-L199 HydrophobicContact CG-CD1 4.39Å; E195-L199 WeakPolarHBondContact O-CG 3.31Å; E195-L199 PolarHBondContact O-N 3Å; L196-L199 PolarHBondContact O-N 3.28Å; L199-Q201 VanDerWaalsContact C-N 3.34Å; L199-Q201 PolarHBondContact O-N 3.05Å; L199-V202 PolarHBondContact O-N 2.92Å; L199-K203 WeakPolarHBondContact O-CG 3.17Å; L199-K203 PolarHBondContact O-N 3.42Å; L199-K203 VanDerWaalsContact O-N 3.07Å
200V98.3Very high96.1Very high0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-60.4-45173.6176.80000110.7A169 L172 I185 L196 R198 V202 K203 L204 L225A169-V200 HydrophobicContact CB-CG2 3.78Å; L172-V200 HydrophobicContact CB-CG2 4.3Å; L172-V200 HydrophobicContact CD2-CG2 3.92Å; L172-V200 HydrophobicContact CG-CG2 4.31Å; I185-V200 HydrophobicContact CD1-CB 4.04Å; I185-V200 HydrophobicContact CD1-CG1 3.76Å; L196-V200 HydrophobicContact CD1-CG2 3.99Å; L196-V200 HydrophobicContact CG-CG2 4.4Å; L196-V200 WeakPolarHBondContact O-CG2 3.35Å; L196-V200 PolarHBondContact O-N 3.38Å; R198-V200 VanDerWaalsContact C-N 3.33Å; R198-V200 PolarHBondContact O-N 2.85Å; V200-V202 PolarHBondContact O-N 3.46Å; V200-K203 PolarHBondContact O-N 3.05Å; V200-L204 HydrophobicContact CG1-CD1 4.02Å; V200-L204 HydrophobicContact CG1-CG 4.29Å; V200-L204 WeakPolarHBondContact O-CG 3.45Å; V200-L204 PolarHBondContact O-N 3.46Å; V200-L225 HydrophobicContact CG1-CD2 3.81Å
201Q98Very high96.1Very high14 Ų1447.5 Ų47.57%0.06524%0.24CC..Hα-helixtrans-56.9-48.2177-172.765.565.800111.6Y182 I185 A197 R198 L199 K203 L204 D205 V544Y182-Q201 PolarHBondContact OH-NE2 3.04Å; I185-Q201 HydrophobicContact CD1-CB 3.9Å; A197-Q201 PolarHBondContact O-N 3.46Å; R198-Q201 WeakPolarHBondContact O-CB 3.49Å; R198-Q201 PolarHBondContact O-N 3.2Å; L199-Q201 VanDerWaalsContact C-N 3.34Å; L199-Q201 PolarHBondContact O-N 3.05Å; Q201-K203 VanDerWaalsContact C-N 3.31Å; Q201-K203 PolarHBondContact O-N 2.83Å; Q201-L204 PolarHBondContact O-N 2.96Å; Q201-D205 PolarHBondContact NE2-OD1 3.26Å; Q201-D205 WeakPolarHBondContact O-CB 3.43Å; Q201-D205 PolarHBondContact O-N 3.05Å; Q201-V544 HydrophobicContact CB-CG1 4.05Å; Q201-V544 HydrophobicContact CG-CG1 4.01Å
202V97Very high96.1Very high39 Ų3943.3 Ų43.324%0.23623%0.228CC..Hα-helixtrans-59.5-42.5179.6170.30000111.5R198 L199 V200 D205 T206 V552R198-V202 WeakPolarHBondContact O-CG2 3.3Å; R198-V202 PolarHBondContact O-N 2.95Å; L199-V202 PolarHBondContact O-N 2.92Å; V200-V202 PolarHBondContact O-N 3.46Å; V202-D205 PolarHBondContact O-N 3.5Å; V202-T206 WeakPolarHBondContact O-CB 3.34Å; V202-T206 PolarHBondContact O-N 2.98Å; V202-T206 PolarHBondContact O-OG1 3.23Å; V202-V552 HydrophobicContact CG2-CG1 4.29Å; V202-V552 HydrophobicContact CG2-CG2 4.15Å
203K95.6Very high95.8Very high32 Ų3247.5 Ų47.514%0.13925%0.248CC..Hα-helixtrans-67.7-41.5179.5-67175.9-173.9-70.10111.7D166 A169 E170 A173 L199 V200 Q201 T206 Y207D166-K203 WeakPolarHBondContact O-CE 3.06Å; D166-K203 WeakPolarHBondContact OD1-CE 3.34Å; D166-K203 IonicContact OD1-NZ 3.41Å; D166-K203 PolarHBondContact OD1-NZ 3.44Å; D166-K203 VanDerWaalsContact OD1-NZ 3.08Å; D166-K203 IonicContact OD2-NZ 3.24Å; D166-K203 PolarHBondContact OD2-NZ 3.34Å; A169-K203 HydrophobicContact CB-CD 4.04Å; E170-K203 HydrophobicContact CB-CD 4.12Å; E170-K203 VanDerWaalsContact OE2-CD 3.28Å; E170-K203 WeakPolarHBondContact OE2-CD 3.48Å; E170-K203 WeakPolarHBondContact OE2-CE 3.5Å; E170-K203 IonicContact OE2-NZ 2.92Å; E170-K203 PolarHBondContact OE2-NZ 3.23Å; A173-K203 HydrophobicContact CB-CB 3.86Å; A173-K203 HydrophobicContact CB-CD 4.47Å; L199-K203 WeakPolarHBondContact O-CG 3.17Å; L199-K203 PolarHBondContact O-N 3.42Å; L199-K203 VanDerWaalsContact O-N 3.07Å; V200-K203 PolarHBondContact O-N 3.05Å; Q201-K203 VanDerWaalsContact C-N 3.31Å; Q201-K203 PolarHBondContact O-N 2.83Å; K203-T206 PolarHBondContact O-N 3.36Å; K203-Y207 PolarHBondContact O-N 3.46Å
204L96.5Very high95.5Very high0 Ų047.5 Ų47.50%025%0.248CC..Hα-helixtrans-65.7-39.6174-66.8179.4000112.7A173 C176 I177 Y182 I185 V200 Q201 T206 Y207 K208A173-L204 HydrophobicContact CB-CD2 4.03Å; A173-L204 HydrophobicContact CB-CG 4.36Å; C176-L204 HydrophobicContact CB-CD1 4.39Å; C176-L204 HydrophobicContact CB-CD2 3.76Å; I177-L204 HydrophobicContact CG1-CD2 4.2Å; Y182-L204 HydrophobicContact CD2-CB 4.07Å; Y182-L204 HydrophobicContact CE2-CB 3.96Å; I185-L204 HydrophobicContact CD1-CD1 4.39Å; V200-L204 HydrophobicContact CG1-CD1 4.02Å; V200-L204 HydrophobicContact CG1-CG 4.29Å; V200-L204 WeakPolarHBondContact O-CG 3.45Å; V200-L204 PolarHBondContact O-N 3.46Å; Q201-L204 PolarHBondContact O-N 2.96Å; L204-T206 VanDerWaalsContact C-N 3.33Å; L204-Y207 PolarHBondContact O-N 3.33Å; L204-K208 VanDerWaalsContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CB 3.43Å; L204-K208 PolarHBondContact O-N 3.23Å
205D96.2Very high95.2Very high31 Ų3146.2 Ų46.217%0.16625%0.245CC..Hα-helixtrans-61.9-43.3176.2-69.5-10.2000111.1Y182 Q201 V202 K208 S209Y182-D205 WeakPolarHBondContact CE2-OD1 3.05Å; Y182-D205 PolarHBondContact OH-OD1 3.26Å; Q201-D205 PolarHBondContact NE2-OD1 3.26Å; Q201-D205 WeakPolarHBondContact O-CB 3.43Å; Q201-D205 PolarHBondContact O-N 3.05Å; V202-D205 PolarHBondContact O-N 3.5Å; D205-K208 PolarHBondContact O-N 2.98Å; D205-S209 PolarHBondContact O-N 2.9Å
206T94.6Very high94.6Very high70 Ų7049.5 Ų49.543%0.42926%0.26SS..Hα-helixtrans-63.3-45.1176.5-55.20000111.1V202 K203 L204 K208 S209V202-T206 WeakPolarHBondContact O-CB 3.34Å; V202-T206 PolarHBondContact O-N 2.98Å; V202-T206 PolarHBondContact O-OG1 3.23Å; K203-T206 PolarHBondContact O-N 3.36Å; L204-T206 VanDerWaalsContact C-N 3.33Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.39Å; T206-S209 PolarHBondContact O-N 3.26Å; T206-S209 PolarHBondContact O-OG 3.11Å
207Y93.6Very high93.8Very high59 Ų5951.9 Ų51.923%0.23129%0.285CS..Hα-helixtrans-66.2-38.8177.2-167.9-84.5000112.2I177 K203 L204 S209 D210 N211 L214I177-Y207 HydrophobicContact CD1-CD1 4.31Å; I177-Y207 HydrophobicContact CD1-CD2 3.53Å; I177-Y207 HydrophobicContact CD1-CE2 4.07Å; I177-Y207 HydrophobicContact CD1-CG 3.65Å; I177-Y207 HydrophobicContact CG1-CD1 3.94Å; I177-Y207 HydrophobicContact CG1-CD2 4.04Å; I177-Y207 HydrophobicContact CG1-CE1 4.26Å; I177-Y207 HydrophobicContact CG1-CE2 4.35Å; I177-Y207 HydrophobicContact CG1-CG 3.8Å; I177-Y207 HydrophobicContact CG2-CD1 4.26Å; I177-Y207 HydrophobicContact CG2-CD2 4.2Å; I177-Y207 HydrophobicContact CG2-CE1 3.71Å; I177-Y207 HydrophobicContact CG2-CE2 3.65Å; I177-Y207 HydrophobicContact CG2-CG 4.47Å; K203-Y207 PolarHBondContact O-N 3.46Å; L204-Y207 PolarHBondContact O-N 3.33Å; Y207-S209 VanDerWaalsContact C-N 3.34Å; Y207-S209 PolarHBondContact O-N 3.08Å; Y207-D210 PolarHBondContact O-N 3.07Å; Y207-N211 HydrophobicContact CD1-CB 3.98Å; Y207-N211 HydrophobicContact CE1-CB 3.65Å; Y207-N211 WeakPolarHBondContact CE1-ND2 3.35Å; Y207-N211 WeakPolarHBondContact O-CB 3.22Å; Y207-N211 PolarHBondContact O-N 3.4Å; Y207-N211 PolarHBondContact O-ND2 3.02Å; Y207-L214 HydrophobicContact CD1-CD1 4.48Å; Y207-L214 HydrophobicContact CD1-CD2 4.03Å
208K94.8Very high92.9Very high65 Ų6555.9 Ų55.928%0.28331%0.313SS..Hα-helixtrans-66.7-33.2179.7-173.3167.7-168.1163.30112.8Y182 L204 D205 T206 D210 N211 L214Y182-K208 HydrophobicContact CD1-CD 4.06Å; Y182-K208 HydrophobicContact CD2-CB 4.37Å; Y182-K208 HydrophobicContact CD2-CD 3.64Å; Y182-K208 HydrophobicContact CE1-CD 4.03Å; Y182-K208 HydrophobicContact CE2-CB 4.26Å; Y182-K208 HydrophobicContact CE2-CD 3.63Å; Y182-K208 HydrophobicContact CG-CD 3.85Å; L204-K208 VanDerWaalsContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CB 3.43Å; L204-K208 PolarHBondContact O-N 3.23Å; D205-K208 PolarHBondContact O-N 2.98Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.39Å; K208-D210 PolarHBondContact O-N 3.37Å; K208-N211 CarbonylContact O-C 3.53Å; K208-N211 PolarHBondContact O-N 2.89Å; K208-L214 HydrophobicContact CB-CD2 4.22Å; K208-L214 WeakPolarHBondContact CE-O 3.48Å; K208-L214 HydrophobicContact CG-CB 4.44Å
209S94.7Very high92.3Very high83 Ų8354 Ų5458%0.5831%0.309SS*.Hα-helixtrans-62.3-35.1175.462.10000112D205 T206 Y207D205-S209 PolarHBondContact O-N 2.9Å; T206-S209 PolarHBondContact O-N 3.26Å; T206-S209 PolarHBondContact O-OG 3.11Å; Y207-S209 VanDerWaalsContact C-N 3.34Å; Y207-S209 PolarHBondContact O-N 3.08Å
210D91.9Very high91.8Very high121 Ų12154.1 Ų54.165%0.64731%0.308SS*.Hα-helixtrans-86.2-24.9178.6-63.3-12.8000112.2Y207 K208Y207-D210 PolarHBondContact O-N 3.07Å; K208-D210 PolarHBondContact O-N 3.37Å
211N91.8Very high91.3Very high57 Ų5759 Ų5931%0.30533%0.334SS..  trans-130.681.1-177.8-59.9-84.8000111.3Y207 K208 I213 L214Y207-N211 HydrophobicContact CD1-CB 3.98Å; Y207-N211 HydrophobicContact CE1-CB 3.65Å; Y207-N211 WeakPolarHBondContact CE1-ND2 3.35Å; Y207-N211 WeakPolarHBondContact O-CB 3.22Å; Y207-N211 PolarHBondContact O-N 3.4Å; Y207-N211 PolarHBondContact O-ND2 3.02Å; K208-N211 CarbonylContact O-C 3.53Å; K208-N211 PolarHBondContact O-N 2.89Å; N211-I213 PolarHBondContact O-N 2.96Å; N211-L214 WeakPolarHBondContact O-CB 3.39Å; N211-L214 PolarHBondContact O-N 2.63Å
212P93.1Very high90.9Very high83 Ų8361.8 Ų61.854%0.53935%0.347SS..THydrogen-bonded Turntrans-61.1-17.3-174.1-26.635.6000115.4L214 Q216P212-L214 PolarHBondContact O-N 3.31Å; P212-Q216 PolarHBondContact O-NE2 3.27Å
213I90.9Very high90.8Very high105 Ų10560 Ų6054%0.53834%0.336SS..THydrogen-bonded Turntrans-73.3-12.5177.262.6169.6000113.4N211 G215 Q216N211-I213 PolarHBondContact O-N 2.96Å; I213-G215 PolarHBondContact O-N 3.22Å; I213-Q216 VanDerWaalsContact O-CB 3.28Å; I213-Q216 WeakPolarHBondContact O-CB 3.45Å; I213-Q216 PolarHBondContact O-N 3.05Å
214L91.5Very high90.9Very high0 Ų059.3 Ų59.30%033%0.334CS..THydrogen-bonded Turntrans-61.2123.5-179-173.573.8000111.1Y182 Y207 K208 N211 P212 Q216Y182-L214 HydrophobicContact CD2-CD2 3.98Å; Y207-L214 HydrophobicContact CD1-CD1 4.48Å; Y207-L214 HydrophobicContact CD1-CD2 4.03Å; K208-L214 HydrophobicContact CB-CD2 4.22Å; K208-L214 WeakPolarHBondContact CE-O 3.48Å; K208-L214 HydrophobicContact CG-CB 4.44Å; N211-L214 WeakPolarHBondContact O-CB 3.39Å; N211-L214 PolarHBondContact O-N 2.63Å; P212-L214 PolarHBondContact O-N 3.31Å; L214-Q216 VanDerWaalsContact C-N 3.27Å; L214-Q216 PolarHBondContact O-N 3.48Å
215G89.9Confident91Very high15 Ų1559.3 Ų59.316%0.15533%0.334CS..THydrogen-bonded Turntrans7412.6-175.500000114.4Q180 I213 K220Q180-G215 PolarHBondContact O-N 2.84Å; I213-G215 PolarHBondContact O-N 3.22Å; G215-K220 WeakPolarHBondContact O-CB 3.31Å
216Q85.4Confident91.1Very high125 Ų12557.9 Ų57.958%0.58433%0.327SS*.  trans-86.1136.7168-62.6-170.611.500110.5P212 I213 L214 K220P212-Q216 PolarHBondContact O-NE2 3.27Å; I213-Q216 VanDerWaalsContact O-CB 3.28Å; I213-Q216 WeakPolarHBondContact O-CB 3.45Å; I213-Q216 PolarHBondContact O-N 3.05Å; L214-Q216 VanDerWaalsContact C-N 3.27Å; L214-Q216 PolarHBondContact O-N 3.48Å; Q216-K220 WeakPolarHBondContact O-CD 3.31Å
217G81.5Confident91.3Very high50 Ų5054.6 Ų54.652%0.51531%0.306SS..SBendtrans139.2166-178.700000111H219 K220G217-H219 PolarHBondContact O-N 2.88Å; G217-K220 PolarHBondContact O-N 3.44Å
218S80Confident91.5Very high83 Ų8351.8 Ų51.858%0.5830%0.295SS*.THydrogen-bonded Turntrans-55.4124.3179.1-58.50000110.6K220S218-K220 PolarHBondContact O-N 3.36Å; S218-K220 VanDerWaalsContact O-N 3.11Å
219H84.4Confident91.6Very high78 Ų7848.9 Ų48.936%0.36128%0.283SS..THydrogen-bonded Turntrans66.6-1174.2-52.1-78.7000117.6G217 D221 Q222 C609 G610 P611G217-H219 PolarHBondContact O-N 2.88Å; H219-D221 WeakPolarHBondContact CA-OD1 3.15Å; H219-D221 PolarHBondContact O-N 3.16Å; H219-Q222 WeakPolarHBondContact O-CB 3.36Å; H219-Q222 PolarHBondContact O-N 3.05Å; H219-C609 VanDerWaalsContact CD2-C 3.42Å; H219-C609 PolarHBondContact CD2-O 3.23Å; H219-C609 PolarHBondContact NE2-O 3.04Å; H219-G610 WeakPolarHBondContact CB-O 3.47Å; H219-P611 HydrophobicContact CB-CB 4.47Å
220K88Confident91.7Very high26 Ų2645 Ų4511%0.11326%0.255CS..G310 helixtrans-65.5-22.9178.6-68.3-164.4177.4-110.90113.8L179 Q180 E181 G215 Q216 G217 S218 Q222 S223L179-K220 PolarHBondContact O-NZ 2.76Å; Q180-K220 WeakPolarHBondContact O-CD 3.49Å; Q180-K220 PolarHBondContact O-NZ 3.36Å; E181-K220 IonicContact OE1-NZ 2.78Å; E181-K220 PolarHBondContact OE1-NZ 3.04Å; G215-K220 WeakPolarHBondContact O-CB 3.31Å; Q216-K220 WeakPolarHBondContact O-CD 3.31Å; G217-K220 PolarHBondContact O-N 3.44Å; S218-K220 PolarHBondContact O-N 3.36Å; S218-K220 VanDerWaalsContact O-N 3.11Å; K220-Q222 PolarHBondContact O-N 3.39Å; K220-S223 WeakPolarHBondContact O-CB 3.23Å; K220-S223 PolarHBondContact O-N 2.99Å; K220-S223 PolarHBondContact O-OG 2.82Å
221D87.1Confident91.9Very high103 Ų10339.6 Ų39.655%0.55123%0.227SC*.G310 helixtrans-66.5-16.5173.666-57.2000113.4H219H219-D221 WeakPolarHBondContact CA-OD1 3.15Å; H219-D221 PolarHBondContact O-N 3.16Å
222Q90.9Very high92Very high73 Ų7336.9 Ų36.934%0.34121%0.212SC..G310 helixtrans-99.5-7.8178.4-62.7173.721.600112.8H219 K220 P611 W671H219-Q222 WeakPolarHBondContact O-CB 3.36Å; H219-Q222 PolarHBondContact O-N 3.05Å; K220-Q222 PolarHBondContact O-N 3.39Å; Q222-P611 HydrophobicContact CB-CB 3.79Å; Q222-P611 HydrophobicContact CB-CG 4.44Å; Q222-W671 VanDerWaalsContact O-CH2 3.25Å; Q222-W671 WeakPolarHBondContact O-CH2 3.28Å
223S94.4Very high92.2Very high0 Ų032.9 Ų32.90%019%0.187CC..  trans-59.1144.2179.3-65.30000112.1E181 P183 K184 K220 R612E181-S223 VanDerWaalsContact OE2-CB 3.27Å; E181-S223 WeakPolarHBondContact OE2-CB 3.47Å; E181-S223 PolarHBondContact OE2-OG 3.39Å; P183-S223 CarbonylContact C-O 3.55Å; P183-S223 VanDerWaalsContact CA-O 3.31Å; P183-S223 WeakPolarHBondContact CA-O 3.36Å; K184-S223 PolarHBondContact N-O 3.28Å; K220-S223 WeakPolarHBondContact O-CB 3.23Å; K220-S223 PolarHBondContact O-N 2.99Å; K220-S223 PolarHBondContact O-OG 2.82Å; S223-R612 CarbonylContact C-O 3.37Å; S223-R612 VanDerWaalsContact CA-O 3.23Å; S223-R612 WeakPolarHBondContact CA-O 3.38Å; S223-R612 PolarHBondContact OG-N 2.89Å; S223-R612 VanDerWaalsContact OG-N 3.15Å
224L96.9Very high92.5Very high18 Ų1827.9 Ų27.99%0.09416%0.161CC..EExtended strand (participates in β ladder)trans-123.3138.3-178.1-64178.5000110.2K184 F543 R612 L613 I614 W671K184-L224 HydrophobicContact CB-CD2 3.88Å; K184-L224 HydrophobicContact CD-CD2 4.42Å; K184-L224 WeakPolarHBondContact O-CA 3.23Å; L224-F543 HydrophobicContact CD2-CE1 4.17Å; L224-R612 PolarHBondContact N-O 3.41Å; L224-L613 HydrophobicContact CB-CD1 3.86Å; L224-I614 PolarHBondContact O-N 3.07Å; L224-W671 HydrophobicContact CB-CZ3 4.37Å; L224-W671 HydrophobicContact CD1-CH2 3.77Å; L224-W671 HydrophobicContact CD1-CZ3 4.06Å; L224-W671 HydrophobicContact CG-CH2 3.88Å; L224-W671 HydrophobicContact CG-CZ3 4.02Å
225L98.5Very high92.7Very high0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-107.4113.1164.5170.660.4000107.3L172 P183 K184 I185 C186 V200 I227 I614 F616L172-L225 HydrophobicContact CD1-CD1 4.24Å; L172-L225 HydrophobicContact CD2-CD1 4.41Å; L172-L225 HydrophobicContact CD2-CD2 4.18Å; L172-L225 HydrophobicContact CG-CD2 4.35Å; P183-L225 HydrophobicContact CB-CB 4.06Å; P183-L225 HydrophobicContact CG-CB 3.68Å; K184-L225 PolarHBondContact O-N 3.09Å; I185-L225 HydrophobicContact CD1-CD2 4.3Å; I185-L225 HydrophobicContact CG1-CB 4.4Å; I185-L225 HydrophobicContact CG1-CD2 4.18Å; I185-L225 HydrophobicContact CG2-CD2 4.24Å; I185-L225 HydrophobicContact CG2-CG 4.39Å; C186-L225 PolarHBondContact N-O 2.79Å; V200-L225 HydrophobicContact CG1-CD2 3.81Å; L225-I227 HydrophobicContact CD1-CG1 4.47Å; L225-I227 HydrophobicContact CD2-CD1 4.33Å; L225-I227 HydrophobicContact CD2-CG1 4.46Å; L225-I227 HydrophobicContact CG-CD1 4.5Å; L225-I227 HydrophobicContact CG-CG1 4.14Å; L225-I614 CarbonylContact C-O 3.56Å; L225-I614 WeakPolarHBondContact CA-O 3.15Å; L225-I614 HydrophobicContact CD1-CB 3.97Å; L225-I614 HydrophobicContact CD1-CG2 3.7Å; L225-F616 HydrophobicContact CD1-CB 4.35Å
226L98.8Very high93.2Very high2 Ų227.3 Ų27.31%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-99.8111.1178.1175.164.8000109.8C186 V228 I527 L536 F541 L613 I614 V615 F616C186-L226 HydrophobicContact CB-CD1 4.39Å; C186-L226 CarbonylContact O-C 3.35Å; C186-L226 WeakPolarHBondContact O-CA 3.34Å; L226-V228 HydrophobicContact CD1-CG1 4.08Å; L226-V228 HydrophobicContact CD2-CG1 4.46Å; L226-V228 HydrophobicContact CG-CG1 4.04Å; L226-I527 HydrophobicContact CD1-CG2 4.43Å; L226-I527 HydrophobicContact CD2-CG2 3.66Å; L226-L536 HydrophobicContact CD1-CD2 4.42Å; L226-F541 HydrophobicContact CD1-CD1 4.03Å; L226-F541 HydrophobicContact CD1-CE1 3.96Å; L226-L613 HydrophobicContact CB-CD1 4.02Å; L226-I614 PolarHBondContact N-O 3.19Å; L226-V615 HydrophobicContact CD2-CG1 4.42Å; L226-V615 HydrophobicContact CD2-CG2 4.39Å; L226-F616 PolarHBondContact O-N 3.33Å
227I98.9Very high93.8Very high0 Ų021.4 Ų21.40%013%0.127CC..EExtended strand (participates in β ladder)trans-98.5121.3175.9-61.7172.1000109.1L172 I185 C186 Y187 Q188 N193 L196 A197 L225 V618L172-I227 HydrophobicContact CD2-CD1 4.27Å; L172-I227 HydrophobicContact CD2-CG1 4.33Å; I185-I227 HydrophobicContact CG2-CD1 3.75Å; I185-I227 HydrophobicContact CG2-CG1 4.44Å; C186-I227 PolarHBondContact O-N 2.71Å; Y187-I227 CarbonylContact C-O 3.46Å; Y187-I227 VanDerWaalsContact CA-O 3.27Å; Y187-I227 WeakPolarHBondContact CA-O 3.33Å; Q188-I227 PolarHBondContact N-O 2.92Å; N193-I227 HydrophobicContact CB-CG2 4.28Å; L196-I227 HydrophobicContact CD2-CG2 3.85Å; L196-I227 HydrophobicContact CG-CD1 4.27Å; A197-I227 HydrophobicContact CB-CD1 3.85Å; L225-I227 HydrophobicContact CD1-CG1 4.47Å; L225-I227 HydrophobicContact CD2-CD1 4.33Å; L225-I227 HydrophobicContact CD2-CG1 4.46Å; L225-I227 HydrophobicContact CG-CD1 4.5Å; L225-I227 HydrophobicContact CG-CG1 4.14Å; I227-V618 HydrophobicContact CG2-CG2 4.47Å
228V98.4Very high94.6Very high0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-131.2162.3174.3-60.20000109.3Q188 L226 L232 I524 F541 F616 V617 V618Q188-V228 HydrophobicContact CB-CG1 4.27Å; L226-V228 HydrophobicContact CD1-CG1 4.08Å; L226-V228 HydrophobicContact CD2-CG1 4.46Å; L226-V228 HydrophobicContact CG-CG1 4.04Å; V228-L232 HydrophobicContact CB-CD2 3.97Å; V228-L232 HydrophobicContact CG1-CD2 4.01Å; V228-L232 HydrophobicContact CG2-CD2 4.07Å; V228-I524 HydrophobicContact CG2-CD1 3.96Å; V228-F541 HydrophobicContact CG1-CE1 3.93Å; V228-F616 PolarHBondContact N-O 3.5Å; V228-V617 HydrophobicContact CG2-CB 4.26Å; V228-V617 HydrophobicContact CG2-CG1 4.23Å; V228-V617 HydrophobicContact CG2-CG2 3.84Å; V228-V617 WeakPolarHBondContact O-CA 3.1Å; V228-V618 PolarHBondContact O-N 3.33Å
229D97.4Very high95.5Very high5 Ų515.4 Ų15.43%0.0278%0.077CC..EExtended strand (participates in β ladder)trans-122.9171.6173.365.951.6000110.6Y151 F152 T190 N193 S231 L232 V618Y151-D229 HydrophobicContact CE1-CB 4.28Å; F152-D229 HydrophobicContact CE1-CB 3.94Å; F152-D229 HydrophobicContact CZ-CB 4.38Å; T190-D229 WeakPolarHBondContact CG2-OD2 3.49Å; T190-D229 PolarHBondContact OG1-OD2 3.41Å; N193-D229 PolarHBondContact ND2-OD2 3.2Å; N193-D229 PolarHBondContact OD1-OD2 3.06Å; D229-S231 PolarHBondContact O-N 2.94Å; D229-S231 WeakPolarHBondContact OD1-CB 3.11Å; D229-S231 PolarHBondContact OD1-N 3.4Å; D229-S231 PolarHBondContact OD1-OG 3.38Å; D229-L232 VanDerWaalsContact O-CB 3.27Å; D229-L232 WeakPolarHBondContact O-CB 3.34Å; D229-L232 PolarHBondContact O-N 3.16Å; D229-V618 CarbonylContact C-O 3.52Å; D229-V618 WeakPolarHBondContact CA-O 3.45Å; D229-V618 HydrophobicContact CB-CB 3.98Å
230R96.5Very high96.1Very high1 Ų111.9 Ų11.90%0.0046%0.06CC..G310 helixtrans-67.2-10.6-170.9-150.355.9-85.1169-0.4114.6F152 L232 D233 I451 V617 V618 G620 E625 F686F152-R230 HydrophobicContact CE1-CB 4.21Å; F152-R230 HydrophobicContact CZ-CB 3.66Å; R230-L232 PolarHBondContact O-N 3.49Å; R230-D233 PolarHBondContact NE-O 3.44Å; R230-D233 PolarHBondContact NH2-O 2.88Å; R230-D233 CarbonylContact O-C 3.59Å; R230-D233 PolarHBondContact O-N 3.35Å; R230-I451 HydrophobicContact CB-CG2 4Å; R230-V617 VanDerWaalsContact NH1-CG1 3.31Å; R230-V618 PolarHBondContact N-O 3.16Å; R230-G620 PolarHBondContact NH1-O 3.32Å; R230-E625 IonicContact CZ-OE1 3.09Å; R230-E625 VanDerWaalsContact NH1-CD 3.25Å; R230-E625 IonicContact NH1-OE1 2.81Å; R230-E625 PolarHBondContact NH1-OE1 3.37Å; R230-E625 IonicContact NH1-OE2 3.46Å; R230-E625 PolarHBondContact NH1-OE2 2.94Å; R230-E625 IonicContact NH2-OE1 3.86Å; R230-E625 PolarHBondContact NH2-OE1 2.96Å; R230-F686 HydrophobicContact CG-CE2 3.87Å
231S95Very high96.6Very high7 Ų711.2 Ų11.25%0.0496%0.058CC..G310 helixtrans-65.4-19.7170.177.70000113Q188 D229 D233 I451Q188-S231 PolarHBondContact NE2-OG 2.91Å; D229-S231 PolarHBondContact O-N 2.94Å; D229-S231 WeakPolarHBondContact OD1-CB 3.11Å; D229-S231 PolarHBondContact OD1-N 3.4Å; D229-S231 PolarHBondContact OD1-OG 3.38Å; S231-D233 VanDerWaalsContact C-N 3.3Å; S231-D233 PolarHBondContact O-N 2.89Å; S231-I451 WeakPolarHBondContact CB-O 3.17Å
232L95.6Very high97.1Very high0 Ų06.6 Ų6.60%03%0.033CC..G310 helixtrans-60.6-41178.9-179.168.5000112.3V228 D229 R230 Y499 Y523 I524 I527 F541V228-L232 HydrophobicContact CB-CD2 3.97Å; V228-L232 HydrophobicContact CG1-CD2 4.01Å; V228-L232 HydrophobicContact CG2-CD2 4.07Å; D229-L232 VanDerWaalsContact O-CB 3.27Å; D229-L232 WeakPolarHBondContact O-CB 3.34Å; D229-L232 PolarHBondContact O-N 3.16Å; R230-L232 PolarHBondContact O-N 3.49Å; L232-Y499 VanDerWaalsContact O-CD1 3.25Å; L232-Y499 WeakPolarHBondContact O-CD1 3.41Å; L232-Y523 HydrophobicContact CD1-CD1 3.95Å; L232-Y523 HydrophobicContact CD1-CE1 3.84Å; L232-Y523 HydrophobicContact CG-CD1 4.02Å; L232-Y523 HydrophobicContact CG-CE1 4.42Å; L232-Y523 WeakPolarHBondContact O-CD1 3.39Å; L232-I524 HydrophobicContact CD2-CD1 3.67Å; L232-I527 HydrophobicContact CD1-CD1 4.43Å; L232-I527 HydrophobicContact CD1-CG1 4.16Å; L232-I527 HydrophobicContact CD2-CG1 4.13Å; L232-F541 HydrophobicContact CD1-CZ 4.29Å
233D96.5Very high97.4Very high0 Ų03.4 Ų3.40%02%0.018CC..  trans-161.390.9-177.41734.5000109.4R230 S231 I235 T236 W520 Y523R230-D233 PolarHBondContact NE-O 3.44Å; R230-D233 PolarHBondContact NH2-O 2.88Å; R230-D233 CarbonylContact O-C 3.59Å; R230-D233 PolarHBondContact O-N 3.35Å; S231-D233 VanDerWaalsContact C-N 3.3Å; S231-D233 PolarHBondContact O-N 2.89Å; D233-I235 VanDerWaalsContact C-N 3.27Å; D233-I235 PolarHBondContact OD1-N 2.76Å; D233-T236 VanDerWaalsContact CG-OG1 3.3Å; D233-T236 PolarHBondContact OD1-N 2.78Å; D233-T236 PolarHBondContact OD1-OG1 2.82Å; D233-T236 WeakPolarHBondContact OD2-CB 3.48Å; D233-T236 PolarHBondContact OD2-OG1 2.72Å; D233-W520 WeakPolarHBondContact OD2-CZ2 3.45Å; D233-Y523 WeakPolarHBondContact OD2-CB 3.49Å; D233-Y523 PolarHBondContact OD2-N 2.82Å
234P96.5Very high97.6Very high0 Ų03.5 Ų3.50%02%0.019CC..SBendtrans-81.4-3.3175.435.8-40.9000113.4L238 L418 L448 M452 Y499P234-L238 WeakPolarHBondContact O-CD1 3.03Å; P234-L418 HydrophobicContact CB-CD1 3.92Å; P234-L418 HydrophobicContact CB-CD2 4.21Å; P234-L418 HydrophobicContact CG-CD1 3.69Å; P234-L418 HydrophobicContact CG-CD2 3.53Å; P234-L418 HydrophobicContact CG-CG 4.21Å; P234-L448 HydrophobicContact CB-CD1 4.03Å; P234-M452 HydrophobicContact CB-SD 4.26Å; P234-M452 HydrophobicContact CG-CE 4.36Å; P234-M452 HydrophobicContact CG-SD 3.56Å; P234-M452 VanDerWaalsContact CG-SD 3.56Å; P234-Y499 VanDerWaalsContact CD-CE1 3.47Å; P234-Y499 HydrophobicContact CG-CE1 4.11Å
235I97.1Very high97.5Very high0 Ų02.9 Ų2.90%02%0.016CC..SBendtrans-83.2-46.2-177.5-75-172.5000110.8D233 P237 L238 L239 V378 L418 I419 Y499 L500 W520D233-I235 VanDerWaalsContact C-N 3.27Å; D233-I235 PolarHBondContact OD1-N 2.76Å; I235-P237 VanDerWaalsContact C-CD 3.44Å; I235-P237 VanDerWaalsContact C-N 3.29Å; I235-P237 VanDerWaalsContact O-N 3.17Å; I235-L238 WeakPolarHBondContact O-CB 3.42Å; I235-L238 PolarHBondContact O-N 3.32Å; I235-L239 HydrophobicContact CG2-CD1 3.64Å; I235-L239 HydrophobicContact CG2-CD2 4.41Å; I235-L239 HydrophobicContact CG2-CG 3.92Å; I235-V378 HydrophobicContact CD1-CG1 4.02Å; I235-V378 HydrophobicContact CD1-CG2 4.09Å; I235-V378 HydrophobicContact CG2-CB 4.46Å; I235-V378 HydrophobicContact CG2-CG1 3.81Å; I235-V378 HydrophobicContact CG2-CG2 3.73Å; I235-L418 HydrophobicContact CD1-CB 4.49Å; I235-L418 HydrophobicContact CG1-CB 4.3Å; I235-L418 HydrophobicContact CG1-CD1 3.86Å; I235-I419 HydrophobicContact CD1-CG1 4.43Å; I235-Y499 HydrophobicContact CD1-CD2 3.98Å; I235-Y499 HydrophobicContact CD1-CE2 3.48Å; I235-Y499 VanDerWaalsContact CD1-CE2 3.48Å; I235-Y499 HydrophobicContact CG1-CD2 4.29Å; I235-Y499 HydrophobicContact CG1-CE2 3.74Å; I235-L500 HydrophobicContact CD1-CD2 3.54Å; I235-W520 HydrophobicContact CB-CH2 4.32Å; I235-W520 HydrophobicContact CB-CZ2 4.2Å; I235-W520 HydrophobicContact CG2-CH2 4.16Å; I235-W520 HydrophobicContact CG2-CZ2 3.97Å
236T98.4Very high97.5Very high2 Ų23.4 Ų3.41%0.0122%0.02CC..G310 helixtrans-51.8-40.3-175.2-68.30000113.9D233 L238 W520 P522 T622 S624 E625D233-T236 VanDerWaalsContact CG-OG1 3.3Å; D233-T236 PolarHBondContact OD1-N 2.78Å; D233-T236 PolarHBondContact OD1-OG1 2.82Å; D233-T236 WeakPolarHBondContact OD2-CB 3.48Å; D233-T236 PolarHBondContact OD2-OG1 2.72Å; T236-L238 PolarHBondContact O-N 2.71Å; T236-W520 WeakPolarHBondContact OG1-CZ2 3.48Å; T236-W520 PolarHBondContact OG1-NE1 3.1Å; T236-P522 HydrophobicContact CG2-CB 3.99Å; T236-P522 HydrophobicContact CG2-CG 3.89Å; T236-T622 HydrophobicContact CG2-CG2 4.07Å; T236-T622 WeakPolarHBondContact CG2-OG1 3.36Å; T236-S624 WeakPolarHBondContact CG2-OG 3.4Å; T236-E625 HydrophobicContact CG2-CG 3.92Å
237P98.4Very high97.4Very high2 Ų23.3 Ų3.31%0.0132%0.019CC..G310 helixtrans-65.4-16.3175.1-22.834.8000116I235 T622 L681 P683 F686I235-P237 VanDerWaalsContact C-CD 3.44Å; I235-P237 VanDerWaalsContact C-N 3.29Å; I235-P237 VanDerWaalsContact O-N 3.17Å; P237-T622 HydrophobicContact CB-CG2 3.94Å; P237-T622 HydrophobicContact CG-CG2 3.81Å; P237-L681 HydrophobicContact CB-CD1 4.12Å; P237-L681 HydrophobicContact CG-CD1 3.97Å; P237-P683 VanDerWaalsContact O-CA 3.24Å; P237-P683 WeakPolarHBondContact O-CA 3.06Å; P237-P683 WeakPolarHBondContact O-CB 3.31Å; P237-P683 WeakPolarHBondContact O-CG 3.33Å; P237-F686 HydrophobicContact CB-CB 3.96Å; P237-F686 HydrophobicContact CB-CD1 3.74Å; P237-F686 HydrophobicContact CB-CD2 3.92Å; P237-F686 HydrophobicContact CB-CE1 4.19Å; P237-F686 HydrophobicContact CB-CE2 4.37Å; P237-F686 HydrophobicContact CB-CG 3.58Å; P237-F686 HydrophobicContact CB-CZ 4.49Å; P237-F686 HydrophobicContact CG-CD2 4.33Å; P237-F686 HydrophobicContact CG-CE2 4.41Å; P237-F686 HydrophobicContact CG-CG 4.45Å
238L98.4Very high97.3Very high0 Ų03.3 Ų3.30%02%0.019CC..G310 helixtrans-97.4-13.8-176.2-64.8168.3000113.4P234 I235 T236 R411 L414 I415 L418 F686 L687P234-L238 WeakPolarHBondContact O-CD1 3.03Å; I235-L238 WeakPolarHBondContact O-CB 3.42Å; I235-L238 PolarHBondContact O-N 3.32Å; T236-L238 PolarHBondContact O-N 2.71Å; L238-R411 HydrophobicContact CD2-CG 4.33Å; L238-R411 VanDerWaalsContact O-CZ 3.27Å; L238-R411 PolarHBondContact O-NE 3.39Å; L238-R411 PolarHBondContact O-NH2 3.37Å; L238-L414 HydrophobicContact CD1-CB 3.77Å; L238-L414 HydrophobicContact CD2-CB 4.37Å; L238-L414 HydrophobicContact CD2-CD1 3.96Å; L238-I415 HydrophobicContact CB-CD1 3.93Å; L238-I415 HydrophobicContact CB-CG1 3.77Å; L238-I415 HydrophobicContact CD1-CG1 3.94Å; L238-L418 HydrophobicContact CD1-CD1 4.04Å; L238-F686 HydrophobicContact CD1-CE1 4.37Å; L238-F686 HydrophobicContact CD2-CD1 3.69Å; L238-F686 HydrophobicContact CD2-CE1 3.92Å; L238-F686 HydrophobicContact CG-CD1 4.03Å; L238-F686 HydrophobicContact CG-CE1 3.96Å; L238-L687 HydrophobicContact CD2-CD2 4.31Å
239L98.3Very high97.1Very high6 Ų64.6 Ų4.63%0.0312%0.024CC..SBendtrans-85.9142.1-172.5-69.2174.9000112.7I235 E241 E374 V378 R411 I415 W520I235-L239 HydrophobicContact CG2-CD1 3.64Å; I235-L239 HydrophobicContact CG2-CD2 4.41Å; I235-L239 HydrophobicContact CG2-CG 3.92Å; L239-E241 PolarHBondContact O-N 2.99Å; L239-E374 WeakPolarHBondContact CA-OE2 3.33Å; L239-E374 HydrophobicContact CD2-CB 3.75Å; L239-E374 HydrophobicContact CD2-CG 4.23Å; L239-V378 HydrophobicContact CD2-CG2 4.01Å; L239-R411 PolarHBondContact O-NH2 3.14Å; L239-I415 HydrophobicContact CD2-CD1 3.86Å; L239-W520 HydrophobicContact CD1-CB 3.91Å; L239-W520 HydrophobicContact CD1-CD2 3.91Å; L239-W520 HydrophobicContact CD1-CG 3.41Å; L239-W520 VanDerWaalsContact CD1-CG 3.41Å
240H98.3Very high97.1Very high4 Ų45.9 Ų5.92%0.0193%0.031CC..PPolyproline II helixtrans-70117.8165.4-78.396.2000109D250 V367 C371 E374 R411H240-D250 IonicContact CD2-OD2 2.72Å; H240-D250 PolarHBondContact CD2-OD2 2.71Å; H240-D250 IonicContact CG-OD2 3.61Å; H240-D250 IonicContact NE2-OD2 3.7Å; H240-V367 HydrophobicContact CB-CG1 4.31Å; H240-V367 VanDerWaalsContact CD2-CG1 3.46Å; H240-V367 WeakPolarHBondContact CD2-CG1 3.35Å; H240-C371 WeakPolarHBondContact CB-SG 3.46Å; H240-E374 IonicContact CE1-OE1 2.7Å; H240-E374 IonicContact CG-OE1 3.87Å; H240-E374 PolarHBondContact N-OE2 3.47Å; H240-E374 IonicContact ND1-OE1 3.25Å; H240-E374 PolarHBondContact ND1-OE1 3.02Å; H240-E374 IonicContact ND1-OE2 3.9Å; H240-R411 VanDerWaalsContact CE1-CZ 3.48Å; H240-R411 PolarHBondContact CE1-NH1 3.02Å; H240-R411 PolarHBondContact ND1-NH2 3.37Å; H240-R411 PolarHBondContact NE2-NH1 3.23Å
241E97.7Very high97Very high13 Ų137.3 Ų7.36%0.0614%0.038CC..PPolyproline II helixtrans-103.9128.4180-167.176.1-164.100110.6L239 T243 A246 M247 R627L239-E241 PolarHBondContact O-N 2.99Å; E241-T243 PolarHBondContact O-N 3.32Å; E241-A246 HydrophobicContact CB-CB 3.73Å; E241-A246 HydrophobicContact CG-CB 3.84Å; E241-M247 WeakPolarHBondContact O-CA 3.46Å; E241-M247 VanDerWaalsContact O-CB 3.31Å; E241-M247 WeakPolarHBondContact O-CB 3.34Å; E241-M247 PolarHBondContact O-N 2.95Å; E241-R627 IonicContact OE1-CZ 3.89Å; E241-R627 IonicContact OE1-NH1 3.67Å; E241-R627 PolarHBondContact OE1-NH1 3.18Å; E241-R627 IonicContact OE1-NH2 3.14Å; E241-R627 PolarHBondContact OE1-NH2 3.41Å
242L98.2Very high96.9Very high5 Ų58 Ų83%0.0264%0.042CC..  trans-97.621-173.1-56.4-177.7000114.3M247 V284 F363 L517L242-M247 HydrophobicContact CD2-CE 4.34Å; L242-M247 HydrophobicContact CD2-SD 4.33Å; L242-V284 HydrophobicContact CB-CG1 4.38Å; L242-V284 PolarHBondContact O-N 3Å; L242-F363 HydrophobicContact CD1-CE2 3.96Å; L242-F363 HydrophobicContact CD1-CZ 4.21Å; L242-F363 HydrophobicContact CD2-CD2 3.93Å; L242-F363 HydrophobicContact CD2-CE2 3.67Å; L242-F363 HydrophobicContact CG-CE2 4.5Å; L242-L517 HydrophobicContact CD1-CB 3.77Å; L242-L517 HydrophobicContact CD1-CD1 4.5Å
243T98Very high96.7Very high6 Ų611.8 Ų11.84%0.0377%0.065CC..BIsolated β-bridgetrans-89.6142163.947.90000111.2E241 Q245 A246 M247 H281 Q282E241-T243 PolarHBondContact O-N 3.32Å; T243-Q245 PolarHBondContact O-N 3.29Å; T243-A246 PolarHBondContact O-N 3.45Å; T243-A246 VanDerWaalsContact O-N 3.1Å; T243-M247 WeakPolarHBondContact O-CB 3.48Å; T243-M247 PolarHBondContact O-N 3.41Å; T243-H281 WeakPolarHBondContact CG2-O 3.25Å; T243-Q282 VanDerWaalsContact CA-O 3.26Å; T243-Q282 WeakPolarHBondContact CA-O 3.47Å; T243-Q282 WeakPolarHBondContact CB-O 3.49Å
244L97Very high96.4Very high3 Ų313.6 Ų13.62%0.0168%0.076CC..Hα-helixtrans-45.2-57.7-164.4-179.361000113.9M247 C248 W276 F279 Q282 V287 V356L244-M247 PolarHBondContact O-N 3.1Å; L244-C248 WeakPolarHBondContact O-CB 3.15Å; L244-C248 PolarHBondContact O-N 3.39Å; L244-C248 PolarHBondContact O-SG 3.08Å; L244-W276 HydrophobicContact CD2-CE3 4.27Å; L244-W276 HydrophobicContact CD2-CH2 4.47Å; L244-W276 HydrophobicContact CD2-CZ3 3.81Å; L244-W276 HydrophobicContact CG-CH2 4.23Å; L244-W276 HydrophobicContact CG-CZ3 4Å; L244-F279 HydrophobicContact CD2-CB 3.81Å; L244-Q282 PolarHBondContact N-O 3.48Å; L244-V287 HydrophobicContact CB-CG2 4.32Å; L244-V287 HydrophobicContact CD2-CG1 4.23Å; L244-V287 HydrophobicContact CD2-CG2 4.49Å; L244-V356 HydrophobicContact CD1-CG2 3.67Å
245Q96.3Very high95.9Very high5 Ų519.2 Ų19.22%0.02310%0.102CC..Hα-helixtrans-64.2-46.2-175.9177.8-178.830.100112.7E136 T243 M247 C248 Y249 W276 R280 H281 L623E136-Q245 PolarHBondContact OE1-NE2 2.68Å; T243-Q245 PolarHBondContact O-N 3.29Å; Q245-M247 VanDerWaalsContact C-N 3.32Å; Q245-M247 PolarHBondContact O-N 2.9Å; Q245-C248 PolarHBondContact O-N 3.16Å; Q245-Y249 HydrophobicContact CG-CD2 4.28Å; Q245-Y249 HydrophobicContact CG-CE2 4.18Å; Q245-Y249 VanDerWaalsContact O-CD2 3.24Å; Q245-Y249 WeakPolarHBondContact O-CD2 3.41Å; Q245-Y249 PolarHBondContact O-N 2.81Å; Q245-Y249 VanDerWaalsContact O-N 3.08Å; Q245-W276 HydrophobicContact CB-CH2 4.33Å; Q245-W276 HydrophobicContact CB-CZ2 3.83Å; Q245-W276 HydrophobicContact CG-CZ2 3.89Å; Q245-R280 HydrophobicContact CB-CB 3.87Å; Q245-R280 VanDerWaalsContact CB-O 3.29Å; Q245-R280 WeakPolarHBondContact CB-O 3.04Å; Q245-R280 PolarHBondContact N-O 3.35Å; Q245-H281 PolarHBondContact OE1-CE1 3.12Å; Q245-L623 HydrophobicContact CG-CD1 3.99Å; Q245-L623 HydrophobicContact CG-CD2 4.03Å; Q245-L623 HydrophobicContact CG-CG 4.49Å
246A97Very high95.1Very high10 Ų1027.4 Ų27.48%0.08314%0.14CC..Hα-helixtrans-62.9-42.2178.800000111.3E241 T243 Y249 D250 L623E241-A246 HydrophobicContact CB-CB 3.73Å; E241-A246 HydrophobicContact CG-CB 3.84Å; T243-A246 PolarHBondContact O-N 3.45Å; T243-A246 VanDerWaalsContact O-N 3.1Å; A246-Y249 PolarHBondContact O-N 2.88Å; A246-D250 WeakPolarHBondContact O-CB 3Å; A246-D250 PolarHBondContact O-N 3.01Å; A246-D250 VanDerWaalsContact O-N 3.07Å; A246-L623 HydrophobicContact CB-CB 3.77Å
247M97.6Very high94.2Very high1 Ų130.1 Ų30.11%0.00516%0.155CC..Hα-helixtrans-63.4-41.4177.2-170-179.5-177.700112E241 L242 T243 L244 Q245 D250 L251 V284 C359 M360 F363E241-M247 WeakPolarHBondContact O-CA 3.46Å; E241-M247 VanDerWaalsContact O-CB 3.31Å; E241-M247 WeakPolarHBondContact O-CB 3.34Å; E241-M247 PolarHBondContact O-N 2.95Å; L242-M247 HydrophobicContact CD2-CE 4.34Å; L242-M247 HydrophobicContact CD2-SD 4.33Å; T243-M247 WeakPolarHBondContact O-CB 3.48Å; T243-M247 PolarHBondContact O-N 3.41Å; L244-M247 PolarHBondContact O-N 3.1Å; Q245-M247 VanDerWaalsContact C-N 3.32Å; Q245-M247 PolarHBondContact O-N 2.9Å; M247-D250 PolarHBondContact O-N 2.92Å; M247-L251 HydrophobicContact CE-CD1 3.61Å; M247-L251 HydrophobicContact CG-CD1 3.71Å; M247-L251 HydrophobicContact CG-CG 4.28Å; M247-L251 WeakPolarHBondContact O-CB 3.46Å; M247-L251 WeakPolarHBondContact O-CG 3.26Å; M247-L251 PolarHBondContact O-N 3.33Å; M247-V284 HydrophobicContact SD-CB 3.9Å; M247-V284 HydrophobicContact SD-CG1 3.93Å; M247-V284 HydrophobicContact SD-CG2 3.89Å; M247-C359 HydrophobicContact CE-CB 4.05Å; M247-C359 HydrophobicContact SD-CB 4.2Å; M247-M360 HydrophobicContact CE-SD 4.43Å; M247-F363 HydrophobicContact CE-CB 3.54Å; M247-F363 HydrophobicContact CE-CD2 4.02Å; M247-F363 HydrophobicContact CE-CG 3.93Å
248C96.1Very high93.8Very high0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-63.7-44.4176.6-67.90000112.1L244 Q245 D250 L252 I259 I355 C359L244-C248 WeakPolarHBondContact O-CB 3.15Å; L244-C248 PolarHBondContact O-N 3.39Å; L244-C248 PolarHBondContact O-SG 3.08Å; Q245-C248 PolarHBondContact O-N 3.16Å; C248-D250 VanDerWaalsContact C-N 3.27Å; C248-D250 PolarHBondContact O-N 3.24Å; C248-L252 HydrophobicContact CB-CD1 4.39Å; C248-L252 WeakPolarHBondContact O-CA 3.46Å; C248-L252 VanDerWaalsContact O-CB 3.26Å; C248-L252 WeakPolarHBondContact O-CB 3.28Å; C248-L252 PolarHBondContact O-N 3Å; C248-I259 HydrophobicContact CB-CD1 3.85Å; C248-I355 WeakPolarHBondContact SG-CG2 3.2Å; C248-C359 PolarHBondContact SG-SG 3.36Å
249Y95.3Very high93.4Very high27 Ų2731.9 Ų31.911%0.10617%0.165CC..Hα-helixtrans-72-20.9-178.9-84.2-120000113.4Q245 A246 V254 N257 L623 L680 T682Q245-Y249 HydrophobicContact CG-CD2 4.28Å; Q245-Y249 HydrophobicContact CG-CE2 4.18Å; Q245-Y249 VanDerWaalsContact O-CD2 3.24Å; Q245-Y249 WeakPolarHBondContact O-CD2 3.41Å; Q245-Y249 PolarHBondContact O-N 2.81Å; Q245-Y249 VanDerWaalsContact O-N 3.08Å; A246-Y249 PolarHBondContact O-N 2.88Å; Y249-V254 HydrophobicContact CD1-CB 4.41Å; Y249-V254 HydrophobicContact CD1-CG1 4.21Å; Y249-V254 HydrophobicContact CD2-CG1 4.27Å; Y249-V254 HydrophobicContact CD2-CG2 4.09Å; Y249-V254 HydrophobicContact CE1-CG1 3.85Å; Y249-V254 HydrophobicContact CE2-CG1 3.9Å; Y249-V254 HydrophobicContact CE2-CG2 4.48Å; Y249-V254 HydrophobicContact CG-CB 4.45Å; Y249-V254 HydrophobicContact CG-CG1 4.42Å; Y249-V254 HydrophobicContact CG-CG2 4.16Å; Y249-N257 PolarHBondContact OH-OD1 3.1Å; Y249-L623 HydrophobicContact CD1-CD1 3.76Å; Y249-L623 HydrophobicContact CD2-CD1 3.84Å; Y249-L623 HydrophobicContact CE1-CD1 4.4Å; Y249-L623 HydrophobicContact CE2-CD1 4.46Å; Y249-L623 HydrophobicContact CG-CD1 3.43Å; Y249-L623 VanDerWaalsContact CG-CD1 3.43Å; Y249-L680 HydrophobicContact CD1-CD2 4.28Å; Y249-L680 HydrophobicContact CE1-CD2 3.97Å; Y249-T682 HydrophobicContact CD1-CG2 4.31Å; Y249-T682 WeakPolarHBondContact O-CG2 3.4Å
250D96.2Very high93.1Very high31 Ų3134.2 Ų34.217%0.16618%0.176CC..Hα-helixtrans-84.3-49.4173.6-167.111.3000111.2H240 A246 M247 C248 R411 P683H240-D250 IonicContact CD2-OD2 2.72Å; H240-D250 PolarHBondContact CD2-OD2 2.71Å; H240-D250 IonicContact CG-OD2 3.61Å; H240-D250 IonicContact NE2-OD2 3.7Å; A246-D250 WeakPolarHBondContact O-CB 3Å; A246-D250 PolarHBondContact O-N 3.01Å; A246-D250 VanDerWaalsContact O-N 3.07Å; M247-D250 PolarHBondContact O-N 2.92Å; C248-D250 VanDerWaalsContact C-N 3.27Å; C248-D250 PolarHBondContact O-N 3.24Å; D250-R411 IonicContact OD1-CZ 3.69Å; D250-R411 IonicContact OD1-NH1 3.88Å; D250-R411 PolarHBondContact OD1-NH1 3.18Å; D250-R411 IonicContact OD2-CZ 2.8Å; D250-R411 IonicContact OD2-NH1 2.86Å; D250-R411 PolarHBondContact OD2-NH1 2.77Å; D250-R411 IonicContact OD2-NH2 3.53Å; D250-R411 PolarHBondContact OD2-NH2 2.99Å; D250-P683 WeakPolarHBondContact OD1-CG 3.15Å
251L94.9Very high92.5Very high31 Ų3135.1 Ų35.116%0.16218%0.18CC..Hα-helixtrans-94.8-16.8-167.6-58.1-174000115.2M247 T362 V367M247-L251 HydrophobicContact CE-CD1 3.61Å; M247-L251 HydrophobicContact CG-CD1 3.71Å; M247-L251 HydrophobicContact CG-CG 4.28Å; M247-L251 WeakPolarHBondContact O-CB 3.46Å; M247-L251 WeakPolarHBondContact O-CG 3.26Å; M247-L251 PolarHBondContact O-N 3.33Å; L251-T362 HydrophobicContact CB-CG2 4.23Å; L251-T362 HydrophobicContact CD1-CG2 4.35Å; L251-T362 HydrophobicContact CD2-CG2 4.48Å; L251-V367 HydrophobicContact CD2-CG1 4.33Å; L251-V367 HydrophobicContact CD2-CG2 4.1Å
252L93.8Very high91.7Very high23 Ų2337.3 Ų37.312%0.1220%0.196CC..SBendtrans-119163-176.9-50.7-178.1000111.3C248 V254 I259 I355 T358 C359C248-L252 HydrophobicContact CB-CD1 4.39Å; C248-L252 WeakPolarHBondContact O-CA 3.46Å; C248-L252 VanDerWaalsContact O-CB 3.26Å; C248-L252 WeakPolarHBondContact O-CB 3.28Å; C248-L252 PolarHBondContact O-N 3Å; L252-V254 PolarHBondContact O-N 3.4Å; L252-I259 HydrophobicContact CB-CG2 4.28Å; L252-I259 HydrophobicContact CD1-CG2 3.62Å; L252-I355 HydrophobicContact CD1-CG2 4.22Å; L252-T358 HydrophobicContact CD2-CG2 3.68Å; L252-C359 VanDerWaalsContact CD1-SG 3.51Å
253T90.8Very high90.5Very high79 Ų7940 Ų4049%0.48523%0.226SC..  trans-75.1120.4170.6-53.70000109.4E255 E260T253-E255 HydrophobicContact CG2-CG 4.45Å; T253-E260 PolarHBondContact O-N 2.87Å
254V90.2Very high89.6Confident38 Ų3846.1 Ų46.123%0.2326%0.258CS..EExtended strand (participates in β ladder)trans-126.4122.8177.2-169.80000110Y249 L252 T258 I259Y249-V254 HydrophobicContact CD1-CB 4.41Å; Y249-V254 HydrophobicContact CD1-CG1 4.21Å; Y249-V254 HydrophobicContact CD2-CG1 4.27Å; Y249-V254 HydrophobicContact CD2-CG2 4.09Å; Y249-V254 HydrophobicContact CE1-CG1 3.85Å; Y249-V254 HydrophobicContact CE2-CG1 3.9Å; Y249-V254 HydrophobicContact CE2-CG2 4.48Å; Y249-V254 HydrophobicContact CG-CB 4.45Å; Y249-V254 HydrophobicContact CG-CG1 4.42Å; Y249-V254 HydrophobicContact CG-CG2 4.16Å; L252-V254 PolarHBondContact O-N 3.4Å; V254-T258 WeakPolarHBondContact CA-O 3.34Å; V254-I259 HydrophobicContact CG1-CG1 4.16Å; V254-I259 HydrophobicContact CG2-CG1 3.93Å
255E85.3Confident89Confident117 Ų11752.5 Ų52.555%0.54728%0.282SS..EExtended strand (participates in β ladder)trans-128.8119.2178.7-65.9179.1165.300109T253 N257 T258T253-E255 HydrophobicContact CG2-CG 4.45Å; E255-N257 VanDerWaalsContact C-N 3.34Å; E255-N257 PolarHBondContact O-N 3.03Å; E255-T258 PolarHBondContact N-O 3.25Å; E255-T258 WeakPolarHBondContact O-CA 3.41Å; E255-T258 WeakPolarHBondContact O-CB 3.41Å; E255-T258 PolarHBondContact O-N 3.04Å
256E80.1Confident88.6Confident172 Ų17258.3 Ų58.380%0.80431%0.307SS*.THydrogen-bonded Turntrans49.148.2176.8-58.2-173.416500114.1T258E256-T258 PolarHBondContact O-N 2.94Å
257N81Confident88.1Confident60 Ų6058.4 Ų58.432%0.32131%0.308SS..THydrogen-bonded Turntrans62.118.9-174.6-50.6-43.8000114.4Y249 E255 N268 V269Y249-N257 PolarHBondContact OH-OD1 3.1Å; E255-N257 VanDerWaalsContact C-N 3.34Å; E255-N257 PolarHBondContact O-N 3.03Å; N257-N268 WeakPolarHBondContact O-CA 3.45Å; N257-V269 HydrophobicContact CB-CG2 4.47Å; N257-V269 WeakPolarHBondContact O-CG2 3.14Å; N257-V269 PolarHBondContact O-N 2.8Å
258T89Confident87.3Confident38 Ų3863.2 Ų63.223%0.23333%0.334CS..EExtended strand (participates in β ladder)trans-104.6115.9170.3-57.70000109.3V254 E255 E256 K266 A267V254-T258 WeakPolarHBondContact CA-O 3.34Å; E255-T258 PolarHBondContact N-O 3.25Å; E255-T258 WeakPolarHBondContact O-CA 3.41Å; E255-T258 WeakPolarHBondContact O-CB 3.41Å; E255-T258 PolarHBondContact O-N 3.04Å; E256-T258 PolarHBondContact O-N 2.94Å; T258-K266 HydrophobicContact CG2-CB 3.63Å; T258-K266 HydrophobicContact CG2-CD 3.92Å; T258-K266 HydrophobicContact CG2-CG 3.96Å; T258-A267 CarbonylContact C-O 3.52Å; T258-A267 WeakPolarHBondContact CA-O 3.47Å
259I90.8Very high86.5Confident0 Ų063.7 Ų63.70%034%0.337CS..EExtended strand (participates in β ladder)trans-89.7128.3175.4-62.1175000108.5C248 L252 V254 K266 A267 V269 W276 I355C248-I259 HydrophobicContact CB-CD1 3.85Å; L252-I259 HydrophobicContact CB-CG2 4.28Å; L252-I259 HydrophobicContact CD1-CG2 3.62Å; V254-I259 HydrophobicContact CG1-CG1 4.16Å; V254-I259 HydrophobicContact CG2-CG1 3.93Å; I259-K266 WeakPolarHBondContact O-CA 3.46Å; I259-A267 PolarHBondContact N-O 3.07Å; I259-A267 PolarHBondContact O-N 2.94Å; I259-V269 HydrophobicContact CD1-CB 4.28Å; I259-V269 HydrophobicContact CD1-CG1 3.74Å; I259-V269 HydrophobicContact CD1-CG2 3.64Å; I259-V269 HydrophobicContact CG1-CG1 4.33Å; I259-V269 HydrophobicContact CG1-CG2 3.7Å; I259-W276 HydrophobicContact CD1-CH2 3.88Å; I259-W276 HydrophobicContact CD1-CZ2 4.43Å; I259-W276 HydrophobicContact CD1-CZ3 4.44Å; I259-I355 HydrophobicContact CB-CD1 4.39Å; I259-I355 HydrophobicContact CD1-CD1 4.26Å; I259-I355 HydrophobicContact CD1-CG2 4.46Å; I259-I355 HydrophobicContact CG2-CD1 4.4Å; I259-I355 HydrophobicContact CG2-CG1 4.2Å
260E90.9Very high85.5Confident55 Ų5564.1 Ų64.126%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-86.6129.3167-162.7-175.2148.100110.8T253 N264 R265T253-E260 PolarHBondContact O-N 2.87Å; E260-N264 WeakPolarHBondContact OE1-CA 3.36Å; E260-N264 PolarHBondContact OE1-N 2.83Å; E260-N264 PolarHBondContact OE1-OD1 2.93Å; E260-N264 VanDerWaalsContact OE1-OD1 3.07Å; E260-R265 CarbonylContact C-O 3.53Å; E260-R265 VanDerWaalsContact CA-O 3.27Å; E260-R265 WeakPolarHBondContact CA-O 3.45Å
261Y87.2Confident84.5Confident23 Ų2363.4 Ų63.49%0.0934%0.342CS..EExtended strand (participates in β ladder)trans-140.9161.1-178.966.1-84.6000111.7G263 R265 A267 H354 I355Y261-G263 PolarHBondContact O-N 3.49Å; Y261-R265 HydrophobicContact CD1-CB 4.14Å; Y261-R265 WeakPolarHBondContact CD1-O 3.25Å; Y261-R265 HydrophobicContact CD2-CB 3.88Å; Y261-R265 HydrophobicContact CE1-CB 3.79Å; Y261-R265 HydrophobicContact CE2-CB 3.54Å; Y261-R265 HydrophobicContact CE2-CG 4.26Å; Y261-R265 HydrophobicContact CG-CB 4.18Å; Y261-R265 VanDerWaalsContact CZ-CB 3.49Å; Y261-R265 PolarHBondContact N-O 2.85Å; Y261-R265 WeakPolarHBondContact O-CA 3.31Å; Y261-R265 WeakPolarHBondContact O-CB 3.36Å; Y261-R265 PolarHBondContact O-N 3.24Å; Y261-A267 HydrophobicContact CD1-CB 4.25Å; Y261-A267 HydrophobicContact CE1-CB 3.55Å; Y261-H354 HydrophobicContact CD2-CB 3.51Å; Y261-H354 HydrophobicContact CE2-CB 3.57Å; Y261-I355 HydrophobicContact CD1-CD1 4.44Å; Y261-I355 HydrophobicContact CD1-CG1 3.89Å; Y261-I355 HydrophobicContact CG-CG1 3.98Å
262S80.2Confident83.6Confident59 Ų5965.6 Ų65.641%0.41337%0.372SS..THydrogen-bonded Turntrans48.633.5178.2-53.80000115.6
263G73Confident83.2Confident63 Ų6366.5 Ų66.565%0.64938%0.377SS*.THydrogen-bonded Turntrans66.869.3178.300000113.5Y261Y261-G263 PolarHBondContact O-N 3.49Å
264N79.2Confident83Confident134 Ų13466.4 Ų66.472%0.71738%0.384SS*.THydrogen-bonded Turntrans95.77.4176.2-47.7-20000118E260E260-N264 WeakPolarHBondContact OE1-CA 3.36Å; E260-N264 PolarHBondContact OE1-N 2.83Å; E260-N264 PolarHBondContact OE1-OD1 2.93Å; E260-N264 VanDerWaalsContact OE1-OD1 3.07Å
265R84.8Confident83Confident136 Ų13665.1 Ų65.151%0.51338%0.376SS..EExtended strand (participates in β ladder)trans-81.1144165.8-68.6-175.6165.6179.6-4.8109.6E260 Y261E260-R265 CarbonylContact C-O 3.53Å; E260-R265 VanDerWaalsContact CA-O 3.27Å; E260-R265 WeakPolarHBondContact CA-O 3.45Å; Y261-R265 HydrophobicContact CD1-CB 4.14Å; Y261-R265 WeakPolarHBondContact CD1-O 3.25Å; Y261-R265 HydrophobicContact CD2-CB 3.88Å; Y261-R265 HydrophobicContact CE1-CB 3.79Å; Y261-R265 HydrophobicContact CE2-CB 3.54Å; Y261-R265 HydrophobicContact CE2-CG 4.26Å; Y261-R265 HydrophobicContact CG-CB 4.18Å; Y261-R265 VanDerWaalsContact CZ-CB 3.49Å; Y261-R265 PolarHBondContact N-O 2.85Å; Y261-R265 WeakPolarHBondContact O-CA 3.31Å; Y261-R265 WeakPolarHBondContact O-CB 3.36Å; Y261-R265 PolarHBondContact O-N 3.24Å
266K87.5Confident83.3Confident127 Ų12760.1 Ų60.155%0.55235%0.352SS*.EExtended strand (participates in β ladder)trans-121.8137.3-178.6-70.2-170.2177.1-159.60110.4T258 I259T258-K266 HydrophobicContact CG2-CB 3.63Å; T258-K266 HydrophobicContact CG2-CD 3.92Å; T258-K266 HydrophobicContact CG2-CG 3.96Å; I259-K266 WeakPolarHBondContact O-CA 3.46Å
267A85.7Confident83.9Confident12 Ų1255.8 Ų55.810%0.09933%0.331CS..EExtended strand (participates in β ladder)trans-133.3133.3172.700000109.8T258 I259 Y261 A351 I355T258-A267 CarbonylContact C-O 3.52Å; T258-A267 WeakPolarHBondContact CA-O 3.47Å; I259-A267 PolarHBondContact N-O 3.07Å; I259-A267 PolarHBondContact O-N 2.94Å; Y261-A267 HydrophobicContact CD1-CB 4.25Å; Y261-A267 HydrophobicContact CE1-CB 3.55Å; A267-A351 HydrophobicContact CB-CB 3.64Å; A267-I355 HydrophobicContact CB-CD1 4.1Å
268N81.2Confident84.4Confident103 Ų10357.1 Ų57.155%0.55134%0.335SS*.EExtended strand (participates in β ladder)trans-83.4119.6174.7-171.8-32.2000108.9N257 A270N257-N268 WeakPolarHBondContact O-CA 3.45Å; N268-A270 VanDerWaalsContact OD1-CB 3.31Å; N268-A270 WeakPolarHBondContact OD1-CB 3.45Å; N268-A270 PolarHBondContact OD1-N 3.21Å; N268-A270 VanDerWaalsContact OD1-N 3.1Å
269V79.2Confident84.7Confident9 Ų955.5 Ų55.56%0.05533%0.325CS..  trans-108.554.2179.6-72.10000111.2N257 I259 W276 I355N257-V269 HydrophobicContact CB-CG2 4.47Å; N257-V269 WeakPolarHBondContact O-CG2 3.14Å; N257-V269 PolarHBondContact O-N 2.8Å; I259-V269 HydrophobicContact CD1-CB 4.28Å; I259-V269 HydrophobicContact CD1-CG1 3.74Å; I259-V269 HydrophobicContact CD1-CG2 3.64Å; I259-V269 HydrophobicContact CG1-CG1 4.33Å; I259-V269 HydrophobicContact CG1-CG2 3.7Å; V269-W276 HydrophobicContact CB-CD2 3.83Å; V269-W276 HydrophobicContact CB-CE3 4.3Å; V269-W276 HydrophobicContact CB-CG 4.16Å; V269-W276 HydrophobicContact CB-CH2 4.37Å; V269-W276 HydrophobicContact CB-CZ2 3.9Å; V269-W276 HydrophobicContact CG1-CD2 3.77Å; V269-W276 HydrophobicContact CG1-CE3 3.73Å; V269-W276 HydrophobicContact CG1-CG 4.36Å; V269-W276 HydrophobicContact CG1-CH2 4.06Å; V269-W276 HydrophobicContact CG1-CZ2 4.09Å; V269-W276 HydrophobicContact CG1-CZ3 3.88Å; V269-W276 HydrophobicContact CG2-CZ2 4.19Å; V269-I355 HydrophobicContact CG1-CD1 4.42Å
270A74.2Confident84.9Confident36 Ų3656 Ų5630%0.29833%0.327SS..  trans-75.7162.2175.100000112.5N268 G272 D273N268-A270 VanDerWaalsContact OD1-CB 3.31Å; N268-A270 WeakPolarHBondContact OD1-CB 3.45Å; N268-A270 PolarHBondContact OD1-N 3.21Å; N268-A270 VanDerWaalsContact OD1-N 3.1Å; A270-G272 PolarHBondContact O-N 2.89Å; A270-D273 PolarHBondContact O-N 3.23Å; A270-D273 VanDerWaalsContact O-N 3.11Å
271D75.7Confident85.2Confident16 Ų1655 Ų559%0.08632%0.322CS..THydrogen-bonded Turntrans-58.5-13.5171.7-152.558.5000112I4 S137 D273 K277 R280I4-D271 HydrophobicContact CD1-CB 4Å; S137-D271 PolarHBondContact N-OD2 3.17Å; S137-D271 PolarHBondContact OG-OD2 2.94Å; D271-D273 VanDerWaalsContact C-N 3.34Å; D271-K277 VanDerWaalsContact CG-NZ 3.3Å; D271-K277 WeakPolarHBondContact O-CD 3.37Å; D271-K277 WeakPolarHBondContact O-CE 3.5Å; D271-K277 PolarHBondContact O-NZ 2.86Å; D271-K277 WeakPolarHBondContact OD1-CE 3.39Å; D271-K277 IonicContact OD1-NZ 3.01Å; D271-K277 WeakPolarHBondContact OD2-CE 3.46Å; D271-K277 IonicContact OD2-NZ 3.17Å; D271-K277 PolarHBondContact OD2-NZ 2.84Å; D271-R280 IonicContact OD1-CZ 2.71Å; D271-R280 IonicContact OD1-NH1 2.71Å; D271-R280 PolarHBondContact OD1-NH1 3.14Å; D271-R280 IonicContact OD1-NH2 3.86Å
272G76.8Confident85.6Confident77 Ų7757.1 Ų57.179%0.79433%0.333SS*.THydrogen-bonded Turntrans-72.4-20.3175.400000115.1A270 A274A270-G272 PolarHBondContact O-N 2.89Å; G272-A274 PolarHBondContact O-N 3.5Å
273D84.4Confident86.5Confident42 Ų4255.5 Ų55.523%0.22532%0.319CS..  trans-85.1113.3-178.8-173.7-29.1000110.7A270 D271 L275 W276 K277 S348A270-D273 PolarHBondContact O-N 3.23Å; A270-D273 VanDerWaalsContact O-N 3.11Å; D271-D273 VanDerWaalsContact C-N 3.34Å; D273-L275 VanDerWaalsContact C-N 3.34Å; D273-L275 PolarHBondContact O-N 3.13Å; D273-L275 WeakPolarHBondContact OD1-CA 3.29Å; D273-L275 WeakPolarHBondContact OD1-CB 3.28Å; D273-L275 PolarHBondContact OD1-N 2.98Å; D273-W276 HydrophobicContact CB-CB 3.84Å; D273-W276 PolarHBondContact O-N 2.93Å; D273-W276 PolarHBondContact OD1-N 3.04Å; D273-W276 VanDerWaalsContact OD1-N 3.15Å; D273-K277 WeakPolarHBondContact O-CG 3.49Å; D273-K277 PolarHBondContact O-N 3.47Å; D273-S348 VanDerWaalsContact CG-OG 3.26Å; D273-S348 PolarHBondContact OD1-OG 2.86Å; D273-S348 WeakPolarHBondContact OD2-CB 3.16Å; D273-S348 PolarHBondContact OD2-OG 3.29Å
274A87.2Confident87.6Confident77 Ų7752.8 Ų52.864%0.63629%0.289SS*.Hα-helixtrans-63.9-36.7-178.900000112.9G272 K277 E278G272-A274 PolarHBondContact O-N 3.5Å; A274-K277 PolarHBondContact O-N 3.37Å; A274-E278 PolarHBondContact O-N 3.18Å; A274-E278 VanDerWaalsContact O-N 3.1Å
275L90.6Very high88.4Confident12 Ų1248 Ų486%0.06327%0.268CS..Hα-helixtrans-68.2-44.5178.3-173.373.1000110.1D273 K277 E278 F279 Y349 A352D273-L275 VanDerWaalsContact C-N 3.34Å; D273-L275 PolarHBondContact O-N 3.13Å; D273-L275 WeakPolarHBondContact OD1-CA 3.29Å; D273-L275 WeakPolarHBondContact OD1-CB 3.28Å; D273-L275 PolarHBondContact OD1-N 2.98Å; L275-K277 VanDerWaalsContact C-N 3.35Å; L275-K277 PolarHBondContact O-N 3.44Å; L275-E278 WeakPolarHBondContact O-CB 3.12Å; L275-E278 PolarHBondContact O-N 2.92Å; L275-F279 HydrophobicContact CD1-CD2 3.9Å; L275-F279 HydrophobicContact CD1-CE2 3.56Å; L275-F279 HydrophobicContact CG-CD2 4.09Å; L275-F279 HydrophobicContact CG-CE2 4.24Å; L275-F279 WeakPolarHBondContact O-CD2 3.26Å; L275-F279 PolarHBondContact O-N 3.34Å; L275-Y349 HydrophobicContact CD1-CD1 4Å; L275-Y349 HydrophobicContact CD1-CE1 3.41Å; L275-Y349 VanDerWaalsContact CD1-CE1 3.41Å; L275-Y349 HydrophobicContact CD1-CE2 4.49Å; L275-Y349 HydrophobicContact CD2-CD1 3.58Å; L275-Y349 HydrophobicContact CD2-CD2 4.35Å; L275-Y349 HydrophobicContact CD2-CE1 3.9Å; L275-Y349 HydrophobicContact CD2-CG 3.84Å; L275-Y349 HydrophobicContact CG-CD1 4.48Å; L275-Y349 HydrophobicContact CG-CE1 4.32Å; L275-A352 HydrophobicContact CD2-CB 3.89Å
276W91.4Very high88.9Confident11 Ų1143.8 Ų43.84%0.04226%0.256CS..Hα-helixtrans-60-46.4175.9-178.4-112.2000111.4L244 Q245 I259 V269 D273 E278 F279 R280L244-W276 HydrophobicContact CD2-CE3 4.27Å; L244-W276 HydrophobicContact CD2-CH2 4.47Å; L244-W276 HydrophobicContact CD2-CZ3 3.81Å; L244-W276 HydrophobicContact CG-CH2 4.23Å; L244-W276 HydrophobicContact CG-CZ3 4Å; Q245-W276 HydrophobicContact CB-CH2 4.33Å; Q245-W276 HydrophobicContact CB-CZ2 3.83Å; Q245-W276 HydrophobicContact CG-CZ2 3.89Å; I259-W276 HydrophobicContact CD1-CH2 3.88Å; I259-W276 HydrophobicContact CD1-CZ2 4.43Å; I259-W276 HydrophobicContact CD1-CZ3 4.44Å; V269-W276 HydrophobicContact CB-CD2 3.83Å; V269-W276 HydrophobicContact CB-CE3 4.3Å; V269-W276 HydrophobicContact CB-CG 4.16Å; V269-W276 HydrophobicContact CB-CH2 4.37Å; V269-W276 HydrophobicContact CB-CZ2 3.9Å; V269-W276 HydrophobicContact CG1-CD2 3.77Å; V269-W276 HydrophobicContact CG1-CE3 3.73Å; V269-W276 HydrophobicContact CG1-CG 4.36Å; V269-W276 HydrophobicContact CG1-CH2 4.06Å; V269-W276 HydrophobicContact CG1-CZ2 4.09Å; V269-W276 HydrophobicContact CG1-CZ3 3.88Å; V269-W276 HydrophobicContact CG2-CZ2 4.19Å; D273-W276 HydrophobicContact CB-CB 3.84Å; D273-W276 PolarHBondContact O-N 2.93Å; D273-W276 PolarHBondContact OD1-N 3.04Å; D273-W276 VanDerWaalsContact OD1-N 3.15Å; W276-E278 VanDerWaalsContact C-N 3.25Å; W276-E278 PolarHBondContact O-N 3.03Å; W276-F279 PolarHBondContact O-N 3.45Å; W276-R280 HydrophobicContact CD2-CB 4.25Å; W276-R280 HydrophobicContact CZ2-CB 4.31Å; W276-R280 WeakPolarHBondContact O-CB 3.37Å; W276-R280 WeakPolarHBondContact O-CG 3.46Å; W276-R280 PolarHBondContact O-N 2.79Å
277K91.1Very high89.4Confident82 Ų8237.8 Ų37.836%0.35723%0.23SC..Hα-helixtrans-55.7-38.9175.5-83.9179.9152.7159.70113.3D271 D273 A274 L275D271-K277 VanDerWaalsContact CG-NZ 3.3Å; D271-K277 WeakPolarHBondContact O-CD 3.37Å; D271-K277 WeakPolarHBondContact O-CE 3.5Å; D271-K277 PolarHBondContact O-NZ 2.86Å; D271-K277 WeakPolarHBondContact OD1-CE 3.39Å; D271-K277 IonicContact OD1-NZ 3.01Å; D271-K277 WeakPolarHBondContact OD2-CE 3.46Å; D271-K277 IonicContact OD2-NZ 3.17Å; D271-K277 PolarHBondContact OD2-NZ 2.84Å; D273-K277 WeakPolarHBondContact O-CG 3.49Å; D273-K277 PolarHBondContact O-N 3.47Å; A274-K277 PolarHBondContact O-N 3.37Å; L275-K277 VanDerWaalsContact C-N 3.35Å; L275-K277 PolarHBondContact O-N 3.44Å
278E92.4Very high89.8Confident87 Ų8740.2 Ų40.241%0.40724%0.244SC..Hα-helixtrans-65.6-44.5178.5-174-177.8155.800111.8A274 L275 W276 Q282 R294A274-E278 PolarHBondContact O-N 3.18Å; A274-E278 VanDerWaalsContact O-N 3.1Å; L275-E278 WeakPolarHBondContact O-CB 3.12Å; L275-E278 PolarHBondContact O-N 2.92Å; W276-E278 VanDerWaalsContact C-N 3.25Å; W276-E278 PolarHBondContact O-N 3.03Å; E278-Q282 PolarHBondContact O-NE2 3.26Å; E278-R294 IonicContact OE1-NE 2.8Å
279F95Very high90.4Very high5 Ų543.4 Ų43.42%0.02225%0.248CC..Hα-helixtrans-97.4-22.6-170.6-72.1-66.8000115.5L244 L275 W276 H281 Q282 V287 A290 L291 R294L244-F279 HydrophobicContact CD2-CB 3.81Å; L275-F279 HydrophobicContact CD1-CD2 3.9Å; L275-F279 HydrophobicContact CD1-CE2 3.56Å; L275-F279 HydrophobicContact CG-CD2 4.09Å; L275-F279 HydrophobicContact CG-CE2 4.24Å; L275-F279 WeakPolarHBondContact O-CD2 3.26Å; L275-F279 PolarHBondContact O-N 3.34Å; W276-F279 PolarHBondContact O-N 3.45Å; F279-H281 PolarHBondContact O-N 3.11Å; F279-Q282 WeakPolarHBondContact O-CB 3.24Å; F279-Q282 PolarHBondContact O-N 3.32Å; F279-V287 HydrophobicContact CB-CG1 4.49Å; F279-V287 HydrophobicContact CB-CG2 4.36Å; F279-V287 HydrophobicContact CD1-CB 4.44Å; F279-V287 HydrophobicContact CD1-CG1 4.15Å; F279-V287 HydrophobicContact CD1-CG2 4.05Å; F279-V287 HydrophobicContact CG-CG1 4.42Å; F279-A290 HydrophobicContact CE1-CB 3.91Å; F279-A290 HydrophobicContact CZ-CB 4.4Å; F279-L291 HydrophobicContact CE2-CD1 4.08Å; F279-R294 HydrophobicContact CZ-CB 4.47Å
280R95.1Very high91.1Very high10 Ų1044.6 Ų44.64%0.03826%0.259CS..THydrogen-bonded Turntrans-53.8-32-16962.9173.8-166.7-161-1.5115.2E136 Q245 D271 W276 Y630E136-R280 IonicContact OE1-CZ 3.78Å; E136-R280 IonicContact OE1-NH1 3.84Å; E136-R280 PolarHBondContact OE1-NH1 2.8Å; E136-R280 IonicContact OE2-CZ 3.7Å; E136-R280 IonicContact OE2-NE 3.55Å; E136-R280 IonicContact OE2-NH1 2.88Å; E136-R280 PolarHBondContact OE2-NH1 3.25Å; E136-R280 VanDerWaalsContact OE2-NH1 3.17Å; E136-R280 IonicContact OE2-NH2 3.82Å; E136-R280 PolarHBondContact OE2-NH2 3.35Å; E136-R280 VanDerWaalsContact OE2-NH2 3.16Å; Q245-R280 HydrophobicContact CB-CB 3.87Å; Q245-R280 VanDerWaalsContact CB-O 3.29Å; Q245-R280 WeakPolarHBondContact CB-O 3.04Å; Q245-R280 PolarHBondContact N-O 3.35Å; D271-R280 IonicContact OD1-CZ 2.71Å; D271-R280 IonicContact OD1-NH1 2.71Å; D271-R280 PolarHBondContact OD1-NH1 3.14Å; D271-R280 IonicContact OD1-NH2 3.86Å; W276-R280 HydrophobicContact CD2-CB 4.25Å; W276-R280 HydrophobicContact CZ2-CB 4.31Å; W276-R280 WeakPolarHBondContact O-CB 3.37Å; W276-R280 WeakPolarHBondContact O-CG 3.46Å; W276-R280 PolarHBondContact O-N 2.79Å; R280-Y630 VanDerWaalsContact NH2-CE1 3.26Å; R280-Y630 PolarHBondContact NH2-OH 3.01Å
281H96.6Very high91.9Very high35 Ų3543.1 Ų43.116%0.16225%0.246CC..THydrogen-bonded Turntrans-99.3-3.7-177.6-64.4-27.8000113.9T243 Q245 F279 R627 Y630T243-H281 WeakPolarHBondContact CG2-O 3.25Å; Q245-H281 PolarHBondContact OE1-CE1 3.12Å; F279-H281 PolarHBondContact O-N 3.11Å; H281-R627 HydrophobicContact CB-CG 3.94Å; H281-Y630 AromaticContact CD2-CG 3.99Å; H281-Y630 AromaticContact CE1-CD2 3.74Å; H281-Y630 AromaticContact NE2-CD2 3.2Å; H281-Y630 WeakPolarHBondContact NE2-CD2 3.45Å; H281-Y630 AromaticContact NE2-CE2 3.61Å; H281-Y630 AromaticContact NE2-CG 3.47Å
282Q96.9Very high92.5Very high66 Ų6644.1 Ų44.131%0.30825%0.253SS..SBendtrans-81.6152.1179.3-61.5-173.43200111.1T243 L244 E278 F279 V287T243-Q282 VanDerWaalsContact CA-O 3.26Å; T243-Q282 WeakPolarHBondContact CA-O 3.47Å; T243-Q282 WeakPolarHBondContact CB-O 3.49Å; L244-Q282 PolarHBondContact N-O 3.48Å; E278-Q282 PolarHBondContact O-NE2 3.26Å; F279-Q282 WeakPolarHBondContact O-CB 3.24Å; F279-Q282 PolarHBondContact O-N 3.32Å; Q282-V287 HydrophobicContact CB-CG2 3.72Å
283H97.6Very high93.1Very high26 Ų2645.2 Ų45.212%0.1224%0.238CC..BIsolated β-bridgetrans-68.6138.8175.2-172.7-92000110.1A285 D286 V287 Y515 S518H283-A285 VanDerWaalsContact ND1-CB 3.34Å; H283-A285 WeakPolarHBondContact ND1-CB 3.23Å; H283-A285 PolarHBondContact ND1-N 3.39Å; H283-A285 PolarHBondContact O-N 3.31Å; H283-A285 VanDerWaalsContact O-N 3.07Å; H283-D286 PolarHBondContact O-N 3.46Å; H283-V287 PolarHBondContact O-N 3.23Å; H283-Y515 HydrophobicContact CB-CD2 4.06Å; H283-Y515 HydrophobicContact CB-CE2 3.66Å; H283-Y515 AromaticContact CD2-CD2 3.62Å; H283-Y515 AromaticContact CE1-CD1 3.77Å; H283-Y515 AromaticContact CE1-CD2 3.75Å; H283-Y515 AromaticContact CE1-CG 3.6Å; H283-Y515 AromaticContact CG-CD2 3.49Å; H283-Y515 VanDerWaalsContact CG-CD2 3.49Å; H283-Y515 AromaticContact CG-CE2 3.47Å; H283-Y515 VanDerWaalsContact CG-CE2 3.47Å; H283-Y515 AromaticContact ND1-CD2 3.57Å; H283-Y515 AromaticContact ND1-CE1 3.89Å; H283-Y515 AromaticContact ND1-CE2 3.44Å; H283-Y515 WeakPolarHBondContact ND1-CE2 3.16Å; H283-Y515 AromaticContact ND1-CG 3.85Å; H283-Y515 AromaticContact ND1-CZ 3.61Å; H283-Y515 AromaticContact NE2-CD2 3.78Å; H283-Y515 AromaticContact NE2-CG 3.73Å; H283-S518 PolarHBondContact NE2-OG 3.44Å
284V96.9Very high93.3Very high5 Ų547.7 Ų47.73%0.0324%0.244CC..Hα-helixtrans-58.5-29.1-172.571.20000113.2L242 M247 V287 T288 V356 M360L242-V284 HydrophobicContact CB-CG1 4.38Å; L242-V284 PolarHBondContact O-N 3Å; M247-V284 HydrophobicContact SD-CB 3.9Å; M247-V284 HydrophobicContact SD-CG1 3.93Å; M247-V284 HydrophobicContact SD-CG2 3.89Å; V284-V287 PolarHBondContact O-N 3.43Å; V284-T288 WeakPolarHBondContact O-CB 3.22Å; V284-T288 PolarHBondContact O-N 3.13Å; V284-T288 PolarHBondContact O-OG1 2.94Å; V284-V356 HydrophobicContact CG2-CG1 4.45Å; V284-M360 HydrophobicContact CB-SD 4.4Å; V284-M360 HydrophobicContact CG1-SD 3.92Å; V284-M360 HydrophobicContact CG2-CG 4.14Å; V284-M360 HydrophobicContact CG2-SD 3.56Å; V284-M360 VanDerWaalsContact CG2-SD 3.56Å
285A95.6Very high93.1Very high34 Ų3444.7 Ų44.728%0.28122%0.218SC..Hα-helixtrans-64.2-39.5174.500000112.6H283 R289 Y515H283-A285 VanDerWaalsContact ND1-CB 3.34Å; H283-A285 WeakPolarHBondContact ND1-CB 3.23Å; H283-A285 PolarHBondContact ND1-N 3.39Å; H283-A285 PolarHBondContact O-N 3.31Å; H283-A285 VanDerWaalsContact O-N 3.07Å; A285-R289 PolarHBondContact O-N 2.87Å; A285-Y515 HydrophobicContact CB-CE1 3.85Å
286D96.6Very high92.7Very high48 Ų4848.7 Ų48.726%0.25723%0.232SC..Hα-helixtrans-74.5-40.3176.8-67-47.7000110.8H283 T288 R289 A290 Y515H283-D286 PolarHBondContact O-N 3.46Å; D286-T288 VanDerWaalsContact C-N 3.33Å; D286-T288 PolarHBondContact O-N 3.36Å; D286-R289 PolarHBondContact O-N 3.36Å; D286-R289 VanDerWaalsContact O-N 3.1Å; D286-R289 IonicContact OD1-CZ 3.22Å; D286-R289 IonicContact OD1-NH1 2.71Å; D286-R289 PolarHBondContact OD1-NH1 2.77Å; D286-A290 WeakPolarHBondContact O-CB 3.29Å; D286-A290 PolarHBondContact O-N 3.29Å; D286-Y515 PolarHBondContact OD1-OH 3.22Å; D286-Y515 PolarHBondContact OD2-OH 3.38Å
287V96.6Very high92.5Very high1 Ų151.5 Ų51.51%0.00625%0.246CC..Hα-helixtrans-58-46.5174.1-1790000110.8L244 F279 Q282 H283 V284 R289 A290 L291 V356L244-V287 HydrophobicContact CB-CG2 4.32Å; L244-V287 HydrophobicContact CD2-CG1 4.23Å; L244-V287 HydrophobicContact CD2-CG2 4.49Å; F279-V287 HydrophobicContact CB-CG1 4.49Å; F279-V287 HydrophobicContact CB-CG2 4.36Å; F279-V287 HydrophobicContact CD1-CB 4.44Å; F279-V287 HydrophobicContact CD1-CG1 4.15Å; F279-V287 HydrophobicContact CD1-CG2 4.05Å; F279-V287 HydrophobicContact CG-CG1 4.42Å; Q282-V287 HydrophobicContact CB-CG2 3.72Å; H283-V287 PolarHBondContact O-N 3.23Å; V284-V287 PolarHBondContact O-N 3.43Å; V287-R289 PolarHBondContact O-N 2.9Å; V287-A290 PolarHBondContact O-N 2.9Å; V287-L291 HydrophobicContact CG1-CB 4.37Å; V287-L291 WeakPolarHBondContact O-CB 3.45Å; V287-L291 PolarHBondContact O-N 3.31Å; V287-V356 HydrophobicContact CG1-CG2 3.66Å
288T94.3Very high92.1Very high63 Ų6348.2 Ų48.239%0.38723%0.232SC..Hα-helixtrans-62.3-28.7179.6-56.60000112.1V284 D286 P292V284-T288 WeakPolarHBondContact O-CB 3.22Å; V284-T288 PolarHBondContact O-N 3.13Å; V284-T288 PolarHBondContact O-OG1 2.94Å; D286-T288 VanDerWaalsContact C-N 3.33Å; D286-T288 PolarHBondContact O-N 3.36Å; T288-P292 VanDerWaalsContact O-CD 3.24Å; T288-P292 WeakPolarHBondContact O-CD 3.39Å; T288-P292 WeakPolarHBondContact O-CG 3.49Å
289R93.7Very high91.5Very high169 Ų16944.7 Ų44.764%0.63822%0.217SC*.Hα-helixtrans-81.1-45.4176.2-166.7-172.9-591223.8111.9A285 D286 V287A285-R289 PolarHBondContact O-N 2.87Å; D286-R289 PolarHBondContact O-N 3.36Å; D286-R289 VanDerWaalsContact O-N 3.1Å; D286-R289 IonicContact OD1-CZ 3.22Å; D286-R289 IonicContact OD1-NH1 2.71Å; D286-R289 PolarHBondContact OD1-NH1 2.77Å; V287-R289 PolarHBondContact O-N 2.9Å
290A94.8Very high90.8Very high35 Ų3549.9 Ų49.929%0.28924%0.242SC..Hα-helixtrans-80.9-39.3-171.300000113.2F279 D286 V287 Q293 R294F279-A290 HydrophobicContact CE1-CB 3.91Å; F279-A290 HydrophobicContact CZ-CB 4.4Å; D286-A290 WeakPolarHBondContact O-CB 3.29Å; D286-A290 PolarHBondContact O-N 3.29Å; V287-A290 PolarHBondContact O-N 2.9Å; A290-Q293 WeakPolarHBondContact O-CB 3.46Å; A290-Q293 PolarHBondContact O-N 2.8Å; A290-Q293 VanDerWaalsContact O-N 3.12Å; A290-R294 PolarHBondContact O-N 2.79Å
291L91.3Very high90.2Very high4 Ų452 Ų522%0.02126%0.258CS..Hα-helixtrans-60.7-46.1-173.1-179.363.5000113.1F279 V287 Q293 R294 V295 Y349 A352 V356F279-L291 HydrophobicContact CE2-CD1 4.08Å; V287-L291 HydrophobicContact CG1-CB 4.37Å; V287-L291 WeakPolarHBondContact O-CB 3.45Å; V287-L291 PolarHBondContact O-N 3.31Å; L291-Q293 VanDerWaalsContact C-N 3.26Å; L291-Q293 PolarHBondContact O-N 3.33Å; L291-R294 PolarHBondContact O-N 2.98Å; L291-R294 VanDerWaalsContact O-N 3.14Å; L291-V295 HydrophobicContact CD1-CG2 4.37Å; L291-V295 VanDerWaalsContact O-CG2 3.31Å; L291-V295 WeakPolarHBondContact O-CG2 3.44Å; L291-V295 PolarHBondContact O-N 2.96Å; L291-Y349 HydrophobicContact CD1-CD1 4.25Å; L291-A352 HydrophobicContact CD1-CB 4.36Å; L291-A352 HydrophobicContact CD2-CB 4.15Å; L291-V356 HydrophobicContact CD2-CG2 4.1Å
292P87.6Confident89.2Confident37 Ų3751.9 Ų51.924%0.2426%0.257CS..Hα-helixtrans-60.4-34.9176-24.235.1000113.3T288 R296 Y353T288-P292 VanDerWaalsContact O-CD 3.24Å; T288-P292 WeakPolarHBondContact O-CD 3.39Å; T288-P292 WeakPolarHBondContact O-CG 3.49Å; P292-R296 WeakPolarHBondContact O-CG 3.32Å; P292-R296 PolarHBondContact O-N 2.98Å; P292-R296 PolarHBondContact O-NH1 2.81Å; P292-Y353 HydrophobicContact CG-CE2 4.36Å
293Q89Confident88Confident100 Ų10054.4 Ų54.447%0.46727%0.267SS..Hα-helixtrans-67.9-45174.9178.8179.1-15.100110.9A290 L291 V295 R296 E297A290-Q293 WeakPolarHBondContact O-CB 3.46Å; A290-Q293 PolarHBondContact O-N 2.8Å; A290-Q293 VanDerWaalsContact O-N 3.12Å; L291-Q293 VanDerWaalsContact C-N 3.26Å; L291-Q293 PolarHBondContact O-N 3.33Å; Q293-V295 VanDerWaalsContact C-N 3.28Å; Q293-V295 PolarHBondContact O-N 3.37Å; Q293-R296 WeakPolarHBondContact O-CB 3.35Å; Q293-R296 PolarHBondContact O-N 3.26Å; Q293-E297 HydrophobicContact CG-CG 4.42Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.42Å; Q293-E297 PolarHBondContact NE2-OE1 3.22Å; Q293-E297 WeakPolarHBondContact O-CG 3.38Å; Q293-E297 PolarHBondContact O-N 3.48Å
294R88.5Confident86.5Confident95 Ų9559.5 Ų59.536%0.35829%0.291SS..Hα-helixtrans-60.2-39178.8-155.273.5179.5115.65112.5E278 F279 A290 L291 E297 F298 Y349E278-R294 IonicContact OE1-NE 2.8Å; F279-R294 HydrophobicContact CZ-CB 4.47Å; A290-R294 PolarHBondContact O-N 2.79Å; L291-R294 PolarHBondContact O-N 2.98Å; L291-R294 VanDerWaalsContact O-N 3.14Å; R294-E297 IonicContact CZ-OE2 3Å; R294-E297 IonicContact NH1-OE2 3.4Å; R294-E297 PolarHBondContact NH1-OE2 2.78Å; R294-E297 PolarHBondContact O-N 3.41Å; R294-F298 WeakPolarHBondContact O-CB 2.95Å; R294-F298 PolarHBondContact O-N 3.42Å; R294-Y349 HydrophobicContact CB-CE1 4.12Å; R294-Y349 HydrophobicContact CG-CE1 3.84Å
295V83.2Confident84.9Confident14 Ų1465.1 Ų65.19%0.08532%0.315CS..Hα-helixtrans-62.1-41.7174173.50000111.5L291 Q293 F298 A299 L332 Y349L291-V295 HydrophobicContact CD1-CG2 4.37Å; L291-V295 VanDerWaalsContact O-CG2 3.31Å; L291-V295 WeakPolarHBondContact O-CG2 3.44Å; L291-V295 PolarHBondContact O-N 2.96Å; Q293-V295 VanDerWaalsContact C-N 3.28Å; Q293-V295 PolarHBondContact O-N 3.37Å; V295-F298 PolarHBondContact O-N 3.33Å; V295-A299 PolarHBondContact O-N 3Å; V295-L332 HydrophobicContact CG1-CD1 3.96Å; V295-L332 HydrophobicContact CG1-CD2 4.35Å; V295-Y349 HydrophobicContact CB-CD1 4.47Å; V295-Y349 HydrophobicContact CG2-CD1 3.52Å; V295-Y349 HydrophobicContact CG2-CE1 4.25Å; V295-Y349 HydrophobicContact CG2-CG 4.21Å
296R82.6Confident83.2Confident96 Ų9665 Ų6536%0.36231%0.311SS..Hα-helixtrans-65.7-48.6176.6-73.4-171.4-64.8-89.82.5112P292 Q293 F298 A299 E300 V327P292-R296 WeakPolarHBondContact O-CG 3.32Å; P292-R296 PolarHBondContact O-N 2.98Å; P292-R296 PolarHBondContact O-NH1 2.81Å; Q293-R296 WeakPolarHBondContact O-CB 3.35Å; Q293-R296 PolarHBondContact O-N 3.26Å; R296-F298 PolarHBondContact O-N 3.07Å; R296-A299 PolarHBondContact O-N 2.93Å; R296-A299 VanDerWaalsContact O-N 3.1Å; R296-E300 WeakPolarHBondContact O-CB 3.43Å; R296-E300 WeakPolarHBondContact O-CG 3.24Å; R296-E300 PolarHBondContact O-N 3.12Å; R296-V327 HydrophobicContact CG-CB 3.84Å; R296-V327 HydrophobicContact CG-CG1 4.23Å; R296-V327 HydrophobicContact CG-CG2 4.01Å
297E86.5Confident81.5Confident69 Ų6968.7 Ų68.732%0.32233%0.326SS..Hα-helixtrans-57.1-40.9177.2-70.9170.4-173.800111.5Q293 R294 S301Q293-E297 HydrophobicContact CG-CG 4.42Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.42Å; Q293-E297 PolarHBondContact NE2-OE1 3.22Å; Q293-E297 WeakPolarHBondContact O-CG 3.38Å; Q293-E297 PolarHBondContact O-N 3.48Å; R294-E297 IonicContact CZ-OE2 3Å; R294-E297 IonicContact NH1-OE2 3.4Å; R294-E297 PolarHBondContact NH1-OE2 2.78Å; R294-E297 PolarHBondContact O-N 3.41Å; E297-S301 WeakPolarHBondContact O-CB 3.2Å; E297-S301 PolarHBondContact O-N 3.46Å
298F83.3Confident79.6Confident14 Ų1476.5 Ų76.56%0.06136%0.36CS..Hα-helixtrans-61.4-52.3173.5174.2-103.5000111.5R294 V295 R296 E300 S301 K302 L332 L335 E345 Y349R294-F298 WeakPolarHBondContact O-CB 2.95Å; R294-F298 PolarHBondContact O-N 3.42Å; V295-F298 PolarHBondContact O-N 3.33Å; R296-F298 PolarHBondContact O-N 3.07Å; F298-E300 VanDerWaalsContact C-N 3.34Å; F298-E300 PolarHBondContact O-N 3.31Å; F298-S301 PolarHBondContact O-N 3.05Å; F298-K302 HydrophobicContact CD2-CG 4.29Å; F298-K302 HydrophobicContact CE2-CD 4.43Å; F298-K302 HydrophobicContact CE2-CG 3.96Å; F298-K302 HydrophobicContact CZ-CG 4.16Å; F298-K302 WeakPolarHBondContact O-CG 3.48Å; F298-K302 PolarHBondContact O-N 3.45Å; F298-K302 VanDerWaalsContact O-N 3.1Å; F298-L332 HydrophobicContact CD1-CD1 4.23Å; F298-L332 HydrophobicContact CE1-CD1 4.41Å; F298-L335 HydrophobicContact CD1-CD2 4.22Å; F298-L335 HydrophobicContact CE1-CD2 3.81Å; F298-E345 HydrophobicContact CE2-CB 4.15Å; F298-E345 VanDerWaalsContact CE2-OE2 3.26Å; F298-E345 WeakPolarHBondContact CE2-OE2 3.44Å; F298-E345 HydrophobicContact CZ-CB 4.07Å; F298-Y349 HydrophobicContact CB-CE2 4Å; F298-Y349 HydrophobicContact CD1-CD2 4.11Å; F298-Y349 HydrophobicContact CD1-CE2 4.17Å; F298-Y349 HydrophobicContact CD2-CD2 4.48Å; F298-Y349 AromaticContact CD2-CE2 3.83Å; F298-Y349 HydrophobicContact CD2-CE2 3.83Å; F298-Y349 HydrophobicContact CE1-CD2 4.4Å; F298-Y349 HydrophobicContact CE2-CE2 4.35Å; F298-Y349 HydrophobicContact CG-CD2 4.14Å; F298-Y349 AromaticContact CG-CE2 3.72Å; F298-Y349 HydrophobicContact CG-CE2 3.72Å
299A79.1Confident77.5Confident13 Ų1379.3 Ų79.311%0.10737%0.369CS..Hα-helixtrans-60.8-40.9-17900000112.8V295 R296 K303 L335V295-A299 PolarHBondContact O-N 3Å; R296-A299 PolarHBondContact O-N 2.93Å; R296-A299 VanDerWaalsContact O-N 3.1Å; A299-K303 PolarHBondContact O-N 2.77Å; A299-L335 HydrophobicContact CB-CD1 4.4Å; A299-L335 HydrophobicContact CB-CD2 4.29Å
300E81.2Confident75.5Confident114 Ų11476.3 Ų76.353%0.53336%0.363SS..Hα-helixtrans-68.4-47.8177.9-72.6172.2-175.400112R296 F298 K302 K303 Q304R296-E300 WeakPolarHBondContact O-CB 3.43Å; R296-E300 WeakPolarHBondContact O-CG 3.24Å; R296-E300 PolarHBondContact O-N 3.12Å; F298-E300 VanDerWaalsContact C-N 3.34Å; F298-E300 PolarHBondContact O-N 3.31Å; E300-K302 PolarHBondContact O-N 3.18Å; E300-K303 PolarHBondContact O-N 2.88Å; E300-Q304 PolarHBondContact O-N 3.24Å; E300-Q304 VanDerWaalsContact O-N 3.16Å
301S81.6Confident73.5Confident54 Ų5478.6 Ų78.638%0.37838%0.381SS..Hα-helixtrans-54.4-38.2176.2169.70000111.5E297 F298 F305E297-S301 WeakPolarHBondContact O-CB 3.2Å; E297-S301 PolarHBondContact O-N 3.46Å; F298-S301 PolarHBondContact O-N 3.05Å; S301-F305 WeakPolarHBondContact O-CD2 3.2Å
302K75.4Confident71.3Confident32 Ų3285.6 Ų85.614%0.13942%0.419CS..Hα-helixtrans-83.8-31-179.8-57.4-48.3-177.2174.90113.7F298 E300 Q304 F305 V306 M339 Y342F298-K302 HydrophobicContact CD2-CG 4.29Å; F298-K302 HydrophobicContact CE2-CD 4.43Å; F298-K302 HydrophobicContact CE2-CG 3.96Å; F298-K302 HydrophobicContact CZ-CG 4.16Å; F298-K302 WeakPolarHBondContact O-CG 3.48Å; F298-K302 PolarHBondContact O-N 3.45Å; F298-K302 VanDerWaalsContact O-N 3.1Å; E300-K302 PolarHBondContact O-N 3.18Å; K302-Q304 VanDerWaalsContact C-N 3.29Å; K302-Q304 PolarHBondContact O-N 3.29Å; K302-F305 WeakPolarHBondContact O-CB 3.46Å; K302-F305 PolarHBondContact O-N 3.41Å; K302-F305 VanDerWaalsContact O-N 3.1Å; K302-V306 PolarHBondContact O-N 2.87Å; K302-V306 VanDerWaalsContact O-N 3.16Å; K302-M339 HydrophobicContact CB-CE 4.11Å; K302-M339 HydrophobicContact CB-SD 3.96Å; K302-Y342 HydrophobicContact CB-CE2 4.45Å; K302-Y342 HydrophobicContact CD-CD2 4.34Å; K302-Y342 HydrophobicContact CD-CE1 4.13Å; K302-Y342 HydrophobicContact CD-CE2 3.92Å; K302-Y342 HydrophobicContact CG-CD2 4.31Å; K302-Y342 HydrophobicContact CG-CE2 4.26Å
303K72.2Confident69.3Low120 Ų12089.7 Ų89.752%0.52244%0.437SS..Hα-helixtrans-58-43171.2-90-174.5178.7178.70111.8A299 E300 F305 V306 E307A299-K303 PolarHBondContact O-N 2.77Å; E300-K303 PolarHBondContact O-N 2.88Å; K303-F305 PolarHBondContact O-N 3.28Å; K303-V306 PolarHBondContact O-N 3.27Å; K303-E307 PolarHBondContact O-N 3.27Å
304Q65.7Low66.9Low132 Ų13292 Ų9262%0.61745%0.453SS*.Hα-helixtrans-59.1-34.9175.7-77.4-179-18.500112.3E300 K302 F308E300-Q304 PolarHBondContact O-N 3.24Å; E300-Q304 VanDerWaalsContact O-N 3.16Å; K302-Q304 VanDerWaalsContact C-N 3.29Å; K302-Q304 PolarHBondContact O-N 3.29Å; Q304-F308 WeakPolarHBondContact O-CB 3.32Å; Q304-F308 WeakPolarHBondContact O-CD2 3.36Å; Q304-F308 PolarHBondContact O-N 3.45Å; Q304-F308 VanDerWaalsContact O-N 3.14Å
305F64.5Low64.6Low123 Ų12394.9 Ų94.954%0.53948%0.475SS..Hα-helixtrans-66.8-39.5173.9-94.4-88.3000112.7S301 K302 K303 F308 E309S301-F305 WeakPolarHBondContact O-CD2 3.2Å; K302-F305 WeakPolarHBondContact O-CB 3.46Å; K302-F305 PolarHBondContact O-N 3.41Å; K302-F305 VanDerWaalsContact O-N 3.1Å; K303-F305 PolarHBondContact O-N 3.28Å; F305-F308 WeakPolarHBondContact O-CB 3.28Å; F305-F308 PolarHBondContact O-N 3.34Å; F305-E309 PolarHBondContact O-N 3.32Å
306V59.9Low62.4Low32 Ų3299.2 Ų99.219%0.19450%0.502CS..Hα-helixtrans-73.7-38.7178.9173.30000112.4K302 K303 F308 E309 E310 M339K302-V306 PolarHBondContact O-N 2.87Å; K302-V306 VanDerWaalsContact O-N 3.16Å; K303-V306 PolarHBondContact O-N 3.27Å; V306-F308 PolarHBondContact O-N 3.1Å; V306-E309 PolarHBondContact O-N 2.96Å; V306-E309 VanDerWaalsContact O-N 3.12Å; V306-E310 HydrophobicContact CG1-CG 4.13Å; V306-E310 WeakPolarHBondContact O-CB 3.47Å; V306-E310 WeakPolarHBondContact O-CG 3.41Å; V306-E310 PolarHBondContact O-N 3.26Å; V306-M339 HydrophobicContact CB-CE 4.08Å; V306-M339 HydrophobicContact CG2-CE 3.21Å; V306-M339 HydrophobicContact CG2-CG 4Å; V306-M339 HydrophobicContact CG2-SD 3.49Å; V306-M339 WeakPolarHBondContact CG2-SD 3.46Å
307E61.2Low60.2Low126 Ų126100 Ų10059%0.58952%0.519SS*.Hα-helixtrans-61.4-32.6171.9-75.7175.1177.800111.4K303 A311K303-E307 PolarHBondContact O-N 3.27Å; E307-A311 WeakPolarHBondContact O-CB 3.41Å; E307-A311 PolarHBondContact O-N 2.96Å
308F55.5Low57.7Low164 Ų164102.4 Ų102.472%0.71954%0.543SS*.Hα-helixtrans-70.3-36.2172.1-103.1-89000113.8Q304 F305 V306Q304-F308 WeakPolarHBondContact O-CB 3.32Å; Q304-F308 WeakPolarHBondContact O-CD2 3.36Å; Q304-F308 PolarHBondContact O-N 3.45Å; Q304-F308 VanDerWaalsContact O-N 3.14Å; F305-F308 WeakPolarHBondContact O-CB 3.28Å; F305-F308 PolarHBondContact O-N 3.34Å; V306-F308 PolarHBondContact O-N 3.1Å
309E51.4Low55.5Low123 Ų123111.6 Ų111.658%0.57558%0.584SS**Hα-helixtrans-72.7-40.9174.9-78.3-173149.200112F305 V306 N312F305-E309 PolarHBondContact O-N 3.32Å; V306-E309 PolarHBondContact O-N 2.96Å; V306-E309 VanDerWaalsContact O-N 3.12Å; E309-N312 PolarHBondContact O-N 3.09Å
310E52Low53.3Low106 Ų106119.3 Ų119.350%0.49562%0.617SS.*Hα-helixtrans-72.7-31178.5-71-175.2169.200112.3V306 N312 I313V306-E310 HydrophobicContact CG1-CG 4.13Å; V306-E310 WeakPolarHBondContact O-CB 3.47Å; V306-E310 WeakPolarHBondContact O-CG 3.41Å; V306-E310 PolarHBondContact O-N 3.26Å; E310-N312 PolarHBondContact O-N 3.02Å; E310-N312 VanDerWaalsContact O-N 3.14Å; E310-I313 PolarHBondContact O-N 2.91Å; E310-I313 VanDerWaalsContact O-O 3.14Å
311A51.3Low51.1Low82 Ų82121.5 Ų121.568%0.67863%0.633SS**THydrogen-bonded Turntrans-64.8-13.8173.200000113.8E307E307-A311 WeakPolarHBondContact O-CB 3.41Å; E307-A311 PolarHBondContact O-N 2.96Å
312N45.6Very low48.8Very low151 Ų151124.7 Ų124.781%0.80765%0.65SS**THydrogen-bonded Turntrans-911.7173-111.8-6.7000113.4E309 E310E309-N312 PolarHBondContact O-N 3.09Å; E310-N312 PolarHBondContact O-N 3.02Å; E310-N312 VanDerWaalsContact O-N 3.14Å
313I44.8Very low46.9Very low123 Ų123130.3 Ų130.363%0.63168%0.681SS**SBendtrans-116.7104.4173.8-58178.2000107.1E310 N315E310-I313 PolarHBondContact O-N 2.91Å; E310-I313 VanDerWaalsContact O-O 3.14Å; I313-N315 PolarHBondContact O-N 3.27Å
314D39.4Very low45.4Very low149 Ų149131.3 Ų131.380%0.79769%0.686SS**SBendtrans-50.1124174.8-73.7-42.7000110.3
315N39.9Very low44.2Very low155 Ų155132.2 Ų132.283%0.82970%0.695SS**  trans94.780.9174.4-49.3-60.5000117.1I313I313-N315 PolarHBondContact O-N 3.27Å
316V36.4Very low43.2Very low106 Ų106131.8 Ų131.864%0.64270%0.702SS**  trans-132.8128.9144-174.20000109.6S318V316-S318 PolarHBondContact O-N 3.26Å
317P36.6Very low42.7Very low112 Ų112132.7 Ų132.773%0.72771%0.708SS**  trans-70.1129.9178.3-5.320.3000110.2K319P317-K319 PolarHBondContact O-N 3Å
318S35Very low42.4Very low119 Ų119130.7 Ų130.783%0.83270%0.701SS**  trans-52.8108.9167.547.20000110.2V316V316-S318 PolarHBondContact O-N 3.26Å
319K36.3Very low42.5Very low208 Ų208125.4 Ų125.490%0.90468%0.68SS**  trans-83.3114.1167.6-82.6-171.6175.2179.20108.9P317P317-K319 PolarHBondContact O-N 3Å
320E33.8Very low42.9Very low175 Ų175128.3 Ų128.382%0.81869%0.686SS**  trans-57.9132.9173.2-68.7175.2152.500112.1
321D34.1Very low43.4Very low159 Ų159125.7 Ų125.785%0.8568%0.675SS**  trans31.589142.7-65.6-22.7000117.6
322T33.6Very low44Very low122 Ų122122.1 Ų122.175%0.74864%0.644SS**  trans-109.7109.6146.622.70000109.6K324T322-K324 VanDerWaalsContact C-N 3.3Å; T322-K324 PolarHBondContact O-N 3.43Å
323N35.9Very low44.9Very low149 Ų149118.1 Ų118.180%0.79763%0.628SS**  trans-54.285.6170-156.97000110.1
324K41Very low46Very low142 Ų142115.7 Ų115.762%0.61762%0.617SS**  trans-113.378.3175.2-84.1-170.9174.2-174.50109.5T322 V326T322-K324 VanDerWaalsContact C-N 3.3Å; T322-K324 PolarHBondContact O-N 3.43Å; K324-V326 PolarHBondContact O-N 3.22Å; K324-V326 VanDerWaalsContact O-N 3.17Å
325N39.3Very low47.2Very low150 Ų150109.3 Ų109.380%0.80258%0.582SS**  trans-79.121.9172.4-77.9-22.5000113.8
326V44.5Very low48.3Very low114 Ų114103.8 Ų103.869%0.69155%0.552SS**  trans-137.894.3170.7-1730000107.5K324 D328K324-V326 PolarHBondContact O-N 3.22Å; K324-V326 VanDerWaalsContact O-N 3.17Å; V326-D328 PolarHBondContact O-N 3.42Å
327V48.5Very low49.9Very low52 Ų52106.4 Ų106.432%0.31556%0.555SS.*  trans-68.1100166.11790000106.4R296 D331R296-V327 HydrophobicContact CG-CB 3.84Å; R296-V327 HydrophobicContact CG-CG1 4.23Å; R296-V327 HydrophobicContact CG-CG2 4.01Å; V327-D331 WeakPolarHBondContact CA-OD2 3.29Å; V327-D331 HydrophobicContact CG1-CB 3.95Å
328D55.6Low51.5Low84 Ų84110.3 Ų110.345%0.44956%0.555SS.*  trans-85152178.7-168.79.6000108.5V326 R330 D331V326-D328 PolarHBondContact O-N 3.42Å; D328-R330 PolarHBondContact O-N 3.24Å; D328-D331 PolarHBondContact N-OD2 3.08Å; D328-D331 VanDerWaalsContact O-CB 3.27Å; D328-D331 WeakPolarHBondContact O-CB 3.49Å; D328-D331 PolarHBondContact O-N 3.03Å
329I57.2Low53Low53 Ų53105 Ų10527%0.27252%0.518SS..Hα-helixtrans-55.4-23.2-174.9-113.6169.3000113.7D331 L332 S333 Y353I329-D331 PolarHBondContact O-N 2.69Å; I329-L332 WeakPolarHBondContact O-CB 3.4Å; I329-L332 PolarHBondContact O-N 3.26Å; I329-S333 PolarHBondContact O-N 3.16Å; I329-Y353 HydrophobicContact CD1-CD1 3.07Å; I329-Y353 HydrophobicContact CD1-CD2 3.97Å; I329-Y353 HydrophobicContact CD1-CE1 3.27Å; I329-Y353 HydrophobicContact CD1-CE2 4.11Å; I329-Y353 HydrophobicContact CD1-CG 3.44Å; I329-Y353 VanDerWaalsContact CD1-CG 3.44Å; I329-Y353 HydrophobicContact CG1-CD1 4.46Å
330R59.2Low54.7Low184 Ų18499.6 Ų99.669%0.69450%0.503SS*.Hα-helixtrans-55.7-36.7171.1-70.5177.6174.6172.20.3112.1D328 L332 S333 D334D328-R330 PolarHBondContact O-N 3.24Å; R330-L332 VanDerWaalsContact C-N 3.28Å; R330-L332 PolarHBondContact O-N 3.02Å; R330-S333 WeakPolarHBondContact O-CB 3.3Å; R330-S333 PolarHBondContact O-N 3.36Å; R330-S333 VanDerWaalsContact O-N 3.14Å; R330-D334 PolarHBondContact O-N 3.03Å
331D64.3Low56.9Low51 Ų5197.2 Ų97.227%0.27349%0.492SS..Hα-helixtrans-64.4-32.9176.1-66.3-29.7000111.4V327 D328 I329 D334 L335V327-D331 WeakPolarHBondContact CA-OD2 3.29Å; V327-D331 HydrophobicContact CG1-CB 3.95Å; D328-D331 PolarHBondContact N-OD2 3.08Å; D328-D331 VanDerWaalsContact O-CB 3.27Å; D328-D331 WeakPolarHBondContact O-CB 3.49Å; D328-D331 PolarHBondContact O-N 3.03Å; I329-D331 PolarHBondContact O-N 2.69Å; D331-D334 PolarHBondContact O-N 2.9Å; D331-L335 VanDerWaalsContact O-CB 3.24Å; D331-L335 WeakPolarHBondContact O-CB 3.39Å; D331-L335 PolarHBondContact O-N 3.08Å
332L63.1Low59.1Low7 Ų791.5 Ų91.54%0.03746%0.459CS..Hα-helixtrans-69.8-38.9174-161.273.6000111.1V295 F298 I329 R330 D334 L335 I336 A350V295-L332 HydrophobicContact CG1-CD1 3.96Å; V295-L332 HydrophobicContact CG1-CD2 4.35Å; F298-L332 HydrophobicContact CD1-CD1 4.23Å; F298-L332 HydrophobicContact CE1-CD1 4.41Å; I329-L332 WeakPolarHBondContact O-CB 3.4Å; I329-L332 PolarHBondContact O-N 3.26Å; R330-L332 VanDerWaalsContact C-N 3.28Å; R330-L332 PolarHBondContact O-N 3.02Å; L332-D334 VanDerWaalsContact C-N 3.34Å; L332-L335 HydrophobicContact CD1-CD2 4.25Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 2.88Å; L332-I336 VanDerWaalsContact O-CG1 3.26Å; L332-I336 WeakPolarHBondContact O-CG1 3.39Å; L332-I336 PolarHBondContact O-N 3.39Å; L332-A350 HydrophobicContact CD2-CB 4.07Å
333S64.1Low61.3Low67 Ų6791.3 Ų91.347%0.46945%0.45SS..Hα-helixtrans-64.7-38.6174.4-1260000112.2I329 R330 K337I329-S333 PolarHBondContact O-N 3.16Å; R330-S333 WeakPolarHBondContact O-CB 3.3Å; R330-S333 PolarHBondContact O-N 3.36Å; R330-S333 VanDerWaalsContact O-N 3.14Å; S333-K337 PolarHBondContact O-N 3.17Å
334D69.1Low63.5Low72 Ų7290.1 Ų90.139%0.38545%0.448SS..Hα-helixtrans-72-35.1174.2-73-21.1000111.9R330 D331 L332 K337 R338R330-D334 PolarHBondContact O-N 3.03Å; D331-D334 PolarHBondContact O-N 2.9Å; L332-D334 VanDerWaalsContact C-N 3.34Å; D334-K337 PolarHBondContact O-N 2.97Å; D334-R338 WeakPolarHBondContact O-CG 3.35Å; D334-R338 PolarHBondContact O-N 3.04Å
335L64.1Low65.5Low14 Ų1488 Ų887%0.07344%0.44CS..Hα-helixtrans-61.1-44.7172.1-162.693000111.1F298 A299 D331 L332 K337 R338 M339F298-L335 HydrophobicContact CD1-CD2 4.22Å; F298-L335 HydrophobicContact CE1-CD2 3.81Å; A299-L335 HydrophobicContact CB-CD1 4.4Å; A299-L335 HydrophobicContact CB-CD2 4.29Å; D331-L335 VanDerWaalsContact O-CB 3.24Å; D331-L335 WeakPolarHBondContact O-CB 3.39Å; D331-L335 PolarHBondContact O-N 3.08Å; L332-L335 HydrophobicContact CD1-CD2 4.25Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 2.88Å; L335-K337 VanDerWaalsContact C-N 3.3Å; L335-K337 PolarHBondContact O-N 3.18Å; L335-R338 PolarHBondContact O-N 3.34Å; L335-R338 VanDerWaalsContact O-N 3.07Å; L335-M339 HydrophobicContact CD1-CE 3.85Å; L335-M339 HydrophobicContact CG-CE 4.27Å; L335-M339 PolarHBondContact O-N 3.08Å; L335-M339 VanDerWaalsContact O-N 3.08Å
336I63.3Low67.5Low39 Ų3980.9 Ų80.920%0.240%0.402CS..Hα-helixtrans-56-45.6176.1-73.5165.1000111L332 R338 M339 Q343L332-I336 VanDerWaalsContact O-CG1 3.26Å; L332-I336 WeakPolarHBondContact O-CG1 3.39Å; L332-I336 PolarHBondContact O-N 3.39Å; I336-R338 PolarHBondContact O-N 3.08Å; I336-M339 PolarHBondContact O-N 3.38Å; I336-Q343 HydrophobicContact CG2-CG 4.36Å
337K69.6Low69.3Low161 Ų16178 Ų7870%0.739%0.39SS*.Hα-helixtrans-64.6-30.5179.6-73.3176.3-176.5167.10112.6S333 D334 L335S333-K337 PolarHBondContact O-N 3.17Å; D334-K337 PolarHBondContact O-N 2.97Å; L335-K337 VanDerWaalsContact C-N 3.3Å; L335-K337 PolarHBondContact O-N 3.18Å
338R69.7Low71.1Confident194 Ų19476.3 Ų76.373%0.73238%0.381SS*.Hα-helixtrans-84.7-20.8-177.8-69.8179.5-173.9-164.62.3113.6D334 L335 I336D334-R338 WeakPolarHBondContact O-CG 3.35Å; D334-R338 PolarHBondContact O-N 3.04Å; L335-R338 PolarHBondContact O-N 3.34Å; L335-R338 VanDerWaalsContact O-N 3.07Å; I336-R338 PolarHBondContact O-N 3.08Å
339M65.9Low72.7Confident9 Ų973.5 Ų73.54%0.04436%0.364CS..  trans-136.984.7-174.9-55.4-173-14600112.4K302 V306 L335 I336 Q341 Y342K302-M339 HydrophobicContact CB-CE 4.11Å; K302-M339 HydrophobicContact CB-SD 3.96Å; V306-M339 HydrophobicContact CB-CE 4.08Å; V306-M339 HydrophobicContact CG2-CE 3.21Å; V306-M339 HydrophobicContact CG2-CG 4Å; V306-M339 HydrophobicContact CG2-SD 3.49Å; V306-M339 WeakPolarHBondContact CG2-SD 3.46Å; L335-M339 HydrophobicContact CD1-CE 3.85Å; L335-M339 HydrophobicContact CG-CE 4.27Å; L335-M339 PolarHBondContact O-N 3.08Å; L335-M339 VanDerWaalsContact O-N 3.08Å; I336-M339 PolarHBondContact O-N 3.38Å; M339-Q341 PolarHBondContact O-N 3.03Å; M339-Y342 HydrophobicContact CB-CD2 3.67Å; M339-Y342 HydrophobicContact CB-CE2 4.38Å; M339-Y342 HydrophobicContact CG-CD2 4.28Å; M339-Y342 PolarHBondContact O-N 3.34Å; M339-Y342 VanDerWaalsContact O-N 3.1Å; M339-Y342 HydrophobicContact SD-CD2 3.63Å; M339-Y342 HydrophobicContact SD-CE2 3.73Å
340P73.9Confident73.9Confident93 Ų9372.1 Ų72.160%0.60436%0.361SS*.G310 helixtrans-58-33.8-178.8-21.431000113.3Y342 Q343P340-Y342 PolarHBondContact O-N 3.07Å; P340-Q343 VanDerWaalsContact O-CB 3.24Å; P340-Q343 WeakPolarHBondContact O-CB 3.25Å; P340-Q343 PolarHBondContact O-N 3.38Å; P340-Q343 VanDerWaalsContact O-N 3.14Å
341Q79.6Confident75.3Confident126 Ų12663.8 Ų63.859%0.58933%0.331SS*.G310 helixtrans-62.2-23179.365.4-128.135.600114.2M339M339-Q341 PolarHBondContact O-N 3.03Å
342Y79.2Confident76.5Confident39 Ų3962 Ų6215%0.15332%0.324CS..G310 helixtrans-103.414.2179.4-56.6-58.4000113.1K302 M339 P340 T344 E345 S346K302-Y342 HydrophobicContact CB-CE2 4.45Å; K302-Y342 HydrophobicContact CD-CD2 4.34Å; K302-Y342 HydrophobicContact CD-CE1 4.13Å; K302-Y342 HydrophobicContact CD-CE2 3.92Å; K302-Y342 HydrophobicContact CG-CD2 4.31Å; K302-Y342 HydrophobicContact CG-CE2 4.26Å; M339-Y342 HydrophobicContact CB-CD2 3.67Å; M339-Y342 HydrophobicContact CB-CE2 4.38Å; M339-Y342 HydrophobicContact CG-CD2 4.28Å; M339-Y342 PolarHBondContact O-N 3.34Å; M339-Y342 VanDerWaalsContact O-N 3.1Å; M339-Y342 HydrophobicContact SD-CD2 3.63Å; M339-Y342 HydrophobicContact SD-CE2 3.73Å; P340-Y342 PolarHBondContact O-N 3.07Å; Y342-T344 VanDerWaalsContact C-N 3.27Å; Y342-T344 PolarHBondContact O-N 3.03Å; Y342-E345 PolarHBondContact O-N 3.42Å; Y342-S346 VanDerWaalsContact O-CB 3.31Å; Y342-S346 WeakPolarHBondContact O-CB 3.45Å; Y342-S346 PolarHBondContact O-N 3.32Å; Y342-S346 PolarHBondContact O-OG 3.32Å
343Q80.7Confident77.7Confident118 Ų11865.6 Ų65.655%0.55134%0.337SS*.Hα-helixtrans-59-38.3-175.9-171.7174.720.400112.2I336 P340 A347I336-Q343 HydrophobicContact CG2-CG 4.36Å; P340-Q343 VanDerWaalsContact O-CB 3.24Å; P340-Q343 WeakPolarHBondContact O-CB 3.25Å; P340-Q343 PolarHBondContact O-N 3.38Å; P340-Q343 VanDerWaalsContact O-N 3.14Å; Q343-A347 WeakPolarHBondContact O-CB 3.15Å; Q343-A347 PolarHBondContact O-N 3.12Å
344T82.1Confident78.8Confident123 Ų12363.9 Ų63.976%0.75532%0.322SS*.Hα-helixtrans-66.1-51.8178.6-52.40000112.4Y342 S346 A347 S348Y342-T344 VanDerWaalsContact C-N 3.27Å; Y342-T344 PolarHBondContact O-N 3.03Å; T344-S346 VanDerWaalsContact C-N 3.33Å; T344-S346 PolarHBondContact O-N 3.32Å; T344-A347 PolarHBondContact O-N 3.17Å; T344-S348 PolarHBondContact O-N 3.38Å
345E82.9Confident79.9Confident98 Ų9860.6 Ų60.646%0.45830%0.304SS..Hα-helixtrans-61.1-44.3178.3-74.7174.3-149.700110.9F298 Y342 A347 S348 Y349F298-E345 HydrophobicContact CE2-CB 4.15Å; F298-E345 VanDerWaalsContact CE2-OE2 3.26Å; F298-E345 WeakPolarHBondContact CE2-OE2 3.44Å; F298-E345 HydrophobicContact CZ-CB 4.07Å; Y342-E345 PolarHBondContact O-N 3.42Å; E345-A347 VanDerWaalsContact C-N 3.35Å; E345-A347 PolarHBondContact O-N 3.21Å; E345-S348 WeakPolarHBondContact O-CB 3.38Å; E345-S348 PolarHBondContact O-N 3.41Å; E345-S348 VanDerWaalsContact O-N 3.16Å; E345-Y349 VanDerWaalsContact O-CD2 3.31Å; E345-Y349 WeakPolarHBondContact O-CD2 3.33Å; E345-Y349 PolarHBondContact O-N 3.1Å
346S81.1Confident81.3Confident1 Ų160.4 Ų60.41%0.00730%0.303CS..Hα-helixtrans-65.3-38.1179.6-54.70000112.5Y342 T344 S348 Y349 A350Y342-S346 VanDerWaalsContact O-CB 3.31Å; Y342-S346 WeakPolarHBondContact O-CB 3.45Å; Y342-S346 PolarHBondContact O-N 3.32Å; Y342-S346 PolarHBondContact O-OG 3.32Å; T344-S346 VanDerWaalsContact C-N 3.33Å; T344-S346 PolarHBondContact O-N 3.32Å; S346-S348 VanDerWaalsContact C-N 3.32Å; S346-Y349 PolarHBondContact O-N 3.3Å; S346-A350 WeakPolarHBondContact O-CB 3.33Å; S346-A350 PolarHBondContact O-N 2.71Å
347A82.3Confident82.7Confident53 Ų5363.3 Ų63.344%0.43832%0.316SS..Hα-helixtrans-63.9-37.9173.700000111.8Q343 T344 E345 A350 A351Q343-A347 WeakPolarHBondContact O-CB 3.15Å; Q343-A347 PolarHBondContact O-N 3.12Å; T344-A347 PolarHBondContact O-N 3.17Å; E345-A347 VanDerWaalsContact C-N 3.35Å; E345-A347 PolarHBondContact O-N 3.21Å; A347-A350 PolarHBondContact O-N 2.84Å; A347-A351 VanDerWaalsContact O-CB 3.29Å; A347-A351 WeakPolarHBondContact O-CB 3.44Å; A347-A351 PolarHBondContact O-N 3.18Å
348S86.8Confident83.8Confident17 Ų1757.1 Ų57.112%0.11929%0.292CS..Hα-helixtrans-61.9-49.2174.1174.40000111.7D273 T344 E345 S346 A350 A351 A352D273-S348 VanDerWaalsContact CG-OG 3.26Å; D273-S348 PolarHBondContact OD1-OG 2.86Å; D273-S348 WeakPolarHBondContact OD2-CB 3.16Å; D273-S348 PolarHBondContact OD2-OG 3.29Å; T344-S348 PolarHBondContact O-N 3.38Å; E345-S348 WeakPolarHBondContact O-CB 3.38Å; E345-S348 PolarHBondContact O-N 3.41Å; E345-S348 VanDerWaalsContact O-N 3.16Å; S346-S348 VanDerWaalsContact C-N 3.32Å; S348-A350 PolarHBondContact O-N 2.87Å; S348-A351 PolarHBondContact O-N 3.49Å; S348-A352 WeakPolarHBondContact O-CB 3.14Å; S348-A352 PolarHBondContact O-N 2.89Å
349Y87.8Confident85Confident24 Ų2447.9 Ų47.99%0.09426%0.257CS..Hα-helixtrans-58.6-46.1175.7-84.3-73.9000113L275 L291 R294 V295 F298 E345 S346 A351 A352 Y353L275-Y349 HydrophobicContact CD1-CD1 4Å; L275-Y349 HydrophobicContact CD1-CE1 3.41Å; L275-Y349 VanDerWaalsContact CD1-CE1 3.41Å; L275-Y349 HydrophobicContact CD1-CE2 4.49Å; L275-Y349 HydrophobicContact CD2-CD1 3.58Å; L275-Y349 HydrophobicContact CD2-CD2 4.35Å; L275-Y349 HydrophobicContact CD2-CE1 3.9Å; L275-Y349 HydrophobicContact CD2-CG 3.84Å; L275-Y349 HydrophobicContact CG-CD1 4.48Å; L275-Y349 HydrophobicContact CG-CE1 4.32Å; L291-Y349 HydrophobicContact CD1-CD1 4.25Å; R294-Y349 HydrophobicContact CB-CE1 4.12Å; R294-Y349 HydrophobicContact CG-CE1 3.84Å; V295-Y349 HydrophobicContact CB-CD1 4.47Å; V295-Y349 HydrophobicContact CG2-CD1 3.52Å; V295-Y349 HydrophobicContact CG2-CE1 4.25Å; V295-Y349 HydrophobicContact CG2-CG 4.21Å; F298-Y349 HydrophobicContact CB-CE2 4Å; F298-Y349 HydrophobicContact CD1-CD2 4.11Å; F298-Y349 HydrophobicContact CD1-CE2 4.17Å; F298-Y349 HydrophobicContact CD2-CD2 4.48Å; F298-Y349 AromaticContact CD2-CE2 3.83Å; F298-Y349 HydrophobicContact CD2-CE2 3.83Å; F298-Y349 HydrophobicContact CE1-CD2 4.4Å; F298-Y349 HydrophobicContact CE2-CE2 4.35Å; F298-Y349 HydrophobicContact CG-CD2 4.14Å; F298-Y349 AromaticContact CG-CE2 3.72Å; F298-Y349 HydrophobicContact CG-CE2 3.72Å; E345-Y349 VanDerWaalsContact O-CD2 3.31Å; E345-Y349 WeakPolarHBondContact O-CD2 3.33Å; E345-Y349 PolarHBondContact O-N 3.1Å; S346-Y349 PolarHBondContact O-N 3.3Å; Y349-A351 PolarHBondContact O-N 3.21Å; Y349-A352 PolarHBondContact O-N 3.21Å; Y349-Y353 PolarHBondContact O-N 3.29Å
350A83.6Confident86.4Confident25 Ų2549.3 Ų49.321%0.20726%0.264CS..Hα-helixtrans-62.1-43.4178.400000111.8L332 S346 A347 S348 H354L332-A350 HydrophobicContact CD2-CB 4.07Å; S346-A350 WeakPolarHBondContact O-CB 3.33Å; S346-A350 PolarHBondContact O-N 2.71Å; A347-A350 PolarHBondContact O-N 2.84Å; S348-A350 PolarHBondContact O-N 2.87Å; A350-H354 PolarHBondContact O-CD2 2.89Å; A350-H354 PolarHBondContact O-N 3.21Å; A350-H354 VanDerWaalsContact O-N 3.16Å
351A87.6Confident87.3Confident9 Ų947.3 Ų47.37%0.07426%0.256CS..Hα-helixtrans-62.2-51.3176.500000111.4A267 A347 S348 Y349 Y353 H354 I355A267-A351 HydrophobicContact CB-CB 3.64Å; A347-A351 VanDerWaalsContact O-CB 3.29Å; A347-A351 WeakPolarHBondContact O-CB 3.44Å; A347-A351 PolarHBondContact O-N 3.18Å; S348-A351 PolarHBondContact O-N 3.49Å; Y349-A351 PolarHBondContact O-N 3.21Å; A351-Y353 VanDerWaalsContact C-N 3.28Å; A351-Y353 PolarHBondContact O-N 2.87Å; A351-H354 PolarHBondContact O-N 3.45Å; A351-I355 WeakPolarHBondContact O-CB 3.38Å; A351-I355 WeakPolarHBondContact O-CD1 3.37Å; A351-I355 WeakPolarHBondContact O-CG1 3.41Å; A351-I355 PolarHBondContact O-N 2.73Å
352A89.7Confident88Confident13 Ų1343.2 Ų43.211%0.10724%0.239CC..Hα-helixtrans-55.5-43.9179.400000111.7L275 L291 S348 Y349 I355 V356L275-A352 HydrophobicContact CD2-CB 3.89Å; L291-A352 HydrophobicContact CD1-CB 4.36Å; L291-A352 HydrophobicContact CD2-CB 4.15Å; S348-A352 WeakPolarHBondContact O-CB 3.14Å; S348-A352 PolarHBondContact O-N 2.89Å; Y349-A352 PolarHBondContact O-N 3.21Å; A352-I355 PolarHBondContact O-N 3.1Å; A352-V356 VanDerWaalsContact O-CG2 3.26Å; A352-V356 WeakPolarHBondContact O-CG2 3.18Å; A352-V356 PolarHBondContact O-N 2.72Å
353Y87.9Confident88.7Confident83 Ų8342.5 Ų42.533%0.32524%0.237SC..Hα-helixtrans-62-51.1178.6-173.9-78.5000112P292 I329 Y349 A351 I355 V356 E357P292-Y353 HydrophobicContact CG-CE2 4.36Å; I329-Y353 HydrophobicContact CD1-CD1 3.07Å; I329-Y353 HydrophobicContact CD1-CD2 3.97Å; I329-Y353 HydrophobicContact CD1-CE1 3.27Å; I329-Y353 HydrophobicContact CD1-CE2 4.11Å; I329-Y353 HydrophobicContact CD1-CG 3.44Å; I329-Y353 VanDerWaalsContact CD1-CG 3.44Å; I329-Y353 HydrophobicContact CG1-CD1 4.46Å; Y349-Y353 PolarHBondContact O-N 3.29Å; A351-Y353 VanDerWaalsContact C-N 3.28Å; A351-Y353 PolarHBondContact O-N 2.87Å; Y353-I355 VanDerWaalsContact C-N 3.32Å; Y353-I355 PolarHBondContact O-N 3.23Å; Y353-V356 PolarHBondContact O-N 3.17Å; Y353-E357 WeakPolarHBondContact O-CB 3.29Å; Y353-E357 PolarHBondContact O-N 2.83Å
354H88.4Confident89.4Confident31 Ų3144.2 Ų44.214%0.14424%0.243CC..Hα-helixtrans-68.8-30.6-178.2-73.2-55.2000113.1Y261 A350 A351 E357 T358Y261-H354 HydrophobicContact CD2-CB 3.51Å; Y261-H354 HydrophobicContact CE2-CB 3.57Å; A350-H354 PolarHBondContact O-CD2 2.89Å; A350-H354 PolarHBondContact O-N 3.21Å; A350-H354 VanDerWaalsContact O-N 3.16Å; A351-H354 PolarHBondContact O-N 3.45Å; H354-E357 IonicContact ND1-OE2 3.91Å; H354-E357 PolarHBondContact ND1-OE2 3.28Å; H354-T358 WeakPolarHBondContact O-CB 3.14Å; H354-T358 PolarHBondContact O-N 2.84Å; H354-T358 PolarHBondContact O-OG1 3.06Å
355I92.7Very high89.9Confident3 Ų345.9 Ų45.92%0.01524%0.239CC..Hα-helixtrans-61.8-51.7171.2-71.7165000109.7C248 L252 I259 Y261 A267 V269 A351 A352 Y353 E357 T358 C359C248-I355 WeakPolarHBondContact SG-CG2 3.2Å; L252-I355 HydrophobicContact CD1-CG2 4.22Å; I259-I355 HydrophobicContact CB-CD1 4.39Å; I259-I355 HydrophobicContact CD1-CD1 4.26Å; I259-I355 HydrophobicContact CD1-CG2 4.46Å; I259-I355 HydrophobicContact CG2-CD1 4.4Å; I259-I355 HydrophobicContact CG2-CG1 4.2Å; Y261-I355 HydrophobicContact CD1-CD1 4.44Å; Y261-I355 HydrophobicContact CD1-CG1 3.89Å; Y261-I355 HydrophobicContact CG-CG1 3.98Å; A267-I355 HydrophobicContact CB-CD1 4.1Å; V269-I355 HydrophobicContact CG1-CD1 4.42Å; A351-I355 WeakPolarHBondContact O-CB 3.38Å; A351-I355 WeakPolarHBondContact O-CD1 3.37Å; A351-I355 WeakPolarHBondContact O-CG1 3.41Å; A351-I355 PolarHBondContact O-N 2.73Å; A352-I355 PolarHBondContact O-N 3.1Å; Y353-I355 VanDerWaalsContact C-N 3.32Å; Y353-I355 PolarHBondContact O-N 3.23Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.03Å; I355-T358 PolarHBondContact O-N 3.02Å; I355-C359 PolarHBondContact O-N 3.16Å
356V93.5Very high90.3Very high9 Ų941.3 Ų41.36%0.05522%0.219CC..Hα-helixtrans-59.2-45.2178.5172.20000110.9L244 V284 V287 L291 A352 Y353 T358 C359 M360L244-V356 HydrophobicContact CD1-CG2 3.67Å; V284-V356 HydrophobicContact CG2-CG1 4.45Å; V287-V356 HydrophobicContact CG1-CG2 3.66Å; L291-V356 HydrophobicContact CD2-CG2 4.1Å; A352-V356 VanDerWaalsContact O-CG2 3.26Å; A352-V356 WeakPolarHBondContact O-CG2 3.18Å; A352-V356 PolarHBondContact O-N 2.72Å; Y353-V356 PolarHBondContact O-N 3.17Å; V356-T358 PolarHBondContact O-N 3.21Å; V356-C359 PolarHBondContact O-N 3.2Å; V356-M360 HydrophobicContact CG1-CG 4.34Å; V356-M360 WeakPolarHBondContact O-CB 3.41Å; V356-M360 VanDerWaalsContact O-CG 3.3Å; V356-M360 WeakPolarHBondContact O-CG 3.4Å; V356-M360 PolarHBondContact O-N 3Å
357E91.6Very high91Very high100 Ų10041.6 Ų41.647%0.46722%0.221SC..Hα-helixtrans-58.8-45.9176.9-174.8-178.6-154.400111.8Y353 H354 I355 M360 A361Y353-E357 WeakPolarHBondContact O-CB 3.29Å; Y353-E357 PolarHBondContact O-N 2.83Å; H354-E357 IonicContact ND1-OE2 3.91Å; H354-E357 PolarHBondContact ND1-OE2 3.28Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.03Å; E357-M360 PolarHBondContact O-N 3Å; E357-A361 WeakPolarHBondContact O-CB 3.3Å; E357-A361 PolarHBondContact O-N 3.34Å
358T93.7Very high91.6Very high32 Ų3241.5 Ų41.520%0.19621%0.213CC..Hα-helixtrans-63.9-46.2178.4-54.80000111L252 H354 I355 V356 M360 A361 T362L252-T358 HydrophobicContact CD2-CG2 3.68Å; H354-T358 WeakPolarHBondContact O-CB 3.14Å; H354-T358 PolarHBondContact O-N 2.84Å; H354-T358 PolarHBondContact O-OG1 3.06Å; I355-T358 PolarHBondContact O-N 3.02Å; V356-T358 PolarHBondContact O-N 3.21Å; T358-M360 PolarHBondContact O-N 2.87Å; T358-A361 PolarHBondContact O-N 3.07Å; T358-T362 PolarHBondContact O-N 3.24Å; T358-T362 PolarHBondContact O-OG1 2.61Å
359C94.4Very high92Very high0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-57.4-46.8174.7-78.90000111.8M247 C248 L252 I355 V356 A361 T362 F363M247-C359 HydrophobicContact CE-CB 4.05Å; M247-C359 HydrophobicContact SD-CB 4.2Å; C248-C359 PolarHBondContact SG-SG 3.36Å; L252-C359 VanDerWaalsContact CD1-SG 3.51Å; I355-C359 PolarHBondContact O-N 3.16Å; V356-C359 PolarHBondContact O-N 3.2Å; C359-A361 VanDerWaalsContact C-N 3.33Å; C359-A361 PolarHBondContact O-N 2.75Å; C359-T362 PolarHBondContact O-N 3.45Å; C359-F363 WeakPolarHBondContact O-CB 3.14Å; C359-F363 PolarHBondContact O-N 3.47Å
360M94.8Very high92.4Very high38 Ų3843.7 Ų43.719%0.18722%0.22CC..Hα-helixtrans-67.8-32.6-179.9-72.2-55.7-60.700112.8M247 V284 V356 E357 T358 F363 K364M247-M360 HydrophobicContact CE-SD 4.43Å; V284-M360 HydrophobicContact CB-SD 4.4Å; V284-M360 HydrophobicContact CG1-SD 3.92Å; V284-M360 HydrophobicContact CG2-CG 4.14Å; V284-M360 HydrophobicContact CG2-SD 3.56Å; V284-M360 VanDerWaalsContact CG2-SD 3.56Å; V356-M360 HydrophobicContact CG1-CG 4.34Å; V356-M360 WeakPolarHBondContact O-CB 3.41Å; V356-M360 VanDerWaalsContact O-CG 3.3Å; V356-M360 WeakPolarHBondContact O-CG 3.4Å; V356-M360 PolarHBondContact O-N 3Å; E357-M360 PolarHBondContact O-N 3Å; T358-M360 PolarHBondContact O-N 2.87Å; M360-F363 HydrophobicContact CE-CD1 3.92Å; M360-F363 HydrophobicContact CE-CE1 4.45Å; M360-F363 HydrophobicContact SD-CD1 4.44Å; M360-K364 WeakPolarHBondContact O-CG 3.21Å; M360-K364 PolarHBondContact O-N 3.12Å; M360-K364 VanDerWaalsContact O-N 3.16Å
361A94.1Very high93Very high52 Ų5242.5 Ų42.543%0.4321%0.211SC..Hα-helixtrans-66.4-42.4173.400000111.6E357 T358 C359 K365E357-A361 WeakPolarHBondContact O-CB 3.3Å; E357-A361 PolarHBondContact O-N 3.34Å; T358-A361 PolarHBondContact O-N 3.07Å; C359-A361 VanDerWaalsContact C-N 3.33Å; C359-A361 PolarHBondContact O-N 2.75Å; A361-K365 WeakPolarHBondContact O-CG 3.12Å
362T92.7Very high93.5Very high39 Ų3947 Ų4724%0.23923%0.23CC..Hα-helixtrans-65.7-43.8173.4-59.60000111.2L251 T358 C359 K364 K365L251-T362 HydrophobicContact CB-CG2 4.23Å; L251-T362 HydrophobicContact CD1-CG2 4.35Å; L251-T362 HydrophobicContact CD2-CG2 4.48Å; T358-T362 PolarHBondContact O-N 3.24Å; T358-T362 PolarHBondContact O-OG1 2.61Å; C359-T362 PolarHBondContact O-N 3.45Å; T362-K364 VanDerWaalsContact C-N 3.33Å; T362-K364 PolarHBondContact O-N 2.9Å; T362-K365 WeakPolarHBondContact O-CB 3.24Å; T362-K365 PolarHBondContact O-N 3.29Å
363F95Very high93.8Very high24 Ų2447.5 Ų47.511%0.10523%0.231CC..Iπ-helixtrans-55.4-46.3-179.6176.6-108.7000113L242 M247 C359 M360 K365 G366 V367 D368 L517L242-F363 HydrophobicContact CD1-CE2 3.96Å; L242-F363 HydrophobicContact CD1-CZ 4.21Å; L242-F363 HydrophobicContact CD2-CD2 3.93Å; L242-F363 HydrophobicContact CD2-CE2 3.67Å; L242-F363 HydrophobicContact CG-CE2 4.5Å; M247-F363 HydrophobicContact CE-CB 3.54Å; M247-F363 HydrophobicContact CE-CD2 4.02Å; M247-F363 HydrophobicContact CE-CG 3.93Å; C359-F363 WeakPolarHBondContact O-CB 3.14Å; C359-F363 PolarHBondContact O-N 3.47Å; M360-F363 HydrophobicContact CE-CD1 3.92Å; M360-F363 HydrophobicContact CE-CE1 4.45Å; M360-F363 HydrophobicContact SD-CD1 4.44Å; F363-K365 PolarHBondContact O-N 3.1Å; F363-G366 PolarHBondContact O-N 3.08Å; F363-V367 HydrophobicContact CD2-CB 3.97Å; F363-V367 HydrophobicContact CD2-CG1 4Å; F363-V367 PolarHBondContact O-N 3.33Å; F363-V367 VanDerWaalsContact O-N 3.11Å; F363-D368 HydrophobicContact CD1-CB 4.29Å; F363-D368 HydrophobicContact CD2-CB 4.42Å; F363-D368 HydrophobicContact CE1-CB 3.69Å; F363-D368 VanDerWaalsContact CE2-CA 3.46Å; F363-D368 HydrophobicContact CE2-CB 3.83Å; F363-D368 HydrophobicContact CZ-CB 3.43Å; F363-D368 VanDerWaalsContact CZ-CB 3.43Å; F363-D368 PolarHBondContact O-N 3.18Å; F363-L517 HydrophobicContact CZ-CD1 3.85Å
364K94.4Very high94.2Very high154 Ų15443.6 Ų43.667%0.6722%0.215SC*.Iπ-helixtrans-69.6-9.5-179.8-72173.5175.31770114.6M360 T362 G366M360-K364 WeakPolarHBondContact O-CG 3.21Å; M360-K364 PolarHBondContact O-N 3.12Å; M360-K364 VanDerWaalsContact O-N 3.16Å; T362-K364 VanDerWaalsContact C-N 3.33Å; T362-K364 PolarHBondContact O-N 2.9Å; K364-G366 VanDerWaalsContact C-N 3.25Å
365K92.3Very high94.6Very high158 Ų15842.1 Ų42.169%0.68721%0.209SC*.Iπ-helixtrans-78.2-9.5176.4-70.2173.9-176.2176.30113A361 T362 F363A361-K365 WeakPolarHBondContact O-CG 3.12Å; T362-K365 WeakPolarHBondContact O-CB 3.24Å; T362-K365 PolarHBondContact O-N 3.29Å; F363-K365 PolarHBondContact O-N 3.1Å
366G92.1Very high94.8Very high3 Ų343 Ų433%0.03121%0.213CC..Iπ-helixtrans147-8.6174.700000115.1F363 K364 D368 K369 L370 F403F363-G366 PolarHBondContact O-N 3.08Å; K364-G366 VanDerWaalsContact C-N 3.25Å; G366-D368 VanDerWaalsContact C-OD1 3.29Å; G366-D368 VanDerWaalsContact CA-OD1 3.29Å; G366-D368 WeakPolarHBondContact CA-OD1 3.32Å; G366-D368 PolarHBondContact O-N 3.16Å; G366-K369 WeakPolarHBondContact O-CB 3.47Å; G366-K369 PolarHBondContact O-N 3.31Å; G366-K369 VanDerWaalsContact O-N 3.12Å; G366-L370 PolarHBondContact O-N 3.33Å; G366-L370 VanDerWaalsContact O-N 3.11Å; G366-F403 VanDerWaalsContact O-CE2 3.28Å; G366-F403 WeakPolarHBondContact O-CE2 3.49Å
367V95.1Very high94.9Very high7 Ų742.7 Ų42.74%0.04221%0.211CC..Iπ-helixtrans-61.3-32.4175.2-176.10000110.8H240 L251 F363 K369 L370 C371H240-V367 HydrophobicContact CB-CG1 4.31Å; H240-V367 VanDerWaalsContact CD2-CG1 3.46Å; H240-V367 WeakPolarHBondContact CD2-CG1 3.35Å; L251-V367 HydrophobicContact CD2-CG1 4.33Å; L251-V367 HydrophobicContact CD2-CG2 4.1Å; F363-V367 HydrophobicContact CD2-CB 3.97Å; F363-V367 HydrophobicContact CD2-CG1 4Å; F363-V367 PolarHBondContact O-N 3.33Å; F363-V367 VanDerWaalsContact O-N 3.11Å; V367-K369 VanDerWaalsContact C-N 3.29Å; V367-K369 PolarHBondContact O-N 3.46Å; V367-L370 WeakPolarHBondContact O-CB 3.37Å; V367-L370 PolarHBondContact O-N 2.85Å; V367-L370 VanDerWaalsContact O-N 3.14Å; V367-C371 PolarHBondContact O-N 3.2Å; V367-C371 PolarHBondContact O-SG 2.96Å
368D95.4Very high95.1Very high51 Ų5138 Ų3827%0.27319%0.189SC..Hα-helixtrans-53.8-44.7172.664.2-39000112.9F363 G366 E372F363-D368 HydrophobicContact CD1-CB 4.29Å; F363-D368 HydrophobicContact CD2-CB 4.42Å; F363-D368 HydrophobicContact CE1-CB 3.69Å; F363-D368 VanDerWaalsContact CE2-CA 3.46Å; F363-D368 HydrophobicContact CE2-CB 3.83Å; F363-D368 HydrophobicContact CZ-CB 3.43Å; F363-D368 VanDerWaalsContact CZ-CB 3.43Å; F363-D368 PolarHBondContact O-N 3.18Å; G366-D368 VanDerWaalsContact C-OD1 3.29Å; G366-D368 VanDerWaalsContact CA-OD1 3.29Å; G366-D368 WeakPolarHBondContact CA-OD1 3.32Å; G366-D368 PolarHBondContact O-N 3.16Å; D368-E372 PolarHBondContact O-N 2.98Å
369K95.3Very high95.2Very high86 Ų8637.3 Ų37.337%0.37418%0.184SC..Hα-helixtrans-71.5-37.2176.3-61.3174.1-175.9173.90112G366 V367 E372 I373 I398 F403G366-K369 WeakPolarHBondContact O-CB 3.47Å; G366-K369 PolarHBondContact O-N 3.31Å; G366-K369 VanDerWaalsContact O-N 3.12Å; V367-K369 VanDerWaalsContact C-N 3.29Å; V367-K369 PolarHBondContact O-N 3.46Å; K369-E372 PolarHBondContact O-N 3.07Å; K369-I373 WeakPolarHBondContact O-CG1 3.47Å; K369-I373 PolarHBondContact O-N 2.92Å; K369-I398 HydrophobicContact CB-CD1 4.14Å; K369-F403 HydrophobicContact CB-CZ 4.04Å; K369-F403 HydrophobicContact CD-CE1 3.87Å; K369-F403 HydrophobicContact CD-CZ 3.79Å
370L96.2Very high95.2Very high0 Ų038.4 Ų38.40%020%0.196CC..Hα-helixtrans-62.1-47.2174.7-71.2171000110.9G366 V367 E372 I373 E374 I398 F403 T404 E408 L412G366-L370 PolarHBondContact O-N 3.33Å; G366-L370 VanDerWaalsContact O-N 3.11Å; V367-L370 WeakPolarHBondContact O-CB 3.37Å; V367-L370 PolarHBondContact O-N 2.85Å; V367-L370 VanDerWaalsContact O-N 3.14Å; L370-E372 VanDerWaalsContact C-N 3.3Å; L370-E372 PolarHBondContact O-N 3.42Å; L370-I373 PolarHBondContact O-N 3.47Å; L370-E374 WeakPolarHBondContact O-CB 3.27Å; L370-E374 VanDerWaalsContact O-CG 3.31Å; L370-E374 WeakPolarHBondContact O-CG 3.47Å; L370-E374 PolarHBondContact O-N 3.32Å; L370-I398 HydrophobicContact CD2-CG1 4.14Å; L370-F403 HydrophobicContact CG-CE2 4.2Å; L370-T404 HydrophobicContact CD2-CG2 3.83Å; L370-T404 HydrophobicContact CG-CG2 4.43Å; L370-E408 HydrophobicContact CD1-CB 3.87Å; L370-E408 HydrophobicContact CD1-CG 3.77Å; L370-E408 VanDerWaalsContact CD1-OE1 3.23Å; L370-E408 WeakPolarHBondContact CD1-OE1 3.44Å; L370-L412 HydrophobicContact CD2-CD1 3.65Å; L370-L412 HydrophobicContact CD2-CG 4.47Å
371C97.2Very high95.2Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-56.9-42.8176.2-68.40000111.7H240 V367 I373 E374 Q375 L517H240-C371 WeakPolarHBondContact CB-SG 3.46Å; V367-C371 PolarHBondContact O-N 3.2Å; V367-C371 PolarHBondContact O-SG 2.96Å; C371-I373 PolarHBondContact O-N 3.19Å; C371-E374 PolarHBondContact O-N 3.11Å; C371-Q375 WeakPolarHBondContact O-CB 3.39Å; C371-Q375 WeakPolarHBondContact O-CG 3.39Å; C371-Q375 PolarHBondContact O-N 3.3Å; C371-L517 HydrophobicContact CB-CB 4.15Å; C371-L517 HydrophobicContact CB-CD2 4.41Å
372E96.2Very high95.2Very high105 Ų10538.9 Ų38.949%0.49119%0.19SC..Hα-helixtrans-57.1-50.8178.1-174.5175.5-163.400111D368 K369 L370 Q375 D376 L517D368-E372 PolarHBondContact O-N 2.98Å; K369-E372 PolarHBondContact O-N 3.07Å; L370-E372 VanDerWaalsContact C-N 3.3Å; L370-E372 PolarHBondContact O-N 3.42Å; E372-Q375 PolarHBondContact O-N 2.94Å; E372-D376 WeakPolarHBondContact O-CB 3.37Å; E372-D376 VanDerWaalsContact O-CG 3.28Å; E372-D376 PolarHBondContact O-N 3.27Å; E372-L517 HydrophobicContact CB-CD2 3.73Å; E372-L517 HydrophobicContact CG-CD2 4.35Å
373I96Very high95.2Very high23 Ų2339.9 Ų39.912%0.11820%0.202CC..Hα-helixtrans-65.4-44.9-180-58.7-68.5000111.4K369 L370 C371 Q375 D376 L377 V394 I398 L412K369-I373 WeakPolarHBondContact O-CG1 3.47Å; K369-I373 PolarHBondContact O-N 2.92Å; L370-I373 PolarHBondContact O-N 3.47Å; C371-I373 PolarHBondContact O-N 3.19Å; I373-Q375 PolarHBondContact O-N 2.94Å; I373-D376 PolarHBondContact O-N 3.45Å; I373-L377 HydrophobicContact CG2-CD1 3.71Å; I373-L377 HydrophobicContact CG2-CG 4.11Å; I373-L377 VanDerWaalsContact O-CB 3.27Å; I373-L377 WeakPolarHBondContact O-CB 3.31Å; I373-L377 WeakPolarHBondContact O-CG 3.37Å; I373-L377 PolarHBondContact O-N 3.42Å; I373-V394 HydrophobicContact CD1-CG1 3.32Å; I373-V394 HydrophobicContact CG1-CG1 4.49Å; I373-V394 HydrophobicContact CG2-CG1 4Å; I373-I398 HydrophobicContact CG1-CB 4.22Å; I373-I398 HydrophobicContact CG1-CD1 4.24Å; I373-I398 HydrophobicContact CG1-CG1 4.21Å; I373-I398 HydrophobicContact CG2-CG2 4.29Å; I373-L412 HydrophobicContact CG2-CD2 4.17Å
374E97.2Very high95.1Very high0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-56.5-48.9176.9-77.5178.6-167.100111.5L239 H240 L370 C371 V378 L412 I415L239-E374 WeakPolarHBondContact CA-OE2 3.33Å; L239-E374 HydrophobicContact CD2-CB 3.75Å; L239-E374 HydrophobicContact CD2-CG 4.23Å; H240-E374 IonicContact CE1-OE1 2.7Å; H240-E374 IonicContact CG-OE1 3.87Å; H240-E374 PolarHBondContact N-OE2 3.47Å; H240-E374 IonicContact ND1-OE1 3.25Å; H240-E374 PolarHBondContact ND1-OE1 3.02Å; H240-E374 IonicContact ND1-OE2 3.9Å; L370-E374 WeakPolarHBondContact O-CB 3.27Å; L370-E374 VanDerWaalsContact O-CG 3.31Å; L370-E374 WeakPolarHBondContact O-CG 3.47Å; L370-E374 PolarHBondContact O-N 3.32Å; C371-E374 PolarHBondContact O-N 3.11Å; E374-V378 WeakPolarHBondContact O-CB 3.3Å; E374-V378 VanDerWaalsContact O-CG2 3.3Å; E374-V378 WeakPolarHBondContact O-CG2 3.45Å; E374-V378 PolarHBondContact O-N 2.92Å; E374-L412 HydrophobicContact CG-CD2 3.62Å; E374-I415 HydrophobicContact CG-CD1 4.05Å
375Q97.1Very high94.9Very high1 Ų141.7 Ų41.71%0.00522%0.221CC..Hα-helixtrans-65.9-45.3179.9-64.6-65.5-49.600111C371 E372 I373 L377 V378 M379 R519C371-Q375 WeakPolarHBondContact O-CB 3.39Å; C371-Q375 WeakPolarHBondContact O-CG 3.39Å; C371-Q375 PolarHBondContact O-N 3.3Å; E372-Q375 PolarHBondContact O-N 2.94Å; I373-Q375 PolarHBondContact O-N 2.94Å; Q375-L377 VanDerWaalsContact C-N 3.35Å; Q375-L377 PolarHBondContact O-N 3.36Å; Q375-V378 PolarHBondContact O-N 3.07Å; Q375-M379 WeakPolarHBondContact O-CB 3.07Å; Q375-M379 WeakPolarHBondContact O-CG 3.38Å; Q375-M379 PolarHBondContact O-N 3.28Å; Q375-R519 VanDerWaalsContact C-NH2 3.35Å; Q375-R519 PolarHBondContact O-NH2 2.95Å
376D96.3Very high95Very high20 Ų2039.2 Ų39.211%0.10721%0.212CC..Hα-helixtrans-60.7-44.3178.7-78.213.9000112E372 I373 G380 N382 I388 R519E372-D376 WeakPolarHBondContact O-CB 3.37Å; E372-D376 VanDerWaalsContact O-CG 3.28Å; E372-D376 PolarHBondContact O-N 3.27Å; I373-D376 PolarHBondContact O-N 3.45Å; D376-G380 WeakPolarHBondContact O-CA 3.41Å; D376-G380 PolarHBondContact O-N 2.9Å; D376-N382 WeakPolarHBondContact OD1-CA 3.41Å; D376-I388 HydrophobicContact CB-CD1 3.97Å; D376-I388 HydrophobicContact CB-CG1 4.21Å; D376-R519 IonicContact OD1-CZ 3.93Å; D376-R519 IonicContact OD1-NH2 3.78Å; D376-R519 PolarHBondContact OD1-NH2 3.27Å
377L95.9Very high95.2Very high3 Ų343.8 Ų43.82%0.01624%0.241CC..Hα-helixtrans-63-51.6177.5-73.4177.7000111.5I373 Q375 G380 P391 L395 L412 I415 I419I373-L377 HydrophobicContact CG2-CD1 3.71Å; I373-L377 HydrophobicContact CG2-CG 4.11Å; I373-L377 VanDerWaalsContact O-CB 3.27Å; I373-L377 WeakPolarHBondContact O-CB 3.31Å; I373-L377 WeakPolarHBondContact O-CG 3.37Å; I373-L377 PolarHBondContact O-N 3.42Å; Q375-L377 VanDerWaalsContact C-N 3.35Å; Q375-L377 PolarHBondContact O-N 3.36Å; L377-G380 PolarHBondContact O-N 3.25Å; L377-P391 HydrophobicContact CD2-CB 3.76Å; L377-L395 HydrophobicContact CD1-CD1 4.18Å; L377-L412 HydrophobicContact CD1-CD2 4.43Å; L377-I415 HydrophobicContact CB-CG2 4.46Å; L377-I419 HydrophobicContact CB-CD1 3.66Å; L377-I419 VanDerWaalsContact O-CD1 3.25Å; L377-I419 WeakPolarHBondContact O-CD1 3.43Å
378V95.9Very high95.1Very high1 Ų145 Ų451%0.00625%0.247CC..Hα-helixtrans-70.7-39-174.7173.50000112.1I235 L239 E374 Q375 G380 I415 I419 P501 W520I235-V378 HydrophobicContact CD1-CG1 4.02Å; I235-V378 HydrophobicContact CD1-CG2 4.09Å; I235-V378 HydrophobicContact CG2-CB 4.46Å; I235-V378 HydrophobicContact CG2-CG1 3.81Å; I235-V378 HydrophobicContact CG2-CG2 3.73Å; L239-V378 HydrophobicContact CD2-CG2 4.01Å; E374-V378 WeakPolarHBondContact O-CB 3.3Å; E374-V378 VanDerWaalsContact O-CG2 3.3Å; E374-V378 WeakPolarHBondContact O-CG2 3.45Å; E374-V378 PolarHBondContact O-N 2.92Å; Q375-V378 PolarHBondContact O-N 3.07Å; V378-G380 VanDerWaalsContact C-N 3.33Å; V378-I415 HydrophobicContact CG2-CG2 3.62Å; V378-I419 HydrophobicContact CG2-CD1 4.11Å; V378-P501 WeakPolarHBondContact O-CD 3.35Å; V378-W520 HydrophobicContact CG1-CD2 3.92Å; V378-W520 HydrophobicContact CG1-CE3 3.17Å; V378-W520 HydrophobicContact CG1-CH2 4.14Å; V378-W520 HydrophobicContact CG1-CZ3 3.28Å
379M95.1Very high95Very high18 Ų1849.1 Ų49.19%0.08927%0.274CS..Hα-helixtrans-74-28.2177.7-60.5-58.1-66.600111.8Q375 E381 P501 V510 R519 W520Q375-M379 WeakPolarHBondContact O-CB 3.07Å; Q375-M379 WeakPolarHBondContact O-CG 3.38Å; Q375-M379 PolarHBondContact O-N 3.28Å; M379-E381 HydrophobicContact CB-CG 4.17Å; M379-E381 PolarHBondContact O-N 3.04Å; M379-P501 HydrophobicContact CE-CB 4.4Å; M379-P501 HydrophobicContact CE-CG 4.15Å; M379-P501 HydrophobicContact SD-CG 3.87Å; M379-V510 HydrophobicContact CE-CG2 3.82Å; M379-R519 HydrophobicContact CE-CB 4.25Å; M379-R519 HydrophobicContact CG-CB 4.11Å; M379-R519 HydrophobicContact SD-CB 4.27Å; M379-W520 HydrophobicContact SD-CE3 4.34Å
380G94.1Very high94.9Very high23 Ų2348 Ų4824%0.23727%0.273CS..SBendtrans78.34.9-175.100000113.7D376 L377 V378 I388D376-G380 WeakPolarHBondContact O-CA 3.41Å; D376-G380 PolarHBondContact O-N 2.9Å; L377-G380 PolarHBondContact O-N 3.25Å; V378-G380 VanDerWaalsContact C-N 3.33Å; G380-I388 PolarHBondContact O-N 3.24Å
381E94.8Very high94.8Very high70 Ų7049.1 Ų49.133%0.32728%0.279SS..BIsolated β-bridgetrans-145.7152.6178.561.6-177.1-160.700109.3M379 E386 R519M379-E381 HydrophobicContact CB-CG 4.17Å; M379-E381 PolarHBondContact O-N 3.04Å; E381-E386 CarbonylContact C-O 3.46Å; E381-E386 WeakPolarHBondContact CA-O 3.26Å; E381-E386 WeakPolarHBondContact CB-O 3.26Å; E381-R519 VanDerWaalsContact O-CZ 3.29Å; E381-R519 PolarHBondContact O-NH1 2.88Å; E381-R519 PolarHBondContact O-NH2 2.96Å
382N94.6Very high94.6Very high31 Ų3152.9 Ų52.917%0.16630%0.298CS..  trans-76.2176.7174.770.916.1000111.8D376 K384 G385 E386 I388 R519D376-N382 WeakPolarHBondContact OD1-CA 3.41Å; N382-K384 PolarHBondContact O-N 3.1Å; N382-K384 WeakPolarHBondContact OD1-CA 3.26Å; N382-K384 WeakPolarHBondContact OD1-CB 3.38Å; N382-K384 PolarHBondContact OD1-N 3.32Å; N382-G385 PolarHBondContact O-N 3.26Å; N382-G385 PolarHBondContact OD1-N 3.31Å; N382-E386 PolarHBondContact N-O 3.19Å; N382-E386 PolarHBondContact ND2-OE2 3.02Å; N382-E386 WeakPolarHBondContact OD1-CB 3.43Å; N382-E386 PolarHBondContact OD1-N 3.42Å; N382-I388 HydrophobicContact CB-CD1 3.99Å; N382-R519 PolarHBondContact O-NH1 3.45Å; N382-R519 VanDerWaalsContact O-NH1 3.1Å
383A93.1Very high94.5Very high60 Ų6055.6 Ų55.650%0.49630%0.304SS..THydrogen-bonded Turntrans-61-13.9179.300000114.9A516A383-A516 HydrophobicContact CB-CB 3.71Å
384K92.7Very high94.3Very high175 Ų17556.3 Ų56.376%0.76131%0.309SS*.THydrogen-bonded Turntrans-92.2-1175.1-58177.6-177.1172.80113N382 E386N382-K384 PolarHBondContact O-N 3.1Å; N382-K384 WeakPolarHBondContact OD1-CA 3.26Å; N382-K384 WeakPolarHBondContact OD1-CB 3.38Å; N382-K384 PolarHBondContact OD1-N 3.32Å; K384-E386 VanDerWaalsContact C-N 3.34Å; K384-E386 HydrophobicContact CB-CG 4.22Å
385G91Very high94.1Very high41 Ų4156.3 Ų56.342%0.42331%0.309SS..SBendtrans79.214.8-174.800000113.7N382N382-G385 PolarHBondContact O-N 3.26Å; N382-G385 PolarHBondContact OD1-N 3.31Å
386E94.3Very high93.9Very high106 Ų10658.1 Ų58.150%0.49532%0.32SS..  trans-85.1130.4176.2-56.3169149.700109.2E381 N382 K384E381-E386 CarbonylContact C-O 3.46Å; E381-E386 WeakPolarHBondContact CA-O 3.26Å; E381-E386 WeakPolarHBondContact CB-O 3.26Å; N382-E386 PolarHBondContact N-O 3.19Å; N382-E386 PolarHBondContact ND2-OE2 3.02Å; N382-E386 WeakPolarHBondContact OD1-CB 3.43Å; N382-E386 PolarHBondContact OD1-N 3.42Å; K384-E386 VanDerWaalsContact C-N 3.34Å; K384-E386 HydrophobicContact CB-CG 4.22Å
387P95.1Very high93.7Very high98 Ų9859.9 Ų59.964%0.63633%0.329SS*.BIsolated β-bridgetrans-65.9141-176.627-34.6000111.8T389P387-T389 PolarHBondContact O-N 2.6Å; P387-T389 VanDerWaalsContact O-N 3.16Å
388I94.8Very high93.6Very high32 Ų3260 Ų6016%0.16433%0.33CS..  trans-76.3105.3176.4-54.6-55.3000109.6D376 G380 N382 P391 V394D376-I388 HydrophobicContact CB-CD1 3.97Å; D376-I388 HydrophobicContact CB-CG1 4.21Å; G380-I388 PolarHBondContact O-N 3.24Å; N382-I388 HydrophobicContact CB-CD1 3.99Å; I388-P391 HydrophobicContact CG2-CB 4.28Å; I388-P391 HydrophobicContact CG2-CG 3.92Å; I388-V394 HydrophobicContact CG2-CG2 4.12Å
389T91.8Very high93.4Very high138 Ų13860.4 Ų60.485%0.84733%0.332SS*.SBendtrans-73.4-36.8-175.357.60000113.5P387P387-T389 PolarHBondContact O-N 2.6Å; P387-T389 VanDerWaalsContact O-N 3.16Å
390D94Very high93.1Very high64 Ų6466.3 Ų66.334%0.34236%0.357SS..  trans-131.881.3179.6-170.7-8.2000111.4M392 R393 V394D390-M392 PolarHBondContact O-N 2.89Å; D390-M392 PolarHBondContact OD1-N 2.71Å; D390-R393 HydrophobicContact CB-CB 4.08Å; D390-R393 VanDerWaalsContact CG-CB 3.48Å; D390-R393 PolarHBondContact O-N 3.1Å; D390-R393 PolarHBondContact OD1-N 3.22Å; D390-R393 VanDerWaalsContact OD1-N 3.1Å; D390-R393 WeakPolarHBondContact OD2-CB 3.24Å; D390-V394 WeakPolarHBondContact O-CG2 3.46Å; D390-V394 PolarHBondContact O-N 3.32Å
391P93.5Very high92.7Very high22 Ų2270.9 Ų70.914%0.14337%0.368CS..Hα-helixtrans-59.4-27.1179.2-25.634.5000113.7L377 I388 L395 F416L377-P391 HydrophobicContact CD2-CB 3.76Å; I388-P391 HydrophobicContact CG2-CB 4.28Å; I388-P391 HydrophobicContact CG2-CG 3.92Å; P391-L395 WeakPolarHBondContact O-CB 3.41Å; P391-L395 PolarHBondContact O-N 3.44Å; P391-L395 VanDerWaalsContact O-N 3.14Å; P391-F416 HydrophobicContact CB-CE2 4.08Å
392M93.5Very high92.1Very high79 Ų7974.8 Ų74.839%0.38939%0.391SS..Hα-helixtrans-73.3-42-178.7177.9-175.458.900110.7D390 V394 L395 V396 F416D390-M392 PolarHBondContact O-N 2.89Å; D390-M392 PolarHBondContact OD1-N 2.71Å; M392-V394 VanDerWaalsContact C-N 3.35Å; M392-L395 WeakPolarHBondContact O-CB 3.28Å; M392-L395 PolarHBondContact O-N 3.36Å; M392-V396 HydrophobicContact CG-CG2 4.42Å; M392-V396 WeakPolarHBondContact O-CG2 3.23Å; M392-V396 PolarHBondContact O-N 2.82Å; M392-F416 HydrophobicContact CB-CE2 4.38Å; M392-F416 HydrophobicContact CB-CZ 4.1Å
393R93.6Very high91.7Very high163 Ų16376.5 Ų76.562%0.61540%0.397SS*.Hα-helixtrans-60.6-46.4175.4178.2174.7179.6166.2-0.1111.6D390 L395 V396 D397D390-R393 HydrophobicContact CB-CB 4.08Å; D390-R393 VanDerWaalsContact CG-CB 3.48Å; D390-R393 PolarHBondContact O-N 3.1Å; D390-R393 PolarHBondContact OD1-N 3.22Å; D390-R393 VanDerWaalsContact OD1-N 3.1Å; D390-R393 WeakPolarHBondContact OD2-CB 3.24Å; R393-L395 VanDerWaalsContact C-N 3.26Å; R393-L395 PolarHBondContact O-N 2.88Å; R393-V396 PolarHBondContact O-N 3.13Å; R393-D397 WeakPolarHBondContact CG-OD2 3.42Å; R393-D397 IonicContact NE-OD2 3.15Å; R393-D397 WeakPolarHBondContact O-CB 3.18Å; R393-D397 VanDerWaalsContact O-CG 3.28Å; R393-D397 PolarHBondContact O-N 3.44Å
394V92.5Very high91.1Very high38 Ų3874 Ų7423%0.2338%0.375CS..Hα-helixtrans-55-45.1176.5175.80000110.8I373 I388 D390 M392 I398I373-V394 HydrophobicContact CD1-CG1 3.32Å; I373-V394 HydrophobicContact CG1-CG1 4.49Å; I373-V394 HydrophobicContact CG2-CG1 4Å; I388-V394 HydrophobicContact CG2-CG2 4.12Å; D390-V394 WeakPolarHBondContact O-CG2 3.46Å; D390-V394 PolarHBondContact O-N 3.32Å; M392-V394 VanDerWaalsContact C-N 3.35Å; V394-I398 PolarHBondContact O-N 3.4Å
395L93.5Very high91Very high0 Ų068.1 Ų68.10%036%0.357CS..Hα-helixtrans-66.5-44.6177.2-176.171.9000113.6L377 P391 M392 R393 D397 I398 F399 L412 L413 F416 L431L377-L395 HydrophobicContact CD1-CD1 4.18Å; P391-L395 WeakPolarHBondContact O-CB 3.41Å; P391-L395 PolarHBondContact O-N 3.44Å; P391-L395 VanDerWaalsContact O-N 3.14Å; M392-L395 WeakPolarHBondContact O-CB 3.28Å; M392-L395 PolarHBondContact O-N 3.36Å; R393-L395 VanDerWaalsContact C-N 3.26Å; R393-L395 PolarHBondContact O-N 2.88Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-I398 WeakPolarHBondContact O-CG2 3.45Å; L395-F399 HydrophobicContact CD1-CE1 4.22Å; L395-F399 HydrophobicContact CD1-CE2 4.02Å; L395-F399 HydrophobicContact CD1-CZ 3.54Å; L395-F399 HydrophobicContact CD2-CE2 4.19Å; L395-F399 HydrophobicContact CD2-CZ 4.38Å; L395-F399 HydrophobicContact CG-CE2 3.64Å; L395-F399 HydrophobicContact CG-CZ 3.73Å; L395-F399 WeakPolarHBondContact O-CD2 3.4Å; L395-F399 WeakPolarHBondContact O-CG 3.35Å; L395-L412 HydrophobicContact CD1-CB 3.79Å; L395-L413 HydrophobicContact CD2-CD2 4.21Å; L395-F416 HydrophobicContact CD2-CB 3.8Å; L395-F416 HydrophobicContact CD2-CD1 3.86Å; L395-F416 HydrophobicContact CD2-CD2 3.7Å; L395-F416 HydrophobicContact CD2-CE1 4.3Å; L395-F416 HydrophobicContact CD2-CE2 4.15Å; L395-F416 HydrophobicContact CD2-CG 3.52Å; L395-F416 HydrophobicContact CD2-CZ 4.42Å; L395-L431 HydrophobicContact CD2-CD2 4.47Å
396V92.4Very high91.1Very high38 Ų3869.5 Ų69.523%0.2336%0.357CS..Hα-helixtrans-69.9-34.3-179.2168.60000111.4M392 R393 I398 F399M392-V396 HydrophobicContact CG-CG2 4.42Å; M392-V396 WeakPolarHBondContact O-CG2 3.23Å; M392-V396 PolarHBondContact O-N 2.82Å; R393-V396 PolarHBondContact O-N 3.13Å; V396-I398 PolarHBondContact O-N 3.48Å; V396-F399 PolarHBondContact O-N 2.91Å
397D92.5Very high91.1Very high57 Ų5767.6 Ų67.631%0.30535%0.348SS..Hα-helixtrans-65.5-37.2179.3-76.2-22.7000111.9R393 L395 F399 K400R393-D397 WeakPolarHBondContact CG-OD2 3.42Å; R393-D397 IonicContact NE-OD2 3.15Å; R393-D397 WeakPolarHBondContact O-CB 3.18Å; R393-D397 VanDerWaalsContact O-CG 3.28Å; R393-D397 PolarHBondContact O-N 3.44Å; L395-D397 VanDerWaalsContact C-N 3.34Å; D397-F399 VanDerWaalsContact C-N 3.33Å; D397-F399 PolarHBondContact O-N 3.24Å; D397-K400 WeakPolarHBondContact O-CB 3.33Å; D397-K400 PolarHBondContact O-N 3.49Å; D397-K400 IonicContact OD1-NZ 2.72Å; D397-K400 PolarHBondContact OD1-NZ 2.82Å
398I92.7Very high91.1Very high7 Ų764.2 Ų64.24%0.03632%0.324CS..Hα-helixtrans-69.1-29.7177.4-167.167000112.7K369 L370 I373 V394 L395 V396 K400 Y401 F403 L412K369-I398 HydrophobicContact CB-CD1 4.14Å; L370-I398 HydrophobicContact CD2-CG1 4.14Å; I373-I398 HydrophobicContact CG1-CB 4.22Å; I373-I398 HydrophobicContact CG1-CD1 4.24Å; I373-I398 HydrophobicContact CG1-CG1 4.21Å; I373-I398 HydrophobicContact CG2-CG2 4.29Å; V394-I398 PolarHBondContact O-N 3.4Å; L395-I398 WeakPolarHBondContact O-CG2 3.45Å; V396-I398 PolarHBondContact O-N 3.48Å; I398-K400 PolarHBondContact O-N 2.88Å; I398-Y401 HydrophobicContact CD1-CD2 4.03Å; I398-Y401 HydrophobicContact CD1-CE2 4.41Å; I398-Y401 WeakPolarHBondContact O-CD2 3.31Å; I398-Y401 PolarHBondContact O-N 2.9Å; I398-F403 HydrophobicContact CD1-CZ 3.94Å; I398-L412 HydrophobicContact CG2-CD1 3.86Å
399F91.5Very high91.2Very high9 Ų963.4 Ų63.44%0.03932%0.318CS..THydrogen-bonded Turntrans-71-11.4178-61.4-30.5000114.4L395 V396 D397 Y401 R409 L412 L413 A435L395-F399 HydrophobicContact CD1-CE1 4.22Å; L395-F399 HydrophobicContact CD1-CE2 4.02Å; L395-F399 HydrophobicContact CD1-CZ 3.54Å; L395-F399 HydrophobicContact CD2-CE2 4.19Å; L395-F399 HydrophobicContact CD2-CZ 4.38Å; L395-F399 HydrophobicContact CG-CE2 3.64Å; L395-F399 HydrophobicContact CG-CZ 3.73Å; L395-F399 WeakPolarHBondContact O-CD2 3.4Å; L395-F399 WeakPolarHBondContact O-CG 3.35Å; V396-F399 PolarHBondContact O-N 2.91Å; D397-F399 VanDerWaalsContact C-N 3.33Å; D397-F399 PolarHBondContact O-N 3.24Å; F399-Y401 PolarHBondContact O-N 3.36Å; F399-R409 HydrophobicContact CD1-CB 4.33Å; F399-R409 HydrophobicContact CD1-CG 3.87Å; F399-R409 HydrophobicContact CE1-CB 4.01Å; F399-R409 HydrophobicContact CE1-CG 4.01Å; F399-L412 HydrophobicContact CE1-CB 4.16Å; F399-L412 HydrophobicContact CE1-CD1 3.84Å; F399-L412 HydrophobicContact CZ-CB 4.27Å; F399-L413 HydrophobicContact CE2-CD2 3.87Å; F399-L413 HydrophobicContact CE2-CG 4.43Å; F399-L413 HydrophobicContact CZ-CD2 3.86Å; F399-L413 HydrophobicContact CZ-CG 3.99Å; F399-A435 HydrophobicContact CD1-CB 4.34Å; F399-A435 HydrophobicContact CD2-CB 3.7Å; F399-A435 HydrophobicContact CE1-CB 4.31Å; F399-A435 HydrophobicContact CE2-CB 3.65Å; F399-A435 HydrophobicContact CG-CB 4.05Å; F399-A435 HydrophobicContact CZ-CB 3.97Å
400K88.3Confident91.4Very high141 Ų14157 Ų5761%0.61328%0.279SS*.THydrogen-bonded Turntrans-73.7-13.7175.2-63.5172-177.9166.20113D397 I398D397-K400 WeakPolarHBondContact O-CB 3.33Å; D397-K400 PolarHBondContact O-N 3.49Å; D397-K400 IonicContact OD1-NZ 2.72Å; D397-K400 PolarHBondContact OD1-NZ 2.82Å; I398-K400 PolarHBondContact O-N 2.88Å
401Y86.2Confident91.5Very high120 Ų12054 Ų5447%0.47126%0.263SS..SBendtrans-90.5139179.7-62.5-82000111.6I398 F399 F403 T404 R409I398-Y401 HydrophobicContact CD1-CD2 4.03Å; I398-Y401 HydrophobicContact CD1-CE2 4.41Å; I398-Y401 WeakPolarHBondContact O-CD2 3.31Å; I398-Y401 PolarHBondContact O-N 2.9Å; F399-Y401 PolarHBondContact O-N 3.36Å; Y401-F403 VanDerWaalsContact C-N 3.32Å; Y401-F403 HydrophobicContact CD1-CD1 4.49Å; Y401-F403 AromaticContact CD1-CE1 3.98Å; Y401-F403 HydrophobicContact CD1-CE1 3.98Å; Y401-F403 HydrophobicContact CD2-CE1 4.18Å; Y401-F403 HydrophobicContact CG-CD1 4.22Å; Y401-F403 AromaticContact CG-CE1 3.57Å; Y401-F403 HydrophobicContact CG-CE1 3.57Å; Y401-F403 HydrophobicContact CG-CZ 4.32Å; Y401-F403 PolarHBondContact O-N 3.37Å; Y401-T404 PolarHBondContact O-OG1 3.1Å; Y401-R409 PolarHBondContact O-NH2 3.28Å
402D83.1Confident91.7Very high151 Ų15153 Ų5381%0.80726%0.256SS*.THydrogen-bonded Turntrans-79.2-11.7-176.6-64.9-32.6000114T404D402-T404 VanDerWaalsContact C-N 3.28Å; D402-T404 PolarHBondContact O-N 2.8Å
403F85Confident91.8Very high67 Ų6749.3 Ų49.329%0.29424%0.238SC..THydrogen-bonded Turntrans-74.8-17.3-176.466-105000113.6G366 K369 L370 I398 Y401G366-F403 VanDerWaalsContact O-CE2 3.28Å; G366-F403 WeakPolarHBondContact O-CE2 3.49Å; K369-F403 HydrophobicContact CB-CZ 4.04Å; K369-F403 HydrophobicContact CD-CE1 3.87Å; K369-F403 HydrophobicContact CD-CZ 3.79Å; L370-F403 HydrophobicContact CG-CE2 4.2Å; I398-F403 HydrophobicContact CD1-CZ 3.94Å; Y401-F403 VanDerWaalsContact C-N 3.32Å; Y401-F403 HydrophobicContact CD1-CD1 4.49Å; Y401-F403 AromaticContact CD1-CE1 3.98Å; Y401-F403 HydrophobicContact CD1-CE1 3.98Å; Y401-F403 HydrophobicContact CD2-CE1 4.18Å; Y401-F403 HydrophobicContact CG-CD1 4.22Å; Y401-F403 AromaticContact CG-CE1 3.57Å; Y401-F403 HydrophobicContact CG-CE1 3.57Å; Y401-F403 HydrophobicContact CG-CZ 4.32Å; Y401-F403 PolarHBondContact O-N 3.37Å
404T80.5Confident92Very high7 Ų741.6 Ų41.64%0.04321%0.209CC..  trans-81.7122.7-176.559.10000110.8L370 Y401 D402 E408 R409L370-T404 HydrophobicContact CD2-CG2 3.83Å; L370-T404 HydrophobicContact CG-CG2 4.43Å; Y401-T404 PolarHBondContact O-OG1 3.1Å; D402-T404 VanDerWaalsContact C-N 3.28Å; D402-T404 PolarHBondContact O-N 2.8Å; T404-E408 WeakPolarHBondContact CA-OE2 3.49Å; T404-R409 PolarHBondContact OG1-NE 3.22Å; T404-R409 PolarHBondContact OG1-NH2 3Å
405S91.5Very high92.2Very high53 Ų5339.8 Ų39.837%0.37120%0.198SC..  trans-67.5162.1170.967.80000112.4E407 E408 R409S405-E407 PolarHBondContact O-N 3.31Å; S405-E408 WeakPolarHBondContact CB-OE2 3.43Å; S405-E408 PolarHBondContact N-OE2 3.39Å; S405-E408 PolarHBondContact O-N 2.92Å; S405-E408 VanDerWaalsContact OG-CD 3.28Å; S405-E408 VanDerWaalsContact OG-CG 3.26Å; S405-E408 WeakPolarHBondContact OG-CG 3.17Å; S405-E408 PolarHBondContact OG-N 2.93Å; S405-E408 PolarHBondContact OG-OE2 3.15Å; S405-R409 WeakPolarHBondContact O-CG 3.33Å; S405-R409 PolarHBondContact O-N 2.9Å
406V93.2Very high92.4Very high70 Ų7039.9 Ų39.942%0.42420%0.199SC..Hα-helixtrans-58.1-36.8174.4177.50000111.2L410 V437 F441V406-L410 VanDerWaalsContact O-CB 3.32Å; V406-L410 WeakPolarHBondContact O-CB 3.37Å; V406-L410 PolarHBondContact O-N 3.3Å; V406-V437 HydrophobicContact CG1-CG1 4.38Å; V406-V437 HydrophobicContact CG1-CG2 4.42Å; V406-F441 HydrophobicContact CG1-CE2 3.94Å; V406-F441 HydrophobicContact CG1-CZ 4.31Å
407E94.3Very high92.5Very high65 Ų6538.1 Ų38.130%0.30419%0.188SC..Hα-helixtrans-62.6-49.6177.9-168.5-175.3138.500111.6S405 R409 L410 R411 L687S405-E407 PolarHBondContact O-N 3.31Å; E407-R409 PolarHBondContact O-N 3.28Å; E407-L410 WeakPolarHBondContact O-CB 3.43Å; E407-L410 PolarHBondContact O-N 3.23Å; E407-R411 WeakPolarHBondContact O-CG 3.41Å; E407-R411 PolarHBondContact O-N 2.73Å; E407-L687 HydrophobicContact CG-CD1 3.42Å; E407-L687 VanDerWaalsContact CG-CD1 3.42Å
408E95.1Very high92.5Very high28 Ų2835.4 Ų35.413%0.13117%0.174CC..Hα-helixtrans-63.9-40.8179.3-68.4162.2140.700111.8L370 T404 S405 L410 R411 L412L370-E408 HydrophobicContact CD1-CB 3.87Å; L370-E408 HydrophobicContact CD1-CG 3.77Å; L370-E408 VanDerWaalsContact CD1-OE1 3.23Å; L370-E408 WeakPolarHBondContact CD1-OE1 3.44Å; T404-E408 WeakPolarHBondContact CA-OE2 3.49Å; S405-E408 WeakPolarHBondContact CB-OE2 3.43Å; S405-E408 PolarHBondContact N-OE2 3.39Å; S405-E408 PolarHBondContact O-N 2.92Å; S405-E408 VanDerWaalsContact OG-CD 3.28Å; S405-E408 VanDerWaalsContact OG-CG 3.26Å; S405-E408 WeakPolarHBondContact OG-CG 3.17Å; S405-E408 PolarHBondContact OG-N 2.93Å; S405-E408 PolarHBondContact OG-OE2 3.15Å; E408-L410 VanDerWaalsContact C-N 3.32Å; E408-L410 PolarHBondContact O-N 3.34Å; E408-R411 PolarHBondContact O-N 3.02Å; E408-L412 PolarHBondContact O-N 3.45Å
409R95.8Very high92.5Very high14 Ų1436 Ų365%0.05318%0.177CC..Hα-helixtrans-62.1-41.4174.5-66.4-174.3-176.2164.71.8111.4F399 Y401 T404 S405 E407 L412 L413 A435 V437F399-R409 HydrophobicContact CD1-CB 4.33Å; F399-R409 HydrophobicContact CD1-CG 3.87Å; F399-R409 HydrophobicContact CE1-CB 4.01Å; F399-R409 HydrophobicContact CE1-CG 4.01Å; Y401-R409 PolarHBondContact O-NH2 3.28Å; T404-R409 PolarHBondContact OG1-NE 3.22Å; T404-R409 PolarHBondContact OG1-NH2 3Å; S405-R409 WeakPolarHBondContact O-CG 3.33Å; S405-R409 PolarHBondContact O-N 2.9Å; E407-R409 PolarHBondContact O-N 3.28Å; R409-L412 PolarHBondContact O-N 2.9Å; R409-L413 VanDerWaalsContact O-CG 3.31Å; R409-L413 WeakPolarHBondContact O-CG 3.36Å; R409-L413 PolarHBondContact O-N 3.14Å; R409-A435 HydrophobicContact CB-CB 4.43Å; R409-A435 WeakPolarHBondContact CD-O 3.4Å; R409-A435 PolarHBondContact NH1-O 3.38Å; R409-V437 HydrophobicContact CB-CG2 3.82Å
410L96.1Very high92.4Very high4 Ų439.9 Ų39.92%0.02119%0.193CC..Hα-helixtrans-65.3-42.2176.2-178.762.6000112V406 E407 E408 L412 L413 L414 F441 L444 F445 L687V406-L410 VanDerWaalsContact O-CB 3.32Å; V406-L410 WeakPolarHBondContact O-CB 3.37Å; V406-L410 PolarHBondContact O-N 3.3Å; E407-L410 WeakPolarHBondContact O-CB 3.43Å; E407-L410 PolarHBondContact O-N 3.23Å; E408-L410 VanDerWaalsContact C-N 3.32Å; E408-L410 PolarHBondContact O-N 3.34Å; L410-L412 PolarHBondContact O-N 3Å; L410-L413 PolarHBondContact O-N 3.18Å; L410-L414 HydrophobicContact CD1-CD1 4.45Å; L410-L414 HydrophobicContact CD1-CG 4.42Å; L410-L414 HydrophobicContact CG-CD1 4.15Å; L410-L414 WeakPolarHBondContact O-CG 3.32Å; L410-L414 PolarHBondContact O-N 3.25Å; L410-F441 HydrophobicContact CD1-CB 4.21Å; L410-F441 HydrophobicContact CD2-CD1 3.81Å; L410-F441 HydrophobicContact CD2-CE1 4.25Å; L410-F441 HydrophobicContact CD2-CG 4.27Å; L410-L444 HydrophobicContact CD2-CD2 3.72Å; L410-F445 HydrophobicContact CD1-CE2 3.99Å; L410-F445 HydrophobicContact CD1-CZ 4.06Å; L410-L687 HydrophobicContact CD2-CD1 4.41Å; L410-L687 HydrophobicContact CD2-CD2 4.08Å; L410-L687 HydrophobicContact CG-CD2 4.31Å
411R97.1Very high92.3Very high2 Ų235.2 Ų35.21%0.00817%0.174CC..Hα-helixtrans-55.3-50174-72.4167.563.71681.9111.1L238 L239 H240 D250 E407 E408 L413 L414 I415 P683 L687L238-R411 HydrophobicContact CD2-CG 4.33Å; L238-R411 VanDerWaalsContact O-CZ 3.27Å; L238-R411 PolarHBondContact O-NE 3.39Å; L238-R411 PolarHBondContact O-NH2 3.37Å; L239-R411 PolarHBondContact O-NH2 3.14Å; H240-R411 VanDerWaalsContact CE1-CZ 3.48Å; H240-R411 PolarHBondContact CE1-NH1 3.02Å; H240-R411 PolarHBondContact ND1-NH2 3.37Å; H240-R411 PolarHBondContact NE2-NH1 3.23Å; D250-R411 IonicContact OD1-CZ 3.69Å; D250-R411 IonicContact OD1-NH1 3.88Å; D250-R411 PolarHBondContact OD1-NH1 3.18Å; D250-R411 IonicContact OD2-CZ 2.8Å; D250-R411 IonicContact OD2-NH1 2.86Å; D250-R411 PolarHBondContact OD2-NH1 2.77Å; D250-R411 IonicContact OD2-NH2 3.53Å; D250-R411 PolarHBondContact OD2-NH2 2.99Å; E407-R411 WeakPolarHBondContact O-CG 3.41Å; E407-R411 PolarHBondContact O-N 2.73Å; E408-R411 PolarHBondContact O-N 3.02Å; R411-L413 PolarHBondContact O-N 3.08Å; R411-L414 PolarHBondContact O-N 3.07Å; R411-I415 WeakPolarHBondContact O-CG1 3.39Å; R411-I415 PolarHBondContact O-N 2.94Å; R411-P683 VanDerWaalsContact CZ-CB 3.42Å; R411-L687 HydrophobicContact CG-CD1 4.22Å
412L96.9Very high92.1Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-60-41.6177.4-75.4175.4000112.9L370 I373 E374 L377 L395 I398 F399 E408 R409 L410 I415 F416L370-L412 HydrophobicContact CD2-CD1 3.65Å; L370-L412 HydrophobicContact CD2-CG 4.47Å; I373-L412 HydrophobicContact CG2-CD2 4.17Å; E374-L412 HydrophobicContact CG-CD2 3.62Å; L377-L412 HydrophobicContact CD1-CD2 4.43Å; L395-L412 HydrophobicContact CD1-CB 3.79Å; I398-L412 HydrophobicContact CG2-CD1 3.86Å; F399-L412 HydrophobicContact CE1-CB 4.16Å; F399-L412 HydrophobicContact CE1-CD1 3.84Å; F399-L412 HydrophobicContact CZ-CB 4.27Å; E408-L412 PolarHBondContact O-N 3.45Å; R409-L412 PolarHBondContact O-N 2.9Å; L410-L412 PolarHBondContact O-N 3Å; L412-I415 PolarHBondContact O-N 3.09Å; L412-F416 VanDerWaalsContact O-CB 3.3Å; L412-F416 WeakPolarHBondContact O-CB 3.44Å; L412-F416 PolarHBondContact O-N 3.31Å
413L96.9Very high92.5Very high1 Ų124 Ų241%0.00513%0.125CC..Hα-helixtrans-65.2-39.6176.8-70.7176.2000112.6L395 F399 R409 L410 R411 F416 T417 L431 L432 A435 V437 F445L395-L413 HydrophobicContact CD2-CD2 4.21Å; F399-L413 HydrophobicContact CE2-CD2 3.87Å; F399-L413 HydrophobicContact CE2-CG 4.43Å; F399-L413 HydrophobicContact CZ-CD2 3.86Å; F399-L413 HydrophobicContact CZ-CG 3.99Å; R409-L413 VanDerWaalsContact O-CG 3.31Å; R409-L413 WeakPolarHBondContact O-CG 3.36Å; R409-L413 PolarHBondContact O-N 3.14Å; L410-L413 PolarHBondContact O-N 3.18Å; R411-L413 PolarHBondContact O-N 3.08Å; L413-F416 PolarHBondContact O-N 2.9Å; L413-T417 WeakPolarHBondContact O-CB 3.46Å; L413-T417 PolarHBondContact O-N 3.03Å; L413-T417 PolarHBondContact O-OG1 3.48Å; L413-L431 HydrophobicContact CD2-CB 3.9Å; L413-L432 HydrophobicContact CD1-CD2 3.82Å; L413-A435 HydrophobicContact CD1-CB 3.93Å; L413-A435 HydrophobicContact CG-CB 4.49Å; L413-V437 HydrophobicContact CD1-CG2 4.29Å; L413-F445 HydrophobicContact CB-CE1 4.18Å; L413-F445 HydrophobicContact CB-CZ 3.89Å
414L97.2Very high92.9Very high1 Ų122.9 Ų22.91%0.00513%0.128CC..Hα-helixtrans-66.7-45.1176-68.4166.6000111L238 L410 R411 F416 T417 L418 F445 L448 L687 L690L238-L414 HydrophobicContact CD1-CB 3.77Å; L238-L414 HydrophobicContact CD2-CB 4.37Å; L238-L414 HydrophobicContact CD2-CD1 3.96Å; L410-L414 HydrophobicContact CD1-CD1 4.45Å; L410-L414 HydrophobicContact CD1-CG 4.42Å; L410-L414 HydrophobicContact CG-CD1 4.15Å; L410-L414 WeakPolarHBondContact O-CG 3.32Å; L410-L414 PolarHBondContact O-N 3.25Å; R411-L414 PolarHBondContact O-N 3.07Å; L414-F416 PolarHBondContact O-N 3.24Å; L414-T417 WeakPolarHBondContact O-CB 3.39Å; L414-T417 PolarHBondContact O-N 3.06Å; L414-L418 WeakPolarHBondContact O-CG 3.24Å; L414-L418 PolarHBondContact O-N 3.49Å; L414-L418 VanDerWaalsContact O-N 3.08Å; L414-F445 HydrophobicContact CD2-CD1 3.8Å; L414-F445 HydrophobicContact CD2-CD2 4.48Å; L414-F445 HydrophobicContact CD2-CE1 3.75Å; L414-F445 HydrophobicContact CD2-CE2 4.44Å; L414-F445 HydrophobicContact CD2-CG 4.17Å; L414-F445 HydrophobicContact CD2-CZ 4.08Å; L414-F445 HydrophobicContact CG-CE1 4.28Å; L414-F445 HydrophobicContact CG-CZ 4.42Å; L414-L448 HydrophobicContact CB-CD2 4.45Å; L414-L448 HydrophobicContact CD2-CD2 3.89Å; L414-L687 HydrophobicContact CD1-CD2 3.41Å; L414-L687 VanDerWaalsContact CD1-CD2 3.41Å; L414-L690 HydrophobicContact CD1-CD1 3.92Å; L414-L690 HydrophobicContact CD2-CD1 4.41Å
415I96.8Very high93.5Very high0 Ų023.3 Ų23.30%013%0.129CC..Hα-helixtrans-55.6-50.9173-72.9166.8000110.2L238 L239 E374 L377 V378 R411 L412 T417 L418 I419L238-I415 HydrophobicContact CB-CD1 3.93Å; L238-I415 HydrophobicContact CB-CG1 3.77Å; L238-I415 HydrophobicContact CD1-CG1 3.94Å; L239-I415 HydrophobicContact CD2-CD1 3.86Å; E374-I415 HydrophobicContact CG-CD1 4.05Å; L377-I415 HydrophobicContact CB-CG2 4.46Å; V378-I415 HydrophobicContact CG2-CG2 3.62Å; R411-I415 WeakPolarHBondContact O-CG1 3.39Å; R411-I415 PolarHBondContact O-N 2.94Å; L412-I415 PolarHBondContact O-N 3.09Å; I415-T417 VanDerWaalsContact C-N 3.29Å; I415-T417 PolarHBondContact O-N 3.31Å; I415-L418 WeakPolarHBondContact O-CB 3.45Å; I415-L418 PolarHBondContact O-N 2.85Å; I415-L418 VanDerWaalsContact O-N 3.12Å; I415-I419 HydrophobicContact CG2-CD1 3.46Å; I415-I419 VanDerWaalsContact CG2-CD1 3.46Å; I415-I419 HydrophobicContact CG2-CG1 4.46Å; I415-I419 WeakPolarHBondContact O-CD1 3.45Å; I415-I419 WeakPolarHBondContact O-CG1 3.31Å; I415-I419 PolarHBondContact O-N 3.4Å
416F96.1Very high93.5Very high3 Ų325.4 Ų25.41%0.01314%0.14CC..Hα-helixtrans-59.6-39.8179.6-178.3-101.8000112.4P391 M392 L395 L412 L413 L414 L418 I419 K420 F423 L431P391-F416 HydrophobicContact CB-CE2 4.08Å; M392-F416 HydrophobicContact CB-CE2 4.38Å; M392-F416 HydrophobicContact CB-CZ 4.1Å; L395-F416 HydrophobicContact CD2-CB 3.8Å; L395-F416 HydrophobicContact CD2-CD1 3.86Å; L395-F416 HydrophobicContact CD2-CD2 3.7Å; L395-F416 HydrophobicContact CD2-CE1 4.3Å; L395-F416 HydrophobicContact CD2-CE2 4.15Å; L395-F416 HydrophobicContact CD2-CG 3.52Å; L395-F416 HydrophobicContact CD2-CZ 4.42Å; L412-F416 VanDerWaalsContact O-CB 3.3Å; L412-F416 WeakPolarHBondContact O-CB 3.44Å; L412-F416 PolarHBondContact O-N 3.31Å; L413-F416 PolarHBondContact O-N 2.9Å; L414-F416 PolarHBondContact O-N 3.24Å; F416-L418 VanDerWaalsContact C-N 3.33Å; F416-L418 PolarHBondContact O-N 3.22Å; F416-I419 PolarHBondContact O-N 3.16Å; F416-K420 HydrophobicContact CD1-CG 4.15Å; F416-K420 HydrophobicContact CD2-CG 4.17Å; F416-K420 HydrophobicContact CE1-CG 3.72Å; F416-K420 HydrophobicContact CE2-CD 4.28Å; F416-K420 HydrophobicContact CE2-CG 3.76Å; F416-K420 HydrophobicContact CG-CG 4.36Å; F416-K420 HydrophobicContact CZ-CD 4.15Å; F416-K420 HydrophobicContact CZ-CG 3.53Å; F416-K420 WeakPolarHBondContact O-CB 3.5Å; F416-K420 PolarHBondContact O-N 3.23Å; F416-F423 AromaticContact CD1-CE1 3.88Å; F416-F423 HydrophobicContact CD1-CE1 3.88Å; F416-F423 HydrophobicContact CD1-CZ 4.37Å; F416-F423 AromaticContact CE1-CE1 3.99Å; F416-F423 HydrophobicContact CE1-CE1 3.99Å; F416-L431 HydrophobicContact CD1-CD1 4.13Å; F416-L431 HydrophobicContact CE1-CD1 3.9Å
417T94.9Very high93.5Very high1 Ų125.2 Ų25.21%0.00613%0.134CC..Hα-helixtrans-60.9-42.5176.1-58.20000111.9L413 L414 I415 E421 G422 F423 F445 L456 I457L413-T417 WeakPolarHBondContact O-CB 3.46Å; L413-T417 PolarHBondContact O-N 3.03Å; L413-T417 PolarHBondContact O-OG1 3.48Å; L414-T417 WeakPolarHBondContact O-CB 3.39Å; L414-T417 PolarHBondContact O-N 3.06Å; I415-T417 VanDerWaalsContact C-N 3.29Å; I415-T417 PolarHBondContact O-N 3.31Å; T417-E421 PolarHBondContact O-N 3.14Å; T417-G422 PolarHBondContact O-N 3.01Å; T417-F423 HydrophobicContact CG2-CE1 4.29Å; T417-F445 HydrophobicContact CG2-CD1 4.27Å; T417-F445 WeakPolarHBondContact OG1-CE1 3.47Å; T417-L456 HydrophobicContact CG2-CB 3.88Å; T417-L456 HydrophobicContact CG2-CD1 4.28Å; T417-L456 HydrophobicContact CG2-CG 4.48Å; T417-I457 HydrophobicContact CG2-CD1 3.9Å
418L94Very high93.5Very high0 Ų022.1 Ų22.10%012%0.12CC..Hα-helixtrans-67.5-36.2177.9-68.9164.9000112.4P234 I235 L238 L414 I415 F416 L448 M452 L456 Q497P234-L418 HydrophobicContact CB-CD1 3.92Å; P234-L418 HydrophobicContact CB-CD2 4.21Å; P234-L418 HydrophobicContact CG-CD1 3.69Å; P234-L418 HydrophobicContact CG-CD2 3.53Å; P234-L418 HydrophobicContact CG-CG 4.21Å; I235-L418 HydrophobicContact CD1-CB 4.49Å; I235-L418 HydrophobicContact CG1-CB 4.3Å; I235-L418 HydrophobicContact CG1-CD1 3.86Å; L238-L418 HydrophobicContact CD1-CD1 4.04Å; L414-L418 WeakPolarHBondContact O-CG 3.24Å; L414-L418 PolarHBondContact O-N 3.49Å; L414-L418 VanDerWaalsContact O-N 3.08Å; I415-L418 WeakPolarHBondContact O-CB 3.45Å; I415-L418 PolarHBondContact O-N 2.85Å; I415-L418 VanDerWaalsContact O-N 3.12Å; F416-L418 VanDerWaalsContact C-N 3.33Å; F416-L418 PolarHBondContact O-N 3.22Å; L418-L448 HydrophobicContact CD1-CD2 4.09Å; L418-L448 HydrophobicContact CD2-CD1 4.38Å; L418-L448 HydrophobicContact CD2-CD2 3.86Å; L418-L448 HydrophobicContact CD2-CG 4.18Å; L418-L448 HydrophobicContact CG-CD2 3.85Å; L418-M452 HydrophobicContact CD2-CE 4.48Å; L418-M452 HydrophobicContact CD2-CG 4.12Å; L418-M452 HydrophobicContact CD2-SD 4.38Å; L418-L456 HydrophobicContact CD2-CD1 4.19Å; L418-L456 HydrophobicContact CD2-CD2 4.49Å; L418-Q497 PolarHBondContact O-NE2 3.36Å
419I92.5Very high93.5Very high20 Ų2022 Ų2210%0.10312%0.12CC..Hα-helixtrans-75.4-39.8179.6-65.1155.4000111.8I235 L377 V378 I415 F416 E421 L500I235-I419 HydrophobicContact CD1-CG1 4.43Å; L377-I419 HydrophobicContact CB-CD1 3.66Å; L377-I419 VanDerWaalsContact O-CD1 3.25Å; L377-I419 WeakPolarHBondContact O-CD1 3.43Å; V378-I419 HydrophobicContact CG2-CD1 4.11Å; I415-I419 HydrophobicContact CG2-CD1 3.46Å; I415-I419 VanDerWaalsContact CG2-CD1 3.46Å; I415-I419 HydrophobicContact CG2-CG1 4.46Å; I415-I419 WeakPolarHBondContact O-CD1 3.45Å; I415-I419 WeakPolarHBondContact O-CG1 3.31Å; I415-I419 PolarHBondContact O-N 3.4Å; F416-I419 PolarHBondContact O-N 3.16Å; I419-E421 PolarHBondContact O-N 2.95Å; I419-L500 HydrophobicContact CG1-CD2 4.13Å
420K89.6Confident93.4Very high89 Ų8928.1 Ų28.139%0.38715%0.147SC..THydrogen-bonded Turntrans-75.8-2.8-179.7-73.7-61.7-173.7-177.30114.4F416 G422 F423F416-K420 HydrophobicContact CD1-CG 4.15Å; F416-K420 HydrophobicContact CD2-CG 4.17Å; F416-K420 HydrophobicContact CE1-CG 3.72Å; F416-K420 HydrophobicContact CE2-CD 4.28Å; F416-K420 HydrophobicContact CE2-CG 3.76Å; F416-K420 HydrophobicContact CG-CG 4.36Å; F416-K420 HydrophobicContact CZ-CD 4.15Å; F416-K420 HydrophobicContact CZ-CG 3.53Å; F416-K420 WeakPolarHBondContact O-CB 3.5Å; F416-K420 PolarHBondContact O-N 3.23Å; K420-G422 PolarHBondContact O-N 2.87Å; K420-F423 HydrophobicContact CB-CD1 4.2Å
421E84.6Confident93.3Very high43 Ų4328.2 Ų28.220%0.20115%0.148CC..THydrogen-bonded Turntrans60.732.5-176.6-46.2-168.3-171.600112.8T417 I419 V489 S493 Q497 K503T417-E421 PolarHBondContact O-N 3.14Å; I419-E421 PolarHBondContact O-N 2.95Å; E421-V489 HydrophobicContact CB-CG1 3.76Å; E421-V489 WeakPolarHBondContact O-CB 3.36Å; E421-S493 WeakPolarHBondContact OE2-CB 3.44Å; E421-S493 PolarHBondContact OE2-OG 3.31Å; E421-Q497 VanDerWaalsContact CD-OE1 3.3Å; E421-Q497 VanDerWaalsContact CG-OE1 3.3Å; E421-K503 WeakPolarHBondContact OE1-CE 3.43Å; E421-K503 IonicContact OE1-NZ 2.57Å; E421-K503 PolarHBondContact OE1-NZ 2.88Å; E421-K503 IonicContact OE2-NZ 3.9Å
422G83Confident93.2Very high16 Ų1628.1 Ų28.117%0.16515%0.147CC..  trans82.6163.6-179.500000115.5T417 K420 L456T417-G422 PolarHBondContact O-N 3.01Å; K420-G422 PolarHBondContact O-N 2.87Å; G422-L456 CarbonylContact C-O 3.55Å; G422-L456 WeakPolarHBondContact CA-O 3.4Å
423F91.5Very high93.1Very high21 Ų2132.1 Ų32.19%0.09217%0.168CC..EExtended strand (participates in β ladder)trans-160.1175.5-179.246.6-98.9000111.5F416 T417 K420 H427 L428 L431 L456 I457 Q458F416-F423 AromaticContact CD1-CE1 3.88Å; F416-F423 HydrophobicContact CD1-CE1 3.88Å; F416-F423 HydrophobicContact CD1-CZ 4.37Å; F416-F423 AromaticContact CE1-CE1 3.99Å; F416-F423 HydrophobicContact CE1-CE1 3.99Å; T417-F423 HydrophobicContact CG2-CE1 4.29Å; K420-F423 HydrophobicContact CB-CD1 4.2Å; F423-H427 HydrophobicContact CD2-CB 3.91Å; F423-H427 AromaticContact CD2-ND1 3.85Å; F423-H427 AromaticContact CG-ND1 3.86Å; F423-L428 HydrophobicContact CD2-CB 4.42Å; F423-L428 HydrophobicContact CE2-CB 3.75Å; F423-L428 HydrophobicContact CE2-CD1 4.12Å; F423-L428 HydrophobicContact CZ-CD1 4.36Å; F423-L431 HydrophobicContact CE1-CD1 4.27Å; F423-L431 HydrophobicContact CE2-CD1 3.8Å; F423-L431 HydrophobicContact CZ-CD1 3.57Å; F423-L456 PolarHBondContact N-O 3.09Å; F423-I457 HydrophobicContact CD2-CD1 4.11Å; F423-I457 HydrophobicContact CE2-CD1 3.86Å; F423-I457 HydrophobicContact CZ-CD1 4.2Å; F423-I457 WeakPolarHBondContact O-CA 3.26Å; F423-Q458 PolarHBondContact O-N 3.16Å
424A93.3Very high93Very high42 Ų4234.9 Ų34.935%0.34719%0.187SC..EExtended strand (participates in β ladder)trans-66.7147.4-178.600000113T426 H427 L428A424-T426 PolarHBondContact O-N 2.92Å; A424-H427 WeakPolarHBondContact O-CA 3.33Å; A424-H427 WeakPolarHBondContact O-CB 3.4Å; A424-H427 PolarHBondContact O-N 3.21Å; A424-L428 PolarHBondContact O-N 2.97Å
425E93.1Very high92.8Very high17 Ų1734.8 Ų34.88%0.07919%0.187CC..Hα-helixtrans-57.1-36.8179-173.2178.2178.900112.6H427 L428 D429 K442 I457 Q458 S459 Q476 L477E425-H427 PolarHBondContact O-N 2.93Å; E425-L428 WeakPolarHBondContact O-CB 3.44Å; E425-L428 PolarHBondContact O-N 3.47Å; E425-L428 VanDerWaalsContact O-N 3.13Å; E425-D429 PolarHBondContact O-N 3.22Å; E425-K442 HydrophobicContact CG-CD 4.3Å; E425-K442 VanDerWaalsContact CG-NZ 3.28Å; E425-K442 WeakPolarHBondContact OE1-CD 3.39Å; E425-K442 WeakPolarHBondContact OE1-CE 3.31Å; E425-K442 IonicContact OE1-NZ 3.85Å; E425-K442 PolarHBondContact OE1-NZ 2.64Å; E425-I457 HydrophobicContact CB-CG2 3.82Å; E425-I457 HydrophobicContact CG-CG2 4.29Å; E425-Q458 PolarHBondContact N-O 2.94Å; E425-S459 WeakPolarHBondContact OE2-CB 3.38Å; E425-Q476 WeakPolarHBondContact OE1-CA 3.33Å; E425-L477 PolarHBondContact OE1-N 2.86Å; E425-L477 VanDerWaalsContact OE1-N 3.08Å
426T91.7Very high92.7Very high97 Ų9741.4 Ų41.460%0.59522%0.218SC*.Hα-helixtrans-65.2-28.2176.5560000113.1A424 K430A424-T426 PolarHBondContact O-N 2.92Å; T426-K430 WeakPolarHBondContact O-CG 3.49Å; T426-K430 PolarHBondContact O-N 3.35Å
427H93.4Very high92.6Very high66 Ų6641.5 Ų41.531%0.30622%0.218SC..Hα-helixtrans-76-37.3173.7-172.5-161.8000110.7F423 A424 E425 D429 K430 L431F423-H427 HydrophobicContact CD2-CB 3.91Å; F423-H427 AromaticContact CD2-ND1 3.85Å; F423-H427 AromaticContact CG-ND1 3.86Å; A424-H427 WeakPolarHBondContact O-CA 3.33Å; A424-H427 WeakPolarHBondContact O-CB 3.4Å; A424-H427 PolarHBondContact O-N 3.21Å; E425-H427 PolarHBondContact O-N 2.93Å; H427-D429 VanDerWaalsContact C-N 3.34Å; H427-D429 PolarHBondContact O-N 3.34Å; H427-K430 PolarHBondContact O-N 2.9Å; H427-L431 WeakPolarHBondContact O-CG 3.38Å; H427-L431 PolarHBondContact O-N 2.81Å
428L94.8Very high92.5Very high0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-59.5-44.4172.2-177.957.6000111.9F423 A424 E425 K430 L431 L432 K442 F445 I457F423-L428 HydrophobicContact CD2-CB 4.42Å; F423-L428 HydrophobicContact CE2-CB 3.75Å; F423-L428 HydrophobicContact CE2-CD1 4.12Å; F423-L428 HydrophobicContact CZ-CD1 4.36Å; A424-L428 PolarHBondContact O-N 2.97Å; E425-L428 WeakPolarHBondContact O-CB 3.44Å; E425-L428 PolarHBondContact O-N 3.47Å; E425-L428 VanDerWaalsContact O-N 3.13Å; L428-K430 VanDerWaalsContact C-N 3.29Å; L428-K430 PolarHBondContact O-N 2.94Å; L428-L431 PolarHBondContact O-N 3.06Å; L428-L431 VanDerWaalsContact O-N 3.16Å; L428-L432 HydrophobicContact CD1-CD1 4.22Å; L428-L432 HydrophobicContact CD1-CG 4.1Å; L428-L432 HydrophobicContact CG-CD1 3.91Å; L428-L432 HydrophobicContact CG-CG 4.29Å; L428-L432 WeakPolarHBondContact O-CG 3.4Å; L428-L432 PolarHBondContact O-N 2.92Å; L428-K442 HydrophobicContact CD2-CG 3.92Å; L428-F445 HydrophobicContact CD1-CD1 3.97Å; L428-F445 HydrophobicContact CD1-CD2 4.22Å; L428-F445 HydrophobicContact CD1-CE1 3.69Å; L428-F445 HydrophobicContact CD1-CE2 3.96Å; L428-F445 HydrophobicContact CD1-CG 4.23Å; L428-F445 HydrophobicContact CD1-CZ 3.69Å; L428-F445 HydrophobicContact CD2-CB 4.07Å; L428-F445 HydrophobicContact CD2-CD1 4.21Å; L428-F445 HydrophobicContact CD2-CD2 3.85Å; L428-F445 HydrophobicContact CD2-CE2 4.36Å; L428-F445 HydrophobicContact CD2-CG 3.77Å; L428-I457 HydrophobicContact CB-CD1 4.44Å; L428-I457 HydrophobicContact CD2-CD1 3.98Å; L428-I457 HydrophobicContact CD2-CG1 3.95Å; L428-I457 HydrophobicContact CD2-CG2 4.2Å
429D94Very high92.4Very high25 Ų2549.4 Ų49.413%0.13426%0.259CS..Hα-helixtrans-56-44.9176.8-77.3-46.3000111.8E425 H427 L431 L432 D433 R439 K442E425-D429 PolarHBondContact O-N 3.22Å; H427-D429 VanDerWaalsContact C-N 3.34Å; H427-D429 PolarHBondContact O-N 3.34Å; D429-L431 PolarHBondContact O-N 3.25Å; D429-L432 PolarHBondContact O-N 3.35Å; D429-D433 WeakPolarHBondContact O-CB 3.1Å; D429-D433 PolarHBondContact O-N 3.29Å; D429-R439 IonicContact OD1-CZ 3.58Å; D429-R439 IonicContact OD1-NE 2.81Å; D429-R439 IonicContact OD1-NH1 3.72Å; D429-K442 WeakPolarHBondContact OD1-CE 3.31Å; D429-K442 IonicContact OD1-NZ 3.72Å; D429-K442 PolarHBondContact OD1-NZ 2.66Å; D429-K442 IonicContact OD2-NZ 2.71Å; D429-K442 PolarHBondContact OD2-NZ 3.35Å
430K94.2Very high92.3Very high143 Ų14351 Ų5162%0.62227%0.272SS*.Hα-helixtrans-64.9-39.7177.7-67.5174.6-175.5179.60112.6T426 H427 L428 C434T426-K430 WeakPolarHBondContact O-CG 3.49Å; T426-K430 PolarHBondContact O-N 3.35Å; H427-K430 PolarHBondContact O-N 2.9Å; L428-K430 VanDerWaalsContact C-N 3.29Å; L428-K430 PolarHBondContact O-N 2.94Å; K430-C434 VanDerWaalsContact O-CB 3.23Å; K430-C434 WeakPolarHBondContact O-CB 3.04Å; K430-C434 PolarHBondContact O-N 3.12Å
431L94.5Very high92.4Very high6 Ų649.7 Ų49.73%0.03127%0.267CS..Hα-helixtrans-67.4-41.1177.9-73.1172.3000111.7L395 L413 F416 F423 H427 L428 D429 C434 A435L395-L431 HydrophobicContact CD2-CD2 4.47Å; L413-L431 HydrophobicContact CD2-CB 3.9Å; F416-L431 HydrophobicContact CD1-CD1 4.13Å; F416-L431 HydrophobicContact CE1-CD1 3.9Å; F423-L431 HydrophobicContact CE1-CD1 4.27Å; F423-L431 HydrophobicContact CE2-CD1 3.8Å; F423-L431 HydrophobicContact CZ-CD1 3.57Å; H427-L431 WeakPolarHBondContact O-CG 3.38Å; H427-L431 PolarHBondContact O-N 2.81Å; L428-L431 PolarHBondContact O-N 3.06Å; L428-L431 VanDerWaalsContact O-N 3.16Å; D429-L431 PolarHBondContact O-N 3.25Å; L431-C434 PolarHBondContact O-N 3.14Å; L431-A435 VanDerWaalsContact O-CB 3.28Å; L431-A435 WeakPolarHBondContact O-CB 2.8Å; L431-A435 PolarHBondContact O-N 2.96Å
432L95.2Very high92.8Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-61.9-47.8174.3-72.4169.3000111.1L413 L428 D429 C434 A435 Q436 V437 K442 F445L413-L432 HydrophobicContact CD1-CD2 3.82Å; L428-L432 HydrophobicContact CD1-CD1 4.22Å; L428-L432 HydrophobicContact CD1-CG 4.1Å; L428-L432 HydrophobicContact CG-CD1 3.91Å; L428-L432 HydrophobicContact CG-CG 4.29Å; L428-L432 WeakPolarHBondContact O-CG 3.4Å; L428-L432 PolarHBondContact O-N 2.92Å; D429-L432 PolarHBondContact O-N 3.35Å; L432-C434 VanDerWaalsContact C-N 3.33Å; L432-C434 PolarHBondContact O-N 3.38Å; L432-A435 CarbonylContact O-C 3.6Å; L432-A435 PolarHBondContact O-N 3.08Å; L432-Q436 PolarHBondContact O-N 3.15Å; L432-V437 HydrophobicContact CD2-CB 3.86Å; L432-V437 HydrophobicContact CD2-CG1 3.69Å; L432-V437 PolarHBondContact O-N 2.86Å; L432-K442 HydrophobicContact CD1-CB 4.28Å; L432-F445 HydrophobicContact CD2-CE2 4.22Å; L432-F445 HydrophobicContact CD2-CZ 4.49Å
433D93.8Very high93.3Very high83 Ų8347.8 Ų47.844%0.44425%0.254SS..Hα-helixtrans-60.9-43.4177.2-64.6-16.8000110.9D429 A435 Q436 R439D429-D433 WeakPolarHBondContact O-CB 3.1Å; D429-D433 PolarHBondContact O-N 3.29Å; D433-A435 PolarHBondContact O-N 3Å; D433-Q436 PolarHBondContact O-N 3.47Å; D433-Q436 VanDerWaalsContact O-N 3.09Å; D433-R439 IonicContact OD1-CZ 2.68Å; D433-R439 IonicContact OD1-NE 3.32Å; D433-R439 PolarHBondContact OD1-NE 2.86Å; D433-R439 IonicContact OD1-NH2 3.11Å; D433-R439 PolarHBondContact OD1-NH2 3Å; D433-R439 IonicContact OD2-CZ 3.97Å; D433-R439 IonicContact OD2-NE 3.71Å; D433-R439 IonicContact OD2-NH2 2.79Å; D433-R439 PolarHBondContact OD2-NH2 3.32Å
434C93.9Very high93.5Very high59 Ų5947.1 Ų47.140%0.39925%0.251SS..Hα-helixtrans-64.6-37.9177.8-172.70000112.8K430 L431 L432 Q436K430-C434 VanDerWaalsContact O-CB 3.23Å; K430-C434 WeakPolarHBondContact O-CB 3.04Å; K430-C434 PolarHBondContact O-N 3.12Å; L431-C434 PolarHBondContact O-N 3.14Å; L432-C434 VanDerWaalsContact C-N 3.33Å; L432-C434 PolarHBondContact O-N 3.38Å; C434-Q436 PolarHBondContact O-N 3.14Å
435A94.5Very high93.6Very high0 Ų045.1 Ų45.10%024%0.235CC..THydrogen-bonded Turntrans-79.3-3.5175.900000112.6F399 R409 L413 L431 L432 D433 V437F399-A435 HydrophobicContact CD1-CB 4.34Å; F399-A435 HydrophobicContact CD2-CB 3.7Å; F399-A435 HydrophobicContact CE1-CB 4.31Å; F399-A435 HydrophobicContact CE2-CB 3.65Å; F399-A435 HydrophobicContact CG-CB 4.05Å; F399-A435 HydrophobicContact CZ-CB 3.97Å; R409-A435 HydrophobicContact CB-CB 4.43Å; R409-A435 WeakPolarHBondContact CD-O 3.4Å; R409-A435 PolarHBondContact NH1-O 3.38Å; L413-A435 HydrophobicContact CD1-CB 3.93Å; L413-A435 HydrophobicContact CG-CB 4.49Å; L431-A435 VanDerWaalsContact O-CB 3.28Å; L431-A435 WeakPolarHBondContact O-CB 2.8Å; L431-A435 PolarHBondContact O-N 2.96Å; L432-A435 CarbonylContact O-C 3.6Å; L432-A435 PolarHBondContact O-N 3.08Å; D433-A435 PolarHBondContact O-N 3Å; A435-V437 HydrophobicContact CB-CB 4.46Å; A435-V437 HydrophobicContact CB-CG2 3.81Å; A435-V437 PolarHBondContact O-N 3.46Å
436Q93.7Very high93.7Very high138 Ų13844.3 Ų44.365%0.64523%0.231SC*.THydrogen-bonded Turntrans53.536-170.8-47.9169.5-2100112.2L432 D433 C434L432-Q436 PolarHBondContact O-N 3.15Å; D433-Q436 PolarHBondContact O-N 3.47Å; D433-Q436 VanDerWaalsContact O-N 3.09Å; C434-Q436 PolarHBondContact O-N 3.14Å
437V94.6Very high93.9Very high5 Ų539.7 Ų39.73%0.0320%0.203CC..  trans-98.2129.3175177.10000108.2V406 R409 L413 L432 A435 F441V406-V437 HydrophobicContact CG1-CG1 4.38Å; V406-V437 HydrophobicContact CG1-CG2 4.42Å; R409-V437 HydrophobicContact CB-CG2 3.82Å; L413-V437 HydrophobicContact CD1-CG2 4.29Å; L432-V437 HydrophobicContact CD2-CB 3.86Å; L432-V437 HydrophobicContact CD2-CG1 3.69Å; L432-V437 PolarHBondContact O-N 2.86Å; A435-V437 HydrophobicContact CB-CB 4.46Å; A435-V437 HydrophobicContact CB-CG2 3.81Å; A435-V437 PolarHBondContact O-N 3.46Å; V437-F441 HydrophobicContact CG1-CB 4.13Å; V437-F441 HydrophobicContact CG1-CD2 3.6Å; V437-F441 HydrophobicContact CG1-CE2 4.36Å; V437-F441 HydrophobicContact CG1-CG 4.13Å
438A93.4Very high94.1Very high52 Ų5236.5 Ų36.543%0.4319%0.188SC..  trans-60.9141.3-177.800000112S440 F441A438-S440 WeakPolarHBondContact CB-OG 3.19Å; A438-S440 PolarHBondContact O-N 3.48Å; A438-F441 HydrophobicContact CB-CD2 4.19Å; A438-F441 HydrophobicContact CB-CE2 4.35Å; A438-F441 WeakPolarHBondContact O-CD2 3.26Å; A438-F441 PolarHBondContact O-N 3.36Å
439R90.6Very high94.1Very high115 Ų11536.5 Ų36.543%0.43419%0.188SC..G310 helixtrans-64.6-12178-61.8-173.2-174.7-172.52.9114D429 D433 F441 K442D429-R439 IonicContact OD1-CZ 3.58Å; D429-R439 IonicContact OD1-NE 2.81Å; D429-R439 IonicContact OD1-NH1 3.72Å; D433-R439 IonicContact OD1-CZ 2.68Å; D433-R439 IonicContact OD1-NE 3.32Å; D433-R439 PolarHBondContact OD1-NE 2.86Å; D433-R439 IonicContact OD1-NH2 3.11Å; D433-R439 PolarHBondContact OD1-NH2 3Å; D433-R439 IonicContact OD2-CZ 3.97Å; D433-R439 IonicContact OD2-NE 3.71Å; D433-R439 IonicContact OD2-NH2 2.79Å; D433-R439 PolarHBondContact OD2-NH2 3.32Å; R439-F441 PolarHBondContact O-N 3.21Å; R439-K442 WeakPolarHBondContact O-CB 3.36Å; R439-K442 PolarHBondContact O-N 2.81Å
440S90.2Very high94.2Very high54 Ų5435.6 Ų35.638%0.37818%0.183SC..G310 helixtrans-61.3-18.8169.554.40000113.4A438 P443A438-S440 WeakPolarHBondContact CB-OG 3.19Å; A438-S440 PolarHBondContact O-N 3.48Å; S440-P443 VanDerWaalsContact O-CD 3.25Å; S440-P443 WeakPolarHBondContact O-CD 3.44Å
441F93.4Very high94.3Very high62 Ų6229 Ų2927%0.27216%0.155SC..G310 helixtrans-83.9-8.4174.2-68.6-74000113.8V406 L410 V437 A438 R439 P443 L444V406-F441 HydrophobicContact CG1-CE2 3.94Å; V406-F441 HydrophobicContact CG1-CZ 4.31Å; L410-F441 HydrophobicContact CD1-CB 4.21Å; L410-F441 HydrophobicContact CD2-CD1 3.81Å; L410-F441 HydrophobicContact CD2-CE1 4.25Å; L410-F441 HydrophobicContact CD2-CG 4.27Å; V437-F441 HydrophobicContact CG1-CB 4.13Å; V437-F441 HydrophobicContact CG1-CD2 3.6Å; V437-F441 HydrophobicContact CG1-CE2 4.36Å; V437-F441 HydrophobicContact CG1-CG 4.13Å; A438-F441 HydrophobicContact CB-CD2 4.19Å; A438-F441 HydrophobicContact CB-CE2 4.35Å; A438-F441 WeakPolarHBondContact O-CD2 3.26Å; A438-F441 PolarHBondContact O-N 3.36Å; R439-F441 PolarHBondContact O-N 3.21Å; F441-P443 VanDerWaalsContact C-N 3.31Å; F441-L444 HydrophobicContact CD1-CD2 3.98Å; F441-L444 WeakPolarHBondContact O-CB 3.46Å; F441-L444 PolarHBondContact O-N 3.02Å
442K92.5Very high94.3Very high10 Ų1028.8 Ų28.84%0.04315%0.153CC..Hα-helixtrans-52.8-38.7179-174.7-178.3-102.8-174.20114E425 L428 D429 L432 R439 L444 F445 Y475 L477E425-K442 HydrophobicContact CG-CD 4.3Å; E425-K442 VanDerWaalsContact CG-NZ 3.28Å; E425-K442 WeakPolarHBondContact OE1-CD 3.39Å; E425-K442 WeakPolarHBondContact OE1-CE 3.31Å; E425-K442 IonicContact OE1-NZ 3.85Å; E425-K442 PolarHBondContact OE1-NZ 2.64Å; L428-K442 HydrophobicContact CD2-CG 3.92Å; D429-K442 WeakPolarHBondContact OD1-CE 3.31Å; D429-K442 IonicContact OD1-NZ 3.72Å; D429-K442 PolarHBondContact OD1-NZ 2.66Å; D429-K442 IonicContact OD2-NZ 2.71Å; D429-K442 PolarHBondContact OD2-NZ 3.35Å; L432-K442 HydrophobicContact CD1-CB 4.28Å; R439-K442 WeakPolarHBondContact O-CB 3.36Å; R439-K442 PolarHBondContact O-N 2.81Å; K442-L444 PolarHBondContact O-N 3.27Å; K442-L444 VanDerWaalsContact O-N 3.16Å; K442-F445 WeakPolarHBondContact O-CD2 3.4Å; K442-F445 PolarHBondContact O-N 2.89Å; K442-F445 VanDerWaalsContact O-N 3.16Å; K442-Y475 WeakPolarHBondContact CD-O 3.44Å; K442-L477 HydrophobicContact CD-CD2 4.38Å; K442-L477 HydrophobicContact CD-CG 4.11Å; K442-L477 HydrophobicContact CG-CD1 4.28Å; K442-L477 HydrophobicContact CG-CD2 3.99Å; K442-L477 HydrophobicContact CG-CG 4.05Å
443P93.5Very high94.2Very high9 Ų933.8 Ų33.86%0.05818%0.18CC..Hα-helixtrans-57.3-25.3175.3-29.539.6000115.3S440 F441 F445 A446 S447 Y475 A694 M698S440-P443 VanDerWaalsContact O-CD 3.25Å; S440-P443 WeakPolarHBondContact O-CD 3.44Å; F441-P443 VanDerWaalsContact C-N 3.31Å; P443-F445 PolarHBondContact O-N 3.21Å; P443-A446 WeakPolarHBondContact O-CA 3.49Å; P443-A446 WeakPolarHBondContact O-CB 3.48Å; P443-A446 PolarHBondContact O-N 3.42Å; P443-S447 PolarHBondContact O-N 3.47Å; P443-S447 PolarHBondContact O-OG 3.35Å; P443-Y475 HydrophobicContact CG-CD1 4Å; P443-A694 HydrophobicContact CB-CB 3.59Å; P443-M698 HydrophobicContact CB-SD 4.38Å; P443-M698 HydrophobicContact CG-SD 4.41Å
444L95.9Very high94.2Very high6 Ų629.8 Ų29.83%0.03116%0.159CC..Hα-helixtrans-65.7-29.8179.1-79.156.4000111.9L410 F441 K442 A446 S447 L448 L690 E691 A694L410-L444 HydrophobicContact CD2-CD2 3.72Å; F441-L444 HydrophobicContact CD1-CD2 3.98Å; F441-L444 WeakPolarHBondContact O-CB 3.46Å; F441-L444 PolarHBondContact O-N 3.02Å; K442-L444 PolarHBondContact O-N 3.27Å; K442-L444 VanDerWaalsContact O-N 3.16Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-S447 WeakPolarHBondContact O-CB 3.45Å; L444-S447 PolarHBondContact O-N 3.46Å; L444-L448 PolarHBondContact O-N 2.91Å; L444-L690 HydrophobicContact CB-CB 4.15Å; L444-L690 HydrophobicContact CD2-CB 4.48Å; L444-L690 HydrophobicContact CG-CB 3.89Å; L444-E691 HydrophobicContact CD1-CB 4.47Å; L444-A694 HydrophobicContact CD1-CB 4.16Å
445F95.9Very high94.2Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-71.6-30.2174.4-61.2-98.4000111.7L410 L413 L414 T417 L428 L432 K442 P443 S449 I457L410-F445 HydrophobicContact CD1-CE2 3.99Å; L410-F445 HydrophobicContact CD1-CZ 4.06Å; L413-F445 HydrophobicContact CB-CE1 4.18Å; L413-F445 HydrophobicContact CB-CZ 3.89Å; L414-F445 HydrophobicContact CD2-CD1 3.8Å; L414-F445 HydrophobicContact CD2-CD2 4.48Å; L414-F445 HydrophobicContact CD2-CE1 3.75Å; L414-F445 HydrophobicContact CD2-CE2 4.44Å; L414-F445 HydrophobicContact CD2-CG 4.17Å; L414-F445 HydrophobicContact CD2-CZ 4.08Å; L414-F445 HydrophobicContact CG-CE1 4.28Å; L414-F445 HydrophobicContact CG-CZ 4.42Å; T417-F445 HydrophobicContact CG2-CD1 4.27Å; T417-F445 WeakPolarHBondContact OG1-CE1 3.47Å; L428-F445 HydrophobicContact CD1-CD1 3.97Å; L428-F445 HydrophobicContact CD1-CD2 4.22Å; L428-F445 HydrophobicContact CD1-CE1 3.69Å; L428-F445 HydrophobicContact CD1-CE2 3.96Å; L428-F445 HydrophobicContact CD1-CG 4.23Å; L428-F445 HydrophobicContact CD1-CZ 3.69Å; L428-F445 HydrophobicContact CD2-CB 4.07Å; L428-F445 HydrophobicContact CD2-CD1 4.21Å; L428-F445 HydrophobicContact CD2-CD2 3.85Å; L428-F445 HydrophobicContact CD2-CE2 4.36Å; L428-F445 HydrophobicContact CD2-CG 3.77Å; L432-F445 HydrophobicContact CD2-CE2 4.22Å; L432-F445 HydrophobicContact CD2-CZ 4.49Å; K442-F445 WeakPolarHBondContact O-CD2 3.4Å; K442-F445 PolarHBondContact O-N 2.89Å; K442-F445 VanDerWaalsContact O-N 3.16Å; P443-F445 PolarHBondContact O-N 3.21Å; F445-S449 PolarHBondContact O-N 3.37Å; F445-S449 VanDerWaalsContact O-N 3.09Å; F445-S449 PolarHBondContact O-OG 3.43Å; F445-I457 HydrophobicContact CB-CG1 3.8Å
446A94.7Very high94.2Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-69.9-43.9169.600000110.8P443 L444 L448 S449 F450 L477 L483 I697P443-A446 WeakPolarHBondContact O-CA 3.49Å; P443-A446 WeakPolarHBondContact O-CB 3.48Å; P443-A446 PolarHBondContact O-N 3.42Å; L444-A446 VanDerWaalsContact C-N 3.33Å; A446-L448 VanDerWaalsContact C-N 3.27Å; A446-L448 PolarHBondContact O-N 2.89Å; A446-S449 WeakPolarHBondContact O-CA 3.33Å; A446-S449 VanDerWaalsContact O-CB 3.23Å; A446-S449 WeakPolarHBondContact O-CB 3.37Å; A446-S449 PolarHBondContact O-N 3.44Å; A446-F450 VanDerWaalsContact O-CD2 3.23Å; A446-F450 WeakPolarHBondContact O-CD2 3.26Å; A446-F450 PolarHBondContact O-N 2.99Å; A446-L477 HydrophobicContact CB-CD2 3.88Å; A446-L483 HydrophobicContact CB-CD1 4.18Å; A446-L483 HydrophobicContact CB-CD2 3.82Å; A446-I697 HydrophobicContact CB-CD1 3.76Å
447S96.3Very high94.2Very high0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-54.7-44172.3-57.30000112P443 L444 S449 F450 I451 L690 I693 A694P443-S447 PolarHBondContact O-N 3.47Å; P443-S447 PolarHBondContact O-OG 3.35Å; L444-S447 WeakPolarHBondContact O-CB 3.45Å; L444-S447 PolarHBondContact O-N 3.46Å; S447-S449 VanDerWaalsContact C-N 3.28Å; S447-S449 PolarHBondContact O-N 2.92Å; S447-F450 WeakPolarHBondContact O-CB 3.13Å; S447-F450 PolarHBondContact O-N 3.34Å; S447-F450 VanDerWaalsContact O-N 3.16Å; S447-I451 PolarHBondContact O-N 2.93Å; S447-L690 VanDerWaalsContact CB-O 3.29Å; S447-L690 WeakPolarHBondContact CB-O 3.35Å; S447-L690 PolarHBondContact OG-O 3.31Å; S447-I693 WeakPolarHBondContact OG-CG2 3.47Å; S447-A694 WeakPolarHBondContact OG-CA 3.27Å; S447-A694 WeakPolarHBondContact OG-CB 3.35Å; S447-A694 PolarHBondContact OG-N 2.9Å; S447-A694 VanDerWaalsContact OG-N 3.08Å
448L96.4Very high94Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-64.3-33.8176.3-17162.4000112.3P234 L414 L418 L444 A446 I451 M452 L456 F686 L690P234-L448 HydrophobicContact CB-CD1 4.03Å; L414-L448 HydrophobicContact CB-CD2 4.45Å; L414-L448 HydrophobicContact CD2-CD2 3.89Å; L418-L448 HydrophobicContact CD1-CD2 4.09Å; L418-L448 HydrophobicContact CD2-CD1 4.38Å; L418-L448 HydrophobicContact CD2-CD2 3.86Å; L418-L448 HydrophobicContact CD2-CG 4.18Å; L418-L448 HydrophobicContact CG-CD2 3.85Å; L444-L448 PolarHBondContact O-N 2.91Å; A446-L448 VanDerWaalsContact C-N 3.27Å; A446-L448 PolarHBondContact O-N 2.89Å; L448-I451 PolarHBondContact O-N 3.19Å; L448-M452 WeakPolarHBondContact O-CB 3.33Å; L448-M452 WeakPolarHBondContact O-CG 3.43Å; L448-M452 PolarHBondContact O-N 3.42Å; L448-L456 HydrophobicContact CB-CD1 3.98Å; L448-L456 HydrophobicContact CD2-CD1 3.72Å; L448-L456 HydrophobicContact CG-CD1 3.55Å; L448-F686 HydrophobicContact CD1-CZ 4.49Å; L448-L690 HydrophobicContact CB-CD2 4.31Å; L448-L690 HydrophobicContact CD1-CD2 4.47Å
449S95.8Very high93.6Very high0 Ų023.8 Ų23.80%012%0.117CC..Hα-helixtrans-64.1-39.6173.5-59.20000111.9F445 A446 S447 M452 N453 A454 L456 L486F445-S449 PolarHBondContact O-N 3.37Å; F445-S449 VanDerWaalsContact O-N 3.09Å; F445-S449 PolarHBondContact O-OG 3.43Å; A446-S449 WeakPolarHBondContact O-CA 3.33Å; A446-S449 VanDerWaalsContact O-CB 3.23Å; A446-S449 WeakPolarHBondContact O-CB 3.37Å; A446-S449 PolarHBondContact O-N 3.44Å; S447-S449 VanDerWaalsContact C-N 3.28Å; S447-S449 PolarHBondContact O-N 2.92Å; S449-M452 PolarHBondContact O-N 3.36Å; S449-N453 PolarHBondContact O-N 3.29Å; S449-A454 CarbonylContact C-O 3.21Å; S449-A454 WeakPolarHBondContact CA-O 3.45Å; S449-A454 WeakPolarHBondContact CB-O 3.15Å; S449-A454 PolarHBondContact O-N 3.45Å; S449-A454 VanDerWaalsContact O-O 3.12Å; S449-L456 WeakPolarHBondContact OG-CB 3.47Å; S449-L456 PolarHBondContact OG-N 3.27Å; S449-L456 VanDerWaalsContact OG-N 3.09Å; S449-L486 WeakPolarHBondContact O-CD1 3.47Å
450F95.7Very high92.9Very high5 Ų524.8 Ų24.82%0.02213%0.131CC..Hα-helixtrans-64.5-43.9173.3-77.6-78000112L153 P154 I157 A446 S447 M452 N453 L483 L486 I697L153-F450 HydrophobicContact CD2-CB 4.12Å; L153-F450 HydrophobicContact CD2-CD1 3.76Å; L153-F450 HydrophobicContact CD2-CD2 4.17Å; L153-F450 HydrophobicContact CD2-CE1 4.2Å; L153-F450 HydrophobicContact CD2-CG 3.75Å; P154-F450 HydrophobicContact CG-CE1 4.35Å; I157-F450 HydrophobicContact CD1-CE1 4.41Å; I157-F450 HydrophobicContact CD1-CZ 4.39Å; A446-F450 VanDerWaalsContact O-CD2 3.23Å; A446-F450 WeakPolarHBondContact O-CD2 3.26Å; A446-F450 PolarHBondContact O-N 2.99Å; S447-F450 WeakPolarHBondContact O-CB 3.13Å; S447-F450 PolarHBondContact O-N 3.34Å; S447-F450 VanDerWaalsContact O-N 3.16Å; F450-M452 VanDerWaalsContact C-N 3.29Å; F450-M452 PolarHBondContact O-N 2.86Å; F450-N453 PolarHBondContact O-N 3.49Å; F450-N453 VanDerWaalsContact O-N 3.12Å; F450-L483 HydrophobicContact CE2-CB 4.2Å; F450-L483 HydrophobicContact CE2-CD1 4.22Å; F450-L483 HydrophobicContact CZ-CB 4.2Å; F450-L486 HydrophobicContact CD1-CD1 4.22Å; F450-L486 HydrophobicContact CE1-CD1 4.47Å; F450-L486 HydrophobicContact CG-CD1 4.44Å; F450-I697 HydrophobicContact CD2-CD1 3.69Å; F450-I697 HydrophobicContact CD2-CG2 4.1Å; F450-I697 HydrophobicContact CE2-CB 4.05Å; F450-I697 HydrophobicContact CE2-CD1 3.54Å; F450-I697 HydrophobicContact CE2-CG1 4.37Å; F450-I697 HydrophobicContact CE2-CG2 3.71Å; F450-I697 HydrophobicContact CZ-CG2 4.08Å
451I96.1Very high91.9Very high6 Ų626.5 Ų26.53%0.03114%0.141CC..Hα-helixtrans-57.6-45.7174.3-67.2178.8000110.4F152 R230 S231 S447 L448 N453 F686 L690 I693F152-I451 HydrophobicContact CB-CG1 4.35Å; F152-I451 HydrophobicContact CD1-CB 4.3Å; F152-I451 HydrophobicContact CD1-CG1 4.22Å; F152-I451 HydrophobicContact CD1-CG2 4.3Å; F152-I451 HydrophobicContact CD2-CG1 3.92Å; F152-I451 HydrophobicContact CE1-CG2 4.13Å; F152-I451 HydrophobicContact CE2-CG1 4.27Å; F152-I451 HydrophobicContact CG-CB 4.42Å; F152-I451 HydrophobicContact CG-CG1 3.89Å; F152-I451 HydrophobicContact CZ-CG2 4.47Å; R230-I451 HydrophobicContact CB-CG2 4Å; S231-I451 WeakPolarHBondContact CB-O 3.17Å; S447-I451 PolarHBondContact O-N 2.93Å; L448-I451 PolarHBondContact O-N 3.19Å; I451-N453 PolarHBondContact O-N 2.82Å; I451-F686 HydrophobicContact CD1-CE2 4.21Å; I451-F686 HydrophobicContact CD1-CZ 4.3Å; I451-L690 HydrophobicContact CD1-CD2 3.55Å; I451-I693 HydrophobicContact CD1-CD1 4.15Å; I451-I693 HydrophobicContact CG1-CD1 4.1Å
452M94.1Very high90.7Very high0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-74.9-8.9-179.3-72.4-59.8-76.400114.5P234 L418 L448 S449 F450 A454 L456 I496 Q497 Y499P234-M452 HydrophobicContact CB-SD 4.26Å; P234-M452 HydrophobicContact CG-CE 4.36Å; P234-M452 HydrophobicContact CG-SD 3.56Å; P234-M452 VanDerWaalsContact CG-SD 3.56Å; L418-M452 HydrophobicContact CD2-CE 4.48Å; L418-M452 HydrophobicContact CD2-CG 4.12Å; L418-M452 HydrophobicContact CD2-SD 4.38Å; L448-M452 WeakPolarHBondContact O-CB 3.33Å; L448-M452 WeakPolarHBondContact O-CG 3.43Å; L448-M452 PolarHBondContact O-N 3.42Å; S449-M452 PolarHBondContact O-N 3.36Å; F450-M452 VanDerWaalsContact C-N 3.29Å; F450-M452 PolarHBondContact O-N 2.86Å; M452-A454 HydrophobicContact CB-CB 4.38Å; M452-A454 PolarHBondContact O-N 3.34Å; M452-L456 HydrophobicContact CG-CD1 4.32Å; M452-I496 HydrophobicContact CB-CD1 4.4Å; M452-I496 HydrophobicContact CE-CB 4.13Å; M452-I496 HydrophobicContact CE-CD1 3.78Å; M452-I496 HydrophobicContact CE-CG1 3.93Å; M452-I496 WeakPolarHBondContact O-CD1 3.49Å; M452-Q497 HydrophobicContact CE-CG 4.11Å; M452-Y499 HydrophobicContact CE-CE1 3.95Å
453N93.6Very high89Confident105 Ų10530.7 Ų30.756%0.56117%0.172SC*.THydrogen-bonded Turntrans49.438.4-168.8-167.131.4000112.4S449 F450 I451 L486S449-N453 PolarHBondContact O-N 3.29Å; F450-N453 PolarHBondContact O-N 3.49Å; F450-N453 VanDerWaalsContact O-N 3.12Å; I451-N453 PolarHBondContact O-N 2.82Å; N453-L486 WeakPolarHBondContact OD1-CD2 3.04Å
454A94.2Very high87.1Confident0 Ų037.7 Ų37.70%021%0.207CC..SBendtrans-155.4138.3-176.400000110.8S449 M452 L456 P487 V489 V492 I496S449-A454 CarbonylContact C-O 3.21Å; S449-A454 WeakPolarHBondContact CA-O 3.45Å; S449-A454 WeakPolarHBondContact CB-O 3.15Å; S449-A454 PolarHBondContact O-N 3.45Å; S449-A454 VanDerWaalsContact O-O 3.12Å; M452-A454 HydrophobicContact CB-CB 4.38Å; M452-A454 PolarHBondContact O-N 3.34Å; A454-L456 PolarHBondContact O-N 3.35Å; A454-P487 CarbonylContact C-O 3.58Å; A454-P487 WeakPolarHBondContact CA-O 3.37Å; A454-V489 HydrophobicContact CB-CG2 3.79Å; A454-V492 HydrophobicContact CB-CG2 3.58Å; A454-I496 HydrophobicContact CB-CD1 3.45Å; A454-I496 VanDerWaalsContact CB-CD1 3.45Å
455Q93.7Very high84.9Confident23 Ų2341.2 Ų41.211%0.10723%0.226CC..BIsolated β-bridgetrans-7498.6179.7-172.2-178.238.400110.7I457 L486 P487 V489Q455-I457 WeakPolarHBondContact CG-O 3.41Å; Q455-I457 PolarHBondContact NE2-O 2.87Å; Q455-L486 HydrophobicContact CB-CB 4.25Å; Q455-P487 PolarHBondContact N-O 3.03Å; Q455-V489 WeakPolarHBondContact O-CG2 3.38Å
456L94.1Very high82.7Confident0 Ų048.2 Ų48.20%026%0.263CS..SBendtrans-73.3-35.9176.6-64.8168.1000111.6T417 L418 G422 F423 L448 S449 M452 A454 V489T417-L456 HydrophobicContact CG2-CB 3.88Å; T417-L456 HydrophobicContact CG2-CD1 4.28Å; T417-L456 HydrophobicContact CG2-CG 4.48Å; L418-L456 HydrophobicContact CD2-CD1 4.19Å; L418-L456 HydrophobicContact CD2-CD2 4.49Å; G422-L456 CarbonylContact C-O 3.55Å; G422-L456 WeakPolarHBondContact CA-O 3.4Å; F423-L456 PolarHBondContact N-O 3.09Å; L448-L456 HydrophobicContact CB-CD1 3.98Å; L448-L456 HydrophobicContact CD2-CD1 3.72Å; L448-L456 HydrophobicContact CG-CD1 3.55Å; S449-L456 WeakPolarHBondContact OG-CB 3.47Å; S449-L456 PolarHBondContact OG-N 3.27Å; S449-L456 VanDerWaalsContact OG-N 3.09Å; M452-L456 HydrophobicContact CG-CD1 4.32Å; A454-L456 PolarHBondContact O-N 3.35Å; L456-V489 HydrophobicContact CD2-CG2 3.48Å; L456-V489 VanDerWaalsContact CD2-CG2 3.48Å; L456-V489 HydrophobicContact CG-CG2 4.17Å
457I93.8Very high80.6Confident0 Ų054.2 Ų54.20%030%0.301CS..EExtended strand (participates in β ladder)trans-112.2118179.9-52.2-62.2000109.6T417 F423 E425 L428 F445 Q455 L477T417-I457 HydrophobicContact CG2-CD1 3.9Å; F423-I457 HydrophobicContact CD2-CD1 4.11Å; F423-I457 HydrophobicContact CE2-CD1 3.86Å; F423-I457 HydrophobicContact CZ-CD1 4.2Å; F423-I457 WeakPolarHBondContact O-CA 3.26Å; E425-I457 HydrophobicContact CB-CG2 3.82Å; E425-I457 HydrophobicContact CG-CG2 4.29Å; L428-I457 HydrophobicContact CB-CD1 4.44Å; L428-I457 HydrophobicContact CD2-CD1 3.98Å; L428-I457 HydrophobicContact CD2-CG1 3.95Å; L428-I457 HydrophobicContact CD2-CG2 4.2Å; F445-I457 HydrophobicContact CB-CG1 3.8Å; Q455-I457 WeakPolarHBondContact CG-O 3.41Å; Q455-I457 PolarHBondContact NE2-O 2.87Å; I457-L477 HydrophobicContact CB-CD1 3.64Å; I457-L477 HydrophobicContact CG1-CD1 4.27Å; I457-L477 HydrophobicContact CG2-CD1 3.56Å
458Q90.3Very high78.6Confident93 Ų9361.1 Ų61.144%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-85.5115.1179.5-64.91760.900109.4F423 E425F423-Q458 PolarHBondContact O-N 3.16Å; E425-Q458 PolarHBondContact N-O 2.94Å
459S84.6Confident76.5Confident11 Ų1166.9 Ų66.98%0.07737%0.365CS..  trans-116.8136.2177.557.80000110.1E425 G478E425-S459 WeakPolarHBondContact OE2-CB 3.38Å; S459-G478 WeakPolarHBondContact OG-CA 3.31Å; S459-G478 PolarHBondContact OG-N 2.99Å
460D75.8Confident74.5Confident137 Ų13773.1 Ų73.173%0.73340%0.404SS*.  trans-65138169.6-67-43000109.7V462D460-V462 PolarHBondContact O-N 2.94Å
461P68.9Low72.5Confident90 Ų9080.4 Ų80.458%0.58444%0.443SS*.  trans-55.1133.8172.5-18.828.8000109.5T463 L484P461-T463 PolarHBondContact O-N 3.41Å; P461-L484 HydrophobicContact CB-CD1 4.32Å; P461-L484 HydrophobicContact CG-CD1 4.49Å
462V68.4Low70.7Confident42 Ų4281.8 Ų81.826%0.25545%0.452SS..  trans-67.9110.8175.8-171.40000108.2D460 I464 Q476 R479D460-V462 PolarHBondContact O-N 2.94Å; V462-I464 PolarHBondContact O-N 3.1Å; V462-I464 VanDerWaalsContact O-N 3.15Å; V462-Q476 HydrophobicContact CG2-CG 3.96Å; V462-R479 HydrophobicContact CG2-CG 3.73Å
463T56.4Low69.3Low118 Ų11885.7 Ų85.772%0.72448%0.477SS*.  trans-56.5120.8165.5-48.20000106.9P461 L465P461-T463 PolarHBondContact O-N 3.41Å; T463-L465 PolarHBondContact O-N 3.1Å
464I55.1Low68.2Low155 Ų15584.8 Ų84.880%0.79547%0.469SS*.  trans-53.8106.1177.5-60.2173.2000107.2V462V462-I464 PolarHBondContact O-N 3.1Å; V462-I464 VanDerWaalsContact O-N 3.15Å
465L49.8Very low67.4Low81 Ų8188.3 Ų88.342%0.42448%0.483SS..  trans-73.5140.7179-74.1165.2000108.5T463 Q469 V472T463-L465 PolarHBondContact O-N 3.1Å; L465-Q469 HydrophobicContact CB-CB 4.31Å; L465-Q469 HydrophobicContact CD1-CB 4.36Å; L465-V472 HydrophobicContact CD1-CG2 4.03Å
466L49.1Very low67Low147 Ų14789.3 Ų89.377%0.7749%0.488SS*.  trans-50.4149.8173.8-70.9161.2000110.4N468 Q469L466-N468 PolarHBondContact O-N 3.23Å; L466-Q469 PolarHBondContact O-N 2.96Å
467P50.2Low66.6Low125 Ų12589.3 Ų89.381%0.81249%0.488SS*.THydrogen-bonded Turntrans-59.12.3-166.918.3-30.6000117.5
468N54.6Low66.1Low146 Ų14689.6 Ų89.678%0.78149%0.491SS*.THydrogen-bonded Turntrans-114.86.6-175.9-67.6-4.1000115.1L466L466-N468 PolarHBondContact O-N 3.23Å
469Q52Low65.6Low121 Ų12190.2 Ų90.257%0.56549%0.489SS*.  trans-94.498169.7-71.3-161.5-12.300110.8L465 L466L465-Q469 HydrophobicContact CB-CB 4.31Å; L465-Q469 HydrophobicContact CD1-CB 4.36Å; L466-Q469 PolarHBondContact O-N 2.96Å
470T53.3Low65.6Low131 Ų13190.1 Ų90.180%0.80449%0.488SS*.  trans-81.7-12.2-177.350.70000114.2V472T470-V472 PolarHBondContact O-N 3.15Å
471N54.5Low66Low157 Ų15787.7 Ų87.784%0.8448%0.478SS*.  trans-98.352-177.3-77.6-17.7000112.8
472V57.6Low66.9Low36 Ų3684.2 Ų84.222%0.21846%0.456CS..  trans-82.8126.5171.4-166.50000109L465 T470 Q474L465-V472 HydrophobicContact CD1-CG2 4.03Å; T470-V472 PolarHBondContact O-N 3.15Å; V472-Q474 PolarHBondContact O-N 2.79Å; V472-Q474 VanDerWaalsContact O-N 3.17Å
473P66.1Low67.9Low81 Ų8182.2 Ų82.253%0.52644%0.444SS..  trans-54.9123.3179.2-24.233.1000111.1Y475 Q476P473-Y475 PolarHBondContact O-N 3.23Å; P473-Y475 VanDerWaalsContact O-N 3.12Å; P473-Q476 PolarHBondContact O-N 2.72Å
474Q70.3Confident69.5Low87 Ų8779.2 Ų79.241%0.40742%0.423SS..THydrogen-bonded Turntrans-57-31.9-174.3-173.4177.55.500112.8V472 V701V472-Q474 PolarHBondContact O-N 2.79Å; V472-Q474 VanDerWaalsContact O-N 3.17Å; Q474-V701 HydrophobicContact CG-CG2 4.29Å
475Y77.8Confident71.2Confident73 Ų7379.7 Ų79.729%0.28642%0.415SS..THydrogen-bonded Turntrans-108.628.3-171.5-52-70.7000113.9K442 P443 P473 L477K442-Y475 WeakPolarHBondContact CD-O 3.44Å; P443-Y475 HydrophobicContact CG-CD1 4Å; P473-Y475 PolarHBondContact O-N 3.23Å; P473-Y475 VanDerWaalsContact O-N 3.12Å; Y475-L477 PolarHBondContact O-N 2.77Å
476Q84Confident73.2Confident44 Ų4476.8 Ų76.821%0.20640%0.4CS..  trans-73120.4178-168.8172.15.900111.6E425 V462 P473 G478 R479 M698E425-Q476 WeakPolarHBondContact OE1-CA 3.33Å; V462-Q476 HydrophobicContact CG2-CG 3.96Å; P473-Q476 PolarHBondContact O-N 2.72Å; Q476-G478 VanDerWaalsContact C-N 3.26Å; Q476-G478 PolarHBondContact O-N 3.4Å; Q476-R479 PolarHBondContact O-N 2.89Å; Q476-M698 WeakPolarHBondContact O-CE 3.43Å
477L86Confident75.3Confident0 Ų071.7 Ų71.70%038%0.376CS..G310 helixtrans-67-28.3-174.8-63.7-172.9000113.1E425 K442 A446 I457 Y475 R479 C480 L483 M698E425-L477 PolarHBondContact OE1-N 2.86Å; E425-L477 VanDerWaalsContact OE1-N 3.08Å; K442-L477 HydrophobicContact CD-CD2 4.38Å; K442-L477 HydrophobicContact CD-CG 4.11Å; K442-L477 HydrophobicContact CG-CD1 4.28Å; K442-L477 HydrophobicContact CG-CD2 3.99Å; K442-L477 HydrophobicContact CG-CG 4.05Å; A446-L477 HydrophobicContact CB-CD2 3.88Å; I457-L477 HydrophobicContact CB-CD1 3.64Å; I457-L477 HydrophobicContact CG1-CD1 4.27Å; I457-L477 HydrophobicContact CG2-CD1 3.56Å; Y475-L477 PolarHBondContact O-N 2.77Å; L477-R479 PolarHBondContact O-N 2.72Å; L477-C480 PolarHBondContact O-N 3.43Å; L477-L483 HydrophobicContact CB-CD2 3.93Å; L477-L483 HydrophobicContact CD1-CD2 4.48Å; L477-M698 HydrophobicContact CD2-CE 4.19Å; L477-M698 HydrophobicContact CD2-SD 3.65Å
478G82.6Confident77.1Confident6 Ų667.2 Ų67.26%0.06235%0.346CS..G310 helixtrans-61.3-7.117700000115.1S459 Q476S459-G478 WeakPolarHBondContact OG-CA 3.31Å; S459-G478 PolarHBondContact OG-N 2.99Å; Q476-G478 VanDerWaalsContact C-N 3.26Å; Q476-G478 PolarHBondContact O-N 3.4Å
479R80.5Confident78.7Confident107 Ų10760.3 Ų60.340%0.40431%0.309SS..G310 helixtrans-80.5-23.1172.8-68-178.9162.2-161.5-12113.3V462 Q476 L477 V481V462-R479 HydrophobicContact CG2-CG 3.73Å; Q476-R479 PolarHBondContact O-N 2.89Å; L477-R479 PolarHBondContact O-N 2.72Å; R479-V481 PolarHBondContact O-N 3.17Å; R479-V481 VanDerWaalsContact O-N 3.16Å
480C85Confident80.3Confident9 Ų958.5 Ų58.56%0.06131%0.308CS..  trans-83.592.2-179.9-170.90000109.6L477 S482 L483 L484 M698L477-C480 PolarHBondContact O-N 3.43Å; C480-S482 PolarHBondContact O-N 3.19Å; C480-L483 HydrophobicContact CB-CB 3.76Å; C480-L483 HydrophobicContact CB-CD2 4.46Å; C480-L483 VanDerWaalsContact O-CB 3.31Å; C480-L483 WeakPolarHBondContact O-CB 3.2Å; C480-L483 PolarHBondContact O-N 2.88Å; C480-L484 PolarHBondContact O-N 2.85Å; C480-M698 HydrophobicContact CB-CG 4.2Å
481V84.7Confident81.9Confident86 Ų8662.1 Ų62.152%0.52131%0.307SS..Hα-helixtrans-56.3-39.5-177.6178.30000111.7R479 L483 L484 R485R479-V481 PolarHBondContact O-N 3.17Å; R479-V481 VanDerWaalsContact O-N 3.16Å; V481-L483 VanDerWaalsContact C-N 3.32Å; V481-L483 PolarHBondContact O-N 2.81Å; V481-L484 WeakPolarHBondContact O-CB 3.46Å; V481-L484 PolarHBondContact O-N 3.41Å; V481-R485 WeakPolarHBondContact O-CG 3.4Å; V481-R485 PolarHBondContact O-N 2.82Å
482S87.1Confident83.5Confident16 Ų1655.9 Ų55.911%0.11227%0.274CS..Hα-helixtrans-66.7-32.1178.6-54.30000112.7D156 C480 R485D156-S482 PolarHBondContact OD2-OG 2.7Å; C480-S482 PolarHBondContact O-N 3.19Å; S482-R485 PolarHBondContact O-N 3.19Å
483L89.8Confident84.7Confident0 Ų054.7 Ų54.70%027%0.268CS..Hα-helixtrans-64.1-41.7171.6179.870.1000111A446 F450 L477 C480 V481 R485 L486A446-L483 HydrophobicContact CB-CD1 4.18Å; A446-L483 HydrophobicContact CB-CD2 3.82Å; F450-L483 HydrophobicContact CE2-CB 4.2Å; F450-L483 HydrophobicContact CE2-CD1 4.22Å; F450-L483 HydrophobicContact CZ-CB 4.2Å; L477-L483 HydrophobicContact CB-CD2 3.93Å; L477-L483 HydrophobicContact CD1-CD2 4.48Å; C480-L483 HydrophobicContact CB-CB 3.76Å; C480-L483 HydrophobicContact CB-CD2 4.46Å; C480-L483 VanDerWaalsContact O-CB 3.31Å; C480-L483 WeakPolarHBondContact O-CB 3.2Å; C480-L483 PolarHBondContact O-N 2.88Å; V481-L483 VanDerWaalsContact C-N 3.32Å; V481-L483 PolarHBondContact O-N 2.81Å; L483-R485 PolarHBondContact O-N 2.8Å; L483-L486 HydrophobicContact CD1-CD1 4.12Å; L483-L486 WeakPolarHBondContact O-CB 3.34Å; L483-L486 PolarHBondContact O-N 3.1Å; L483-L486 VanDerWaalsContact O-N 3.11Å
484L89.1Confident85.3Confident56 Ų5658.2 Ų58.229%0.29328%0.277SS..Hα-helixtrans-66.5-17.1178.1-61.9-179.5000113.5P461 C480 V481P461-L484 HydrophobicContact CB-CD1 4.32Å; P461-L484 HydrophobicContact CG-CD1 4.49Å; C480-L484 PolarHBondContact O-N 2.85Å; V481-L484 WeakPolarHBondContact O-CB 3.46Å; V481-L484 PolarHBondContact O-N 3.41Å
485R90.4Very high85.7Confident164 Ų16459.2 Ų59.262%0.61929%0.285SS*.THydrogen-bonded Turntrans-83.1-16.4174.6-66177-169.9158.95113D156 V481 S482 L483D156-R485 IonicContact OD2-CZ 2.77Å; D156-R485 IonicContact OD2-NH1 3.16Å; D156-R485 PolarHBondContact OD2-NH1 3.09Å; V481-R485 WeakPolarHBondContact O-CG 3.4Å; V481-R485 PolarHBondContact O-N 2.82Å; S482-R485 PolarHBondContact O-N 3.19Å; L483-R485 PolarHBondContact O-N 2.8Å
486L92.7Very high86Confident20 Ų2057 Ų5711%0.10528%0.278CS..SBendtrans-68.2142.8176.4-63.6-178.1000110.1S449 F450 N453 Q455 L483S449-L486 WeakPolarHBondContact O-CD1 3.47Å; F450-L486 HydrophobicContact CD1-CD1 4.22Å; F450-L486 HydrophobicContact CE1-CD1 4.47Å; F450-L486 HydrophobicContact CG-CD1 4.44Å; N453-L486 WeakPolarHBondContact OD1-CD2 3.04Å; Q455-L486 HydrophobicContact CB-CB 4.25Å; L483-L486 HydrophobicContact CD1-CD1 4.12Å; L483-L486 WeakPolarHBondContact O-CB 3.34Å; L483-L486 PolarHBondContact O-N 3.1Å; L483-L486 VanDerWaalsContact O-N 3.11Å
487P92.2Very high86.2Confident41 Ų4155 Ų5527%0.26627%0.268SS..PPolyproline II helixtrans-66.3145.1176.828.5-34.3000110.5A454 Q455 V492A454-P487 CarbonylContact C-O 3.58Å; A454-P487 WeakPolarHBondContact CA-O 3.37Å; Q455-P487 PolarHBondContact N-O 3.03Å; P487-V492 HydrophobicContact CB-CG1 4.02Å; P487-V492 HydrophobicContact CG-CG1 3.76Å; P487-V492 HydrophobicContact CG-CG2 4.31Å
488P89.4Confident86.4Confident30 Ų3055.1 Ų55.120%0.19527%0.269CS..BIsolated β-bridgetrans-63.7140.8172.427.5-35.2000110.3P490 R491P488-P490 VanDerWaalsContact C-CD 3.46Å; P488-R491 HydrophobicContact CG-CB 4.46Å; P488-R491 HydrophobicContact CG-CG 3.92Å; P488-R491 WeakPolarHBondContact O-CB 3.19Å; P488-R491 PolarHBondContact O-N 2.92Å
489V88.2Confident86.8Confident1 Ų154.8 Ų54.81%0.00627%0.266CS..G310 helixtrans-51-43-173.9177.20000114.1E421 A454 Q455 L456 R491 V492 S493E421-V489 HydrophobicContact CB-CG1 3.76Å; E421-V489 WeakPolarHBondContact O-CB 3.36Å; A454-V489 HydrophobicContact CB-CG2 3.79Å; Q455-V489 WeakPolarHBondContact O-CG2 3.38Å; L456-V489 HydrophobicContact CD2-CG2 3.48Å; L456-V489 VanDerWaalsContact CD2-CG2 3.48Å; L456-V489 HydrophobicContact CG-CG2 4.17Å; V489-R491 PolarHBondContact O-N 3.4Å; V489-V492 CarbonylContact O-C 3.56Å; V489-V492 PolarHBondContact O-N 3.19Å; V489-S493 WeakPolarHBondContact O-CB 3.48Å; V489-S493 PolarHBondContact O-N 3.38Å
490P85.7Confident87.4Confident83 Ų8349.8 Ų49.854%0.53925%0.247SC..G310 helixtrans-56.6-21.8178.5-28.436.6000114.7P488P488-P490 VanDerWaalsContact C-CD 3.46Å
491R86.6Confident87.6Confident207 Ų20750.7 Ų50.778%0.78125%0.253SS*.G310 helixtrans-81.2-19.2176.6-68.7-174.5-178.3177.7-1.9113.9P488 V489P488-R491 HydrophobicContact CG-CB 4.46Å; P488-R491 HydrophobicContact CG-CG 3.92Å; P488-R491 WeakPolarHBondContact O-CB 3.19Å; P488-R491 PolarHBondContact O-N 2.92Å; V489-R491 PolarHBondContact O-N 3.4Å
492V88Confident87.8Confident26 Ų2650.7 Ų50.716%0.15825%0.249CC..THydrogen-bonded Turntrans-126.8-6-173.7-66.30000113.7A454 P487 V489 Q494 L495 I496A454-V492 HydrophobicContact CB-CG2 3.58Å; P487-V492 HydrophobicContact CB-CG1 4.02Å; P487-V492 HydrophobicContact CG-CG1 3.76Å; P487-V492 HydrophobicContact CG-CG2 4.31Å; V489-V492 CarbonylContact O-C 3.56Å; V489-V492 PolarHBondContact O-N 3.19Å; V492-Q494 PolarHBondContact O-N 3.17Å; V492-Q494 VanDerWaalsContact O-N 3.07Å; V492-L495 WeakPolarHBondContact O-CB 3.25Å; V492-L495 PolarHBondContact O-N 3.22Å; V492-I496 HydrophobicContact CB-CD1 4.42Å; V492-I496 HydrophobicContact CG2-CD1 3.65Å; V492-I496 HydrophobicContact CG2-CG1 4.3Å; V492-I496 PolarHBondContact O-N 2.87Å
493S81.7Confident87.9Confident11 Ų1153.2 Ų53.28%0.07726%0.258CS..Hα-helixtrans-53.8-34.8-174.3610000113.7E421 V489 L495 I496 Q497E421-S493 WeakPolarHBondContact OE2-CB 3.44Å; E421-S493 PolarHBondContact OE2-OG 3.31Å; V489-S493 WeakPolarHBondContact O-CB 3.48Å; V489-S493 PolarHBondContact O-N 3.38Å; S493-L495 PolarHBondContact O-N 3Å; S493-I496 PolarHBondContact O-N 3.1Å; S493-Q497 WeakPolarHBondContact O-CB 3.36Å; S493-Q497 PolarHBondContact O-N 3.5Å
494Q79.4Confident87.9Confident155 Ų15562.5 Ų62.572%0.72430%0.298SS*.Hα-helixtrans-63-23.8177.7-63.5-173.61.200114V492 K505V492-Q494 PolarHBondContact O-N 3.17Å; V492-Q494 VanDerWaalsContact O-N 3.07Å; Q494-K505 PolarHBondContact O-NZ 3.42Å
495L78.4Confident87.8Confident108 Ų10865.2 Ų65.257%0.56531%0.308SS*.Hα-helixtrans-96.7-35.5-178.6-63.5169.2000112.7V492 S493V492-L495 WeakPolarHBondContact O-CB 3.25Å; V492-L495 PolarHBondContact O-N 3.22Å; S493-L495 PolarHBondContact O-N 3Å
496I84.4Confident87.8Confident28 Ų2859.1 Ų59.114%0.14429%0.285CS..Hα-helixtrans-107.6-21.4-169.668173.4000114.6M452 A454 V492 S493 Y499M452-I496 HydrophobicContact CB-CD1 4.4Å; M452-I496 HydrophobicContact CE-CB 4.13Å; M452-I496 HydrophobicContact CE-CD1 3.78Å; M452-I496 HydrophobicContact CE-CG1 3.93Å; M452-I496 WeakPolarHBondContact O-CD1 3.49Å; A454-I496 HydrophobicContact CB-CD1 3.45Å; A454-I496 VanDerWaalsContact CB-CD1 3.45Å; V492-I496 HydrophobicContact CB-CD1 4.42Å; V492-I496 HydrophobicContact CG2-CD1 3.65Å; V492-I496 HydrophobicContact CG2-CG1 4.3Å; V492-I496 PolarHBondContact O-N 2.87Å; S493-I496 PolarHBondContact O-N 3.1Å; I496-Y499 WeakPolarHBondContact O-CD1 3.31Å; I496-Y499 WeakPolarHBondContact O-CE1 3.13Å
497Q88.4Confident87.7Confident0 Ų061.9 Ų61.90%030%0.299CS..  trans-105.626.4-177-76.4174.4-35.600113.6L418 E421 M452 S493 Y499 L500L418-Q497 PolarHBondContact O-NE2 3.36Å; E421-Q497 VanDerWaalsContact CD-OE1 3.3Å; E421-Q497 VanDerWaalsContact CG-OE1 3.3Å; M452-Q497 HydrophobicContact CE-CG 4.11Å; S493-Q497 WeakPolarHBondContact O-CB 3.36Å; S493-Q497 PolarHBondContact O-N 3.5Å; Q497-Y499 HydrophobicContact CB-CE1 4.41Å; Q497-Y499 HydrophobicContact CG-CE1 4.22Å; Q497-Y499 PolarHBondContact O-N 3.05Å; Q497-Y499 VanDerWaalsContact O-N 3.11Å; Q497-L500 HydrophobicContact CB-CD1 4.23Å; Q497-L500 HydrophobicContact CG-CD1 4.44Å; Q497-L500 PolarHBondContact O-N 3.41Å
498T89.4Confident87.5Confident3 Ų366.3 Ų66.32%0.01832%0.32CS..THydrogen-bonded Turntrans-64.8-15179.959.10000113.7L500 K505 Y523 R540T498-L500 VanDerWaalsContact C-N 3.31Å; T498-K505 HydrophobicContact CG2-CD 3.79Å; T498-Y523 WeakPolarHBondContact OG1-CE1 3.32Å; T498-Y523 PolarHBondContact OG1-OH 3.33Å; T498-R540 PolarHBondContact OG1-NH1 2.87Å; T498-R540 VanDerWaalsContact OG1-NH1 3.13Å; T498-R540 PolarHBondContact OG1-NH2 3.26Å
499Y92Very high87.5Confident0 Ų067.1 Ų67.10%032%0.32CS..THydrogen-bonded Turntrans-75.4-14177.861.7-100.8000113.8L232 P234 I235 M452 I496 Q497 P501 R506 W520L232-Y499 VanDerWaalsContact O-CD1 3.25Å; L232-Y499 WeakPolarHBondContact O-CD1 3.41Å; P234-Y499 VanDerWaalsContact CD-CE1 3.47Å; P234-Y499 HydrophobicContact CG-CE1 4.11Å; I235-Y499 HydrophobicContact CD1-CD2 3.98Å; I235-Y499 HydrophobicContact CD1-CE2 3.48Å; I235-Y499 VanDerWaalsContact CD1-CE2 3.48Å; I235-Y499 HydrophobicContact CG1-CD2 4.29Å; I235-Y499 HydrophobicContact CG1-CE2 3.74Å; M452-Y499 HydrophobicContact CE-CE1 3.95Å; I496-Y499 WeakPolarHBondContact O-CD1 3.31Å; I496-Y499 WeakPolarHBondContact O-CE1 3.13Å; Q497-Y499 HydrophobicContact CB-CE1 4.41Å; Q497-Y499 HydrophobicContact CG-CE1 4.22Å; Q497-Y499 PolarHBondContact O-N 3.05Å; Q497-Y499 VanDerWaalsContact O-N 3.11Å; Y499-P501 WeakPolarHBondContact O-CD 3.29Å; Y499-R506 WeakPolarHBondContact O-CD 3.27Å; Y499-W520 HydrophobicContact CD2-CH2 4.23Å; Y499-W520 WeakPolarHBondContact O-CH2 3.46Å; Y499-W520 WeakPolarHBondContact O-CZ3 3.39Å
500L91.8Very high87.5Confident1 Ų169.3 Ų69.31%0.00533%0.333CS..  trans-78124.9178.1-70.8176.1000110.6I235 I419 Q497 T498 I502 K503I235-L500 HydrophobicContact CD1-CD2 3.54Å; I419-L500 HydrophobicContact CG1-CD2 4.13Å; Q497-L500 HydrophobicContact CB-CD1 4.23Å; Q497-L500 HydrophobicContact CG-CD1 4.44Å; Q497-L500 PolarHBondContact O-N 3.41Å; T498-L500 VanDerWaalsContact C-N 3.31Å; L500-I502 HydrophobicContact CB-CG1 4.32Å; L500-I502 PolarHBondContact O-N 2.93Å; L500-K503 HydrophobicContact CB-CG 3.96Å; L500-K503 VanDerWaalsContact O-CB 3.32Å; L500-K503 WeakPolarHBondContact O-CB 3.47Å; L500-K503 PolarHBondContact O-N 3.49Å
501P91.2Very high87.6Confident29 Ų2969.7 Ų69.719%0.18833%0.331CS..G310 helixtrans-55-36.8178.2-29.437.5000113.2V378 M379 Y499 K503 K504 W520V378-P501 WeakPolarHBondContact O-CD 3.35Å; M379-P501 HydrophobicContact CE-CB 4.4Å; M379-P501 HydrophobicContact CE-CG 4.15Å; M379-P501 HydrophobicContact SD-CG 3.87Å; Y499-P501 WeakPolarHBondContact O-CD 3.29Å; P501-K503 PolarHBondContact O-N 2.61Å; P501-K504 PolarHBondContact O-N 3.44Å; P501-W520 HydrophobicContact CG-CE3 4.46Å; P501-W520 HydrophobicContact CG-CZ3 4.2Å
502I88.6Confident87.4Confident86 Ų8665.4 Ų65.444%0.44134%0.339SS..G310 helixtrans-57.5-22.8178.782.9170.3000113.1L500 K504L500-I502 HydrophobicContact CB-CG1 4.32Å; L500-I502 PolarHBondContact O-N 2.93Å; I502-K504 PolarHBondContact O-N 3.27Å
503K89Confident87.4Confident68 Ų6868.8 Ų68.830%0.29636%0.364SS..G310 helixtrans-77.5-9.1178.5-60.3-64.3-174.6177.10112.9E421 L500 P501 K505E421-K503 WeakPolarHBondContact OE1-CE 3.43Å; E421-K503 IonicContact OE1-NZ 2.57Å; E421-K503 PolarHBondContact OE1-NZ 2.88Å; E421-K503 IonicContact OE2-NZ 3.9Å; L500-K503 HydrophobicContact CB-CG 3.96Å; L500-K503 VanDerWaalsContact O-CB 3.32Å; L500-K503 WeakPolarHBondContact O-CB 3.47Å; L500-K503 PolarHBondContact O-N 3.49Å; P501-K503 PolarHBondContact O-N 2.61Å; K503-K505 PolarHBondContact O-N 3.16Å; K503-K505 VanDerWaalsContact O-N 3.1Å
504K88.7Confident87.8Confident195 Ų19570.3 Ų70.385%0.84838%0.375SS*.SBendtrans54.328.3178.3-56.5-176.3179.1-175.70113.9P501 I502P501-K504 PolarHBondContact O-N 3.44Å; I502-K504 PolarHBondContact O-N 3.27Å
505K87.6Confident88.6Confident114 Ų11466.4 Ų66.450%0.49635%0.354SS..  trans-101-3.7175.1-68.4-174177.8-1710112.9Q494 T498 K503Q494-K505 PolarHBondContact O-NZ 3.42Å; T498-K505 HydrophobicContact CG2-CD 3.79Å; K503-K505 PolarHBondContact O-N 3.16Å; K503-K505 VanDerWaalsContact O-N 3.1Å
506R90.3Very high89.4Confident35 Ų3563.8 Ų63.813%0.13235%0.348CS..SBendtrans-95.9155.2-178-66.5-156.858.8-171.5-0.5111.3Y499 D508 T521 Y523 D526Y499-R506 WeakPolarHBondContact O-CD 3.27Å; R506-D508 PolarHBondContact O-N 3.16Å; R506-T521 VanDerWaalsContact CZ-O 3.25Å; R506-T521 PolarHBondContact NH1-O 3.05Å; R506-T521 PolarHBondContact NH2-O 3.29Å; R506-Y523 HydrophobicContact CG-CD2 4.26Å; R506-Y523 HydrophobicContact CG-CE2 4.16Å; R506-D526 IonicContact CZ-OD2 3.02Å; R506-D526 IonicContact NE-OD2 3.08Å; R506-D526 PolarHBondContact NE-OD2 2.78Å; R506-D526 VanDerWaalsContact NE-OD2 3.14Å; R506-D526 IonicContact NH2-OD1 3.14Å; R506-D526 PolarHBondContact NH2-OD1 3.23Å; R506-D526 IonicContact NH2-OD2 2.87Å
507I90.3Very high90Very high78 Ų7864.5 Ų64.540%0.435%0.352SS..PPolyproline II helixtrans-70.4126.9166.3-61.1170.9000106.6R509 D526I507-R509 HydrophobicContact CG2-CG 4.23Å; I507-R509 PolarHBondContact O-N 2.94Å; I507-D526 PolarHBondContact N-OD2 3.5Å
508D87.9Confident90.4Very high134 Ų13465.8 Ų65.872%0.71736%0.361SS*.PPolyproline II helixtrans-71.9120.8171.7-172.44.9000109.1R506 V510R506-D508 PolarHBondContact O-N 3.16Å; D508-V510 PolarHBondContact OD1-N 3.21Å; D508-V510 VanDerWaalsContact OD1-N 3.12Å
509R90.3Very high90.7Very high48 Ų4866.2 Ų66.218%0.18136%0.362CS..  trans-115.1-8.6-175.8-63.5-179.4-173.2-80.21.3112.3I507 D526 E529I507-R509 HydrophobicContact CG2-CG 4.23Å; I507-R509 PolarHBondContact O-N 2.94Å; R509-D526 IonicContact CZ-OD1 3.4Å; R509-D526 VanDerWaalsContact CZ-OD1 3.31Å; R509-D526 IonicContact NE-OD1 3.2Å; R509-D526 PolarHBondContact NE-OD1 3.49Å; R509-D526 IonicContact NH2-OD1 2.7Å; R509-D526 PolarHBondContact NH2-OD1 3.11Å; R509-E529 IonicContact CZ-OE1 3.65Å; R509-E529 IonicContact CZ-OE2 3.28Å; R509-E529 IonicContact NH1-OE1 2.73Å; R509-E529 PolarHBondContact NH1-OE1 3.12Å; R509-E529 VanDerWaalsContact NH1-OE1 3.15Å; R509-E529 IonicContact NH1-OE2 3.27Å; R509-E529 PolarHBondContact NH1-OE2 2.98Å; R509-E529 IonicContact NH2-OE1 2.89Å; R509-E529 IonicContact NH2-OE2 3.77Å; R509-E529 PolarHBondContact NH2-OE2 3.29Å
510V87.2Confident90.9Very high47 Ų4766.4 Ų66.429%0.28536%0.363SS..  trans-76.9128.7-178-175.60000108.4M379 D508 R519M379-V510 HydrophobicContact CE-CG2 3.82Å; D508-V510 PolarHBondContact OD1-N 3.21Å; D508-V510 VanDerWaalsContact OD1-N 3.12Å; V510-R519 HydrophobicContact CG2-CB 4.11Å
511N88.6Confident91.1Very high91 Ų9167.6 Ų67.649%0.48737%0.37SS..  trans-141178.4177.36764.7000110.5S513 S514N511-S513 PolarHBondContact O-N 2.97Å; N511-S513 WeakPolarHBondContact OD1-CA 3.41Å; N511-S513 WeakPolarHBondContact OD1-CB 3.38Å; N511-S513 PolarHBondContact OD1-N 3.25Å; N511-S513 PolarHBondContact OD1-OG 2.72Å; N511-S514 PolarHBondContact N-OG 2.98Å; N511-S514 VanDerWaalsContact O-CB 3.25Å; N511-S514 WeakPolarHBondContact O-CB 3.11Å; N511-S514 PolarHBondContact O-N 2.88Å; N511-S514 PolarHBondContact O-OG 3.24Å
512A82.8Confident91.4Very high116 Ų11666.2 Ų66.296%0.95936%0.361SS*.THydrogen-bonded Turntrans-61.3-18.7-175.700000114.9
513S87.3Confident91.8Very high98 Ų9862.4 Ų62.469%0.68534%0.341SS*.THydrogen-bonded Turntrans-94.1-4.9175.969.20000113.7N511N511-S513 PolarHBondContact O-N 2.97Å; N511-S513 WeakPolarHBondContact OD1-CA 3.41Å; N511-S513 WeakPolarHBondContact OD1-CB 3.38Å; N511-S513 PolarHBondContact OD1-N 3.25Å; N511-S513 PolarHBondContact OD1-OG 2.72Å
514S90Very high92.2Very high43 Ų4359.1 Ų59.130%0.30133%0.327SS..SBendtrans-69.7137.6178.6-60.90000111.4N511N511-S514 PolarHBondContact N-OG 2.98Å; N511-S514 VanDerWaalsContact O-CB 3.25Å; N511-S514 WeakPolarHBondContact O-CB 3.11Å; N511-S514 PolarHBondContact O-N 2.88Å; N511-S514 PolarHBondContact O-OG 3.24Å
515Y95.7Very high92.7Very high73 Ų7350 Ų5029%0.28629%0.287SS..  trans-71132.8172.8-68.2-75.5000110.8H283 A285 D286 L517 S518H283-Y515 HydrophobicContact CB-CD2 4.06Å; H283-Y515 HydrophobicContact CB-CE2 3.66Å; H283-Y515 AromaticContact CD2-CD2 3.62Å; H283-Y515 AromaticContact CE1-CD1 3.77Å; H283-Y515 AromaticContact CE1-CD2 3.75Å; H283-Y515 AromaticContact CE1-CG 3.6Å; H283-Y515 AromaticContact CG-CD2 3.49Å; H283-Y515 VanDerWaalsContact CG-CD2 3.49Å; H283-Y515 AromaticContact CG-CE2 3.47Å; H283-Y515 VanDerWaalsContact CG-CE2 3.47Å; H283-Y515 AromaticContact ND1-CD2 3.57Å; H283-Y515 AromaticContact ND1-CE1 3.89Å; H283-Y515 AromaticContact ND1-CE2 3.44Å; H283-Y515 WeakPolarHBondContact ND1-CE2 3.16Å; H283-Y515 AromaticContact ND1-CG 3.85Å; H283-Y515 AromaticContact ND1-CZ 3.61Å; H283-Y515 AromaticContact NE2-CD2 3.78Å; H283-Y515 AromaticContact NE2-CG 3.73Å; A285-Y515 HydrophobicContact CB-CE1 3.85Å; D286-Y515 PolarHBondContact OD1-OH 3.22Å; D286-Y515 PolarHBondContact OD2-OH 3.38Å; Y515-L517 PolarHBondContact O-N 3.48Å; Y515-S518 CarbonylContact O-C 3.2Å; Y515-S518 PolarHBondContact O-N 3.48Å
516A95.5Very high93.1Very high52 Ų5244.6 Ų44.643%0.4326%0.264SS..THydrogen-bonded Turntrans-55.9-35.5-178.400000113.6A383 S518 R519A383-A516 HydrophobicContact CB-CB 3.71Å; A516-S518 VanDerWaalsContact C-N 3.35Å; A516-R519 WeakPolarHBondContact O-CG 3.39Å; A516-R519 PolarHBondContact O-NE 3.49Å
517L97Very high93.4Very high44 Ų4443 Ų4323%0.2326%0.258CS..THydrogen-bonded Turntrans-91.19.7179.5-55.6-177.8000113.4L242 F363 C371 E372 Y515L242-L517 HydrophobicContact CD1-CB 3.77Å; L242-L517 HydrophobicContact CD1-CD1 4.5Å; F363-L517 HydrophobicContact CZ-CD1 3.85Å; C371-L517 HydrophobicContact CB-CB 4.15Å; C371-L517 HydrophobicContact CB-CD2 4.41Å; E372-L517 HydrophobicContact CB-CD2 3.73Å; E372-L517 HydrophobicContact CG-CD2 4.35Å; Y515-L517 PolarHBondContact O-N 3.48Å
518S97Very high93.7Very high27 Ų2739.2 Ų39.219%0.18924%0.239CC..  trans-147.755.1-179.7-57.60000110.9H283 Y515 A516H283-S518 PolarHBondContact NE2-OG 3.44Å; Y515-S518 CarbonylContact O-C 3.2Å; Y515-S518 PolarHBondContact O-N 3.48Å; A516-S518 VanDerWaalsContact C-N 3.35Å
519R96.2Very high94Very high12 Ų1234.2 Ų34.25%0.04521%0.211CC..  trans-85.8-35.1-179.8-63.8-177.9-69.4137.8-2.6111.8Q375 D376 M379 E381 N382 V510 A516 T521Q375-R519 VanDerWaalsContact C-NH2 3.35Å; Q375-R519 PolarHBondContact O-NH2 2.95Å; D376-R519 IonicContact OD1-CZ 3.93Å; D376-R519 IonicContact OD1-NH2 3.78Å; D376-R519 PolarHBondContact OD1-NH2 3.27Å; M379-R519 HydrophobicContact CE-CB 4.25Å; M379-R519 HydrophobicContact CG-CB 4.11Å; M379-R519 HydrophobicContact SD-CB 4.27Å; E381-R519 VanDerWaalsContact O-CZ 3.29Å; E381-R519 PolarHBondContact O-NH1 2.88Å; E381-R519 PolarHBondContact O-NH2 2.96Å; N382-R519 PolarHBondContact O-NH1 3.45Å; N382-R519 VanDerWaalsContact O-NH1 3.1Å; V510-R519 HydrophobicContact CG2-CB 4.11Å; A516-R519 WeakPolarHBondContact O-CG 3.39Å; A516-R519 PolarHBondContact O-NE 3.49Å; R519-T521 PolarHBondContact O-N 3.38Å
520W96.4Very high94.3Very high4 Ų433.8 Ų33.82%0.01521%0.211CC..  trans-58133.6175.8175.7-103.3000110.7D233 I235 T236 L239 V378 M379 Y499 P501D233-W520 WeakPolarHBondContact OD2-CZ2 3.45Å; I235-W520 HydrophobicContact CB-CH2 4.32Å; I235-W520 HydrophobicContact CB-CZ2 4.2Å; I235-W520 HydrophobicContact CG2-CH2 4.16Å; I235-W520 HydrophobicContact CG2-CZ2 3.97Å; T236-W520 WeakPolarHBondContact OG1-CZ2 3.48Å; T236-W520 PolarHBondContact OG1-NE1 3.1Å; L239-W520 HydrophobicContact CD1-CB 3.91Å; L239-W520 HydrophobicContact CD1-CD2 3.91Å; L239-W520 HydrophobicContact CD1-CG 3.41Å; L239-W520 VanDerWaalsContact CD1-CG 3.41Å; V378-W520 HydrophobicContact CG1-CD2 3.92Å; V378-W520 HydrophobicContact CG1-CE3 3.17Å; V378-W520 HydrophobicContact CG1-CH2 4.14Å; V378-W520 HydrophobicContact CG1-CZ3 3.28Å; M379-W520 HydrophobicContact SD-CE3 4.34Å; Y499-W520 HydrophobicContact CD2-CH2 4.23Å; Y499-W520 WeakPolarHBondContact O-CH2 3.46Å; Y499-W520 WeakPolarHBondContact O-CZ3 3.39Å; P501-W520 HydrophobicContact CG-CE3 4.46Å; P501-W520 HydrophobicContact CG-CZ3 4.2Å
521T96.1Very high94.6Very high26 Ų2632 Ų3216%0.1620%0.201CC..  trans-116.5135166.5-57.90000108.2R506 R519 Y523 L525 V628R506-T521 VanDerWaalsContact CZ-O 3.25Å; R506-T521 PolarHBondContact NH1-O 3.05Å; R506-T521 PolarHBondContact NH2-O 3.29Å; R519-T521 PolarHBondContact O-N 3.38Å; T521-Y523 PolarHBondContact O-N 2.91Å; T521-L525 HydrophobicContact CG2-CB 4.25Å; T521-L525 HydrophobicContact CG2-CD2 3.7Å; T521-V628 HydrophobicContact CG2-CG1 4.43Å
522P97.5Very high94.8Very high0 Ų028 Ų280%018%0.18CC..  trans-52.3133.5174.6-29.836.4000112.5T236 I524 L525 E625 V628T236-P522 HydrophobicContact CG2-CB 3.99Å; T236-P522 HydrophobicContact CG2-CG 3.89Å; P522-I524 HydrophobicContact CB-CG2 4.09Å; P522-I524 PolarHBondContact O-N 2.93Å; P522-L525 PolarHBondContact O-N 2.94Å; P522-L525 VanDerWaalsContact O-N 3.16Å; P522-E625 HydrophobicContact CB-CG 3.9Å; P522-E625 HydrophobicContact CG-CG 4.47Å; P522-V628 HydrophobicContact CB-CG2 4.36Å; P522-V628 HydrophobicContact CG-CG1 4.36Å
523Y97Very high95.3Very high5 Ų524.7 Ų24.72%0.0215%0.149CC..Hα-helixtrans-67-24.4-173.9-175.9-133.3000112.7L232 D233 T498 R506 T521 L525 D526 I527 R540L232-Y523 HydrophobicContact CD1-CD1 3.95Å; L232-Y523 HydrophobicContact CD1-CE1 3.84Å; L232-Y523 HydrophobicContact CG-CD1 4.02Å; L232-Y523 HydrophobicContact CG-CE1 4.42Å; L232-Y523 WeakPolarHBondContact O-CD1 3.39Å; D233-Y523 WeakPolarHBondContact OD2-CB 3.49Å; D233-Y523 PolarHBondContact OD2-N 2.82Å; T498-Y523 WeakPolarHBondContact OG1-CE1 3.32Å; T498-Y523 PolarHBondContact OG1-OH 3.33Å; R506-Y523 HydrophobicContact CG-CD2 4.26Å; R506-Y523 HydrophobicContact CG-CE2 4.16Å; T521-Y523 PolarHBondContact O-N 2.91Å; Y523-L525 PolarHBondContact O-N 2.71Å; Y523-L525 VanDerWaalsContact O-N 3.11Å; Y523-D526 HydrophobicContact CD2-CB 3.89Å; Y523-D526 HydrophobicContact CE2-CB 3.84Å; Y523-D526 WeakPolarHBondContact O-CB 3.24Å; Y523-D526 PolarHBondContact O-N 3.3Å; Y523-I527 HydrophobicContact CD1-CG1 4.4Å; Y523-I527 HydrophobicContact CE1-CD1 3.86Å; Y523-I527 HydrophobicContact CE1-CG1 4.21Å; Y523-I527 HydrophobicContact CE2-CD1 4.3Å; Y523-I527 PolarHBondContact O-N 3.23Å; Y523-R540 PolarHBondContact OH-NH1 3.07Å
524I97.5Very high95.4Very high0 Ų023.3 Ų23.30%015%0.151CC..Hα-helixtrans-55.7-28.3175.3-163.963.9000112.5V228 L232 P522 I527 M528 V615 E625 V628V228-I524 HydrophobicContact CG2-CD1 3.96Å; L232-I524 HydrophobicContact CD2-CD1 3.67Å; P522-I524 HydrophobicContact CB-CG2 4.09Å; P522-I524 PolarHBondContact O-N 2.93Å; I524-I527 HydrophobicContact CD1-CB 4.39Å; I524-I527 PolarHBondContact O-N 2.97Å; I524-M528 HydrophobicContact CG1-CE 4.4Å; I524-M528 HydrophobicContact CG1-CG 4.28Å; I524-M528 HydrophobicContact CG1-SD 4.46Å; I524-M528 HydrophobicContact CG2-CE 4.14Å; I524-M528 VanDerWaalsContact O-CG 3.28Å; I524-M528 WeakPolarHBondContact O-CG 3.44Å; I524-M528 PolarHBondContact O-N 2.96Å; I524-V615 HydrophobicContact CD1-CG1 4.09Å; I524-V615 HydrophobicContact CG1-CG1 4.28Å; I524-E625 HydrophobicContact CG2-CB 3.92Å; I524-E625 HydrophobicContact CG2-CG 3.68Å; I524-V628 HydrophobicContact CG2-CG2 3.96Å
525L97.5Very high95.6Very high4 Ų428.5 Ų28.52%0.02117%0.168CC..Hα-helixtrans-62.5-44.8175.6-179.557.1000111.9T521 P522 Y523 I527 M528 E529 V628 L632T521-L525 HydrophobicContact CG2-CB 4.25Å; T521-L525 HydrophobicContact CG2-CD2 3.7Å; P522-L525 PolarHBondContact O-N 2.94Å; P522-L525 VanDerWaalsContact O-N 3.16Å; Y523-L525 PolarHBondContact O-N 2.71Å; Y523-L525 VanDerWaalsContact O-N 3.11Å; L525-I527 PolarHBondContact O-N 3.3Å; L525-M528 HydrophobicContact CB-CE 4.47Å; L525-M528 HydrophobicContact CD1-CE 4.25Å; L525-M528 PolarHBondContact O-N 3.24Å; L525-E529 HydrophobicContact CD1-CG 4.14Å; L525-E529 WeakPolarHBondContact O-CG 3.27Å; L525-E529 PolarHBondContact O-N 3.34Å; L525-V628 HydrophobicContact CB-CB 4.06Å; L525-V628 HydrophobicContact CB-CG1 4.41Å; L525-V628 HydrophobicContact CB-CG2 4.05Å; L525-V628 HydrophobicContact CD1-CB 4.17Å; L525-V628 HydrophobicContact CD2-CB 4.21Å; L525-V628 HydrophobicContact CD2-CG1 4.15Å; L525-V628 HydrophobicContact CG-CB 4.35Å; L525-L632 HydrophobicContact CD1-CB 4.34Å; L525-L632 HydrophobicContact CD1-CD2 4.17Å
526D96.2Very high95.5Very high0 Ų025.9 Ų25.90%016%0.159CC..Hα-helixtrans-59.6-41.3177.2-59.912.6000109.8R506 I507 R509 Y523 Q530R506-D526 IonicContact CZ-OD2 3.02Å; R506-D526 IonicContact NE-OD2 3.08Å; R506-D526 PolarHBondContact NE-OD2 2.78Å; R506-D526 VanDerWaalsContact NE-OD2 3.14Å; R506-D526 IonicContact NH2-OD1 3.14Å; R506-D526 PolarHBondContact NH2-OD1 3.23Å; R506-D526 IonicContact NH2-OD2 2.87Å; I507-D526 PolarHBondContact N-OD2 3.5Å; R509-D526 IonicContact CZ-OD1 3.4Å; R509-D526 VanDerWaalsContact CZ-OD1 3.31Å; R509-D526 IonicContact NE-OD1 3.2Å; R509-D526 PolarHBondContact NE-OD1 3.49Å; R509-D526 IonicContact NH2-OD1 2.7Å; R509-D526 PolarHBondContact NH2-OD1 3.11Å; Y523-D526 HydrophobicContact CD2-CB 3.89Å; Y523-D526 HydrophobicContact CE2-CB 3.84Å; Y523-D526 WeakPolarHBondContact O-CB 3.24Å; Y523-D526 PolarHBondContact O-N 3.3Å; D526-Q530 WeakPolarHBondContact O-CB 3.31Å; D526-Q530 WeakPolarHBondContact O-CG 3.45Å; D526-Q530 PolarHBondContact O-N 2.86Å
527I96.7Very high95.4Very high0 Ų026.5 Ų26.50%016%0.155CC..Hα-helixtrans-67.5-43.8179.2-56.8-50.3000111.5L226 L232 Y523 I524 L525 Q530 A531 L536 F541L226-I527 HydrophobicContact CD1-CG2 4.43Å; L226-I527 HydrophobicContact CD2-CG2 3.66Å; L232-I527 HydrophobicContact CD1-CD1 4.43Å; L232-I527 HydrophobicContact CD1-CG1 4.16Å; L232-I527 HydrophobicContact CD2-CG1 4.13Å; Y523-I527 HydrophobicContact CD1-CG1 4.4Å; Y523-I527 HydrophobicContact CE1-CD1 3.86Å; Y523-I527 HydrophobicContact CE1-CG1 4.21Å; Y523-I527 HydrophobicContact CE2-CD1 4.3Å; Y523-I527 PolarHBondContact O-N 3.23Å; I524-I527 HydrophobicContact CD1-CB 4.39Å; I524-I527 PolarHBondContact O-N 2.97Å; L525-I527 PolarHBondContact O-N 3.3Å; I527-Q530 PolarHBondContact O-N 2.8Å; I527-A531 WeakPolarHBondContact O-CB 3.37Å; I527-A531 PolarHBondContact O-N 3.49Å; I527-L536 HydrophobicContact CG2-CD1 3.88Å; I527-F541 HydrophobicContact CD1-CE2 4.02Å; I527-F541 HydrophobicContact CD1-CZ 3.97Å; I527-F541 HydrophobicContact CG1-CZ 4.3Å; I527-F541 HydrophobicContact CG2-CE1 4Å; I527-F541 HydrophobicContact CG2-CE2 4.4Å; I527-F541 HydrophobicContact CG2-CZ 3.66Å
528M97.2Very high95.2Very high0 Ų032.9 Ų32.90%018%0.181CC..Hα-helixtrans-64.3-44.2178.1-69.9-175.4-6600111.9I524 L525 Q530 A531 I532 L613 V615 V628 L632 V673 L675I524-M528 HydrophobicContact CG1-CE 4.4Å; I524-M528 HydrophobicContact CG1-CG 4.28Å; I524-M528 HydrophobicContact CG1-SD 4.46Å; I524-M528 HydrophobicContact CG2-CE 4.14Å; I524-M528 VanDerWaalsContact O-CG 3.28Å; I524-M528 WeakPolarHBondContact O-CG 3.44Å; I524-M528 PolarHBondContact O-N 2.96Å; L525-M528 HydrophobicContact CB-CE 4.47Å; L525-M528 HydrophobicContact CD1-CE 4.25Å; L525-M528 PolarHBondContact O-N 3.24Å; M528-Q530 VanDerWaalsContact C-N 3.33Å; M528-Q530 PolarHBondContact O-N 3.24Å; M528-A531 PolarHBondContact O-N 2.8Å; M528-I532 WeakPolarHBondContact O-CB 3.26Å; M528-I532 WeakPolarHBondContact O-CG1 3.38Å; M528-I532 PolarHBondContact O-N 2.96Å; M528-L613 HydrophobicContact CB-CD2 3.78Å; M528-L613 HydrophobicContact CG-CD2 3.84Å; M528-V615 HydrophobicContact CG-CG2 3.97Å; M528-V615 HydrophobicContact SD-CG2 3.87Å; M528-V628 HydrophobicContact CE-CG2 3.84Å; M528-L632 HydrophobicContact CB-CD2 3.53Å; M528-L632 HydrophobicContact CE-CD2 4.43Å; M528-L632 HydrophobicContact SD-CD2 4.47Å; M528-V673 HydrophobicContact SD-CG1 3.74Å; M528-L675 HydrophobicContact SD-CD1 4.42Å
529E95.4Very high95Very high28 Ų2835.1 Ų35.113%0.13120%0.196CC..Hα-helixtrans-63-39.3176-73.5175.6167.900111.8R509 L525 S533 L632 R635R509-E529 IonicContact CZ-OE1 3.65Å; R509-E529 IonicContact CZ-OE2 3.28Å; R509-E529 IonicContact NH1-OE1 2.73Å; R509-E529 PolarHBondContact NH1-OE1 3.12Å; R509-E529 VanDerWaalsContact NH1-OE1 3.15Å; R509-E529 IonicContact NH1-OE2 3.27Å; R509-E529 PolarHBondContact NH1-OE2 2.98Å; R509-E529 IonicContact NH2-OE1 2.89Å; R509-E529 IonicContact NH2-OE2 3.77Å; R509-E529 PolarHBondContact NH2-OE2 3.29Å; L525-E529 HydrophobicContact CD1-CG 4.14Å; L525-E529 WeakPolarHBondContact O-CG 3.27Å; L525-E529 PolarHBondContact O-N 3.34Å; E529-S533 WeakPolarHBondContact O-CB 3.29Å; E529-S533 PolarHBondContact O-N 2.66Å; E529-S533 PolarHBondContact O-OG 3.13Å; E529-L632 HydrophobicContact CG-CD1 3.9Å; E529-L632 HydrophobicContact CG-CD2 4.35Å; E529-R635 IonicContact OE1-NH1 3.31Å
530Q95Very high94.8Very high40 Ų4035.7 Ų35.719%0.18720%0.199CC..Hα-helixtrans-65.9-39.4173.9-74.5171.428.900112.3D526 I527 M528 S533 G534 K535 L536D526-Q530 WeakPolarHBondContact O-CB 3.31Å; D526-Q530 WeakPolarHBondContact O-CG 3.45Å; D526-Q530 PolarHBondContact O-N 2.86Å; I527-Q530 PolarHBondContact O-N 2.8Å; M528-Q530 VanDerWaalsContact C-N 3.33Å; M528-Q530 PolarHBondContact O-N 3.24Å; Q530-S533 PolarHBondContact O-OG 2.91Å; Q530-G534 PolarHBondContact O-N 3.05Å; Q530-G534 VanDerWaalsContact O-N 3.13Å; Q530-K535 PolarHBondContact O-N 2.91Å; Q530-L536 HydrophobicContact CB-CB 4.5Å; Q530-L536 HydrophobicContact CB-CD1 3.74Å; Q530-L536 PolarHBondContact O-N 3.24Å
531A95Very high94.9Very high10 Ų1035.7 Ų35.78%0.08320%0.199CC..Hα-helixtrans-64.3-48.9176.300000111.3I527 M528 S533 G534 L536 L613I527-A531 WeakPolarHBondContact O-CB 3.37Å; I527-A531 PolarHBondContact O-N 3.49Å; M528-A531 PolarHBondContact O-N 2.8Å; A531-S533 VanDerWaalsContact C-N 3.3Å; A531-S533 PolarHBondContact O-N 3.17Å; A531-G534 PolarHBondContact O-N 3.47Å; A531-G534 VanDerWaalsContact O-N 3.1Å; A531-L536 HydrophobicContact CB-CD1 4.47Å; A531-L613 HydrophobicContact CB-CD1 4.28Å; A531-L613 HydrophobicContact CB-CD2 4.42Å
532I92.5Very high94.9Very high7 Ų734.9 Ų34.94%0.03620%0.196CC..Hα-helixtrans-58.6-41.3177.6-74.5175.6000111.8M528 G534 L613 L632 W669 W671M528-I532 WeakPolarHBondContact O-CB 3.26Å; M528-I532 WeakPolarHBondContact O-CG1 3.38Å; M528-I532 PolarHBondContact O-N 2.96Å; I532-G534 VanDerWaalsContact C-N 3.29Å; I532-G534 PolarHBondContact O-N 3.11Å; I532-L613 HydrophobicContact CD1-CD2 4.31Å; I532-L613 HydrophobicContact CG1-CD2 4.05Å; I532-L632 HydrophobicContact CD1-CD1 4.28Å; I532-L632 HydrophobicContact CD1-CD2 3.62Å; I532-L632 HydrophobicContact CD1-CG 3.88Å; I532-W669 HydrophobicContact CG2-CE3 4.19Å; I532-W669 HydrophobicContact CG2-CZ3 4.17Å; I532-W671 HydrophobicContact CB-CD2 4.42Å; I532-W671 HydrophobicContact CB-CG 4.38Å; I532-W671 HydrophobicContact CD1-CB 3.83Å; I532-W671 HydrophobicContact CD1-CG 4.05Å; I532-W671 HydrophobicContact CG1-CB 4.12Å; I532-W671 HydrophobicContact CG1-CD2 3.83Å; I532-W671 HydrophobicContact CG1-CE3 4.19Å; I532-W671 HydrophobicContact CG1-CG 3.81Å; I532-W671 HydrophobicContact CG2-CD2 4.31Å; I532-W671 HydrophobicContact CG2-CG 3.9Å
533S91.7Very high94.8Very high45 Ų4540.1 Ų40.132%0.31522%0.218SC..THydrogen-bonded Turntrans-82.8-1.8-179.860.70000114.3E529 Q530 A531 K535E529-S533 WeakPolarHBondContact O-CB 3.29Å; E529-S533 PolarHBondContact O-N 2.66Å; E529-S533 PolarHBondContact O-OG 3.13Å; Q530-S533 PolarHBondContact O-OG 2.91Å; A531-S533 VanDerWaalsContact C-N 3.3Å; A531-S533 PolarHBondContact O-N 3.17Å; S533-K535 PolarHBondContact O-N 2.89Å
534G91Very high94.7Very high70 Ų7041.2 Ų41.272%0.72223%0.226SC*.THydrogen-bonded Turntrans67.220.2-17600000114.2Q530 A531 I532Q530-G534 PolarHBondContact O-N 3.05Å; Q530-G534 VanDerWaalsContact O-N 3.13Å; A531-G534 PolarHBondContact O-N 3.47Å; A531-G534 VanDerWaalsContact O-N 3.1Å; I532-G534 VanDerWaalsContact C-N 3.29Å; I532-G534 PolarHBondContact O-N 3.11Å
535K94.3Very high93.8Very high151 Ų15146.4 Ų46.466%0.65726%0.257SS*.  trans-105.916.4-176.3-64.4-178.7-177.8178.20113.5Q530 S533Q530-K535 PolarHBondContact O-N 2.91Å; S533-K535 PolarHBondContact O-N 2.89Å
536L93.5Very high92.2Very high19 Ų1949.4 Ų49.410%0.09928%0.282CS..  trans-61.7135.8180-157.271000111.6C186 L226 I527 Q530 A531 K538 F541C186-L536 WeakPolarHBondContact SG-CD2 3.22Å; L226-L536 HydrophobicContact CD1-CD2 4.42Å; I527-L536 HydrophobicContact CG2-CD1 3.88Å; Q530-L536 HydrophobicContact CB-CB 4.5Å; Q530-L536 HydrophobicContact CB-CD1 3.74Å; Q530-L536 PolarHBondContact O-N 3.24Å; A531-L536 HydrophobicContact CB-CD1 4.47Å; L536-K538 PolarHBondContact O-N 3.16Å; L536-F541 HydrophobicContact CD1-CD2 3.99Å; L536-F541 HydrophobicContact CD1-CE2 4.08Å; L536-F541 HydrophobicContact CD1-CG 4.31Å; L536-F541 HydrophobicContact CD1-CZ 4.45Å; L536-F541 HydrophobicContact CD2-CB 3.43Å; L536-F541 VanDerWaalsContact CD2-CB 3.43Å; L536-F541 HydrophobicContact CD2-CD1 3.7Å; L536-F541 HydrophobicContact CD2-CD2 3.88Å; L536-F541 HydrophobicContact CD2-CE1 4.41Å; L536-F541 HydrophobicContact CD2-CG 3.39Å; L536-F541 HydrophobicContact CG-CB 3.9Å; L536-F541 HydrophobicContact CG-CD1 4.34Å; L536-F541 HydrophobicContact CG-CD2 3.62Å; L536-F541 HydrophobicContact CG-CE2 4.22Å; L536-F541 HydrophobicContact CG-CG 3.69Å
537D92.6Very high90.1Very high65 Ų6556 Ų5635%0.34831%0.311SS..  trans-64.8107.6-177.7179.5-1.1000111.7S539 R540 F541D537-S539 PolarHBondContact O-N 3.32Å; D537-S539 VanDerWaalsContact O-N 3.15Å; D537-S539 VanDerWaalsContact OD1-CB 3.29Å; D537-S539 WeakPolarHBondContact OD1-CB 3.21Å; D537-S539 PolarHBondContact OD1-N 3.1Å; D537-S539 PolarHBondContact OD1-OG 3.28Å; D537-S539 PolarHBondContact OD2-OG 3.04Å; D537-R540 PolarHBondContact O-N 3.14Å; D537-R540 WeakPolarHBondContact OD2-CD 3.46Å; D537-F541 PolarHBondContact O-N 3.36Å
538K93.5Very high87.6Confident177 Ų17758.7 Ų58.777%0.7734%0.339SS*.THydrogen-bonded Turntrans-63.7-17.1-179.5-62.1-177.4-178.6178.90113.9K189 L536K189-K538 VanDerWaalsContact CE-O 3.32Å; K189-K538 WeakPolarHBondContact CE-O 3.4Å; K189-K538 PolarHBondContact NZ-O 3.44Å; L536-K538 PolarHBondContact O-N 3.16Å
539S91.8Very high85.1Confident74 Ų7463.6 Ų63.652%0.51737%0.365SS..THydrogen-bonded Turntrans-72.8-34173.9750000111K189 D537K189-S539 WeakPolarHBondContact CD-O 3.38Å; K189-S539 WeakPolarHBondContact CE-O 3.34Å; K189-S539 PolarHBondContact NZ-O 2.77Å; K189-S539 VanDerWaalsContact NZ-O 3.08Å; D537-S539 PolarHBondContact O-N 3.32Å; D537-S539 VanDerWaalsContact O-N 3.15Å; D537-S539 VanDerWaalsContact OD1-CB 3.29Å; D537-S539 WeakPolarHBondContact OD1-CB 3.21Å; D537-S539 PolarHBondContact OD1-N 3.1Å; D537-S539 PolarHBondContact OD1-OG 3.28Å; D537-S539 PolarHBondContact OD2-OG 3.04Å
540R93.3Very high82.5Confident24 Ų2471.7 Ų71.79%0.09140%0.399CS..THydrogen-bonded Turntrans-101.7-24.3-175.2-6517864.7-142.3-3.9114.2K189 T498 Y523 D537K189-R540 WeakPolarHBondContact CB-O 3.42Å; K189-R540 WeakPolarHBondContact CG-O 3.42Å; K189-R540 PolarHBondContact N-O 3.16Å; T498-R540 PolarHBondContact OG1-NH1 2.87Å; T498-R540 VanDerWaalsContact OG1-NH1 3.13Å; T498-R540 PolarHBondContact OG1-NH2 3.26Å; Y523-R540 PolarHBondContact OH-NH1 3.07Å; D537-R540 PolarHBondContact O-N 3.14Å; D537-R540 WeakPolarHBondContact OD2-CD 3.46Å
541F96.7Very high79.9Confident5 Ų575.3 Ų75.32%0.02242%0.42CS..EExtended strand (participates in β ladder)trans-121.1137.1-178.8-65.6-91.6000111.1Y187 Q188 K189 L226 V228 L232 I527 L536 D537Y187-F541 CarbonylContact O-C 3.51Å; Y187-F541 VanDerWaalsContact O-CA 3.26Å; Y187-F541 WeakPolarHBondContact O-CA 3.27Å; Q188-F541 HydrophobicContact CB-CD1 4.21Å; Q188-F541 HydrophobicContact CB-CE1 3.87Å; K189-F541 WeakPolarHBondContact CE-O 3.36Å; L226-F541 HydrophobicContact CD1-CD1 4.03Å; L226-F541 HydrophobicContact CD1-CE1 3.96Å; V228-F541 HydrophobicContact CG1-CE1 3.93Å; L232-F541 HydrophobicContact CD1-CZ 4.29Å; I527-F541 HydrophobicContact CD1-CE2 4.02Å; I527-F541 HydrophobicContact CD1-CZ 3.97Å; I527-F541 HydrophobicContact CG1-CZ 4.3Å; I527-F541 HydrophobicContact CG2-CE1 4Å; I527-F541 HydrophobicContact CG2-CE2 4.4Å; I527-F541 HydrophobicContact CG2-CZ 3.66Å; L536-F541 HydrophobicContact CD1-CD2 3.99Å; L536-F541 HydrophobicContact CD1-CE2 4.08Å; L536-F541 HydrophobicContact CD1-CG 4.31Å; L536-F541 HydrophobicContact CD1-CZ 4.45Å; L536-F541 HydrophobicContact CD2-CB 3.43Å; L536-F541 VanDerWaalsContact CD2-CB 3.43Å; L536-F541 HydrophobicContact CD2-CD1 3.7Å; L536-F541 HydrophobicContact CD2-CD2 3.88Å; L536-F541 HydrophobicContact CD2-CE1 4.41Å; L536-F541 HydrophobicContact CD2-CG 3.39Å; L536-F541 HydrophobicContact CG-CB 3.9Å; L536-F541 HydrophobicContact CG-CD1 4.34Å; L536-F541 HydrophobicContact CG-CD2 3.62Å; L536-F541 HydrophobicContact CG-CE2 4.22Å; L536-F541 HydrophobicContact CG-CG 3.69Å; D537-F541 PolarHBondContact O-N 3.36Å
542G96.5Very high77.6Confident9 Ų978 Ų789%0.09344%0.435CS..EExtended strand (participates in β ladder)trans-116.4162.4175.500000111.3C186 Y187C186-G542 CarbonylContact C-O 3.5Å; C186-G542 VanDerWaalsContact CA-O 3.3Å; C186-G542 WeakPolarHBondContact CA-O 3.34Å; Y187-G542 VanDerWaalsContact CD1-O 3.24Å; Y187-G542 WeakPolarHBondContact CD1-O 3.49Å; Y187-G542 VanDerWaalsContact CE1-C 3.4Å; Y187-G542 WeakPolarHBondContact CE1-O 3.38Å; Y187-G542 PolarHBondContact N-O 3.39Å; Y187-G542 PolarHBondContact O-N 2.96Å
543F96.4Very high75.1Confident109 Ų10985.4 Ų85.448%0.47847%0.467SS..EExtended strand (participates in β ladder)trans-115.6139.8170.9-74.1-97.1000109.3I185 C186 L224 V545I185-F543 WeakPolarHBondContact O-CA 3.49Å; C186-F543 HydrophobicContact CB-CD1 3.91Å; C186-F543 HydrophobicContact CB-CE1 3.6Å; C186-F543 HydrophobicContact CB-CE2 4.49Å; C186-F543 HydrophobicContact CB-CZ 3.91Å; L224-F543 HydrophobicContact CD2-CE1 4.17Å; F543-V545 PolarHBondContact O-N 3.02Å
544V94.5Very high72.1Confident28 Ų2887 Ų8717%0.1749%0.491CS..  trans-69.6125171.2-178.30000108.1I185 Y187 A197 Q201I185-V544 HydrophobicContact CB-CB 4.28Å; I185-V544 HydrophobicContact CB-CG2 4.02Å; I185-V544 HydrophobicContact CG2-CG2 4.1Å; I185-V544 PolarHBondContact O-N 3.36Å; Y187-V544 HydrophobicContact CD1-CG2 4.15Å; Y187-V544 HydrophobicContact CE1-CG2 4.26Å; A197-V544 HydrophobicContact CB-CG2 3.47Å; A197-V544 VanDerWaalsContact CB-CG2 3.47Å; Q201-V544 HydrophobicContact CB-CG1 4.05Å; Q201-V544 HydrophobicContact CG-CG1 4.01Å
545V79.4Confident69.2Low109 Ų10991.6 Ų91.666%0.66150%0.498SS*.  trans-86.9116170.1-178.20000106.7F543 K547F543-V545 PolarHBondContact O-N 3.02Å; V545-K547 HydrophobicContact CG1-CG 4.34Å; V545-K547 PolarHBondContact O-N 2.81Å
546A62.4Low66Low67 Ų6787.6 Ų87.655%0.55450%0.499SS*.  trans-59.499.3172.200000108.9
547K52.5Low62.7Low138 Ų13894.5 Ų94.560%0.654%0.537SS*.  trans-103.5139.1168.4-73-172.6175.6-173.60107V545V545-K547 HydrophobicContact CG1-CG 4.34Å; V545-K547 PolarHBondContact O-N 2.81Å
548G45.2Very low59.6Low58 Ų5896.1 Ų96.160%0.59856%0.559SS**  trans-53148-178.200000112.3K550 D551G548-K550 PolarHBondContact O-N 3.46Å; G548-D551 PolarHBondContact O-N 2.76Å
549I44.9Very low56.5Low103 Ų10393.8 Ų93.853%0.52856%0.559SS.*G310 helixtrans-46.4-17.3-172.7-65.9167.8000115.3D551I549-D551 PolarHBondContact O-N 3.33Å
550K40.3Very low53.3Low197 Ų19797.9 Ų97.986%0.85758%0.575SS**G310 helixtrans-72.5-21.5-178.3-73.1-175.2175.7-179.40115.3G548G548-K550 PolarHBondContact O-N 3.46Å
551D39.5Very low50.2Low116 Ų116102.8 Ų102.862%0.6261%0.608SS**G310 helixtrans-97.3-6.2-172-68.2-17000114.4G548 I549G548-D551 PolarHBondContact O-N 2.76Å; I549-D551 PolarHBondContact O-N 3.33Å
552V47.3Very low46.8Very low66 Ų66108.1 Ų108.140%0.465%0.646SS.*SBendtrans-80.3-28.4-175.5178.10000112.1V202 G554V202-V552 HydrophobicContact CG2-CG1 4.29Å; V202-V552 HydrophobicContact CG2-CG2 4.15Å; V552-G554 PolarHBondContact O-N 2.89Å
553F39.2Very low43.8Very low164 Ų164113.3 Ų113.372%0.71968%0.681SS**SBendtrans-96.180.1172.9-64.8-77.3000109.9L555F553-L555 PolarHBondContact O-N 3.38Å
554G29.2Very low40.5Very low79 Ų79117.1 Ų117.181%0.81470%0.697SS**  trans-6568.1169.300000112.5V552 G556V552-G554 PolarHBondContact O-N 2.89Å; G554-G556 PolarHBondContact O-N 3.28Å
555L31Very low37.3Very low166 Ų166122.8 Ų122.887%0.86973%0.726SS**  trans-92.876.1162.2-82.9161.1000107.9F553F553-L555 PolarHBondContact O-N 3.38Å
556G26.3Very low34.9Very low66 Ų66127.8 Ų127.868%0.6874%0.74SS**  trans-94.8108.4169.100000110.8G554G554-G556 PolarHBondContact O-N 3.28Å
557N25.2Very low33.3Very low165 Ų165134 Ų13488%0.88275%0.754SS**  trans56.897.7153.3-62.7-9.2000119.7
558A25.7Very low32.1Very low98 Ų98136.8 Ų136.881%0.8177%0.766SS**  trans-159.9140.4131.200000111.3
559V29.8Very low31.4Very low128 Ų128140.1 Ų140.178%0.77678%0.777SS**  trans98.192.7167.5-166.20000116.2
560D24.1Very low30.8Very low161 Ų161140.5 Ų140.586%0.86179%0.789SS**  trans-52.9129.3147.6-83.2-41000110.1
561T28.8Very low30.3Very low127 Ų127135.3 Ų135.378%0.77978%0.783SS**  trans-164.8128.1139.315.90000110.2
562S25.3Very low29.8Very low116 Ų116139.9 Ų139.981%0.81179%0.792SS**  trans-55.7129.7172.754.40000113.1
563S32.1Very low29Very low118 Ų118146.4 Ų146.483%0.82582%0.815SS**  trans-166.9138.914243.20000111.4
564K27.7Very low28.4Very low190 Ų190145.3 Ų145.383%0.82681%0.812SS**  trans-72.6158.1176.9-69.7172.6173.5175.60110.5
565D28.2Very low28.5Very low146 Ų146146.5 Ų146.578%0.78181%0.814SS**  trans73.593.2161.6-57-47.9000117.8
566F27.5Very low28.3Very low214 Ų214143.4 Ų143.494%0.93981%0.807SS**  trans-152.6111.6141.1-124.8-89.2000111.4
567K29Very low28.6Very low198 Ų198143.6 Ų143.686%0.86181%0.808SS**  trans-69.4124.6170.7-76.8176.4175.1174.90109.4
568K28.9Very low28.7Very low196 Ų196142.3 Ų142.385%0.85281%0.806SS**  trans-66.4138166.8-75.6-179.8174.5-179.90110.6
569P29.4Very low29Very low128 Ų128145.7 Ų145.783%0.83181%0.81SS**  trans-84.5114.216130.4-25.3000109.7
570S31.8Very low29.2Very low112 Ų112144.9 Ų144.978%0.78381%0.809SS**  trans-79.6108.9163.3-64.60000109.1R572S570-R572 PolarHBondContact O-N 2.95Å
571A31.4Very low29.4Very low88 Ų88142.4 Ų142.473%0.72781%0.811SS**  trans-82.884.3165.600000109.2F573A571-F573 PolarHBondContact O-N 2.81Å
572R29.1Very low29.6Very low211 Ų211139.5 Ų139.580%0.79681%0.807SS**  trans-72110.6158.5-98.2179.9178.1159.6-0.5107.5S570 H574S570-R572 PolarHBondContact O-N 2.95Å; R572-H574 PolarHBondContact O-N 3.43Å; R572-H574 VanDerWaalsContact O-N 3.17Å
573F29.5Very low29.9Very low204 Ų204140.2 Ų140.290%0.89581%0.808SS**  trans-77.594.4160.1-80.4-84.5000108.6A571 A575A571-F573 PolarHBondContact O-N 2.81Å; F573-A575 PolarHBondContact O-N 3.01Å
574H26.6Very low29.7Very low140 Ų140140.8 Ų140.865%0.64881%0.813SS**  trans-80.1104.1159.1-87.4-80.5000108.2R572 S576R572-H574 PolarHBondContact O-N 3.43Å; R572-H574 VanDerWaalsContact O-N 3.17Å; H574-S576 VanDerWaalsContact C-N 3.3Å; H574-S576 PolarHBondContact O-N 3.16Å
575A30.3Very low29.8Very low104 Ų104136.1 Ų136.186%0.8681%0.81SS**  trans-84.681157.100000108.1F573 G577F573-A575 PolarHBondContact O-N 3.01Å; A575-G577 PolarHBondContact O-N 3.46Å
576S28.2Very low29.8Very low102 Ų102134.6 Ų134.671%0.71381%0.81SS**  trans-82.886.2168-57.40000108.5H574H574-S576 VanDerWaalsContact C-N 3.3Å; H574-S576 PolarHBondContact O-N 3.16Å
577G31.4Very low30Very low69 Ų69130.5 Ų130.571%0.71180%0.802SS**  trans-95.6109.7163.700000109.1A575 L579A575-G577 PolarHBondContact O-N 3.46Å; G577-L579 PolarHBondContact O-N 3.44Å
578V28.9Very low29.8Very low139 Ų139132.3 Ų132.384%0.84280%0.804SS**  trans-55.3115.7177.3175.80000110.3
579L31.2Very low29.8Very low169 Ų169128 Ų12889%0.88580%0.798SS**  trans-124.5110.8157.4-76.6174.5000108.1G577 A581G577-L579 PolarHBondContact O-N 3.44Å; L579-A581 PolarHBondContact O-N 3.02Å
580S33.8Very low29.8Very low110 Ų110126.9 Ų126.977%0.76979%0.794SS**  trans-62.3124.8170.845.80000110.1G582S580-G582 PolarHBondContact O-N 3.21Å
581A29.2Very low29.6Very low109 Ų109127.4 Ų127.490%0.90180%0.797SS**  trans-65.4118.5165.700000109.5L579L579-A581 PolarHBondContact O-N 3.02Å
582G32Very low29.6Very low66 Ų66129.1 Ų129.168%0.6880%0.801SS**  trans-120.1143.2164.500000108.8S580S580-G582 PolarHBondContact O-N 3.21Å
583P32.6Very low29.6Very low131 Ų131126.4 Ų126.485%0.85180%0.802SS**  trans-79149.1-162.731.7-33.2000112.9A585P583-A585 PolarHBondContact O-N 3.38Å
584S27.1Very low29.6Very low131 Ų131123.1 Ų123.192%0.91680%0.801SS**  trans-44.5122.7173.9-54.80000113.4
585A30.7Very low29.7Very low92 Ų92119.6 Ų119.676%0.7680%0.803SS**  trans-118.6115.5161.400000109P583P583-A585 PolarHBondContact O-N 3.38Å
586S27.7Very low29.5Very low114 Ų114120 Ų12080%0.79780%0.799SS**  trans-60124.6166.7165.80000110.2
587V31.3Very low29.5Very low127 Ų127122.5 Ų122.577%0.7781%0.805SS**  trans-133.1116.3161.9-178.70000109.2
588R24.7Very low29.2Very low237 Ų237130.8 Ų130.889%0.89482%0.815SS**  trans-77.6129.1164.5-75.8172.6166177.1-4.7109.3
589S28.8Very low29.2Very low104 Ų104130.6 Ų130.673%0.72781%0.809SS**  trans156.2138.9149.856.20000107.1
590S30.3Very low29.2Very low106 Ų106129 Ų12974%0.74181%0.807SS**  cis-172.6137.58.526.10000105.5
591S26.1Very low28.9Very low123 Ų123128.9 Ų128.986%0.8681%0.812SS**  trans-56.3145.3175.9-62.70000112.9
592P31.3Very low29.2Very low123 Ų123127.2 Ų127.280%0.79980%0.798SS**  trans-108.6145.4146.427.8-13.4000111.3
593N30.1Very low29.2Very low155 Ų155126.8 Ų126.883%0.82979%0.785SS**  trans-49.4154.3-177.7-76.7-31.7000115.4G595N593-G595 PolarHBondContact O-N 3.04Å
594P28.5Very low29.5Very low135 Ų135123.9 Ų123.988%0.87777%0.768SS**  trans-78.292.5169.532.8-28.8000109.5
595G28.9Very low30.7Very low66 Ų66118.4 Ų118.468%0.6873%0.728SS**  trans-87.6139.5165.100000110.1N593 D597N593-G595 PolarHBondContact O-N 3.04Å; G595-D597 PolarHBondContact O-N 3.32Å
596S27.2Very low31.3Very low112 Ų112118.4 Ų118.478%0.78373%0.728SS**  trans-60110.2-171.656.70000114.9
597D27.4Very low32.2Very low155 Ų155120.1 Ų120.183%0.82972%0.723SS**  trans-110.886.2155.1-81.5-34000109.2G595 N599G595-D597 PolarHBondContact O-N 3.32Å; D597-N599 VanDerWaalsContact C-N 3.25Å; D597-N599 PolarHBondContact O-N 2.76Å
598R26.3Very low33.4Very low242 Ų242115 Ų11591%0.91369%0.691SS**  trans-80.579.1159-81.6-176.8172.3174.2-1.9107.5
599N28.1Very low35.1Very low136 Ų136107 Ų10773%0.72767%0.67SS**SBendtrans-140.6106.1162.9-91.5-26.3000109.3D597 A601D597-N599 VanDerWaalsContact C-N 3.25Å; D597-N599 PolarHBondContact O-N 2.76Å; N599-A601 PolarHBondContact O-N 3.37Å
600T30.5Very low37.4Very low136 Ų136102.1 Ų102.183%0.83464%0.636SS**  trans35.577.9158.850.90000116.6A602T600-A602 VanDerWaalsContact C-N 3.26Å; T600-A602 PolarHBondContact O-N 2.78Å
601A28.5Very low40.3Very low106 Ų10697.2 Ų97.288%0.87660%0.602SS**  trans-7086.6159.700000109.1N599 S603N599-A601 PolarHBondContact O-N 3.37Å; A601-S603 PolarHBondContact O-N 3.45Å; A601-S603 VanDerWaalsContact O-N 3.14Å
602A34.7Very low43.5Very low74 Ų7491.5 Ų91.561%0.61256%0.562SS**  trans-69104.1162.800000107.6T600 S604T600-A602 VanDerWaalsContact C-N 3.26Å; T600-A602 PolarHBondContact O-N 2.78Å; A602-S604 PolarHBondContact O-N 3.35Å; A602-S604 VanDerWaalsContact O-N 3.08Å
603S31.8Very low46.6Very low57 Ų5785.6 Ų85.640%0.39952%0.524SS..  trans-53114174.5167.30000109.8A601 E607A601-S603 PolarHBondContact O-N 3.45Å; A601-S603 VanDerWaalsContact O-N 3.14Å; S603-E607 PolarHBondContact OG-OE2 2.86Å
604S40.4Very low49.9Very low71 Ų7178.2 Ų78.250%0.49748%0.484SS..  trans-69.2152.8169.882.50000109.3A602 A606A602-S604 PolarHBondContact O-N 3.35Å; A602-S604 VanDerWaalsContact O-N 3.08Å; S604-A606 PolarHBondContact O-N 3.27Å
605M51.1Low53.2Low15 Ų1571.8 Ų71.87%0.07444%0.442CS..G310 helixtrans-69.87.5-174.7-60.6-174120.100114.4M1 E6 L179 E607 H608 R612 E672M1-M605 HydrophobicContact CB-CE 3.72Å; M1-M605 HydrophobicContact CG-CE 4.06Å; M1-M605 HydrophobicContact CG-CG 4.41Å; M1-M605 HydrophobicContact SD-CE 4.41Å; E6-M605 HydrophobicContact CG-CB 4.49Å; E6-M605 HydrophobicContact CG-CG 4.05Å; E6-M605 HydrophobicContact CG-SD 3.64Å; E6-M605 WeakPolarHBondContact OE1-CB 3.21Å; E6-M605 WeakPolarHBondContact OE1-CG 3.41Å; E6-M605 PolarHBondContact OE1-N 2.85Å; L179-M605 HydrophobicContact CD2-SD 4.43Å; M605-E607 PolarHBondContact O-N 3.28Å; M605-H608 WeakPolarHBondContact O-CB 3.36Å; M605-H608 PolarHBondContact O-N 3.05Å; M605-R612 PolarHBondContact SD-NH2 2.89Å; M605-E672 WeakPolarHBondContact CE-OE1 3.38Å; M605-E672 WeakPolarHBondContact CE-OE2 3.4Å
606A43.3Very low56.5Low93 Ų9368.7 Ų68.777%0.76941%0.41SS*.G310 helixtrans-62.5-19.8171.900000113.1S604 H608S604-A606 PolarHBondContact O-N 3.27Å; A606-H608 VanDerWaalsContact C-N 3.33Å
607E46.9Very low59.9Low149 Ų14963.3 Ų63.370%0.69637%0.373SS*.G310 helixtrans-90.313.3172.2-67.9-173.9151.600113.9S603 M605 C609S603-E607 PolarHBondContact OG-OE2 2.86Å; M605-E607 PolarHBondContact O-N 3.28Å; E607-C609 PolarHBondContact O-N 3.04Å; E607-C609 VanDerWaalsContact O-N 3.1Å
608H56.6Low63.3Low20 Ų2056 Ų569%0.09333%0.333CS..  trans-60.4116178.2-169.260.6000110.9M605 A606 G610 R612 E672M605-H608 WeakPolarHBondContact O-CB 3.36Å; M605-H608 PolarHBondContact O-N 3.05Å; A606-H608 VanDerWaalsContact C-N 3.33Å; H608-G610 PolarHBondContact CD2-O 3.19Å; H608-G610 PolarHBondContact NE2-O 2.92Å; H608-R612 WeakPolarHBondContact NE2-CG 3.29Å; H608-E672 IonicContact CE1-OE2 2.96Å; H608-E672 PolarHBondContact CE1-OE2 2.93Å; H608-E672 IonicContact ND1-OE2 3.64Å; H608-E672 PolarHBondContact ND1-OE2 2.83Å; H608-E672 IonicContact NE2-OE2 2.77Å
609C60.9Low66.7Low69 Ų6944.7 Ų44.747%0.46629%0.292SS..  trans-957.4-177-80.50000113.7H219 E607 N670H219-C609 VanDerWaalsContact CD2-C 3.42Å; H219-C609 PolarHBondContact CD2-O 3.23Å; H219-C609 PolarHBondContact NE2-O 3.04Å; E607-C609 PolarHBondContact O-N 3.04Å; E607-C609 VanDerWaalsContact O-N 3.1Å; C609-N670 PolarHBondContact O-ND2 3.37Å
610G77.2Confident70.1Confident1 Ų138.2 Ų38.21%0.0126%0.258CS..SBendtrans-142.6176.2-17100000114.5H219 H608 N670H219-G610 WeakPolarHBondContact CB-O 3.47Å; H608-G610 PolarHBondContact CD2-O 3.19Å; H608-G610 PolarHBondContact NE2-O 2.92Å; G610-N670 WeakPolarHBondContact CA-ND2 3.41Å; G610-N670 WeakPolarHBondContact CA-O 3.18Å; G610-N670 PolarHBondContact N-ND2 2.66Å
611P90.9Very high73.3Confident4 Ų431.7 Ų31.73%0.02622%0.218CC..  trans-83.5157.2172.331.2-33.9000112.6H219 Q222 W671 E672H219-P611 HydrophobicContact CB-CB 4.47Å; Q222-P611 HydrophobicContact CB-CB 3.79Å; Q222-P611 HydrophobicContact CB-CG 4.44Å; P611-W671 HydrophobicContact CB-CD2 4.16Å; P611-W671 HydrophobicContact CB-CE3 3.94Å; P611-W671 HydrophobicContact CB-CH2 4Å; P611-W671 HydrophobicContact CB-CZ2 4.21Å; P611-W671 HydrophobicContact CB-CZ3 3.86Å; P611-W671 HydrophobicContact CG-CD2 3.49Å; P611-W671 VanDerWaalsContact CG-CD2 3.49Å; P611-W671 VanDerWaalsContact CG-CE2 3.44Å; P611-W671 HydrophobicContact CG-CE3 3.8Å; P611-W671 HydrophobicContact CG-CG 3.95Å; P611-W671 HydrophobicContact CG-CH2 4.07Å; P611-W671 HydrophobicContact CG-CZ2 3.77Å; P611-W671 HydrophobicContact CG-CZ3 4.08Å; P611-W671 WeakPolarHBondContact O-CA 3.21Å; P611-E672 PolarHBondContact O-N 3.1Å
612R93.3Very high76.7Confident2 Ų227 Ų271%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-103.5139.6174.1-63.4-175.3-169.3-82.4-12.9112.6E181 S223 L224 M605 H608 I614 E672E181-R612 WeakPolarHBondContact OE1-CD 3.3Å; E181-R612 IonicContact OE1-NE 2.82Å; E181-R612 PolarHBondContact OE1-NE 3.07Å; S223-R612 CarbonylContact C-O 3.37Å; S223-R612 VanDerWaalsContact CA-O 3.23Å; S223-R612 WeakPolarHBondContact CA-O 3.38Å; S223-R612 PolarHBondContact OG-N 2.89Å; S223-R612 VanDerWaalsContact OG-N 3.15Å; L224-R612 PolarHBondContact N-O 3.41Å; M605-R612 PolarHBondContact SD-NH2 2.89Å; H608-R612 WeakPolarHBondContact NE2-CG 3.29Å; R612-I614 HydrophobicContact CB-CG1 4.39Å; R612-E672 CarbonylContact C-O 3.58Å; R612-E672 WeakPolarHBondContact CA-O 3.38Å; R612-E672 IonicContact CZ-OE2 2.72Å; R612-E672 IonicContact NH1-OE1 3.41Å; R612-E672 PolarHBondContact NH1-OE1 3.32Å; R612-E672 IonicContact NH1-OE2 3.35Å; R612-E672 PolarHBondContact NH1-OE2 3.14Å; R612-E672 IonicContact NH2-OE2 2.79Å
613L96.6Very high79.7Confident0 Ų024 Ų240%015%0.152CC..EExtended strand (participates in β ladder)trans-103.5102.2161.3177.762.4000108.3L224 L226 M528 A531 I532 V615 W671 E672 V673 V674L224-L613 HydrophobicContact CB-CD1 3.86Å; L226-L613 HydrophobicContact CB-CD1 4.02Å; M528-L613 HydrophobicContact CB-CD2 3.78Å; M528-L613 HydrophobicContact CG-CD2 3.84Å; A531-L613 HydrophobicContact CB-CD1 4.28Å; A531-L613 HydrophobicContact CB-CD2 4.42Å; I532-L613 HydrophobicContact CD1-CD2 4.31Å; I532-L613 HydrophobicContact CG1-CD2 4.05Å; L613-V615 HydrophobicContact CD1-CG2 4.4Å; L613-V615 HydrophobicContact CD2-CG2 4.1Å; L613-V615 HydrophobicContact CG-CG2 3.81Å; L613-W671 HydrophobicContact CB-CE3 3.96Å; L613-W671 HydrophobicContact CB-CZ3 4.32Å; L613-E672 PolarHBondContact N-O 3.34Å; L613-V673 WeakPolarHBondContact O-CA 3.4Å; L613-V674 PolarHBondContact O-N 3.42Å
614I98.1Very high82.8Confident0 Ų021.4 Ų21.40%013%0.134CC..EExtended strand (participates in β ladder)trans-87.2118.6172.7-54.4172.1000107Y140 L179 E181 P183 L224 L225 L226 R612 V674Y140-I614 HydrophobicContact CE1-CG2 4.23Å; L179-I614 HydrophobicContact CD1-CD1 3.95Å; L179-I614 HydrophobicContact CD1-CG1 4.28Å; E181-I614 HydrophobicContact CB-CD1 4.23Å; E181-I614 HydrophobicContact CG-CD1 4.29Å; P183-I614 HydrophobicContact CG-CD1 4.39Å; L224-I614 PolarHBondContact O-N 3.07Å; L225-I614 CarbonylContact C-O 3.56Å; L225-I614 WeakPolarHBondContact CA-O 3.15Å; L225-I614 HydrophobicContact CD1-CB 3.97Å; L225-I614 HydrophobicContact CD1-CG2 3.7Å; L226-I614 PolarHBondContact N-O 3.19Å; R612-I614 HydrophobicContact CB-CG1 4.39Å; I614-V674 CarbonylContact C-O 3.56Å; I614-V674 WeakPolarHBondContact CA-O 3.35Å
615V98.8Very high85.6Confident0 Ų018 Ų180%011%0.11CC..EExtended strand (participates in β ladder)trans-108.6126.4-179.7-176.30000108.9Y140 L226 I524 M528 L613 V617 V673 V674 L675 G676Y140-V615 PolarHBondContact OH-O 3.49Å; L226-V615 HydrophobicContact CD2-CG1 4.42Å; L226-V615 HydrophobicContact CD2-CG2 4.39Å; I524-V615 HydrophobicContact CD1-CG1 4.09Å; I524-V615 HydrophobicContact CG1-CG1 4.28Å; M528-V615 HydrophobicContact CG-CG2 3.97Å; M528-V615 HydrophobicContact SD-CG2 3.87Å; L613-V615 HydrophobicContact CD1-CG2 4.4Å; L613-V615 HydrophobicContact CD2-CG2 4.1Å; L613-V615 HydrophobicContact CG-CG2 3.81Å; V615-V617 HydrophobicContact CG1-CG2 4.29Å; V615-V673 HydrophobicContact CG2-CG1 4.22Å; V615-V674 PolarHBondContact N-O 2.92Å; V615-L675 HydrophobicContact CB-CB 4.43Å; V615-L675 HydrophobicContact CB-CD1 4.44Å; V615-L675 HydrophobicContact CB-CG 4.22Å; V615-L675 HydrophobicContact CG1-CD1 4.38Å; V615-L675 HydrophobicContact CG1-CG 4.41Å; V615-G676 PolarHBondContact O-N 3.13Å
616F98.9Very high87.8Confident0 Ų017.3 Ų17.30%011%0.107CC..EExtended strand (participates in β ladder)trans-121.1119.8176.2-175.3-113.7000111.3Y140 L142 I168 L172 L196 L225 L226 V228 V618 G676 G677 T678Y140-F616 AromaticContact CE2-CD2 3.96Å; Y140-F616 HydrophobicContact CE2-CD2 3.96Å; Y140-F616 HydrophobicContact CE2-CE2 4.44Å; L142-F616 HydrophobicContact CD1-CD2 4.44Å; L142-F616 HydrophobicContact CD1-CE1 4.49Å; L142-F616 HydrophobicContact CD1-CE2 3.34Å; L142-F616 HydrophobicContact CD1-CZ 3.38Å; L142-F616 HydrophobicContact CG-CE2 3.75Å; L142-F616 HydrophobicContact CG-CZ 4.23Å; I168-F616 HydrophobicContact CG2-CE1 3.64Å; I168-F616 HydrophobicContact CG2-CZ 3.61Å; L172-F616 HydrophobicContact CD1-CB 3.92Å; L172-F616 HydrophobicContact CD1-CD1 4.46Å; L172-F616 HydrophobicContact CD1-CD2 3.79Å; L172-F616 HydrophobicContact CD1-CE2 4.45Å; L172-F616 HydrophobicContact CD1-CG 3.79Å; L172-F616 HydrophobicContact CD2-CB 3.95Å; L172-F616 HydrophobicContact CD2-CD1 3.5Å; L172-F616 HydrophobicContact CD2-CD2 4.31Å; L172-F616 HydrophobicContact CD2-CE1 4.03Å; L172-F616 HydrophobicContact CD2-CG 3.64Å; L172-F616 HydrophobicContact CG-CG 4.35Å; L196-F616 HydrophobicContact CD2-CD1 4.1Å; L196-F616 HydrophobicContact CD2-CE1 3.81Å; L225-F616 HydrophobicContact CD1-CB 4.35Å; L226-F616 PolarHBondContact O-N 3.33Å; V228-F616 PolarHBondContact N-O 3.5Å; F616-V618 HydrophobicContact CD1-CG2 3.98Å; F616-V618 HydrophobicContact CE1-CG2 3.61Å; F616-G676 WeakPolarHBondContact CA-O 3.31Å; F616-G677 VanDerWaalsContact CE2-C 3.4Å; F616-G677 VanDerWaalsContact CE2-CA 3.48Å; F616-T678 HydrophobicContact CZ-CG2 3.93Å
617V98.8Very high90.4Very high0 Ų014.1 Ų14.10%08%0.075CC..EExtended strand (participates in β ladder)trans-106.5108.4179.6-170.20000110.8V228 R230 V615 G620 F621 G676 G677 T678V228-V617 HydrophobicContact CG2-CB 4.26Å; V228-V617 HydrophobicContact CG2-CG1 4.23Å; V228-V617 HydrophobicContact CG2-CG2 3.84Å; V228-V617 WeakPolarHBondContact O-CA 3.1Å; R230-V617 VanDerWaalsContact NH1-CG1 3.31Å; V615-V617 HydrophobicContact CG1-CG2 4.29Å; V617-G620 WeakPolarHBondContact CG1-O 3.36Å; V617-G620 PolarHBondContact O-N 3.44Å; V617-F621 HydrophobicContact CB-CB 4.19Å; V617-F621 HydrophobicContact CG2-CB 4.14Å; V617-G676 PolarHBondContact N-O 3.33Å; V617-G677 WeakPolarHBondContact O-CA 3.49Å; V617-T678 PolarHBondContact O-N 2.78Å
618V98.6Very high92.8Very high0 Ų07 Ų70%04%0.042CC..EExtended strand (participates in β ladder)trans-73.8129.1172.3-167.90000109.7Y151 L196 I227 V228 D229 R230 F616 T678Y151-V618 HydrophobicContact CD1-CB 4.26Å; Y151-V618 HydrophobicContact CD1-CG1 3.45Å; Y151-V618 VanDerWaalsContact CD1-CG1 3.45Å; Y151-V618 HydrophobicContact CD2-CG1 3.74Å; Y151-V618 HydrophobicContact CE1-CB 4.06Å; Y151-V618 HydrophobicContact CE1-CG1 3.64Å; Y151-V618 HydrophobicContact CE1-CG2 4.22Å; Y151-V618 HydrophobicContact CE2-CG1 3.94Å; Y151-V618 HydrophobicContact CE2-CG2 4.47Å; Y151-V618 HydrophobicContact CG-CG1 3.47Å; Y151-V618 VanDerWaalsContact CG-CG1 3.47Å; L196-V618 HydrophobicContact CD2-CG2 3.72Å; I227-V618 HydrophobicContact CG2-CG2 4.47Å; V228-V618 PolarHBondContact O-N 3.33Å; D229-V618 CarbonylContact C-O 3.52Å; D229-V618 WeakPolarHBondContact CA-O 3.45Å; D229-V618 HydrophobicContact CB-CB 3.98Å; R230-V618 PolarHBondContact N-O 3.16Å; F616-V618 HydrophobicContact CD1-CG2 3.98Å; F616-V618 HydrophobicContact CE1-CG2 3.61Å; V618-T678 HydrophobicContact CG1-CG2 4.21Å
619G97.8Very high94.8Very high5 Ų56.2 Ų6.25%0.0524%0.039CC..THydrogen-bonded Turntrans96.4-1.5-171.900000113.6T678G619-T678 PolarHBondContact N-OG1 3.45Å; G619-T678 VanDerWaalsContact N-OG1 3.12Å
620G98.3Very high96.4Very high0 Ų04.2 Ų4.20%02%0.022CC..  trans96.3161.1174.300000113.6R230 V617 T678 H679 L681R230-G620 PolarHBondContact NH1-O 3.32Å; V617-G620 WeakPolarHBondContact CG1-O 3.36Å; V617-G620 PolarHBondContact O-N 3.44Å; G620-T678 PolarHBondContact N-OG1 3.13Å; G620-H679 WeakPolarHBondContact CA-O 3.38Å; G620-L681 VanDerWaalsContact C-CD1 3.47Å; G620-L681 WeakPolarHBondContact O-CD1 3.2Å
621F98.6Very high97.2Very high0 Ų07.1 Ų7.10%04%0.035CC..EExtended strand (participates in β ladder)trans-124.5153.1-177.570.9-83.4000111L135 L139 Y140 V617 E625 A626 L675 H679 L680 L681L135-F621 HydrophobicContact CD1-CE1 4.49Å; L135-F621 HydrophobicContact CD1-CZ 3.89Å; L139-F621 HydrophobicContact CD1-CE2 4.31Å; L139-F621 HydrophobicContact CD2-CE2 4.28Å; Y140-F621 VanDerWaalsContact O-CE1 3.3Å; Y140-F621 WeakPolarHBondContact O-CE1 3.13Å; V617-F621 HydrophobicContact CB-CB 4.19Å; V617-F621 HydrophobicContact CG2-CB 4.14Å; F621-E625 VanDerWaalsContact CA-OE2 3.25Å; F621-E625 WeakPolarHBondContact CA-OE2 3.27Å; F621-A626 HydrophobicContact CD2-CB 4.43Å; F621-A626 HydrophobicContact CE2-CB 4.3Å; F621-L675 HydrophobicContact CB-CD2 3.82Å; F621-L675 HydrophobicContact CD1-CD2 4.39Å; F621-L675 HydrophobicContact CD2-CD2 3.31Å; F621-L675 HydrophobicContact CE2-CD2 3.92Å; F621-L675 HydrophobicContact CG-CD2 3.58Å; F621-H679 WeakPolarHBondContact CD1-O 3.3Å; F621-H679 PolarHBondContact N-O 3.29Å; F621-H679 VanDerWaalsContact N-O 3.13Å; F621-L680 HydrophobicContact CD2-CD1 4.09Å; F621-L680 HydrophobicContact CE2-CD1 3.53Å; F621-L680 HydrophobicContact CZ-CB 4.45Å; F621-L680 HydrophobicContact CZ-CD1 3.8Å; F621-L681 WeakPolarHBondContact O-CB 3.09Å; F621-L681 PolarHBondContact O-N 2.92Å
622T98.6Very high97.4Very high7 Ų77 Ų74%0.0433%0.034CC..EExtended strand (participates in β ladder)trans-98165.9-179.773.60000112.6T236 P237 S624 E625 A626 L681T236-T622 HydrophobicContact CG2-CG2 4.07Å; T236-T622 WeakPolarHBondContact CG2-OG1 3.36Å; P237-T622 HydrophobicContact CB-CG2 3.94Å; P237-T622 HydrophobicContact CG-CG2 3.81Å; T622-S624 VanDerWaalsContact C-N 3.28Å; T622-S624 PolarHBondContact O-N 3.08Å; T622-S624 PolarHBondContact OG1-N 2.79Å; T622-S624 PolarHBondContact OG1-OG 2.82Å; T622-E625 PolarHBondContact N-OE2 2.63Å; T622-E625 WeakPolarHBondContact O-CB 3.4Å; T622-E625 PolarHBondContact O-N 3.38Å; T622-E625 WeakPolarHBondContact OG1-CG 3.38Å; T622-E625 PolarHBondContact OG1-N 3.38Å; T622-A626 PolarHBondContact O-N 3.4Å; T622-L681 HydrophobicContact CG2-CB 4.16Å; T622-L681 HydrophobicContact CG2-CD1 4.48Å
623L97.9Very high97.4Very high10 Ų107.5 Ų7.55%0.0524%0.037CC..Hα-helixtrans-67.6-26.9171.8-69.9166.4000113.2Q245 A246 Y249 R627 L680Q245-L623 HydrophobicContact CG-CD1 3.99Å; Q245-L623 HydrophobicContact CG-CD2 4.03Å; Q245-L623 HydrophobicContact CG-CG 4.49Å; A246-L623 HydrophobicContact CB-CB 3.77Å; Y249-L623 HydrophobicContact CD1-CD1 3.76Å; Y249-L623 HydrophobicContact CD2-CD1 3.84Å; Y249-L623 HydrophobicContact CE1-CD1 4.4Å; Y249-L623 HydrophobicContact CE2-CD1 4.46Å; Y249-L623 HydrophobicContact CG-CD1 3.43Å; Y249-L623 VanDerWaalsContact CG-CD1 3.43Å; L623-R627 WeakPolarHBondContact O-CB 3.3Å; L623-R627 PolarHBondContact O-N 3.49Å; L623-L680 HydrophobicContact CD2-CD1 3.94Å; L623-L680 HydrophobicContact CD2-CD2 4.38Å; L623-L680 HydrophobicContact CG-CD1 4.05Å
624S98.2Very high97.1Very high4 Ų413 Ų133%0.0286%0.063CC..Hα-helixtrans-70.5-36.3172.254.90000111.9T236 T622 V628T236-S624 WeakPolarHBondContact CG2-OG 3.4Å; T622-S624 VanDerWaalsContact C-N 3.28Å; T622-S624 PolarHBondContact O-N 3.08Å; T622-S624 PolarHBondContact OG1-N 2.79Å; T622-S624 PolarHBondContact OG1-OG 2.82Å; S624-V628 PolarHBondContact O-N 3.06Å
625E98.7Very high96.8Very high0 Ų018.2 Ų18.20%08%0.083CC..Hα-helixtrans-67.4-43.5171.5-69.4178.2140.600111.6R230 T236 P522 I524 F621 T622 R627 V628 G629 L675R230-E625 IonicContact CZ-OE1 3.09Å; R230-E625 VanDerWaalsContact NH1-CD 3.25Å; R230-E625 IonicContact NH1-OE1 2.81Å; R230-E625 PolarHBondContact NH1-OE1 3.37Å; R230-E625 IonicContact NH1-OE2 3.46Å; R230-E625 PolarHBondContact NH1-OE2 2.94Å; R230-E625 IonicContact NH2-OE1 3.86Å; R230-E625 PolarHBondContact NH2-OE1 2.96Å; T236-E625 HydrophobicContact CG2-CG 3.92Å; P522-E625 HydrophobicContact CB-CG 3.9Å; P522-E625 HydrophobicContact CG-CG 4.47Å; I524-E625 HydrophobicContact CG2-CB 3.92Å; I524-E625 HydrophobicContact CG2-CG 3.68Å; F621-E625 VanDerWaalsContact CA-OE2 3.25Å; F621-E625 WeakPolarHBondContact CA-OE2 3.27Å; T622-E625 PolarHBondContact N-OE2 2.63Å; T622-E625 WeakPolarHBondContact O-CB 3.4Å; T622-E625 PolarHBondContact O-N 3.38Å; T622-E625 WeakPolarHBondContact OG1-CG 3.38Å; T622-E625 PolarHBondContact OG1-N 3.38Å; E625-R627 PolarHBondContact O-N 3Å; E625-V628 WeakPolarHBondContact O-CG2 3.41Å; E625-V628 PolarHBondContact O-N 3.24Å; E625-G629 PolarHBondContact O-N 3.14Å; E625-L675 HydrophobicContact CB-CD1 4.5Å
626A97.7Very high96.3Very high0 Ų018.2 Ų18.20%08%0.083CC..Hα-helixtrans-56.8-48.9173.100000111.9L139 F621 T622 V628 G629 Y630L139-A626 HydrophobicContact CD1-CB 3.58Å; L139-A626 HydrophobicContact CD2-CB 3.57Å; L139-A626 HydrophobicContact CG-CB 4.22Å; F621-A626 HydrophobicContact CD2-CB 4.43Å; F621-A626 HydrophobicContact CE2-CB 4.3Å; T622-A626 PolarHBondContact O-N 3.4Å; A626-V628 VanDerWaalsContact C-N 3.32Å; A626-V628 PolarHBondContact O-N 2.97Å; A626-G629 WeakPolarHBondContact O-CA 3.49Å; A626-G629 PolarHBondContact O-N 3.28Å; A626-Y630 WeakPolarHBondContact O-CD2 3.12Å; A626-Y630 PolarHBondContact O-N 3.36Å; A626-Y630 VanDerWaalsContact O-N 3.13Å
627R97.9Very high95.7Very high25 Ų2520.2 Ų20.29%0.09410%0.095CC..Hα-helixtrans-52.8-47.6178.3179.6-165.266.6-167.9-9.9112.1E241 H281 L623 E625 G629 Y630 Q631E241-R627 IonicContact OE1-CZ 3.89Å; E241-R627 IonicContact OE1-NH1 3.67Å; E241-R627 PolarHBondContact OE1-NH1 3.18Å; E241-R627 IonicContact OE1-NH2 3.14Å; E241-R627 PolarHBondContact OE1-NH2 3.41Å; H281-R627 HydrophobicContact CB-CG 3.94Å; L623-R627 WeakPolarHBondContact O-CB 3.3Å; L623-R627 PolarHBondContact O-N 3.49Å; E625-R627 PolarHBondContact O-N 3Å; R627-G629 VanDerWaalsContact C-N 3.26Å; R627-G629 PolarHBondContact O-N 3.02Å; R627-Y630 PolarHBondContact O-N 3.46Å; R627-Q631 HydrophobicContact CG-CG 4.48Å; R627-Q631 WeakPolarHBondContact O-CG 3.49Å; R627-Q631 PolarHBondContact O-N 2.83Å
628V97.5Very high95.1Very high0 Ų024.9 Ų24.90%012%0.117CC..Hα-helixtrans-68.4-27.5-178.4-640000112.3T521 P522 I524 L525 M528 S624 E625 A626 L632T521-V628 HydrophobicContact CG2-CG1 4.43Å; P522-V628 HydrophobicContact CB-CG2 4.36Å; P522-V628 HydrophobicContact CG-CG1 4.36Å; I524-V628 HydrophobicContact CG2-CG2 3.96Å; L525-V628 HydrophobicContact CB-CB 4.06Å; L525-V628 HydrophobicContact CB-CG1 4.41Å; L525-V628 HydrophobicContact CB-CG2 4.05Å; L525-V628 HydrophobicContact CD1-CB 4.17Å; L525-V628 HydrophobicContact CD2-CB 4.21Å; L525-V628 HydrophobicContact CD2-CG1 4.15Å; L525-V628 HydrophobicContact CG-CB 4.35Å; M528-V628 HydrophobicContact CE-CG2 3.84Å; S624-V628 PolarHBondContact O-N 3.06Å; E625-V628 WeakPolarHBondContact O-CG2 3.41Å; E625-V628 PolarHBondContact O-N 3.24Å; A626-V628 VanDerWaalsContact C-N 3.32Å; A626-V628 PolarHBondContact O-N 2.97Å; V628-L632 WeakPolarHBondContact O-CB 3.42Å; V628-L632 PolarHBondContact O-N 3.06Å
629G96.9Very high94.5Very high3 Ų328 Ų283%0.03114%0.136CC..Hα-helixtrans-64.2-44.6169.900000113E625 A626 R627 L632 T633E625-G629 PolarHBondContact O-N 3.14Å; A626-G629 WeakPolarHBondContact O-CA 3.49Å; A626-G629 PolarHBondContact O-N 3.28Å; R627-G629 VanDerWaalsContact C-N 3.26Å; R627-G629 PolarHBondContact O-N 3.02Å; G629-L632 PolarHBondContact O-N 3.07Å; G629-T633 PolarHBondContact O-N 3.18Å; G629-T633 VanDerWaalsContact O-N 3.07Å; G629-T633 PolarHBondContact O-OG1 3.21Å; G629-T633 VanDerWaalsContact O-OG1 3.06Å
630Y95.7Very high93.6Very high28 Ų2831.8 Ų31.811%0.1115%0.148CC..Hα-helixtrans-62.4-47.2173.5-80.3-80000112.4E136 H138 L139 R280 H281 A626 R627 L632 T633 Q634E136-Y630 WeakPolarHBondContact CB-OH 3.5Å; E136-Y630 WeakPolarHBondContact OE2-CE2 3.44Å; E136-Y630 PolarHBondContact OE2-OH 2.93Å; H138-Y630 HydrophobicContact CB-CD1 4.36Å; H138-Y630 HydrophobicContact CB-CE1 3.72Å; H138-Y630 HydrophobicContact CB-CE2 4.36Å; H138-Y630 AromaticContact CD2-CE1 3.38Å; H138-Y630 WeakPolarHBondContact CD2-CE1 3.42Å; H138-Y630 AromaticContact CG-CE1 3.78Å; H138-Y630 PolarHBondContact N-OH 2.75Å; L139-Y630 HydrophobicContact CD1-CE2 4.11Å; L139-Y630 HydrophobicContact CD2-CE2 4.16Å; L139-Y630 HydrophobicContact CG-CE2 3.87Å; R280-Y630 VanDerWaalsContact NH2-CE1 3.26Å; R280-Y630 PolarHBondContact NH2-OH 3.01Å; H281-Y630 AromaticContact CD2-CG 3.99Å; H281-Y630 AromaticContact CE1-CD2 3.74Å; H281-Y630 AromaticContact NE2-CD2 3.2Å; H281-Y630 WeakPolarHBondContact NE2-CD2 3.45Å; H281-Y630 AromaticContact NE2-CE2 3.61Å; H281-Y630 AromaticContact NE2-CG 3.47Å; A626-Y630 WeakPolarHBondContact O-CD2 3.12Å; A626-Y630 PolarHBondContact O-N 3.36Å; A626-Y630 VanDerWaalsContact O-N 3.13Å; R627-Y630 PolarHBondContact O-N 3.46Å; Y630-L632 VanDerWaalsContact C-N 3.28Å; Y630-L632 PolarHBondContact O-N 3.12Å; Y630-T633 WeakPolarHBondContact O-CB 3.24Å; Y630-T633 PolarHBondContact O-N 3.1Å; Y630-Q634 PolarHBondContact O-N 3.08Å
631Q94.7Very high92.9Very high61 Ų6136 Ų3629%0.28517%0.171SC..Hα-helixtrans-58.6-41.6178.1-71.8174.1-10.900111.7R627 Q634 R635R627-Q631 HydrophobicContact CG-CG 4.48Å; R627-Q631 WeakPolarHBondContact O-CG 3.49Å; R627-Q631 PolarHBondContact O-N 2.83Å; Q631-Q634 PolarHBondContact O-N 3.35Å; Q631-R635 VanDerWaalsContact O-CG 3.3Å; Q631-R635 WeakPolarHBondContact O-CG 3.36Å; Q631-R635 PolarHBondContact O-N 3.07Å
632L94.2Very high92.1Very high1 Ų138.4 Ų38.41%0.00519%0.191CC..Hα-helixtrans-66.5-40.9178.8-172.656.1000112L525 M528 E529 I532 V628 G629 Y630 R635 C636 W669 V673L525-L632 HydrophobicContact CD1-CB 4.34Å; L525-L632 HydrophobicContact CD1-CD2 4.17Å; M528-L632 HydrophobicContact CB-CD2 3.53Å; M528-L632 HydrophobicContact CE-CD2 4.43Å; M528-L632 HydrophobicContact SD-CD2 4.47Å; E529-L632 HydrophobicContact CG-CD1 3.9Å; E529-L632 HydrophobicContact CG-CD2 4.35Å; I532-L632 HydrophobicContact CD1-CD1 4.28Å; I532-L632 HydrophobicContact CD1-CD2 3.62Å; I532-L632 HydrophobicContact CD1-CG 3.88Å; V628-L632 WeakPolarHBondContact O-CB 3.42Å; V628-L632 PolarHBondContact O-N 3.06Å; G629-L632 PolarHBondContact O-N 3.07Å; Y630-L632 VanDerWaalsContact C-N 3.28Å; Y630-L632 PolarHBondContact O-N 3.12Å; L632-R635 PolarHBondContact O-N 3.37Å; L632-C636 PolarHBondContact O-N 3.28Å; L632-C636 VanDerWaalsContact O-N 3.08Å; L632-C636 PolarHBondContact O-SG 3.14Å; L632-W669 HydrophobicContact CD1-CZ3 4.32Å; L632-V673 HydrophobicContact CB-CG2 4.23Å; L632-V673 HydrophobicContact CD2-CG2 4.02Å; L632-V673 HydrophobicContact CG-CG2 4.15Å
633T93.1Very high91.1Very high13 Ų1340.7 Ų40.78%0.0821%0.21CC..Hα-helixtrans-60.5-47.3173.3-60.60000111.1G629 Y630 R635 C636 V637 E672 V673G629-T633 PolarHBondContact O-N 3.18Å; G629-T633 VanDerWaalsContact O-N 3.07Å; G629-T633 PolarHBondContact O-OG1 3.21Å; G629-T633 VanDerWaalsContact O-OG1 3.06Å; Y630-T633 WeakPolarHBondContact O-CB 3.24Å; Y630-T633 PolarHBondContact O-N 3.1Å; T633-R635 PolarHBondContact O-N 3.34Å; T633-C636 WeakPolarHBondContact O-CB 3.13Å; T633-C636 PolarHBondContact O-N 2.9Å; T633-V637 WeakPolarHBondContact O-CG2 3.27Å; T633-V637 PolarHBondContact O-N 3.14Å; T633-E672 HydrophobicContact CG2-CG 4.05Å; T633-V673 WeakPolarHBondContact OG1-CB 3.2Å; T633-V673 PolarHBondContact OG1-N 3.42Å
634Q91.3Very high89.9Confident116 Ų11648.9 Ų48.954%0.54224%0.24SC..Hα-helixtrans-61.1-46178.7-177.7176.6-7.500111.9Y630 Q631 C636 V637 E638Y630-Q634 PolarHBondContact O-N 3.08Å; Q631-Q634 PolarHBondContact O-N 3.35Å; Q634-C636 VanDerWaalsContact C-N 3.27Å; Q634-C636 PolarHBondContact O-N 3.31Å; Q634-V637 WeakPolarHBondContact O-CB 3.48Å; Q634-V637 PolarHBondContact O-N 2.93Å; Q634-V637 VanDerWaalsContact O-N 3.1Å; Q634-E638 HydrophobicContact CG-CG 4.43Å; Q634-E638 WeakPolarHBondContact CG-OE1 3.22Å; Q634-E638 PolarHBondContact NE2-OE1 2.74Å; Q634-E638 WeakPolarHBondContact O-CG 3.47Å; Q634-E638 PolarHBondContact O-N 3.13Å
635R90.9Very high88.7Confident109 Ų10953.2 Ų53.241%0.41126%0.263SS..Hα-helixtrans-58-39.1175.7-74.3176.1-173170.54.6112.4E529 Q631 L632 T633 T639E529-R635 IonicContact OE1-NH1 3.31Å; Q631-R635 VanDerWaalsContact O-CG 3.3Å; Q631-R635 WeakPolarHBondContact O-CG 3.36Å; Q631-R635 PolarHBondContact O-N 3.07Å; L632-R635 PolarHBondContact O-N 3.37Å; T633-R635 PolarHBondContact O-N 3.34Å; R635-T639 WeakPolarHBondContact O-CB 3.2Å; R635-T639 PolarHBondContact O-N 3.15Å; R635-T639 PolarHBondContact O-OG1 3.23Å
636C88.6Confident87.2Confident0 Ų060.3 Ų60.30%029%0.294CS..Hα-helixtrans-63.5-47.9174.7-68.30000111L632 T633 Q634 E638 T639 R640 W669 W671L632-C636 PolarHBondContact O-N 3.28Å; L632-C636 VanDerWaalsContact O-N 3.08Å; L632-C636 PolarHBondContact O-SG 3.14Å; T633-C636 WeakPolarHBondContact O-CB 3.13Å; T633-C636 PolarHBondContact O-N 2.9Å; Q634-C636 VanDerWaalsContact C-N 3.27Å; Q634-C636 PolarHBondContact O-N 3.31Å; C636-E638 PolarHBondContact O-N 3.21Å; C636-T639 PolarHBondContact O-N 2.9Å; C636-R640 PolarHBondContact O-N 3.31Å; C636-W669 CarbonylContact C-O 3.59Å; C636-W669 WeakPolarHBondContact CA-O 3.45Å; C636-W669 VanDerWaalsContact CB-O 3.28Å; C636-W669 WeakPolarHBondContact CB-O 3.13Å; C636-W671 VanDerWaalsContact CB-O 3.31Å; C636-W671 WeakPolarHBondContact CB-O 3.45Å
637V85.5Confident85.4Confident42 Ų4265.9 Ų65.926%0.25532%0.324SS..Hα-helixtrans-57.8-48177.7172.80000111.7T633 Q634 R640 L641T633-V637 WeakPolarHBondContact O-CG2 3.27Å; T633-V637 PolarHBondContact O-N 3.14Å; Q634-V637 WeakPolarHBondContact O-CB 3.48Å; Q634-V637 PolarHBondContact O-N 2.93Å; Q634-V637 VanDerWaalsContact O-N 3.1Å; V637-R640 WeakPolarHBondContact O-CB 3.28Å; V637-R640 PolarHBondContact O-N 3.24Å; V637-L641 HydrophobicContact CG1-CD1 4.09Å; V637-L641 HydrophobicContact CG1-CG 4.49Å; V637-L641 WeakPolarHBondContact O-CG 3.4Å; V637-L641 PolarHBondContact O-N 3.14Å
638E86.9Confident83.3Confident99 Ų9968.5 Ų68.546%0.46334%0.343SS..Hα-helixtrans-61-45.2178.2-71.5169.4-175.800111.7Q634 C636 R640 L641 A642Q634-E638 HydrophobicContact CG-CG 4.43Å; Q634-E638 WeakPolarHBondContact CG-OE1 3.22Å; Q634-E638 PolarHBondContact NE2-OE1 2.74Å; Q634-E638 WeakPolarHBondContact O-CG 3.47Å; Q634-E638 PolarHBondContact O-N 3.13Å; C636-E638 PolarHBondContact O-N 3.21Å; E638-R640 VanDerWaalsContact C-N 3.3Å; E638-R640 PolarHBondContact O-N 3.15Å; E638-L641 PolarHBondContact O-N 3.26Å; E638-A642 WeakPolarHBondContact O-CB 3.34Å; E638-A642 PolarHBondContact O-N 3.34Å
639T84.9Confident81Confident66 Ų6674.5 Ų74.541%0.40538%0.375SS..Hα-helixtrans-60.8-40.3177.7-57.60000111.5R635 C636 A643 W669R635-T639 WeakPolarHBondContact O-CB 3.2Å; R635-T639 PolarHBondContact O-N 3.15Å; R635-T639 PolarHBondContact O-OG1 3.23Å; C636-T639 PolarHBondContact O-N 2.9Å; T639-A643 WeakPolarHBondContact O-CB 3.33Å; T639-A643 PolarHBondContact O-N 3.32Å; T639-A643 VanDerWaalsContact O-N 3.09Å; T639-W669 HydrophobicContact CG2-CB 3.8Å; T639-W669 HydrophobicContact CG2-CG 4.13Å
640R80.1Confident78.5Confident83 Ų8381.8 Ų81.831%0.31341%0.406SS..Hα-helixtrans-63.9-47.2174.9173.1-178.658.9157.6-0.1112.1C636 V637 E638 A642 A643 R644 N670C636-R640 PolarHBondContact O-N 3.31Å; V637-R640 WeakPolarHBondContact O-CB 3.28Å; V637-R640 PolarHBondContact O-N 3.24Å; E638-R640 VanDerWaalsContact C-N 3.3Å; E638-R640 PolarHBondContact O-N 3.15Å; R640-A642 VanDerWaalsContact C-N 3.35Å; R640-A643 PolarHBondContact O-N 3.26Å; R640-R644 PolarHBondContact O-N 2.97Å; R640-N670 VanDerWaalsContact CD-CG 3.46Å; R640-N670 WeakPolarHBondContact CD-OD1 3.37Å; R640-N670 PolarHBondContact NE-OD1 3.36Å; R640-N670 VanDerWaalsContact NE-OD1 3.14Å
641L82.2Confident76.1Confident89 Ų8987.1 Ų87.147%0.46644%0.435SS..Hα-helixtrans-61.4-46-179.3-69.2173.8000110.5V637 E638 A643 R644 D645V637-L641 HydrophobicContact CG1-CD1 4.09Å; V637-L641 HydrophobicContact CG1-CG 4.49Å; V637-L641 WeakPolarHBondContact O-CG 3.4Å; V637-L641 PolarHBondContact O-N 3.14Å; E638-L641 PolarHBondContact O-N 3.26Å; L641-A643 VanDerWaalsContact C-N 3.28Å; L641-A643 PolarHBondContact O-N 2.86Å; L641-R644 WeakPolarHBondContact O-CB 3.4Å; L641-R644 PolarHBondContact O-N 3.19Å; L641-D645 PolarHBondContact O-N 2.98Å; L641-D645 VanDerWaalsContact O-N 3.11Å
642A82.7Confident73.3Confident51 Ų5190.7 Ų90.742%0.42146%0.456SS..Hα-helixtrans-60.9-34.1176.100000113.3E638 R640 K646E638-A642 WeakPolarHBondContact O-CB 3.34Å; E638-A642 PolarHBondContact O-N 3.34Å; R640-A642 VanDerWaalsContact C-N 3.35Å; A642-K646 WeakPolarHBondContact O-CG 3.47Å; A642-K646 PolarHBondContact O-N 2.94Å
643A78.1Confident70.2Confident55 Ų5596 Ų9646%0.45549%0.488SS..Hα-helixtrans-70.7-34.3175.100000112.6T639 R640 L641 N647T639-A643 WeakPolarHBondContact O-CB 3.33Å; T639-A643 PolarHBondContact O-N 3.32Å; T639-A643 VanDerWaalsContact O-N 3.09Å; R640-A643 PolarHBondContact O-N 3.26Å; L641-A643 VanDerWaalsContact C-N 3.28Å; L641-A643 PolarHBondContact O-N 2.86Å; A643-N647 PolarHBondContact O-N 2.74Å
644R73.1Confident67.2Low181 Ų181101.3 Ų101.368%0.68352%0.523SS*.Hα-helixtrans-67.9-42.6177.7-165.2176.4-177.9170.40.3111.5R640 L641 K646 N647 T648R640-R644 PolarHBondContact O-N 2.97Å; L641-R644 WeakPolarHBondContact O-CB 3.4Å; L641-R644 PolarHBondContact O-N 3.19Å; R644-K646 VanDerWaalsContact C-N 3.3Å; R644-K646 PolarHBondContact O-N 2.76Å; R644-N647 PolarHBondContact O-N 3.04Å; R644-N647 VanDerWaalsContact O-N 3.1Å; R644-T648 PolarHBondContact O-N 2.72Å; R644-T648 VanDerWaalsContact O-N 3.14Å; R644-T648 PolarHBondContact O-OG1 2.87Å
645D73Confident64.4Low96 Ų96101.9 Ų101.951%0.51354%0.535SS..Hα-helixtrans-65.8-31.3179.1-66.6-20.5000112.8L641 N647 T648 N649L641-D645 PolarHBondContact O-N 2.98Å; L641-D645 VanDerWaalsContact O-N 3.11Å; D645-N647 VanDerWaalsContact C-N 3.33Å; D645-T648 WeakPolarHBondContact CA-OG1 3.39Å; D645-T648 PolarHBondContact O-OG1 2.77Å; D645-N649 PolarHBondContact O-N 2.77Å; D645-N649 PolarHBondContact O-ND2 3.24Å
646K67.2Low61.4Low148 Ų148103.4 Ų103.464%0.64356%0.556SS**Hα-helixtrans-69-30.9173.2-74.3179.7-179-179.90112.9A642 R644 K650A642-K646 WeakPolarHBondContact O-CG 3.47Å; A642-K646 PolarHBondContact O-N 2.94Å; R644-K646 VanDerWaalsContact C-N 3.3Å; R644-K646 PolarHBondContact O-N 2.76Å; K646-K650 PolarHBondContact O-N 3.2Å
647N57.9Low58.6Low118 Ų118112.2 Ų112.263%0.63160%0.598SS**Hα-helixtrans-79.6-31.8178-97.11.9000112.7A643 R644 D645A643-N647 PolarHBondContact O-N 2.74Å; R644-N647 PolarHBondContact O-N 3.04Å; R644-N647 VanDerWaalsContact O-N 3.1Å; D645-N647 VanDerWaalsContact C-N 3.33Å
648T54.9Low55.8Low80 Ų80118.6 Ų118.649%0.49163%0.63SS.*Hα-helixtrans-70.9-37.1174.847.40000112R644 D645 K650R644-T648 PolarHBondContact O-N 2.72Å; R644-T648 VanDerWaalsContact O-N 3.14Å; R644-T648 PolarHBondContact O-OG1 2.87Å; D645-T648 WeakPolarHBondContact CA-OG1 3.39Å; D645-T648 PolarHBondContact O-OG1 2.77Å; T648-K650 VanDerWaalsContact C-N 3.33Å; T648-K650 PolarHBondContact O-N 2.96Å
649N48.1Very low52.8Low126 Ų126120.2 Ų120.267%0.67464%0.641SS**Hα-helixtrans-74.5-17.7177.7-74.8-26.1000114.3D645 I651D645-N649 PolarHBondContact O-N 2.77Å; D645-N649 PolarHBondContact O-ND2 3.24Å; N649-I651 VanDerWaalsContact C-N 3.31Å; N649-I651 PolarHBondContact O-N 3.17Å
650K45.1Very low49.9Very low156 Ų156122.2 Ų122.268%0.67866%0.657SS**THydrogen-bonded Turntrans-80-3.3176.7-85.8-174175-174.50115.1K646 T648 N652K646-K650 PolarHBondContact O-N 3.2Å; T648-K650 VanDerWaalsContact C-N 3.33Å; T648-K650 PolarHBondContact O-N 2.96Å; K650-N652 VanDerWaalsContact C-N 3.26Å; K650-N652 PolarHBondContact O-N 3.17Å
651I45.9Very low47.3Very low139 Ų139124.3 Ų124.371%0.71368%0.679SS**THydrogen-bonded Turntrans-77.8-13.3176.6-64.5175.3000111.9N649N649-I651 VanDerWaalsContact C-N 3.31Å; N649-I651 PolarHBondContact O-N 3.17Å
652N35Very low44.7Very low136 Ų136127.5 Ų127.573%0.72770%0.696SS**SBendtrans-128.270.3177.8-69.8-26.7000112K650K650-N652 VanDerWaalsContact C-N 3.26Å; K650-N652 PolarHBondContact O-N 3.17Å
653T28.7Very low42Very low113 Ų113131.1 Ų131.169%0.69371%0.714SS**  trans164.7134.5147.131.60000111.1
654P30.2Very low39.5Very low125 Ų125131.4 Ų131.481%0.81272%0.723SS**  trans-97.692.6170.934.6-23.9000109.5
655T32.5Very low37.3Very low127 Ų127126.2 Ų126.278%0.77973%0.726SS**  trans-144.2125.2162.2380000112.4E657T655-E657 PolarHBondContact O-N 3.41Å
656T29.2Very low35.2Very low142 Ų142125.8 Ų125.887%0.87174%0.744SS**  trans-59.9108.7169.237.50000111.7
657E29.4Very low34.1Very low185 Ų185122.2 Ų122.286%0.86474%0.735SS**  trans-141.6138.7153.6-76.9-161.2157.800112T655 I659T655-E657 PolarHBondContact O-N 3.41Å; E657-I659 PolarHBondContact O-N 2.92Å
658N25.7Very low33.8Very low175 Ų175119.3 Ų119.394%0.93673%0.732SS**  trans-61.3110.8-174.4-72.7-45.5000111.9
659I25.7Very low34.2Very low133 Ų133120.7 Ų120.768%0.68273%0.728SS**  trans-99.9121.9162.6-65.2173.3000107.5E657 T661E657-I659 PolarHBondContact O-N 2.92Å; I659-T661 PolarHBondContact O-N 3.28Å
660S23.8Very low35.8Very low108 Ų108116 Ų11676%0.75570%0.704SS**  trans-43.9106.7170540000110.8I662S660-I662 PolarHBondContact O-N 3.4Å
661T25.1Very low38Very low127 Ų127109.2 Ų109.278%0.77967%0.674SS**  trans-61.1113.1168.3420000108.7I659 P663I659-T661 PolarHBondContact O-N 3.28Å; T661-P663 VanDerWaalsContact O-CD 3.27Å; T661-P663 WeakPolarHBondContact O-CD 3.4Å
662I27.4Very low40.2Very low157 Ų157102.9 Ų102.981%0.80564%0.641SS**  trans-56116.5156.5-61.8171.7000105.7S660 G664S660-I662 PolarHBondContact O-N 3.4Å; I662-G664 PolarHBondContact O-N 3.03Å
663P25.7Very low43.1Very low126 Ų12696.4 Ų96.482%0.81861%0.606SS**SBendtrans-77.6100.9-178.226.6-23.7000108.5T661T661-P663 VanDerWaalsContact O-CD 3.27Å; T661-P663 WeakPolarHBondContact O-CD 3.4Å
664G26.3Very low46.3Very low61 Ų6191.1 Ų91.163%0.62957%0.574SS**  trans16990.8176.300000110.2I662I662-G664 PolarHBondContact O-N 3.03Å
665G26.2Very low49.6Very low73 Ų7385.2 Ų85.275%0.75354%0.535SS*.  trans-58.4138.3-173.900000114.5V667G665-V667 PolarHBondContact O-N 3.36Å; G665-V667 VanDerWaalsContact O-N 3.13Å
666G30.2Very low52.7Low86 Ų8679.1 Ų79.189%0.88750%0.498SS*.SBend61.335.7128.300000118.7
667V42.2Very low56Low74 Ų7472.4 Ų72.445%0.44846%0.457SS..  trans-127.8101.6159-154.30000106.5G665 W669G665-V667 PolarHBondContact O-N 3.36Å; G665-V667 VanDerWaalsContact O-N 3.13Å; V667-W669 PolarHBondContact O-N 3.34Å
668G52.5Low59.3Low56 Ų5663.6 Ų63.658%0.57742%0.416SS*.  trans-60.5130.8-174.900000110.8N670G668-N670 PolarHBondContact O-N 3Å
669W63.8Low62.7Low109 Ų10955.7 Ų55.741%0.41337%0.373SS..SBendtrans-67.463171.7-69.185.5000110.6I532 L632 C636 T639 V667I532-W669 HydrophobicContact CG2-CE3 4.19Å; I532-W669 HydrophobicContact CG2-CZ3 4.17Å; L632-W669 HydrophobicContact CD1-CZ3 4.32Å; C636-W669 CarbonylContact C-O 3.59Å; C636-W669 WeakPolarHBondContact CA-O 3.45Å; C636-W669 VanDerWaalsContact CB-O 3.28Å; C636-W669 WeakPolarHBondContact CB-O 3.13Å; T639-W669 HydrophobicContact CG2-CB 3.8Å; T639-W669 HydrophobicContact CG2-CG 4.13Å; V667-W669 PolarHBondContact O-N 3.34Å
670N81.2Confident66.1Low29 Ų2951.1 Ų51.116%0.15535%0.35CS..  trans-11631.2174.6-166.125.7000111.2C609 G610 R640 G668C609-N670 PolarHBondContact O-ND2 3.37Å; G610-N670 WeakPolarHBondContact CA-ND2 3.41Å; G610-N670 WeakPolarHBondContact CA-O 3.18Å; G610-N670 PolarHBondContact N-ND2 2.66Å; R640-N670 VanDerWaalsContact CD-CG 3.46Å; R640-N670 WeakPolarHBondContact CD-OD1 3.37Å; R640-N670 PolarHBondContact NE-OD1 3.36Å; R640-N670 VanDerWaalsContact NE-OD1 3.14Å; G668-N670 PolarHBondContact O-N 3Å
671W91Very high69.6Low13 Ų1346.1 Ų46.15%0.04932%0.315CS..  trans-79143.6-176.4-70.877.1000111.2Q222 L224 I532 P611 L613 C636Q222-W671 VanDerWaalsContact O-CH2 3.25Å; Q222-W671 WeakPolarHBondContact O-CH2 3.28Å; L224-W671 HydrophobicContact CB-CZ3 4.37Å; L224-W671 HydrophobicContact CD1-CH2 3.77Å; L224-W671 HydrophobicContact CD1-CZ3 4.06Å; L224-W671 HydrophobicContact CG-CH2 3.88Å; L224-W671 HydrophobicContact CG-CZ3 4.02Å; I532-W671 HydrophobicContact CB-CD2 4.42Å; I532-W671 HydrophobicContact CB-CG 4.38Å; I532-W671 HydrophobicContact CD1-CB 3.83Å; I532-W671 HydrophobicContact CD1-CG 4.05Å; I532-W671 HydrophobicContact CG1-CB 4.12Å; I532-W671 HydrophobicContact CG1-CD2 3.83Å; I532-W671 HydrophobicContact CG1-CE3 4.19Å; I532-W671 HydrophobicContact CG1-CG 3.81Å; I532-W671 HydrophobicContact CG2-CD2 4.31Å; I532-W671 HydrophobicContact CG2-CG 3.9Å; P611-W671 HydrophobicContact CB-CD2 4.16Å; P611-W671 HydrophobicContact CB-CE3 3.94Å; P611-W671 HydrophobicContact CB-CH2 4Å; P611-W671 HydrophobicContact CB-CZ2 4.21Å; P611-W671 HydrophobicContact CB-CZ3 3.86Å; P611-W671 HydrophobicContact CG-CD2 3.49Å; P611-W671 VanDerWaalsContact CG-CD2 3.49Å; P611-W671 VanDerWaalsContact CG-CE2 3.44Å; P611-W671 HydrophobicContact CG-CE3 3.8Å; P611-W671 HydrophobicContact CG-CG 3.95Å; P611-W671 HydrophobicContact CG-CH2 4.07Å; P611-W671 HydrophobicContact CG-CZ2 3.77Å; P611-W671 HydrophobicContact CG-CZ3 4.08Å; P611-W671 WeakPolarHBondContact O-CA 3.21Å; L613-W671 HydrophobicContact CB-CE3 3.96Å; L613-W671 HydrophobicContact CB-CZ3 4.32Å; C636-W671 VanDerWaalsContact CB-O 3.31Å; C636-W671 WeakPolarHBondContact CB-O 3.45Å
672E92.1Very high73Confident5 Ų541 Ų412%0.02328%0.284CS..EExtended strand (participates in β ladder)trans-112.8126.6167.6-173.2-176.8162.500109.6H138 M605 H608 P611 R612 L613 T633H138-E672 IonicContact CE1-OE1 2.81Å; H138-E672 PolarHBondContact CE1-OE1 2.99Å; H138-E672 IonicContact ND1-OE1 3.19Å; H138-E672 PolarHBondContact ND1-OE1 3.18Å; M605-E672 WeakPolarHBondContact CE-OE1 3.38Å; M605-E672 WeakPolarHBondContact CE-OE2 3.4Å; H608-E672 IonicContact CE1-OE2 2.96Å; H608-E672 PolarHBondContact CE1-OE2 2.93Å; H608-E672 IonicContact ND1-OE2 3.64Å; H608-E672 PolarHBondContact ND1-OE2 2.83Å; H608-E672 IonicContact NE2-OE2 2.77Å; P611-E672 PolarHBondContact O-N 3.1Å; R612-E672 CarbonylContact C-O 3.58Å; R612-E672 WeakPolarHBondContact CA-O 3.38Å; R612-E672 IonicContact CZ-OE2 2.72Å; R612-E672 IonicContact NH1-OE1 3.41Å; R612-E672 PolarHBondContact NH1-OE1 3.32Å; R612-E672 IonicContact NH1-OE2 3.35Å; R612-E672 PolarHBondContact NH1-OE2 3.14Å; R612-E672 IonicContact NH2-OE2 2.79Å; L613-E672 PolarHBondContact N-O 3.34Å; T633-E672 HydrophobicContact CG2-CG 4.05Å
673V95.5Very high76.3Confident1 Ų134.2 Ų34.21%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-92.9130.1177-174.90000109H138 M528 L613 V615 L632 T633H138-V673 PolarHBondContact ND1-O 3.5Å; M528-V673 HydrophobicContact SD-CG1 3.74Å; L613-V673 WeakPolarHBondContact O-CA 3.4Å; V615-V673 HydrophobicContact CG2-CG1 4.22Å; L632-V673 HydrophobicContact CB-CG2 4.23Å; L632-V673 HydrophobicContact CD2-CG2 4.02Å; L632-V673 HydrophobicContact CG-CG2 4.15Å; T633-V673 WeakPolarHBondContact OG1-CB 3.2Å; T633-V673 PolarHBondContact OG1-N 3.42Å
674V97Very high79.7Confident1 Ų133.9 Ų33.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-121.1114.5168.1-177.80000106.7L3 H138 Y140 L179 L613 I614 V615L3-V674 HydrophobicContact CD2-CG1 4.34Å; H138-V674 CarbonylContact O-C 3.52Å; H138-V674 WeakPolarHBondContact O-CA 3.46Å; Y140-V674 HydrophobicContact CD1-CG1 3.82Å; Y140-V674 HydrophobicContact CE1-CG1 3.98Å; L179-V674 HydrophobicContact CD1-CG1 4.34Å; L179-V674 HydrophobicContact CD1-CG2 4.38Å; L613-V674 PolarHBondContact O-N 3.42Å; I614-V674 CarbonylContact C-O 3.56Å; I614-V674 WeakPolarHBondContact CA-O 3.35Å; V615-V674 PolarHBondContact N-O 2.92Å
675L98.3Very high83Confident1 Ų133.9 Ų33.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-112.1134-172.2-174.5149.5000110.4H138 L139 Y140 M528 V615 F621 E625H138-L675 PolarHBondContact O-N 3.07Å; L139-L675 VanDerWaalsContact CA-O 3.25Å; L139-L675 WeakPolarHBondContact CA-O 3.43Å; L139-L675 HydrophobicContact CD2-CB 4.05Å; L139-L675 HydrophobicContact CD2-CD2 4.18Å; L139-L675 WeakPolarHBondContact CD2-O 3.43Å; Y140-L675 PolarHBondContact N-O 3.15Å; M528-L675 HydrophobicContact SD-CD1 4.42Å; V615-L675 HydrophobicContact CB-CB 4.43Å; V615-L675 HydrophobicContact CB-CD1 4.44Å; V615-L675 HydrophobicContact CB-CG 4.22Å; V615-L675 HydrophobicContact CG1-CD1 4.38Å; V615-L675 HydrophobicContact CG1-CG 4.41Å; F621-L675 HydrophobicContact CB-CD2 3.82Å; F621-L675 HydrophobicContact CD1-CD2 4.39Å; F621-L675 HydrophobicContact CD2-CD2 3.31Å; F621-L675 HydrophobicContact CE2-CD2 3.92Å; F621-L675 HydrophobicContact CG-CD2 3.58Å; E625-L675 HydrophobicContact CB-CD1 4.5Å
676G98.6Very high86.4Confident0 Ų030.5 Ų30.50%018%0.184CC..EExtended strand (participates in β ladder)trans-154.9-175.2172.500000111.9Y140 V615 F616 V617Y140-G676 VanDerWaalsContact CE1-N 3.33Å; Y140-G676 WeakPolarHBondContact O-CA 3.19Å; V615-G676 PolarHBondContact O-N 3.13Å; F616-G676 WeakPolarHBondContact CA-O 3.31Å; V617-G676 PolarHBondContact N-O 3.33Å
677G98.5Very high89.6Confident0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-168.9-172.5-178.800000111Y140 L142 F616 V617 H679Y140-G677 PolarHBondContact O-N 3.05Å; L142-G677 PolarHBondContact N-O 3.46Å; L142-G677 VanDerWaalsContact N-O 3.1Å; F616-G677 VanDerWaalsContact CE2-C 3.4Å; F616-G677 VanDerWaalsContact CE2-CA 3.48Å; V617-G677 WeakPolarHBondContact O-CA 3.49Å; G677-H679 PolarHBondContact O-N 2.72Å
678T98.4Very high92.2Very high0 Ų027.3 Ų27.30%014%0.144CC..SBendtrans-62-32.4178.147.40000112.4E143 A144 A148 I168 F616 V617 V618 G619 G620E143-T678 CarbonylContact C-O 3.51Å; E143-T678 VanDerWaalsContact CA-O 3.26Å; E143-T678 WeakPolarHBondContact CA-O 3.4Å; E143-T678 PolarHBondContact N-O 3.3Å; A144-T678 HydrophobicContact CB-CG2 4.38Å; A144-T678 PolarHBondContact N-O 3.05Å; A148-T678 HydrophobicContact CB-CG2 3.72Å; A148-T678 VanDerWaalsContact CB-OG1 3.23Å; A148-T678 WeakPolarHBondContact CB-OG1 3.33Å; I168-T678 HydrophobicContact CD1-CG2 4.27Å; F616-T678 HydrophobicContact CZ-CG2 3.93Å; V617-T678 PolarHBondContact O-N 2.78Å; V618-T678 HydrophobicContact CG1-CG2 4.21Å; G619-T678 PolarHBondContact N-OG1 3.45Å; G619-T678 VanDerWaalsContact N-OG1 3.12Å; G620-T678 PolarHBondContact N-OG1 3.13Å
679H97.7Very high94.4Very high9 Ų925.1 Ų25.14%0.04212%0.12CC..SBendtrans-166.8167.7173.154.6-82.1000110.3S141 T145 G620 F621 G677 L681 N689S141-H679 WeakPolarHBondContact OG-CA 3.17Å; T145-H679 PolarHBondContact OG1-ND1 2.91Å; G620-H679 WeakPolarHBondContact CA-O 3.38Å; F621-H679 WeakPolarHBondContact CD1-O 3.3Å; F621-H679 PolarHBondContact N-O 3.29Å; F621-H679 VanDerWaalsContact N-O 3.13Å; G677-H679 PolarHBondContact O-N 2.72Å; H679-L681 WeakPolarHBondContact NE2-CD2 3.49Å; H679-N689 PolarHBondContact CE1-ND2 3.11Å; H679-N689 PolarHBondContact NE2-ND2 3.46Å
680L96.6Very high96Very high37 Ų3719.9 Ų19.919%0.19410%0.1CC..EExtended strand (participates in β ladder)trans-78.3131.5173.1-177.566.9000110.2L135 Y249 F621 L623L135-L680 HydrophobicContact CD1-CB 4.41Å; Y249-L680 HydrophobicContact CD1-CD2 4.28Å; Y249-L680 HydrophobicContact CE1-CD2 3.97Å; F621-L680 HydrophobicContact CD2-CD1 4.09Å; F621-L680 HydrophobicContact CE2-CD1 3.53Å; F621-L680 HydrophobicContact CZ-CB 4.45Å; F621-L680 HydrophobicContact CZ-CD1 3.8Å; L623-L680 HydrophobicContact CD2-CD1 3.94Å; L623-L680 HydrophobicContact CD2-CD2 4.38Å; L623-L680 HydrophobicContact CG-CD1 4.05Å
681L97.5Very high96.7Very high4 Ų422 Ų222%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-99.8128.8177.1-66176.5000111.2P237 G620 F621 T622 H679 I685 F686 N689P237-L681 HydrophobicContact CB-CD1 4.12Å; P237-L681 HydrophobicContact CG-CD1 3.97Å; G620-L681 VanDerWaalsContact C-CD1 3.47Å; G620-L681 WeakPolarHBondContact O-CD1 3.2Å; F621-L681 WeakPolarHBondContact O-CB 3.09Å; F621-L681 PolarHBondContact O-N 2.92Å; T622-L681 HydrophobicContact CG2-CB 4.16Å; T622-L681 HydrophobicContact CG2-CD1 4.48Å; H679-L681 WeakPolarHBondContact NE2-CD2 3.49Å; L681-I685 HydrophobicContact CD2-CG2 3.99Å; L681-F686 HydrophobicContact CD1-CD2 4.04Å; L681-F686 HydrophobicContact CD2-CB 4.21Å; L681-F686 HydrophobicContact CD2-CD2 4.28Å; L681-N689 WeakPolarHBondContact CD2-ND2 3.43Å
682T96.3Very high96.9Very high20 Ų2022 Ų2212%0.12311%0.113CC..PPolyproline II helixtrans-101.4165.1148.466.60000108.5Y249 K684 I685 F686Y249-T682 HydrophobicContact CD1-CG2 4.31Å; Y249-T682 WeakPolarHBondContact O-CG2 3.4Å; T682-K684 PolarHBondContact O-N 2.84Å; T682-I685 HydrophobicContact CG2-CD1 4.24Å; T682-I685 PolarHBondContact O-N 2.81Å; T682-I685 VanDerWaalsContact O-N 3.15Å; T682-I685 WeakPolarHBondContact OG1-CG1 3.32Å; T682-I685 PolarHBondContact OG1-N 3.01Å; T682-F686 PolarHBondContact O-N 3.3Å
683P97.2Very high97Very high13 Ų1321.8 Ų21.88%0.08411%0.112CC..Hα-helixtrans-54.2-42.3175.4-28.938.3000112.7P237 D250 R411 F686 L687P237-P683 VanDerWaalsContact O-CA 3.24Å; P237-P683 WeakPolarHBondContact O-CA 3.06Å; P237-P683 WeakPolarHBondContact O-CB 3.31Å; P237-P683 WeakPolarHBondContact O-CG 3.33Å; D250-P683 WeakPolarHBondContact OD1-CG 3.15Å; R411-P683 VanDerWaalsContact CZ-CB 3.42Å; P683-F686 WeakPolarHBondContact O-CB 3.24Å; P683-F686 PolarHBondContact O-N 2.81Å; P683-L687 WeakPolarHBondContact O-CG 3.22Å; P683-L687 PolarHBondContact O-N 2.86Å
684K95.9Very high96.9Very high119 Ų11922.1 Ų22.152%0.51711%0.114SC..Hα-helixtrans-59-49.9174.1-173.7176.2178.5-178.40113.2T682 F686 L687 D688T682-K684 PolarHBondContact O-N 2.84Å; K684-F686 PolarHBondContact O-N 3.07Å; K684-L687 WeakPolarHBondContact O-CB 3.37Å; K684-L687 PolarHBondContact O-N 2.97Å; K684-L687 VanDerWaalsContact O-N 3.1Å; K684-D688 PolarHBondContact O-N 3.09Å
685I96.4Very high96.6Very high61 Ų6127.8 Ų27.831%0.31314%0.139SC..Hα-helixtrans-61.7-35.9177.7-66.4170.7000110.9L681 T682 D688 N689L681-I685 HydrophobicContact CD2-CG2 3.99Å; T682-I685 HydrophobicContact CG2-CD1 4.24Å; T682-I685 PolarHBondContact O-N 2.81Å; T682-I685 VanDerWaalsContact O-N 3.15Å; T682-I685 WeakPolarHBondContact OG1-CG1 3.32Å; T682-I685 PolarHBondContact OG1-N 3.01Å; I685-D688 PolarHBondContact O-N 2.77Å; I685-N689 VanDerWaalsContact O-CG 3.29Å; I685-N689 PolarHBondContact O-N 2.9Å; I685-N689 PolarHBondContact O-ND2 2.84Å
686F98Very high96.2Very high2 Ų230.9 Ų30.91%0.00916%0.155CC..Hα-helixtrans-65.5-39.7175.9-174.3-114.5000112R230 P237 L238 L448 I451 L681 T682 P683 K684 N689 L690R230-F686 HydrophobicContact CG-CE2 3.87Å; P237-F686 HydrophobicContact CB-CB 3.96Å; P237-F686 HydrophobicContact CB-CD1 3.74Å; P237-F686 HydrophobicContact CB-CD2 3.92Å; P237-F686 HydrophobicContact CB-CE1 4.19Å; P237-F686 HydrophobicContact CB-CE2 4.37Å; P237-F686 HydrophobicContact CB-CG 3.58Å; P237-F686 HydrophobicContact CB-CZ 4.49Å; P237-F686 HydrophobicContact CG-CD2 4.33Å; P237-F686 HydrophobicContact CG-CE2 4.41Å; P237-F686 HydrophobicContact CG-CG 4.45Å; L238-F686 HydrophobicContact CD1-CE1 4.37Å; L238-F686 HydrophobicContact CD2-CD1 3.69Å; L238-F686 HydrophobicContact CD2-CE1 3.92Å; L238-F686 HydrophobicContact CG-CD1 4.03Å; L238-F686 HydrophobicContact CG-CE1 3.96Å; L448-F686 HydrophobicContact CD1-CZ 4.49Å; I451-F686 HydrophobicContact CD1-CE2 4.21Å; I451-F686 HydrophobicContact CD1-CZ 4.3Å; L681-F686 HydrophobicContact CD1-CD2 4.04Å; L681-F686 HydrophobicContact CD2-CB 4.21Å; L681-F686 HydrophobicContact CD2-CD2 4.28Å; T682-F686 PolarHBondContact O-N 3.3Å; P683-F686 WeakPolarHBondContact O-CB 3.24Å; P683-F686 PolarHBondContact O-N 2.81Å; K684-F686 PolarHBondContact O-N 3.07Å; F686-N689 WeakPolarHBondContact O-CB 3.36Å; F686-N689 PolarHBondContact O-N 2.87Å; F686-L690 HydrophobicContact CE1-CD1 4.19Å; F686-L690 HydrophobicContact CZ-CD2 4.5Å; F686-L690 WeakPolarHBondContact O-CG 3.46Å; F686-L690 PolarHBondContact O-N 2.59Å; F686-L690 VanDerWaalsContact O-N 3.1Å
687L97.7Very high95.8Very high14 Ų1431.6 Ų31.67%0.07316%0.159CC..Hα-helixtrans-64.7-42.4172.2-65.2175.4000112L238 E407 L410 R411 L414 P683 K684 N689 L690 E691L238-L687 HydrophobicContact CD2-CD2 4.31Å; E407-L687 HydrophobicContact CG-CD1 3.42Å; E407-L687 VanDerWaalsContact CG-CD1 3.42Å; L410-L687 HydrophobicContact CD2-CD1 4.41Å; L410-L687 HydrophobicContact CD2-CD2 4.08Å; L410-L687 HydrophobicContact CG-CD2 4.31Å; R411-L687 HydrophobicContact CG-CD1 4.22Å; L414-L687 HydrophobicContact CD1-CD2 3.41Å; L414-L687 VanDerWaalsContact CD1-CD2 3.41Å; P683-L687 WeakPolarHBondContact O-CG 3.22Å; P683-L687 PolarHBondContact O-N 2.86Å; K684-L687 WeakPolarHBondContact O-CB 3.37Å; K684-L687 PolarHBondContact O-N 2.97Å; K684-L687 VanDerWaalsContact O-N 3.1Å; L687-N689 PolarHBondContact O-N 3.33Å; L687-L690 HydrophobicContact CD2-CD1 4.37Å; L687-L690 WeakPolarHBondContact O-CB 3.27Å; L687-L690 PolarHBondContact O-N 2.98Å; L687-L690 VanDerWaalsContact O-N 3.09Å; L687-E691 PolarHBondContact O-N 3.24Å
688D97Very high95.1Very high79 Ų7932.9 Ų32.942%0.42217%0.165SC..Hα-helixtrans-59.7-35.9175.2-67-22.9000111.3K684 I685 E691 G692K684-D688 PolarHBondContact O-N 3.09Å; I685-D688 PolarHBondContact O-N 2.77Å; D688-E691 WeakPolarHBondContact O-CB 3.42Å; D688-E691 PolarHBondContact O-N 3.06Å; D688-G692 PolarHBondContact O-N 3.19Å
689N97.3Very high93.8Very high10 Ų1037 Ų375%0.05319%0.192CC..Hα-helixtrans-65.4-44.3173.2-73.1-28.5000112.9T145 Q149 H679 L681 I685 F686 L687 E691 G692 I693T145-N689 WeakPolarHBondContact CG2-OD1 3.26Å; Q149-N689 HydrophobicContact CG-CB 4.18Å; Q149-N689 PolarHBondContact NE2-OD1 3.45Å; H679-N689 PolarHBondContact CE1-ND2 3.11Å; H679-N689 PolarHBondContact NE2-ND2 3.46Å; L681-N689 WeakPolarHBondContact CD2-ND2 3.43Å; I685-N689 VanDerWaalsContact O-CG 3.29Å; I685-N689 PolarHBondContact O-N 2.9Å; I685-N689 PolarHBondContact O-ND2 2.84Å; F686-N689 WeakPolarHBondContact O-CB 3.36Å; F686-N689 PolarHBondContact O-N 2.87Å; L687-N689 PolarHBondContact O-N 3.33Å; N689-E691 PolarHBondContact O-N 2.88Å; N689-G692 PolarHBondContact O-N 3.2Å; N689-I693 WeakPolarHBondContact O-CG1 3.38Å; N689-I693 PolarHBondContact O-N 2.94Å
690L97.4Very high92.3Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-61.1-36.9174.6-65.1178.3000110.8L414 L444 S447 L448 I451 F686 L687 A694L414-L690 HydrophobicContact CD1-CD1 3.92Å; L414-L690 HydrophobicContact CD2-CD1 4.41Å; L444-L690 HydrophobicContact CB-CB 4.15Å; L444-L690 HydrophobicContact CD2-CB 4.48Å; L444-L690 HydrophobicContact CG-CB 3.89Å; S447-L690 VanDerWaalsContact CB-O 3.29Å; S447-L690 WeakPolarHBondContact CB-O 3.35Å; S447-L690 PolarHBondContact OG-O 3.31Å; L448-L690 HydrophobicContact CB-CD2 4.31Å; L448-L690 HydrophobicContact CD1-CD2 4.47Å; I451-L690 HydrophobicContact CD1-CD2 3.55Å; F686-L690 HydrophobicContact CE1-CD1 4.19Å; F686-L690 HydrophobicContact CZ-CD2 4.5Å; F686-L690 WeakPolarHBondContact O-CG 3.46Å; F686-L690 PolarHBondContact O-N 2.59Å; F686-L690 VanDerWaalsContact O-N 3.1Å; L687-L690 HydrophobicContact CD2-CD1 4.37Å; L687-L690 WeakPolarHBondContact O-CB 3.27Å; L687-L690 PolarHBondContact O-N 2.98Å; L687-L690 VanDerWaalsContact O-N 3.09Å; L690-A694 VanDerWaalsContact O-CB 3.3Å; L690-A694 WeakPolarHBondContact O-CB 3.14Å; L690-A694 PolarHBondContact O-N 3.19Å
691E95.9Very high90.7Very high72 Ų7243.7 Ų43.734%0.33624%0.236SC..Hα-helixtrans-67.4-41175-163.1-170.8147.100112.1L444 L687 D688 N689 I693 A694 K695L444-E691 HydrophobicContact CD1-CB 4.47Å; L687-E691 PolarHBondContact O-N 3.24Å; D688-E691 WeakPolarHBondContact O-CB 3.42Å; D688-E691 PolarHBondContact O-N 3.06Å; N689-E691 PolarHBondContact O-N 2.88Å; E691-I693 PolarHBondContact O-N 3.38Å; E691-A694 WeakPolarHBondContact O-CB 3.42Å; E691-A694 PolarHBondContact O-N 3.17Å; E691-A694 VanDerWaalsContact O-N 3.16Å; E691-K695 WeakPolarHBondContact O-CG 3.37Å; E691-K695 PolarHBondContact O-N 3.25Å; E691-K695 WeakPolarHBondContact OE1-CE 3.46Å; E691-K695 IonicContact OE1-NZ 3.65Å; E691-K695 PolarHBondContact OE1-NZ 3.33Å
692G94.9Very high88.4Confident13 Ų1347 Ų4713%0.13426%0.26CS..Hα-helixtrans-57.6-46.7173.700000112.2D688 N689 K695 I696D688-G692 PolarHBondContact O-N 3.19Å; N689-G692 PolarHBondContact O-N 3.2Å; G692-K695 PolarHBondContact O-N 3.35Å; G692-I696 WeakPolarHBondContact O-CD1 3.38Å
693I95.1Very high85.7Confident2 Ų252.3 Ų52.31%0.0130%0.298CS..Hα-helixtrans-61.3-45.7173.2-64.2170.7000110.6Q149 F152 L153 S447 I451 N689 E691 K695 I696 I697Q149-I693 HydrophobicContact CB-CG1 3.8Å; Q149-I693 HydrophobicContact CG-CG1 4.26Å; F152-I693 HydrophobicContact CD2-CD1 4.45Å; L153-I693 HydrophobicContact CD2-CG2 3.91Å; S447-I693 WeakPolarHBondContact OG-CG2 3.47Å; I451-I693 HydrophobicContact CD1-CD1 4.15Å; I451-I693 HydrophobicContact CG1-CD1 4.1Å; N689-I693 WeakPolarHBondContact O-CG1 3.38Å; N689-I693 PolarHBondContact O-N 2.94Å; E691-I693 PolarHBondContact O-N 3.38Å; I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 2.83Å; I693-I696 WeakPolarHBondContact O-CB 3.34Å; I693-I696 PolarHBondContact O-N 2.73Å; I693-I697 HydrophobicContact CG2-CD1 4.31Å; I693-I697 HydrophobicContact CG2-CG2 4.27Å; I693-I697 WeakPolarHBondContact O-CG1 3.47Å; I693-I697 PolarHBondContact O-N 2.86Å; I693-I697 VanDerWaalsContact O-N 3.08Å
694A93.4Very high82.7Confident7 Ų756.1 Ų56.16%0.05832%0.321CS..Hα-helixtrans-58.5-42.5-177.200000112.2P443 L444 S447 L690 E691 I696 I697 M698P443-A694 HydrophobicContact CB-CB 3.59Å; L444-A694 HydrophobicContact CD1-CB 4.16Å; S447-A694 WeakPolarHBondContact OG-CA 3.27Å; S447-A694 WeakPolarHBondContact OG-CB 3.35Å; S447-A694 PolarHBondContact OG-N 2.9Å; S447-A694 VanDerWaalsContact OG-N 3.08Å; L690-A694 VanDerWaalsContact O-CB 3.3Å; L690-A694 WeakPolarHBondContact O-CB 3.14Å; L690-A694 PolarHBondContact O-N 3.19Å; E691-A694 WeakPolarHBondContact O-CB 3.42Å; E691-A694 PolarHBondContact O-N 3.17Å; E691-A694 VanDerWaalsContact O-N 3.16Å; A694-I696 PolarHBondContact O-N 3.07Å; A694-I697 PolarHBondContact O-N 2.93Å; A694-M698 CarbonylContact O-C 3.53Å; A694-M698 PolarHBondContact O-N 3.25Å
695K91Very high79.9Confident120 Ų12056.2 Ų56.252%0.52233%0.333SS..Hα-helixtrans-58.7-28.9177.1-75.6167.4-179.6159.90112.9E691 G692 I693 P699E691-K695 WeakPolarHBondContact O-CG 3.37Å; E691-K695 PolarHBondContact O-N 3.25Å; E691-K695 WeakPolarHBondContact OE1-CE 3.46Å; E691-K695 IonicContact OE1-NZ 3.65Å; E691-K695 PolarHBondContact OE1-NZ 3.33Å; G692-K695 PolarHBondContact O-N 3.35Å; I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 2.83Å; K695-P699 WeakPolarHBondContact O-CA 3.33Å
696I89.9Confident77.5Confident66 Ų6658.4 Ų58.434%0.33835%0.345SS..Hα-helixtrans-85.2-47.6-179.8-60.9156.4000110.8L150 L153 I157 G692 I693 A694L150-I696 HydrophobicContact CD2-CD1 3.41Å; L150-I696 VanDerWaalsContact CD2-CD1 3.41Å; L150-I696 HydrophobicContact CG-CD1 4.47Å; L153-I696 HydrophobicContact CD1-CB 4.21Å; L153-I696 HydrophobicContact CD1-CD1 4.25Å; L153-I696 HydrophobicContact CD1-CG2 3.79Å; I157-I696 HydrophobicContact CG2-CG2 3.67Å; G692-I696 WeakPolarHBondContact O-CD1 3.38Å; I693-I696 WeakPolarHBondContact O-CB 3.34Å; I693-I696 PolarHBondContact O-N 2.73Å; A694-I696 PolarHBondContact O-N 3.07Å
697I89Confident74.9Confident16 Ų1662 Ų628%0.08237%0.368CS..Hα-helixtrans-78-26.1-17462.8174.6000113.4L153 I157 A446 F450 I693 A694L153-I697 HydrophobicContact CD1-CG2 4.2Å; L153-I697 HydrophobicContact CD2-CG2 3.47Å; L153-I697 VanDerWaalsContact CD2-CG2 3.47Å; L153-I697 HydrophobicContact CG-CG2 4.5Å; I157-I697 HydrophobicContact CD1-CG2 4.17Å; A446-I697 HydrophobicContact CB-CD1 3.76Å; F450-I697 HydrophobicContact CD2-CD1 3.69Å; F450-I697 HydrophobicContact CD2-CG2 4.1Å; F450-I697 HydrophobicContact CE2-CB 4.05Å; F450-I697 HydrophobicContact CE2-CD1 3.54Å; F450-I697 HydrophobicContact CE2-CG1 4.37Å; F450-I697 HydrophobicContact CE2-CG2 3.71Å; F450-I697 HydrophobicContact CZ-CG2 4.08Å; I693-I697 HydrophobicContact CG2-CD1 4.31Å; I693-I697 HydrophobicContact CG2-CG2 4.27Å; I693-I697 WeakPolarHBondContact O-CG1 3.47Å; I693-I697 PolarHBondContact O-N 2.86Å; I693-I697 VanDerWaalsContact O-N 3.08Å; A694-I697 PolarHBondContact O-N 2.93Å
698M84.1Confident72.4Confident27 Ų2768 Ų6813%0.13340%0.396CS..SBendtrans-142.970.3-178.3-69.2-175.372.100109P443 Q476 L477 C480 A694P443-M698 HydrophobicContact CB-SD 4.38Å; P443-M698 HydrophobicContact CG-SD 4.41Å; Q476-M698 WeakPolarHBondContact O-CE 3.43Å; L477-M698 HydrophobicContact CD2-CE 4.19Å; L477-M698 HydrophobicContact CD2-SD 3.65Å; C480-M698 HydrophobicContact CB-CG 4.2Å; A694-M698 CarbonylContact O-C 3.53Å; A694-M698 PolarHBondContact O-N 3.25Å
699P72.2Confident70.1Confident86 Ų8668 Ų6856%0.55840%0.402SS*.  trans-59.5141.4-179.625.3-33.5000109.9K695 V701K695-P699 WeakPolarHBondContact O-CA 3.33Å; P699-V701 PolarHBondContact O-N 3.31Å
700P65.9Low67.6Low92 Ų9272.1 Ų72.160%0.59742%0.423SS*.  trans-56.5129.6175.122.9-31000108.6S702P700-S702 PolarHBondContact O-N 3.48Å
701V61.6Low65Low94 Ų9477.4 Ų77.457%0.5745%0.451SS*.  trans-55.4107.4177.8-175.80000107.8Q474 P699Q474-V701 HydrophobicContact CG-CG2 4.29Å; P699-V701 PolarHBondContact O-N 3.31Å
702S49.8Very low62.3Low74 Ų7482.5 Ų82.552%0.51747%0.467SS..  trans-62.2143.2170.856.50000107.7P700 T704P700-S702 PolarHBondContact O-N 3.48Å; S702-T704 WeakPolarHBondContact CB-OG1 3.49Å; S702-T704 PolarHBondContact O-N 3.11Å; S702-T704 PolarHBondContact OG-OG1 2.95Å
703S40.3Very low59.7Low132 Ų13292 Ų9292%0.92350%0.499SS*.SBendtrans-63.48.1173.846.90000113.8
704T34.4Very low57.2Low93 Ų9397.2 Ų97.257%0.57153%0.531SS*.SBendtrans-95.4122.5173.443.60000110.2S702 I706S702-T704 WeakPolarHBondContact CB-OG1 3.49Å; S702-T704 PolarHBondContact O-N 3.11Å; S702-T704 PolarHBondContact OG-OG1 2.95Å; T704-I706 PolarHBondContact O-N 3.05Å
705P37.3Very low54.6Low120 Ų120101.7 Ų101.778%0.77956%0.561SS**PPolyproline II helixtrans-61.8135.3179.323.4-29.9000110.3
706I45.3Very low52.1Low108 Ų108102.9 Ų102.955%0.55457%0.572SS**PPolyproline II helixtrans-55.9126172.4-59.8170.9000107.6T704 E708 I710T704-I706 PolarHBondContact O-N 3.05Å; I706-E708 PolarHBondContact O-N 3.24Å; I706-I710 HydrophobicContact CG2-CB 3.93Å; I706-I710 HydrophobicContact CG2-CD1 4.31Å; I706-I710 HydrophobicContact CG2-CG2 4.19Å
707P42.5Very low49.5Very low76 Ų76108 Ų10849%0.49460%0.597SS.*PPolyproline II helixtrans-56.2132.3177.2-23.932.5000110.8S709 I710P707-S709 PolarHBondContact O-N 2.83Å; P707-I710 PolarHBondContact O-N 2.82Å
708E46.5Very low47Very low140 Ų140114 Ų11465%0.65463%0.629SS**Hα-helixtrans-51.3-23.7179.4-79.8-168152.800113.6I706 I710 L711 R712I706-E708 PolarHBondContact O-N 3.24Å; E708-I710 VanDerWaalsContact C-N 3.27Å; E708-I710 PolarHBondContact O-N 3.13Å; E708-L711 PolarHBondContact O-N 3.37Å; E708-R712 PolarHBondContact O-N 3.46Å; E708-R712 VanDerWaalsContact O-N 3.1Å
709S47.2Very low45Very low81 Ų81117.8 Ų117.857%0.56666%0.655SS**Hα-helixtrans-62.7-27.9176.357.40000113.9P707P707-S709 PolarHBondContact O-N 2.83Å
710I46.3Very low43.2Very low96 Ų96122.8 Ų122.849%0.49267%0.669SS.*Hα-helixtrans-80.5-39.3176.9-62.1179.7000110.5I706 P707 E708 R712 R713I706-I710 HydrophobicContact CG2-CB 3.93Å; I706-I710 HydrophobicContact CG2-CD1 4.31Å; I706-I710 HydrophobicContact CG2-CG2 4.19Å; P707-I710 PolarHBondContact O-N 2.82Å; E708-I710 VanDerWaalsContact C-N 3.27Å; E708-I710 PolarHBondContact O-N 3.13Å; I710-R712 VanDerWaalsContact C-N 3.31Å; I710-R712 PolarHBondContact O-N 3.29Å; I710-R713 PolarHBondContact O-N 2.83Å
711L41.8Very low41.8Very low110 Ų110130.4 Ų130.458%0.57669%0.685SS**Hα-helixtrans-64.7-34176.4-70.4169.6000112.3E708 R713E708-L711 PolarHBondContact O-N 3.37Å; L711-R713 VanDerWaalsContact C-N 3.32Å; L711-R713 PolarHBondContact O-N 2.83Å
712R39.8Very low40.5Very low179 Ų179133.4 Ų133.468%0.67574%0.735SS**Hα-helixtrans-69.2-23.7175.8-73.3-173-173.4-168.64.4114.1E708 I710E708-R712 PolarHBondContact O-N 3.46Å; E708-R712 VanDerWaalsContact O-N 3.1Å; I710-R712 VanDerWaalsContact C-N 3.31Å; I710-R712 PolarHBondContact O-N 3.29Å
713R40.4Very low40Very low214 Ų214136.4 Ų136.481%0.80875%0.746SS**Hα-helixtrans-80.1-26178.4-81.6-174.6173.2-177-1.2113.7I710 L711I710-R713 PolarHBondContact O-N 2.83Å; L711-R713 VanDerWaalsContact C-N 3.32Å; L711-R713 PolarHBondContact O-N 2.83Å
714V41.8Very low40Very low111 Ų111136.6 Ų136.667%0.67374%0.737SS**Hα-helixtrans-79.7-22.1178.6-178.90000111.9I716V714-I716 PolarHBondContact O-N 3.42Å
715S38.8Very low40.3Very low101 Ų101139.1 Ų139.171%0.70675%0.746SS**THydrogen-bonded Turntrans-84.60.3-177.8-1440000115.2
716I40.1Very low40.5Very low144 Ų144140.2 Ų140.274%0.73874%0.744SS**THydrogen-bonded Turntrans-102.9-4.2-176-56.3174.6000112.9V714V714-I716 PolarHBondContact O-N 3.42Å
717M35Very low40.2Very low175 Ų175142.2 Ų142.286%0.86276%0.756SS**  trans-10879.2173.3-66.3-166.594.300111.1
718N36.9Very low40.1Very low142 Ų142146.6 Ų146.676%0.75977%0.774SS**  trans-119.596.3164.6-153.25.9000108.2F720N718-F720 VanDerWaalsContact C-N 3.3Å; N718-F720 PolarHBondContact O-N 3.48Å
719P40.6Very low39.6Very low106 Ų106147.1 Ų147.169%0.68878%0.782SS**  trans-92.956.5-178.537.8-32.3000110.2
720F35.4Very low39Very low191 Ų191152.2 Ų152.284%0.83880%0.799SS**  trans-157.890.8165.4-84.2-69.9000111.2N718N718-F720 VanDerWaalsContact C-N 3.3Å; N718-F720 PolarHBondContact O-N 3.48Å
721R35.9Very low38.4Very low252 Ų252156.8 Ų156.895%0.95182%0.824SS**  trans-150.8115.1152.8-102.2-166.6-177.9-166.41.5108.2
722G34.6Very low38.1Very low157 Ų157161.1 Ų161.1100%1.61985%0.847SS**  trans88.30163.100000114.7

Retrieved 722 of 722 residues in 1475.2 ms (Link to these results)

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