A0A3Q0KP07_SCHMA Loading...

Putative calcium-binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KP07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 157 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
1M47.5Very low64.9Low193 Ų19370.3 Ų70.395%0.95138%0.383SS*.  0121.40-76173.576.900107.4D5 A6M1-D5 HydrophobicContact CB-CB 4.46Å; M1-A6 HydrophobicContact CE-CB 4.46Å
2T59.2Low66.2Low78 Ų7875.5 Ų75.548%0.47939%0.394SS..  trans-73.9163.5170.462.90000109.8D4 D5 A6T2-D4 PolarHBondContact O-N 3.18Å; T2-D5 WeakPolarHBondContact CB-OD2 3.2Å; T2-D5 PolarHBondContact N-OD2 3.18Å; T2-D5 PolarHBondContact O-N 3.45Å; T2-D5 PolarHBondContact OG1-N 2.61Å; T2-D5 VanDerWaalsContact OG1-N 3.11Å; T2-D5 PolarHBondContact OG1-OD2 3.48Å; T2-A6 PolarHBondContact O-N 3.48Å
3T57Low67.3Low97 Ų9776.6 Ų76.660%0.59540%0.401SS*.Hα-helixtrans-55.4-37171.3-51.40000110.3A6 L7T3-A6 PolarHBondContact O-N 2.96Å; T3-L7 HydrophobicContact CG2-CD1 4.1Å; T3-L7 WeakPolarHBondContact O-CG 3.32Å; T3-L7 PolarHBondContact O-N 2.96Å
4D61Low68.3Low75 Ų7571.6 Ų71.640%0.40138%0.375SS..Hα-helixtrans-67.5-41.9-179.6-55.4-31.7000111.6T2 A6 L7 I8T2-D4 PolarHBondContact O-N 3.18Å; D4-A6 VanDerWaalsContact C-N 3.32Å; D4-A6 PolarHBondContact O-N 3.49Å; D4-L7 PolarHBondContact O-N 3.48Å; D4-L7 VanDerWaalsContact O-N 3.11Å; D4-I8 VanDerWaalsContact O-CG1 3.28Å; D4-I8 WeakPolarHBondContact O-CG1 3.28Å; D4-I8 PolarHBondContact O-N 2.95Å
5D67.5Low69.4Low77 Ų7767.3 Ų67.341%0.41235%0.352SS..Hα-helixtrans-58.2-43.3175.9-66.4-56.9000111.9M1 T2 L7 Q9M1-D5 HydrophobicContact CB-CB 4.46Å; T2-D5 WeakPolarHBondContact CB-OD2 3.2Å; T2-D5 PolarHBondContact N-OD2 3.18Å; T2-D5 PolarHBondContact O-N 3.45Å; T2-D5 PolarHBondContact OG1-N 2.61Å; T2-D5 VanDerWaalsContact OG1-N 3.11Å; T2-D5 PolarHBondContact OG1-OD2 3.48Å; D5-L7 VanDerWaalsContact C-N 3.3Å; D5-L7 PolarHBondContact O-N 3.35Å; D5-Q9 WeakPolarHBondContact O-CB 3.35Å; D5-Q9 PolarHBondContact O-N 2.86Å
6A66.7Low70.1Confident42 Ų4270.6 Ų70.635%0.34738%0.376SS..Hα-helixtrans-66.5-34.3178.700000111.9M1 T2 T3 D4 M10M1-A6 HydrophobicContact CE-CB 4.46Å; T2-A6 PolarHBondContact O-N 3.48Å; T3-A6 PolarHBondContact O-N 2.96Å; D4-A6 VanDerWaalsContact C-N 3.32Å; D4-A6 PolarHBondContact O-N 3.49Å; A6-M10 WeakPolarHBondContact O-CG 3.36Å; A6-M10 PolarHBondContact O-N 3.03Å
7L63.9Low70.9Confident8 Ų872.6 Ų72.64%0.04239%0.387CS..Hα-helixtrans-76.2-38.6178.8-64.7168.8000112T3 D4 D5 Q9 M10 F11 Y61 I65T3-L7 HydrophobicContact CG2-CD1 4.1Å; T3-L7 WeakPolarHBondContact O-CG 3.32Å; T3-L7 PolarHBondContact O-N 2.96Å; D4-L7 PolarHBondContact O-N 3.48Å; D4-L7 VanDerWaalsContact O-N 3.11Å; D5-L7 VanDerWaalsContact C-N 3.3Å; D5-L7 PolarHBondContact O-N 3.35Å; L7-Q9 VanDerWaalsContact C-N 3.3Å; L7-M10 HydrophobicContact CB-CE 4.29Å; L7-M10 HydrophobicContact CD2-CE 3.07Å; L7-M10 HydrophobicContact CG-CE 4.09Å; L7-M10 WeakPolarHBondContact O-CB 3.37Å; L7-M10 PolarHBondContact O-N 2.86Å; L7-F11 PolarHBondContact O-N 3.03Å; L7-F11 VanDerWaalsContact O-N 3.11Å; L7-Y61 WeakPolarHBondContact O-CE1 3.43Å; L7-Y61 PolarHBondContact O-OH 3.16Å; L7-I65 HydrophobicContact CB-CD1 4.45Å; L7-I65 HydrophobicContact CD1-CG2 3.59Å
8I70.1Confident71.5Confident50 Ų5078.4 Ų78.426%0.25641%0.408SS..Hα-helixtrans-62.6-42.9172.2-68.2165.1000109.4D4 M10 F11 Y12D4-I8 VanDerWaalsContact O-CG1 3.28Å; D4-I8 WeakPolarHBondContact O-CG1 3.28Å; D4-I8 PolarHBondContact O-N 2.95Å; I8-M10 VanDerWaalsContact C-N 3.27Å; I8-M10 PolarHBondContact O-N 3.08Å; I8-F11 WeakPolarHBondContact O-CB 3.47Å; I8-F11 PolarHBondContact O-N 2.9Å; I8-F11 VanDerWaalsContact O-N 3.11Å; I8-Y12 HydrophobicContact CG2-CD2 3.93Å; I8-Y12 HydrophobicContact CG2-CE2 3.51Å; I8-Y12 VanDerWaalsContact O-CD2 3.24Å; I8-Y12 WeakPolarHBondContact O-CD2 2.74Å; I8-Y12 PolarHBondContact O-N 3.25Å
9Q74Confident72.3Confident97 Ų9778.1 Ų78.145%0.45341%0.413SS..Hα-helixtrans-60-40.2174.6-170.261.339.600111.5D5 L7 F11 Y12 D13D5-Q9 WeakPolarHBondContact O-CB 3.35Å; D5-Q9 PolarHBondContact O-N 2.86Å; L7-Q9 VanDerWaalsContact C-N 3.3Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-F11 PolarHBondContact O-N 3Å; Q9-Y12 PolarHBondContact O-N 3.24Å; Q9-D13 PolarHBondContact NE2-OD1 2.86Å; Q9-D13 VanDerWaalsContact NE2-OD1 3.14Å; Q9-D13 PolarHBondContact O-N 3.18Å
10M72.7Confident72.7Confident54 Ų5476.2 Ų76.227%0.26641%0.413SS..Hα-helixtrans-61.4-38.6175.1-73.3-169.1-57.100112.6A6 L7 I8 Y12 D13 I14 Y30A6-M10 WeakPolarHBondContact O-CG 3.36Å; A6-M10 PolarHBondContact O-N 3.03Å; L7-M10 HydrophobicContact CB-CE 4.29Å; L7-M10 HydrophobicContact CD2-CE 3.07Å; L7-M10 HydrophobicContact CG-CE 4.09Å; L7-M10 WeakPolarHBondContact O-CB 3.37Å; L7-M10 PolarHBondContact O-N 2.86Å; I8-M10 VanDerWaalsContact C-N 3.27Å; I8-M10 PolarHBondContact O-N 3.08Å; M10-Y12 VanDerWaalsContact C-N 3.34Å; M10-Y12 PolarHBondContact O-N 2.97Å; M10-D13 PolarHBondContact O-N 2.72Å; M10-D13 VanDerWaalsContact O-N 3.14Å; M10-I14 HydrophobicContact CB-CD1 4.5Å; M10-I14 WeakPolarHBondContact O-CD1 3.23Å; M10-I14 WeakPolarHBondContact O-CG1 3.1Å; M10-I14 PolarHBondContact O-N 3.15Å; M10-Y30 WeakPolarHBondContact CG-OH 3.47Å; M10-Y30 PolarHBondContact SD-OH 3.03Å
11F74.2Confident73.2Confident2 Ų273.5 Ų73.51%0.00940%0.401CS..Hα-helixtrans-58.6-47.5175.8-174.5-92000111.3L7 I8 Q9 D13 I14 D15 V22 F58 Y61L7-F11 PolarHBondContact O-N 3.03Å; L7-F11 VanDerWaalsContact O-N 3.11Å; I8-F11 WeakPolarHBondContact O-CB 3.47Å; I8-F11 PolarHBondContact O-N 2.9Å; I8-F11 VanDerWaalsContact O-N 3.11Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-F11 PolarHBondContact O-N 3Å; F11-D13 VanDerWaalsContact C-N 3.27Å; F11-D13 PolarHBondContact O-N 2.84Å; F11-I14 PolarHBondContact O-N 3.06Å; F11-I14 VanDerWaalsContact O-N 3.09Å; F11-D15 WeakPolarHBondContact O-CB 3.31Å; F11-D15 PolarHBondContact O-N 2.83Å; F11-V22 HydrophobicContact CD1-CG2 4.44Å; F11-V22 HydrophobicContact CD2-CB 4.42Å; F11-V22 HydrophobicContact CD2-CG2 3.65Å; F11-V22 HydrophobicContact CE1-CG2 4.25Å; F11-V22 HydrophobicContact CE2-CB 3.91Å; F11-V22 HydrophobicContact CE2-CG2 3.44Å; F11-V22 VanDerWaalsContact CE2-CG2 3.44Å; F11-V22 HydrophobicContact CG-CG2 4.17Å; F11-V22 HydrophobicContact CZ-CB 4.36Å; F11-V22 HydrophobicContact CZ-CG2 3.77Å; F11-F58 HydrophobicContact CD1-CD2 4.17Å; F11-F58 HydrophobicContact CE1-CB 4.48Å; F11-F58 HydrophobicContact CE1-CD2 4.18Å; F11-F58 HydrophobicContact CZ-CB 4.33Å; F11-Y61 HydrophobicContact CB-CD1 3.85Å; F11-Y61 HydrophobicContact CB-CE1 3.54Å; F11-Y61 AromaticContact CD2-CD1 3.51Å; F11-Y61 HydrophobicContact CD2-CD1 3.51Å; F11-Y61 AromaticContact CD2-CD2 3.79Å; F11-Y61 HydrophobicContact CD2-CD2 3.79Å; F11-Y61 AromaticContact CD2-CE1 3.99Å; F11-Y61 HydrophobicContact CD2-CE1 3.99Å; F11-Y61 HydrophobicContact CD2-CE2 4.24Å; F11-Y61 AromaticContact CD2-CG 3.41Å; F11-Y61 HydrophobicContact CD2-CG 3.41Å; F11-Y61 VanDerWaalsContact CD2-CG 3.41Å; F11-Y61 HydrophobicContact CE2-CD1 4.34Å; F11-Y61 HydrophobicContact CE2-CD2 4.42Å; F11-Y61 AromaticContact CE2-CG 3.95Å; F11-Y61 HydrophobicContact CE2-CG 3.95Å; F11-Y61 AromaticContact CG-CD1 3.92Å; F11-Y61 HydrophobicContact CG-CD1 3.92Å; F11-Y61 HydrophobicContact CG-CE1 4.13Å; F11-Y61 HydrophobicContact CG-CG 4.29Å
12Y80.7Confident74.9Confident133 Ų13364.4 Ų64.452%0.52236%0.357SS..Hα-helixtrans-67.4-25.9176.1-68.1-61.7000113.9I8 Q9 M10 I14I8-Y12 HydrophobicContact CG2-CD2 3.93Å; I8-Y12 HydrophobicContact CG2-CE2 3.51Å; I8-Y12 VanDerWaalsContact O-CD2 3.24Å; I8-Y12 WeakPolarHBondContact O-CD2 2.74Å; I8-Y12 PolarHBondContact O-N 3.25Å; Q9-Y12 PolarHBondContact O-N 3.24Å; M10-Y12 VanDerWaalsContact C-N 3.34Å; M10-Y12 PolarHBondContact O-N 2.97Å; Y12-I14 VanDerWaalsContact C-N 3.31Å
13D80.4Confident76.2Confident90 Ų9062.8 Ų62.848%0.48135%0.345SS..Hα-helixtrans-77-21.2173.8-66.6-11.7000112Q9 M10 F11 Y30Q9-D13 PolarHBondContact NE2-OD1 2.86Å; Q9-D13 VanDerWaalsContact NE2-OD1 3.14Å; Q9-D13 PolarHBondContact O-N 3.18Å; M10-D13 PolarHBondContact O-N 2.72Å; M10-D13 VanDerWaalsContact O-N 3.14Å; F11-D13 VanDerWaalsContact C-N 3.27Å; F11-D13 PolarHBondContact O-N 2.84Å; D13-Y30 HydrophobicContact CB-CE2 4.39Å
14I81.1Confident77.3Confident7 Ų759.6 Ų59.64%0.03633%0.326CS..Hα-helixtrans-90.2-42.5179.2-63.1156.3000111.2M10 F11 Y12 V16 V22 E26 L27 Y30M10-I14 HydrophobicContact CB-CD1 4.5Å; M10-I14 WeakPolarHBondContact O-CD1 3.23Å; M10-I14 WeakPolarHBondContact O-CG1 3.1Å; M10-I14 PolarHBondContact O-N 3.15Å; F11-I14 PolarHBondContact O-N 3.06Å; F11-I14 VanDerWaalsContact O-N 3.09Å; Y12-I14 VanDerWaalsContact C-N 3.31Å; I14-V16 VanDerWaalsContact C-N 3.25Å; I14-V16 WeakPolarHBondContact O-CG2 3.26Å; I14-V16 PolarHBondContact O-N 2.78Å; I14-V22 HydrophobicContact CB-CG1 4.42Å; I14-V22 HydrophobicContact CB-CG2 4.03Å; I14-V22 HydrophobicContact CG2-CB 4.29Å; I14-V22 HydrophobicContact CG2-CG1 3.4Å; I14-V22 VanDerWaalsContact CG2-CG1 3.4Å; I14-V22 HydrophobicContact CG2-CG2 3.84Å; I14-E26 HydrophobicContact CG2-CB 4.07Å; I14-L27 HydrophobicContact CD1-CD1 3.74Å; I14-L27 HydrophobicContact CG2-CB 4.36Å; I14-L27 HydrophobicContact CG2-CD1 4.39Å; I14-Y30 HydrophobicContact CB-CD2 4.48Å; I14-Y30 HydrophobicContact CB-CG 4.47Å; I14-Y30 HydrophobicContact CD1-CD1 3.89Å; I14-Y30 HydrophobicContact CD1-CD2 4.49Å; I14-Y30 HydrophobicContact CD1-CE1 4.06Å; I14-Y30 HydrophobicContact CD1-CG 4.13Å; I14-Y30 HydrophobicContact CG1-CD1 3.67Å; I14-Y30 HydrophobicContact CG1-CD2 3.47Å; I14-Y30 VanDerWaalsContact CG1-CD2 3.47Å; I14-Y30 HydrophobicContact CG1-CE1 4.04Å; I14-Y30 HydrophobicContact CG1-CE2 3.82Å; I14-Y30 HydrophobicContact CG1-CG 3.38Å
15D85Confident78.4Confident7 Ų761.2 Ų61.24%0.03734%0.335CS..  trans-68.380.2176.2178.611.4000109.4F11 D17 K18 S19 G20 V22F11-D15 WeakPolarHBondContact O-CB 3.31Å; F11-D15 PolarHBondContact O-N 2.83Å; D15-D17 VanDerWaalsContact C-N 3.35Å; D15-K18 PolarHBondContact O-N 2.89Å; D15-K18 WeakPolarHBondContact OD1-CA 3.48Å; D15-K18 PolarHBondContact OD1-N 2.94Å; D15-K18 WeakPolarHBondContact OD2-CA 3.5Å; D15-S19 PolarHBondContact OD1-N 2.93Å; D15-G20 VanDerWaalsContact OD2-CA 3.31Å; D15-G20 WeakPolarHBondContact OD2-CA 2.95Å; D15-G20 PolarHBondContact OD2-N 3.28Å; D15-V22 HydrophobicContact CB-CG2 3.9Å
16V80.3Confident79.2Confident120 Ų12058.7 Ų58.773%0.72732%0.321SS*.SBendtrans-70.9-38.5-173.1173.80000109.5I14 K18 E26I14-V16 VanDerWaalsContact C-N 3.25Å; I14-V16 WeakPolarHBondContact O-CG2 3.26Å; I14-V16 PolarHBondContact O-N 2.78Å; V16-K18 VanDerWaalsContact C-N 3.3Å; V16-E26 PolarHBondContact N-OE1 3.32Å
17D85Confident79.8Confident105 Ų10557 Ų5756%0.56131%0.306SS*.SBendtrans-80.7-11.1-179.184.1-10.6000113.7D15 S19 E26D15-D17 VanDerWaalsContact C-N 3.35Å; D17-S19 VanDerWaalsContact C-N 3.27Å; D17-S19 PolarHBondContact O-N 3.23Å; D17-S19 WeakPolarHBondContact OD1-CB 3.45Å; D17-S19 PolarHBondContact OD1-N 2.9Å; D17-S19 PolarHBondContact OD1-OG 2.79Å; D17-E26 PolarHBondContact N-OE1 3.45Å
18K81.9Confident80.7Confident176 Ų17661 Ų6177%0.76532%0.32SS*.  trans62.233.4-180-55.1-179.7-178.7178.90112.5D15 V16 G20D15-K18 PolarHBondContact O-N 2.89Å; D15-K18 WeakPolarHBondContact OD1-CA 3.48Å; D15-K18 PolarHBondContact OD1-N 2.94Å; D15-K18 WeakPolarHBondContact OD2-CA 3.5Å; V16-K18 VanDerWaalsContact C-N 3.3Å; K18-G20 PolarHBondContact O-N 3Å
19S85Confident81.3Confident73 Ų7364.6 Ų64.651%0.5134%0.336SS..  trans-69.3-16.6175.565.20000112.3D15 D17 A21D15-S19 PolarHBondContact OD1-N 2.93Å; D17-S19 VanDerWaalsContact C-N 3.27Å; D17-S19 PolarHBondContact O-N 3.23Å; D17-S19 WeakPolarHBondContact OD1-CB 3.45Å; D17-S19 PolarHBondContact OD1-N 2.9Å; D17-S19 PolarHBondContact OD1-OG 2.79Å; S19-A21 PolarHBondContact OG-N 3.46Å; S19-A21 PolarHBondContact OG-O 3.4Å
20G81.2Confident81.7Confident40 Ų4061.7 Ų61.741%0.41232%0.321SS..SBendtrans82.43.7-173.200000113.2D15 K18D15-G20 VanDerWaalsContact OD2-CA 3.31Å; D15-G20 WeakPolarHBondContact OD2-CA 2.95Å; D15-G20 PolarHBondContact OD2-N 3.28Å; K18-G20 PolarHBondContact O-N 3Å
21A83.7Confident81.8Confident19 Ų1959.6 Ų59.616%0.15731%0.311CS..EExtended strand (participates in β ladder)trans-128.3149.317000000107.9S19S19-A21 PolarHBondContact OG-N 3.46Å; S19-A21 PolarHBondContact OG-O 3.4Å
22V83.2Confident82Confident3 Ų362.5 Ų62.52%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-103117.9173.71650000107.6F11 I14 D15 E26 L27 I56F11-V22 HydrophobicContact CD1-CG2 4.44Å; F11-V22 HydrophobicContact CD2-CB 4.42Å; F11-V22 HydrophobicContact CD2-CG2 3.65Å; F11-V22 HydrophobicContact CE1-CG2 4.25Å; F11-V22 HydrophobicContact CE2-CB 3.91Å; F11-V22 HydrophobicContact CE2-CG2 3.44Å; F11-V22 VanDerWaalsContact CE2-CG2 3.44Å; F11-V22 HydrophobicContact CG-CG2 4.17Å; F11-V22 HydrophobicContact CZ-CB 4.36Å; F11-V22 HydrophobicContact CZ-CG2 3.77Å; I14-V22 HydrophobicContact CB-CG1 4.42Å; I14-V22 HydrophobicContact CB-CG2 4.03Å; I14-V22 HydrophobicContact CG2-CB 4.29Å; I14-V22 HydrophobicContact CG2-CG1 3.4Å; I14-V22 VanDerWaalsContact CG2-CG1 3.4Å; I14-V22 HydrophobicContact CG2-CG2 3.84Å; D15-V22 HydrophobicContact CB-CG2 3.9Å; V22-E26 WeakPolarHBondContact CA-OE2 3.27Å; V22-E26 HydrophobicContact CG1-CB 4.18Å; V22-L27 HydrophobicContact CG1-CB 3.65Å; V22-I56 HydrophobicContact CB-CB 4.42Å; V22-I56 PolarHBondContact N-O 3.32Å; V22-I56 WeakPolarHBondContact O-CA 3.32Å; V22-I56 WeakPolarHBondContact O-CB 3.49Å; V22-I56 PolarHBondContact O-N 2.9Å
23D85.5Confident81.8Confident43 Ų4364.7 Ų64.723%0.2334%0.338CS..EExtended strand (participates in β ladder)trans-76.6165.7175.176.253.7000111.9D25 E26 L27 M55D23-D25 PolarHBondContact O-N 3.24Å; D23-D25 VanDerWaalsContact OD1-CA 3.32Å; D23-D25 WeakPolarHBondContact OD1-CA 3.12Å; D23-D25 WeakPolarHBondContact OD1-CB 3.41Å; D23-D25 PolarHBondContact OD1-N 3.24Å; D23-E26 PolarHBondContact N-OE2 3.24Å; D23-E26 VanDerWaalsContact N-OE2 3.09Å; D23-E26 PolarHBondContact O-N 2.79Å; D23-E26 PolarHBondContact OD1-N 2.93Å; D23-L27 PolarHBondContact O-N 3.41Å; D23-L27 VanDerWaalsContact O-N 3.09Å; D23-M55 HydrophobicContact CB-CE 4.29Å; D23-M55 HydrophobicContact CB-SD 3.45Å; D23-M55 WeakPolarHBondContact CB-SD 3.44Å
24C80.4Confident81.4Confident31 Ų3165.7 Ų65.721%0.20934%0.338CS..Hα-helixtrans-60.4-33.7-178.3-770000113.7R28 L45 G54C24-R28 WeakPolarHBondContact O-CB 3.36Å; C24-R28 PolarHBondContact O-N 3.48Å; C24-R28 VanDerWaalsContact O-N 3.07Å; C24-L45 HydrophobicContact CB-CD1 4.15Å; C24-L45 HydrophobicContact CB-CD2 3.9Å; C24-G54 PolarHBondContact N-O 2.9Å; C24-G54 VanDerWaalsContact N-O 3.16Å; C24-G54 PolarHBondContact SG-O 3.39Å
25D84.5Confident80.8Confident108 Ų10874.3 Ų74.358%0.57838%0.378SS*.Hα-helixtrans-76.9-38.3-179.1-68.3-41.6000110.5D23 R28 E29D23-D25 PolarHBondContact O-N 3.24Å; D23-D25 VanDerWaalsContact OD1-CA 3.32Å; D23-D25 WeakPolarHBondContact OD1-CA 3.12Å; D23-D25 WeakPolarHBondContact OD1-CB 3.41Å; D23-D25 PolarHBondContact OD1-N 3.24Å; D25-R28 WeakPolarHBondContact O-CB 3.36Å; D25-R28 PolarHBondContact O-N 3.47Å; D25-E29 WeakPolarHBondContact O-CB 3.37Å; D25-E29 WeakPolarHBondContact O-CG 3.48Å; D25-E29 PolarHBondContact O-N 3.44Å
26E84.2Confident80Confident24 Ų2477 Ų7711%0.11239%0.39CS..Hα-helixtrans-60.7-50.8173.5-74.1-175.5132.100112.4I14 V16 D17 V22 D23 R28 E29 Y30I14-E26 HydrophobicContact CG2-CB 4.07Å; V16-E26 PolarHBondContact N-OE1 3.32Å; D17-E26 PolarHBondContact N-OE1 3.45Å; V22-E26 WeakPolarHBondContact CA-OE2 3.27Å; V22-E26 HydrophobicContact CG1-CB 4.18Å; D23-E26 PolarHBondContact N-OE2 3.24Å; D23-E26 VanDerWaalsContact N-OE2 3.09Å; D23-E26 PolarHBondContact O-N 2.79Å; D23-E26 PolarHBondContact OD1-N 2.93Å; E26-R28 VanDerWaalsContact C-N 3.26Å; E26-R28 PolarHBondContact O-N 3.34Å; E26-E29 PolarHBondContact O-N 2.74Å; E26-Y30 WeakPolarHBondContact O-CB 3.27Å; E26-Y30 PolarHBondContact O-N 3.2Å
27L79.7Confident79.3Confident8 Ų873 Ų734%0.04237%0.373CS..Hα-helixtrans-63.7-37.4177.1-176.962.9000111.1I14 V22 D23 L31 F44 L45 I56I14-L27 HydrophobicContact CD1-CD1 3.74Å; I14-L27 HydrophobicContact CG2-CB 4.36Å; I14-L27 HydrophobicContact CG2-CD1 4.39Å; V22-L27 HydrophobicContact CG1-CB 3.65Å; D23-L27 PolarHBondContact O-N 3.41Å; D23-L27 VanDerWaalsContact O-N 3.09Å; L27-L31 HydrophobicContact CD1-CD1 4.05Å; L27-L31 HydrophobicContact CD1-CG 4.07Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.84Å; L27-L31 HydrophobicContact CG-CG 4.25Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.2Å; L27-L31 PolarHBondContact O-N 3Å; L27-F44 HydrophobicContact CD2-CD1 3.75Å; L27-F44 HydrophobicContact CD2-CE1 4.13Å; L27-L45 HydrophobicContact CB-CD2 3.87Å; L27-L45 HydrophobicContact CD2-CD2 3.67Å; L27-L45 HydrophobicContact CD2-CG 4.36Å; L27-L45 HydrophobicContact CG-CD2 4.13Å; L27-I56 HydrophobicContact CD2-CD1 3.56Å
28R82.4Confident78.6Confident91 Ų9171.5 Ų71.534%0.34336%0.362SS..Hα-helixtrans-61.7-54.8176.8170.1170.9-166174.41.1111.5C24 D25 E26 Y30 L31 I32 E38 I41 L45C24-R28 WeakPolarHBondContact O-CB 3.36Å; C24-R28 PolarHBondContact O-N 3.48Å; C24-R28 VanDerWaalsContact O-N 3.07Å; D25-R28 WeakPolarHBondContact O-CB 3.36Å; D25-R28 PolarHBondContact O-N 3.47Å; E26-R28 VanDerWaalsContact C-N 3.26Å; E26-R28 PolarHBondContact O-N 3.34Å; R28-Y30 VanDerWaalsContact C-N 3.27Å; R28-Y30 PolarHBondContact O-N 3.17Å; R28-L31 PolarHBondContact O-N 3.22Å; R28-L31 VanDerWaalsContact O-N 3.09Å; R28-I32 HydrophobicContact CG-CD1 3.7Å; R28-I32 HydrophobicContact CG-CG1 4.29Å; R28-I32 VanDerWaalsContact O-CG1 3.29Å; R28-I32 WeakPolarHBondContact O-CG1 3.4Å; R28-I32 PolarHBondContact O-N 3.46Å; R28-E38 IonicContact CZ-OE1 3.33Å; R28-E38 IonicContact CZ-OE2 3.04Å; R28-E38 IonicContact NE-OE1 2.99Å; R28-E38 PolarHBondContact NE-OE1 3.29Å; R28-E38 IonicContact NE-OE2 2.81Å; R28-E38 PolarHBondContact NE-OE2 3.17Å; R28-E38 IonicContact NH2-OE1 2.9Å; R28-E38 PolarHBondContact NH2-OE1 2.89Å; R28-E38 IonicContact NH2-OE2 3.18Å; R28-E38 PolarHBondContact NH2-OE2 2.83Å; R28-I41 HydrophobicContact CB-CG2 3.68Å; R28-I41 HydrophobicContact CG-CG2 3.85Å; R28-L45 HydrophobicContact CB-CD1 4.42Å
29E83.1Confident77.8Confident126 Ų12666 Ų6659%0.58935%0.345SS*.Hα-helixtrans-57.7-42179.2-76.3-66.3115.200111.4D25 E26 I32 K33D25-E29 WeakPolarHBondContact O-CB 3.37Å; D25-E29 WeakPolarHBondContact O-CG 3.48Å; D25-E29 PolarHBondContact O-N 3.44Å; E26-E29 PolarHBondContact O-N 2.74Å; E29-I32 PolarHBondContact O-N 3.4Å; E29-K33 VanDerWaalsContact O-CB 3.28Å; E29-K33 WeakPolarHBondContact O-CB 3.43Å; E29-K33 PolarHBondContact O-N 2.77Å
30Y81.1Confident77Confident35 Ų3563.3 Ų63.314%0.13733%0.325CS..Hα-helixtrans-60.4-47.8174.6-179.7-93.1000112.2M10 D13 I14 E26 R28 K33 K34M10-Y30 WeakPolarHBondContact CG-OH 3.47Å; M10-Y30 PolarHBondContact SD-OH 3.03Å; D13-Y30 HydrophobicContact CB-CE2 4.39Å; I14-Y30 HydrophobicContact CB-CD2 4.48Å; I14-Y30 HydrophobicContact CB-CG 4.47Å; I14-Y30 HydrophobicContact CD1-CD1 3.89Å; I14-Y30 HydrophobicContact CD1-CD2 4.49Å; I14-Y30 HydrophobicContact CD1-CE1 4.06Å; I14-Y30 HydrophobicContact CD1-CG 4.13Å; I14-Y30 HydrophobicContact CG1-CD1 3.67Å; I14-Y30 HydrophobicContact CG1-CD2 3.47Å; I14-Y30 VanDerWaalsContact CG1-CD2 3.47Å; I14-Y30 HydrophobicContact CG1-CE1 4.04Å; I14-Y30 HydrophobicContact CG1-CE2 3.82Å; I14-Y30 HydrophobicContact CG1-CG 3.38Å; E26-Y30 WeakPolarHBondContact O-CB 3.27Å; E26-Y30 PolarHBondContact O-N 3.2Å; R28-Y30 VanDerWaalsContact C-N 3.27Å; R28-Y30 PolarHBondContact O-N 3.17Å; Y30-K33 WeakPolarHBondContact O-CB 3.33Å; Y30-K33 PolarHBondContact O-N 2.85Å; Y30-K34 HydrophobicContact CD1-CG 4.1Å; Y30-K34 HydrophobicContact CE1-CD 4.5Å; Y30-K34 HydrophobicContact CE1-CG 3.76Å; Y30-K34 WeakPolarHBondContact O-CG 3.44Å; Y30-K34 PolarHBondContact O-N 2.74Å; Y30-K34 WeakPolarHBondContact OH-CE 3.43Å
31L76Confident76.6Confident10 Ų1061.4 Ų61.45%0.05231%0.305CS..Hα-helixtrans-69.9-36.8-178.3-71176.4000112.2L27 R28 K33 K34 E35 F36 F40 I41 F44L27-L31 HydrophobicContact CD1-CD1 4.05Å; L27-L31 HydrophobicContact CD1-CG 4.07Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.84Å; L27-L31 HydrophobicContact CG-CG 4.25Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.2Å; L27-L31 PolarHBondContact O-N 3Å; R28-L31 PolarHBondContact O-N 3.22Å; R28-L31 VanDerWaalsContact O-N 3.09Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 3.26Å; L31-K34 CarbonylContact O-C 3.44Å; L31-K34 WeakPolarHBondContact O-CA 3.5Å; L31-K34 PolarHBondContact O-N 2.78Å; L31-K34 VanDerWaalsContact O-N 3.09Å; L31-E35 PolarHBondContact O-N 2.89Å; L31-F36 HydrophobicContact CB-CB 4.2Å; L31-F36 HydrophobicContact CB-CD2 4.28Å; L31-F36 HydrophobicContact CD2-CD2 3.71Å; L31-F36 HydrophobicContact CD2-CE2 4Å; L31-F36 HydrophobicContact CD2-CG 4.34Å; L31-F36 WeakPolarHBondContact O-CB 3.35Å; L31-F36 WeakPolarHBondContact O-CD2 3.23Å; L31-F36 PolarHBondContact O-N 2.71Å; L31-F40 HydrophobicContact CD1-CE1 4.31Å; L31-F40 HydrophobicContact CD2-CE1 4.41Å; L31-I41 HydrophobicContact CB-CD1 3.66Å; L31-I41 HydrophobicContact CB-CG1 3.58Å; L31-I41 HydrophobicContact CD1-CB 4.44Å; L31-I41 HydrophobicContact CD1-CG1 4.04Å; L31-I41 HydrophobicContact CD1-CG2 4.28Å; L31-I41 HydrophobicContact CG-CG1 4.48Å; L31-F44 HydrophobicContact CD1-CB 4.31Å; L31-F44 HydrophobicContact CD1-CD1 3.87Å; L31-F44 HydrophobicContact CD1-CG 4.27Å
32I77.3Confident76.1Confident64 Ų6463.9 Ų63.933%0.32832%0.318SS..Hα-helixtrans-58.3-46.1171.2-67.9171.2000109.4R28 E29 K34 E35 E38 I41R28-I32 HydrophobicContact CG-CD1 3.7Å; R28-I32 HydrophobicContact CG-CG1 4.29Å; R28-I32 VanDerWaalsContact O-CG1 3.29Å; R28-I32 WeakPolarHBondContact O-CG1 3.4Å; R28-I32 PolarHBondContact O-N 3.46Å; E29-I32 PolarHBondContact O-N 3.4Å; I32-K34 PolarHBondContact O-N 3.14Å; I32-E35 WeakPolarHBondContact O-CA 3.29Å; I32-E35 PolarHBondContact O-N 2.84Å; I32-E38 VanDerWaalsContact CD1-OE1 3.3Å; I32-E38 WeakPolarHBondContact CD1-OE1 3.29Å; I32-I41 HydrophobicContact CB-CD1 4.3Å; I32-I41 HydrophobicContact CD1-CD1 4.4Å; I32-I41 HydrophobicContact CG1-CD1 3.37Å
33K77.9Confident75.4Confident178 Ų17867.3 Ų67.377%0.77433%0.331SS*.Hα-helixtrans-64.4-25177.5-173.6177.2-178.7178.70113.1E29 Y30 L31E29-K33 VanDerWaalsContact O-CB 3.28Å; E29-K33 WeakPolarHBondContact O-CB 3.43Å; E29-K33 PolarHBondContact O-N 2.77Å; Y30-K33 WeakPolarHBondContact O-CB 3.33Å; Y30-K33 PolarHBondContact O-N 2.85Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 3.26Å
34K71.1Confident74.8Confident111 Ų11166.2 Ų66.248%0.48332%0.324SS..THydrogen-bonded Turntrans-8713.6171.4-64.5-62.3-176.4-177.60113.1Y30 L31 I32 F36Y30-K34 HydrophobicContact CD1-CG 4.1Å; Y30-K34 HydrophobicContact CE1-CD 4.5Å; Y30-K34 HydrophobicContact CE1-CG 3.76Å; Y30-K34 WeakPolarHBondContact O-CG 3.44Å; Y30-K34 PolarHBondContact O-N 2.74Å; Y30-K34 WeakPolarHBondContact OH-CE 3.43Å; L31-K34 CarbonylContact O-C 3.44Å; L31-K34 WeakPolarHBondContact O-CA 3.5Å; L31-K34 PolarHBondContact O-N 2.78Å; L31-K34 VanDerWaalsContact O-N 3.09Å; I32-K34 PolarHBondContact O-N 3.14Å; K34-F36 HydrophobicContact CB-CD2 3.6Å; K34-F36 HydrophobicContact CB-CE2 3.66Å; K34-F36 PolarHBondContact O-N 2.9Å
35E69.2Low74.6Confident188 Ų18865.5 Ų65.588%0.87932%0.318SS*.THydrogen-bonded Turntrans62.326.6178.7-54.8179.511400113.6L31 I32L31-E35 PolarHBondContact O-N 2.89Å; I32-E35 WeakPolarHBondContact O-CA 3.29Å; I32-E35 PolarHBondContact O-N 2.84Å
36F66.7Low74.1Confident64 Ų6468.7 Ų68.728%0.28132%0.322SS..  trans-81.1140.9166.8-67.1-85.2000110.3L31 K34 F40 I41 Y75L31-F36 HydrophobicContact CB-CB 4.2Å; L31-F36 HydrophobicContact CB-CD2 4.28Å; L31-F36 HydrophobicContact CD2-CD2 3.71Å; L31-F36 HydrophobicContact CD2-CE2 4Å; L31-F36 HydrophobicContact CD2-CG 4.34Å; L31-F36 WeakPolarHBondContact O-CB 3.35Å; L31-F36 WeakPolarHBondContact O-CD2 3.23Å; L31-F36 PolarHBondContact O-N 2.71Å; K34-F36 HydrophobicContact CB-CD2 3.6Å; K34-F36 HydrophobicContact CB-CE2 3.66Å; K34-F36 PolarHBondContact O-N 2.9Å; F36-F40 HydrophobicContact CB-CD1 3.73Å; F36-F40 HydrophobicContact CB-CE1 4.31Å; F36-F40 AromaticContact CD1-CD1 3.46Å; F36-F40 HydrophobicContact CD1-CD1 3.46Å; F36-F40 VanDerWaalsContact CD1-CD1 3.46Å; F36-F40 AromaticContact CD1-CE1 3.44Å; F36-F40 HydrophobicContact CD1-CE1 3.44Å; F36-F40 VanDerWaalsContact CD1-CE1 3.44Å; F36-F40 HydrophobicContact CD1-CG 4.14Å; F36-F40 HydrophobicContact CD1-CZ 4.1Å; F36-F40 HydrophobicContact CE1-CD1 4.3Å; F36-F40 AromaticContact CE1-CE1 3.83Å; F36-F40 HydrophobicContact CE1-CE1 3.83Å; F36-F40 HydrophobicContact CE1-CZ 4.13Å; F36-F40 AromaticContact CG-CD1 3.77Å; F36-F40 HydrophobicContact CG-CD1 3.77Å; F36-F40 AromaticContact CG-CE1 3.87Å; F36-F40 HydrophobicContact CG-CE1 3.87Å; F36-I41 HydrophobicContact CB-CG1 4.25Å; F36-Y75 HydrophobicContact CD1-CD1 4.48Å; F36-Y75 AromaticContact CD1-CE1 3.82Å; F36-Y75 HydrophobicContact CD1-CE1 3.82Å; F36-Y75 HydrophobicContact CE1-CD1 4.05Å; F36-Y75 AromaticContact CE1-CE1 3.76Å; F36-Y75 HydrophobicContact CE1-CE1 3.76Å
37G65.4Low73.4Confident36 Ų3669.3 Ų69.337%0.37133%0.327SS..  trans-76.9150.9177.900000113C39 F40 I41G37-C39 VanDerWaalsContact C-N 3.28Å; G37-C39 PolarHBondContact O-N 2.64Å; G37-C39 VanDerWaalsContact O-N 3.16Å; G37-F40 WeakPolarHBondContact O-CA 3.38Å; G37-F40 WeakPolarHBondContact O-CB 3.38Å; G37-F40 PolarHBondContact O-N 2.76Å; G37-I41 WeakPolarHBondContact O-CG1 3.46Å; G37-I41 PolarHBondContact O-N 3.28Å; G37-I41 VanDerWaalsContact O-N 3.15Å
38E71.1Confident73Confident73 Ų7369 Ų6934%0.34133%0.326SS..Hα-helixtrans-50.8-39.8-178.1-80-69.4-177.700115R28 I32 F40 I41 T42R28-E38 IonicContact CZ-OE1 3.33Å; R28-E38 IonicContact CZ-OE2 3.04Å; R28-E38 IonicContact NE-OE1 2.99Å; R28-E38 PolarHBondContact NE-OE1 3.29Å; R28-E38 IonicContact NE-OE2 2.81Å; R28-E38 PolarHBondContact NE-OE2 3.17Å; R28-E38 IonicContact NH2-OE1 2.9Å; R28-E38 PolarHBondContact NH2-OE1 2.89Å; R28-E38 IonicContact NH2-OE2 3.18Å; R28-E38 PolarHBondContact NH2-OE2 2.83Å; I32-E38 VanDerWaalsContact CD1-OE1 3.3Å; I32-E38 WeakPolarHBondContact CD1-OE1 3.29Å; E38-F40 VanDerWaalsContact C-N 3.33Å; E38-F40 PolarHBondContact O-N 3.02Å; E38-I41 PolarHBondContact O-N 3.04Å; E38-T42 WeakPolarHBondContact O-CB 3.43Å; E38-T42 PolarHBondContact O-N 3.32Å; E38-T42 PolarHBondContact O-OG1 3.04Å
39C66.2Low72.8Confident60 Ų6065.5 Ų65.541%0.40531%0.314SS..Hα-helixtrans-63.7-37.7177-69.60000112.5G37 R43 Y133G37-C39 VanDerWaalsContact C-N 3.28Å; G37-C39 PolarHBondContact O-N 2.64Å; G37-C39 VanDerWaalsContact O-N 3.16Å; C39-R43 WeakPolarHBondContact O-CB 3.47Å; C39-R43 PolarHBondContact O-N 3.03Å; C39-Y133 HydrophobicContact CB-CD1 3.42Å; C39-Y133 VanDerWaalsContact CB-CD1 3.42Å; C39-Y133 HydrophobicContact CB-CE1 3.35Å
40F66.4Low72.1Confident18 Ų1863.4 Ų63.48%0.07931%0.313CS..Hα-helixtrans-65.3-47.6174.1173.5-101.9000110.3L31 F36 G37 E38 T42 R43 F44 Y75L31-F40 HydrophobicContact CD1-CE1 4.31Å; L31-F40 HydrophobicContact CD2-CE1 4.41Å; F36-F40 HydrophobicContact CB-CD1 3.73Å; F36-F40 HydrophobicContact CB-CE1 4.31Å; F36-F40 AromaticContact CD1-CD1 3.46Å; F36-F40 HydrophobicContact CD1-CD1 3.46Å; F36-F40 VanDerWaalsContact CD1-CD1 3.46Å; F36-F40 AromaticContact CD1-CE1 3.44Å; F36-F40 HydrophobicContact CD1-CE1 3.44Å; F36-F40 VanDerWaalsContact CD1-CE1 3.44Å; F36-F40 HydrophobicContact CD1-CG 4.14Å; F36-F40 HydrophobicContact CD1-CZ 4.1Å; F36-F40 HydrophobicContact CE1-CD1 4.3Å; F36-F40 AromaticContact CE1-CE1 3.83Å; F36-F40 HydrophobicContact CE1-CE1 3.83Å; F36-F40 HydrophobicContact CE1-CZ 4.13Å; F36-F40 AromaticContact CG-CD1 3.77Å; F36-F40 HydrophobicContact CG-CD1 3.77Å; F36-F40 AromaticContact CG-CE1 3.87Å; F36-F40 HydrophobicContact CG-CE1 3.87Å; G37-F40 WeakPolarHBondContact O-CA 3.38Å; G37-F40 WeakPolarHBondContact O-CB 3.38Å; G37-F40 PolarHBondContact O-N 2.76Å; E38-F40 VanDerWaalsContact C-N 3.33Å; E38-F40 PolarHBondContact O-N 3.02Å; F40-T42 PolarHBondContact O-N 2.98Å; F40-R43 CarbonylContact O-C 3.57Å; F40-R43 PolarHBondContact O-N 3.47Å; F40-R43 VanDerWaalsContact O-N 3.12Å; F40-F44 HydrophobicContact CD1-CB 4.44Å; F40-F44 HydrophobicContact CE1-CB 4.18Å; F40-F44 AromaticContact CE1-CD2 3.89Å; F40-F44 HydrophobicContact CE1-CD2 3.89Å; F40-F44 HydrophobicContact CE1-CG 4.11Å; F40-F44 HydrophobicContact CE2-CD2 4.06Å; F40-F44 HydrophobicContact CZ-CB 4.38Å; F40-F44 AromaticContact CZ-CD2 3.44Å; F40-F44 HydrophobicContact CZ-CD2 3.44Å; F40-F44 VanDerWaalsContact CZ-CD2 3.44Å; F40-F44 AromaticContact CZ-CE2 3.94Å; F40-F44 HydrophobicContact CZ-CE2 3.94Å; F40-F44 HydrophobicContact CZ-CG 4.12Å; F40-F44 VanDerWaalsContact O-CB 3.3Å; F40-F44 WeakPolarHBondContact O-CB 3.23Å; F40-F44 PolarHBondContact O-N 3.02Å; F40-Y75 HydrophobicContact CB-CE2 4.01Å; F40-Y75 HydrophobicContact CD2-CD1 4.48Å; F40-Y75 AromaticContact CD2-CD2 3.25Å; F40-Y75 HydrophobicContact CD2-CD2 3.25Å; F40-Y75 HydrophobicContact CD2-CE1 4.4Å; F40-Y75 AromaticContact CD2-CE2 3.13Å; F40-Y75 HydrophobicContact CD2-CE2 3.13Å; F40-Y75 AromaticContact CD2-CG 3.95Å; F40-Y75 HydrophobicContact CD2-CG 3.95Å; F40-Y75 AromaticContact CD2-CZ 3.76Å; F40-Y75 HydrophobicContact CE2-CD1 4.19Å; F40-Y75 AromaticContact CE2-CD2 3.37Å; F40-Y75 HydrophobicContact CE2-CD2 3.37Å; F40-Y75 HydrophobicContact CE2-CE1 4.49Å; F40-Y75 AromaticContact CE2-CE2 3.72Å; F40-Y75 HydrophobicContact CE2-CE2 3.72Å; F40-Y75 AromaticContact CE2-CG 3.61Å; F40-Y75 HydrophobicContact CE2-CG 3.61Å; F40-Y75 HydrophobicContact CG-CD2 4.28Å; F40-Y75 AromaticContact CG-CE2 3.76Å; F40-Y75 HydrophobicContact CG-CE2 3.76Å; F40-Y75 HydrophobicContact CZ-CD2 4.47Å; F40-Y75 HydrophobicContact CZ-CG 4.4Å
41I72.7Confident72Confident0 Ų066 Ų660%033%0.33CS..Hα-helixtrans-59.4-51.1-176.9-63177.4000110.6R28 L31 I32 F36 G37 E38 R43 F44 L45R28-I41 HydrophobicContact CB-CG2 3.68Å; R28-I41 HydrophobicContact CG-CG2 3.85Å; L31-I41 HydrophobicContact CB-CD1 3.66Å; L31-I41 HydrophobicContact CB-CG1 3.58Å; L31-I41 HydrophobicContact CD1-CB 4.44Å; L31-I41 HydrophobicContact CD1-CG1 4.04Å; L31-I41 HydrophobicContact CD1-CG2 4.28Å; L31-I41 HydrophobicContact CG-CG1 4.48Å; I32-I41 HydrophobicContact CB-CD1 4.3Å; I32-I41 HydrophobicContact CD1-CD1 4.4Å; I32-I41 HydrophobicContact CG1-CD1 3.37Å; F36-I41 HydrophobicContact CB-CG1 4.25Å; G37-I41 WeakPolarHBondContact O-CG1 3.46Å; G37-I41 PolarHBondContact O-N 3.28Å; G37-I41 VanDerWaalsContact O-N 3.15Å; E38-I41 PolarHBondContact O-N 3.04Å; I41-R43 PolarHBondContact O-N 2.82Å; I41-F44 PolarHBondContact O-N 3.06Å; I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 HydrophobicContact CG2-CG 4.27Å; I41-L45 WeakPolarHBondContact O-CB 3.24Å; I41-L45 WeakPolarHBondContact O-CG 3.3Å; I41-L45 PolarHBondContact O-N 3.01Å
42T74.4Confident71.8Confident70 Ų7075.5 Ų75.543%0.42937%0.365SS..Hα-helixtrans-54.9-39.5177.5-59.40000111.4E38 F40 R46E38-T42 WeakPolarHBondContact O-CB 3.43Å; E38-T42 PolarHBondContact O-N 3.32Å; E38-T42 PolarHBondContact O-OG1 3.04Å; F40-T42 PolarHBondContact O-N 2.98Å; T42-R46 WeakPolarHBondContact O-CG 3.48Å; T42-R46 PolarHBondContact O-N 3.2Å
43R69.3Low72.1Confident75 Ų7576.8 Ų76.828%0.28337%0.372SS..Hα-helixtrans-76.8-35.5178.9-168.157.6165.3-143.1-12.2112.6C39 F40 I41 T47 D138 L141C39-R43 WeakPolarHBondContact O-CB 3.47Å; C39-R43 PolarHBondContact O-N 3.03Å; F40-R43 CarbonylContact O-C 3.57Å; F40-R43 PolarHBondContact O-N 3.47Å; F40-R43 VanDerWaalsContact O-N 3.12Å; I41-R43 PolarHBondContact O-N 2.82Å; R43-T47 PolarHBondContact O-N 2.91Å; R43-T47 PolarHBondContact O-OG1 3.19Å; R43-D138 IonicContact CZ-OD1 3.53Å; R43-D138 IonicContact NH1-OD1 3.83Å; R43-D138 IonicContact NH2-OD1 2.9Å; R43-D138 PolarHBondContact NH2-OD1 3.11Å; R43-L141 HydrophobicContact CG-CD1 3.95Å
44F71.9Confident72Confident20 Ų2069.5 Ų69.59%0.08835%0.348CS..Hα-helixtrans-65.6-50.2177.7-160.5-97.3000109.8L27 L31 F40 I41 R46 T47 F48 I68L27-F44 HydrophobicContact CD2-CD1 3.75Å; L27-F44 HydrophobicContact CD2-CE1 4.13Å; L31-F44 HydrophobicContact CD1-CB 4.31Å; L31-F44 HydrophobicContact CD1-CD1 3.87Å; L31-F44 HydrophobicContact CD1-CG 4.27Å; F40-F44 HydrophobicContact CD1-CB 4.44Å; F40-F44 HydrophobicContact CE1-CB 4.18Å; F40-F44 AromaticContact CE1-CD2 3.89Å; F40-F44 HydrophobicContact CE1-CD2 3.89Å; F40-F44 HydrophobicContact CE1-CG 4.11Å; F40-F44 HydrophobicContact CE2-CD2 4.06Å; F40-F44 HydrophobicContact CZ-CB 4.38Å; F40-F44 AromaticContact CZ-CD2 3.44Å; F40-F44 HydrophobicContact CZ-CD2 3.44Å; F40-F44 VanDerWaalsContact CZ-CD2 3.44Å; F40-F44 AromaticContact CZ-CE2 3.94Å; F40-F44 HydrophobicContact CZ-CE2 3.94Å; F40-F44 HydrophobicContact CZ-CG 4.12Å; F40-F44 VanDerWaalsContact O-CB 3.3Å; F40-F44 WeakPolarHBondContact O-CB 3.23Å; F40-F44 PolarHBondContact O-N 3.02Å; I41-F44 PolarHBondContact O-N 3.06Å; F44-R46 VanDerWaalsContact C-N 3.33Å; F44-R46 PolarHBondContact O-N 3.42Å; F44-T47 WeakPolarHBondContact O-CA 3.07Å; F44-T47 VanDerWaalsContact O-CB 3.29Å; F44-T47 WeakPolarHBondContact O-CB 3.13Å; F44-T47 PolarHBondContact O-N 3.21Å; F44-F48 AromaticContact CD1-CD2 3.69Å; F44-F48 HydrophobicContact CD1-CD2 3.69Å; F44-F48 AromaticContact CD1-CE2 3.62Å; F44-F48 HydrophobicContact CD1-CE2 3.62Å; F44-F48 HydrophobicContact CD2-CE2 4.17Å; F44-F48 AromaticContact CE1-CD2 3.62Å; F44-F48 HydrophobicContact CE1-CD2 3.62Å; F44-F48 AromaticContact CE1-CE2 3.24Å; F44-F48 HydrophobicContact CE1-CE2 3.24Å; F44-F48 HydrophobicContact CE1-CZ 4.11Å; F44-F48 AromaticContact CE2-CE2 3.85Å; F44-F48 HydrophobicContact CE2-CE2 3.85Å; F44-F48 HydrophobicContact CG-CD2 4.35Å; F44-F48 HydrophobicContact CG-CE2 4.08Å; F44-F48 HydrophobicContact CZ-CD2 4.23Å; F44-F48 AromaticContact CZ-CE2 3.39Å; F44-F48 HydrophobicContact CZ-CE2 3.39Å; F44-F48 AromaticContact CZ-CZ 3.98Å; F44-F48 HydrophobicContact CZ-CZ 3.98Å; F44-F48 VanDerWaalsContact O-CD2 3.23Å; F44-F48 WeakPolarHBondContact O-CD2 3.15Å; F44-F48 PolarHBondContact O-N 3.16Å; F44-I68 HydrophobicContact CE1-CD1 4.37Å; F44-I68 HydrophobicContact CE2-CG1 4.2Å; F44-I68 HydrophobicContact CE2-CG2 4.19Å; F44-I68 HydrophobicContact CZ-CB 4.41Å; F44-I68 HydrophobicContact CZ-CD1 3.76Å; F44-I68 HydrophobicContact CZ-CG1 3.66Å; F44-I68 HydrophobicContact CZ-CG2 3.96Å
45L75.5Confident72.6Confident17 Ų1768.3 Ų68.39%0.08935%0.345CS..Hα-helixtrans-48.4-52.7173.1-75.9171.5000112.1C24 L27 R28 I41 T47 F48 D49 I56C24-L45 HydrophobicContact CB-CD1 4.15Å; C24-L45 HydrophobicContact CB-CD2 3.9Å; L27-L45 HydrophobicContact CB-CD2 3.87Å; L27-L45 HydrophobicContact CD2-CD2 3.67Å; L27-L45 HydrophobicContact CD2-CG 4.36Å; L27-L45 HydrophobicContact CG-CD2 4.13Å; R28-L45 HydrophobicContact CB-CD1 4.42Å; I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 HydrophobicContact CG2-CG 4.27Å; I41-L45 WeakPolarHBondContact O-CB 3.24Å; I41-L45 WeakPolarHBondContact O-CG 3.3Å; I41-L45 PolarHBondContact O-N 3.01Å; L45-T47 PolarHBondContact O-N 3.26Å; L45-F48 PolarHBondContact O-N 2.77Å; L45-F48 VanDerWaalsContact O-N 3.13Å; L45-D49 WeakPolarHBondContact O-CB 3.47Å; L45-D49 PolarHBondContact O-N 3.06Å; L45-I56 HydrophobicContact CD2-CD1 4.06Å
46R74.5Confident73.2Confident174 Ų17459.5 Ų59.566%0.65730%0.304SS*.Hα-helixtrans-59.7-19.1176.6-79.3-176.6168.1-148.50.6115.3T42 F44T42-R46 WeakPolarHBondContact O-CG 3.48Å; T42-R46 PolarHBondContact O-N 3.2Å; F44-R46 VanDerWaalsContact C-N 3.33Å; F44-R46 PolarHBondContact O-N 3.42Å
47T70.1Confident73.9Confident37 Ų3758.6 Ų58.623%0.22730%0.303CS..Hα-helixtrans-86.5-29.6-179.5-54.30000112.1R43 F44 L45 L71R43-T47 PolarHBondContact O-N 2.91Å; R43-T47 PolarHBondContact O-OG1 3.19Å; F44-T47 WeakPolarHBondContact O-CA 3.07Å; F44-T47 VanDerWaalsContact O-CB 3.29Å; F44-T47 WeakPolarHBondContact O-CB 3.13Å; F44-T47 PolarHBondContact O-N 3.21Å; L45-T47 PolarHBondContact O-N 3.26Å; T47-L71 HydrophobicContact CG2-CD1 3.72Å
48F71.1Confident74.5Confident1 Ų159.9 Ų59.90%0.00430%0.299CS..Hα-helixtrans-84.8-50.2177.4-75.9-79.3000111.2F44 L45 S50 I56 Y61 I68F44-F48 AromaticContact CD1-CD2 3.69Å; F44-F48 HydrophobicContact CD1-CD2 3.69Å; F44-F48 AromaticContact CD1-CE2 3.62Å; F44-F48 HydrophobicContact CD1-CE2 3.62Å; F44-F48 HydrophobicContact CD2-CE2 4.17Å; F44-F48 AromaticContact CE1-CD2 3.62Å; F44-F48 HydrophobicContact CE1-CD2 3.62Å; F44-F48 AromaticContact CE1-CE2 3.24Å; F44-F48 HydrophobicContact CE1-CE2 3.24Å; F44-F48 HydrophobicContact CE1-CZ 4.11Å; F44-F48 AromaticContact CE2-CE2 3.85Å; F44-F48 HydrophobicContact CE2-CE2 3.85Å; F44-F48 HydrophobicContact CG-CD2 4.35Å; F44-F48 HydrophobicContact CG-CE2 4.08Å; F44-F48 HydrophobicContact CZ-CD2 4.23Å; F44-F48 AromaticContact CZ-CE2 3.39Å; F44-F48 HydrophobicContact CZ-CE2 3.39Å; F44-F48 AromaticContact CZ-CZ 3.98Å; F44-F48 HydrophobicContact CZ-CZ 3.98Å; F44-F48 VanDerWaalsContact O-CD2 3.23Å; F44-F48 WeakPolarHBondContact O-CD2 3.15Å; F44-F48 PolarHBondContact O-N 3.16Å; L45-F48 PolarHBondContact O-N 2.77Å; L45-F48 VanDerWaalsContact O-N 3.13Å; F48-S50 PolarHBondContact O-N 3.2Å; F48-S50 PolarHBondContact O-OG 3.12Å; F48-I56 HydrophobicContact CB-CB 4.42Å; F48-I56 HydrophobicContact CB-CD1 3.54Å; F48-I56 HydrophobicContact CB-CG1 3.72Å; F48-I56 HydrophobicContact CB-CG2 3.82Å; F48-I56 HydrophobicContact CD1-CG2 4.28Å; F48-I56 HydrophobicContact CG-CD1 4.23Å; F48-I56 HydrophobicContact CG-CG2 4.32Å; F48-Y61 HydrophobicContact CD1-CD2 4.19Å; F48-Y61 HydrophobicContact CE1-CD2 4.27Å; F48-I68 HydrophobicContact CE1-CD1 3.62Å; F48-I68 HydrophobicContact CE1-CG1 3.7Å; F48-I68 HydrophobicContact CE2-CD1 4.14Å; F48-I68 HydrophobicContact CE2-CG1 3.84Å; F48-I68 HydrophobicContact CZ-CB 4.43Å; F48-I68 HydrophobicContact CZ-CD1 3.37Å; F48-I68 HydrophobicContact CZ-CG1 3.02Å
49D77.1Confident75Confident18 Ų1863.2 Ų63.210%0.09631%0.314CS..  trans-72.876-179.2-177.713.5000110.4L45 N51 R52 D53 G54 I56L45-D49 WeakPolarHBondContact O-CB 3.47Å; L45-D49 PolarHBondContact O-N 3.06Å; D49-N51 PolarHBondContact OD1-OD1 3.1Å; D49-R52 VanDerWaalsContact CG-CA 3.45Å; D49-R52 WeakPolarHBondContact OD1-CA 3.44Å; D49-R52 PolarHBondContact OD1-N 2.85Å; D49-R52 WeakPolarHBondContact OD2-CA 3.36Å; D49-D53 PolarHBondContact OD1-N 3.11Å; D49-G54 WeakPolarHBondContact OD2-CA 3.06Å; D49-G54 PolarHBondContact OD2-N 3.49Å; D49-I56 HydrophobicContact CB-CG1 4.45Å
50S70.4Confident75.6Confident82 Ų8261.5 Ų61.557%0.57330%0.301SS*.SBendtrans-77.2-32.4-174.2-640000111.1F48 R52F48-S50 PolarHBondContact O-N 3.2Å; F48-S50 PolarHBondContact O-OG 3.12Å; S50-R52 VanDerWaalsContact C-N 3.34Å
51N78.6Confident76.1Confident90 Ų9061.2 Ų61.248%0.48130%0.299SS..SBendtrans-82.3-12.8175.170.10.3000112.6D49 D53 E60D49-N51 PolarHBondContact OD1-OD1 3.1Å; N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 PolarHBondContact ND2-OD2 2.78Å; N51-D53 PolarHBondContact OD1-N 3.08Å; N51-D53 VanDerWaalsContact OD1-N 3.08Å; N51-D53 PolarHBondContact OD1-OD1 3.41Å; N51-E60 PolarHBondContact OD1-OE1 2.76Å
52R71.6Confident76.2Confident210 Ų21065.4 Ų65.479%0.79232%0.319SS*.  trans62.733.4179.6-56.8-175.7-175.8179.52.9113.3D49 S50 G54D49-R52 VanDerWaalsContact CG-CA 3.45Å; D49-R52 WeakPolarHBondContact OD1-CA 3.44Å; D49-R52 PolarHBondContact OD1-N 2.85Å; D49-R52 WeakPolarHBondContact OD2-CA 3.36Å; S50-R52 VanDerWaalsContact C-N 3.34Å; R52-G54 VanDerWaalsContact C-N 3.3Å
53D82.9Confident76.2Confident90 Ų9066.4 Ų66.448%0.48133%0.325SS..SBendtrans-87-4.9176.1735.9000112.7D49 N51 M55D49-D53 PolarHBondContact OD1-N 3.11Å; N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 PolarHBondContact ND2-OD2 2.78Å; N51-D53 PolarHBondContact OD1-N 3.08Å; N51-D53 VanDerWaalsContact OD1-N 3.08Å; N51-D53 PolarHBondContact OD1-OD1 3.41Å; D53-M55 VanDerWaalsContact C-N 3.27Å; D53-M55 WeakPolarHBondContact OD1-CA 3.24Å; D53-M55 WeakPolarHBondContact OD1-CB 3.41Å; D53-M55 PolarHBondContact OD1-N 3.28Å
54G76.9Confident76.3Confident25 Ų2562.9 Ų62.926%0.25831%0.312SS..SBendtrans82.72.1-179.400000113.9C24 D49 R52C24-G54 PolarHBondContact N-O 2.9Å; C24-G54 VanDerWaalsContact N-O 3.16Å; C24-G54 PolarHBondContact SG-O 3.39Å; D49-G54 WeakPolarHBondContact OD2-CA 3.06Å; D49-G54 PolarHBondContact OD2-N 3.49Å; R52-G54 VanDerWaalsContact C-N 3.3Å
55M82Confident76.1Confident87 Ų8762.4 Ų62.443%0.42931%0.31SS..EExtended strand (participates in β ladder)trans-115.9142.6177.4-62.1-65.6-161.600109.4D23 D53D23-M55 HydrophobicContact CB-CE 4.29Å; D23-M55 HydrophobicContact CB-SD 3.45Å; D23-M55 WeakPolarHBondContact CB-SD 3.44Å; D53-M55 VanDerWaalsContact C-N 3.27Å; D53-M55 WeakPolarHBondContact OD1-CA 3.24Å; D53-M55 WeakPolarHBondContact OD1-CB 3.41Å; D53-M55 PolarHBondContact OD1-N 3.28Å
56I81.5Confident75.6Confident2 Ų267.8 Ų67.81%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-109.898.4174.2-59.8166.4000106.6V22 L27 L45 F48 D49 E60V22-I56 HydrophobicContact CB-CB 4.42Å; V22-I56 PolarHBondContact N-O 3.32Å; V22-I56 WeakPolarHBondContact O-CA 3.32Å; V22-I56 WeakPolarHBondContact O-CB 3.49Å; V22-I56 PolarHBondContact O-N 2.9Å; L27-I56 HydrophobicContact CD2-CD1 3.56Å; L45-I56 HydrophobicContact CD2-CD1 4.06Å; F48-I56 HydrophobicContact CB-CB 4.42Å; F48-I56 HydrophobicContact CB-CD1 3.54Å; F48-I56 HydrophobicContact CB-CG1 3.72Å; F48-I56 HydrophobicContact CB-CG2 3.82Å; F48-I56 HydrophobicContact CD1-CG2 4.28Å; F48-I56 HydrophobicContact CG-CD1 4.23Å; F48-I56 HydrophobicContact CG-CG2 4.32Å; D49-I56 HydrophobicContact CB-CG1 4.45Å; I56-E60 HydrophobicContact CG2-CB 4.35Å
57T82.5Confident75.3Confident45 Ų4564 Ų6428%0.27632%0.323SS..EExtended strand (participates in β ladder)trans-65.3157.2174.260.80000110.6E59 E60 Y61T57-E59 PolarHBondContact O-N 3.35Å; T57-E59 VanDerWaalsContact O-N 3.16Å; T57-E60 PolarHBondContact N-OE2 2.99Å; T57-E60 PolarHBondContact O-N 3.25Å; T57-E60 VanDerWaalsContact O-N 3.14Å; T57-E60 WeakPolarHBondContact OG1-CB 3.37Å; T57-E60 VanDerWaalsContact OG1-CG 3.3Å; T57-E60 WeakPolarHBondContact OG1-CG 3.15Å; T57-E60 PolarHBondContact OG1-N 3.48Å; T57-E60 PolarHBondContact OG1-OE2 3.48Å; T57-Y61 WeakPolarHBondContact O-CB 3.36Å; T57-Y61 PolarHBondContact O-N 3.08Å
58F78.9Confident74.9Confident63 Ų6362.8 Ų62.828%0.27632%0.315SS..Hα-helixtrans-55.5-34.1175.1-176.6-107000112.5F11 Y61 Q62F11-F58 HydrophobicContact CD1-CD2 4.17Å; F11-F58 HydrophobicContact CE1-CB 4.48Å; F11-F58 HydrophobicContact CE1-CD2 4.18Å; F11-F58 HydrophobicContact CZ-CB 4.33Å; F58-Y61 PolarHBondContact O-N 3.21Å; F58-Q62 HydrophobicContact CD1-CG 4.17Å; F58-Q62 HydrophobicContact CE1-CG 3.8Å; F58-Q62 VanDerWaalsContact CE1-NE2 3.34Å; F58-Q62 VanDerWaalsContact CE1-OE1 3.23Å; F58-Q62 HydrophobicContact CE2-CG 4.3Å; F58-Q62 HydrophobicContact CZ-CG 3.87Å; F58-Q62 WeakPolarHBondContact O-CB 3.3Å; F58-Q62 VanDerWaalsContact O-CG 3.31Å; F58-Q62 WeakPolarHBondContact O-CG 3.48Å; F58-Q62 PolarHBondContact O-N 2.77Å
59E80.5Confident74.4Confident143 Ų14365.3 Ų65.367%0.66833%0.333SS*.Hα-helixtrans-69.6-41.6178.8-68.5158.6176.500112.1T57 Q62 T63T57-E59 PolarHBondContact O-N 3.35Å; T57-E59 VanDerWaalsContact O-N 3.16Å; E59-Q62 PolarHBondContact O-N 3.24Å; E59-T63 WeakPolarHBondContact O-CB 3.45Å; E59-T63 PolarHBondContact O-N 3.36Å; E59-T63 PolarHBondContact O-OG1 3.33Å
60E79.3Confident73.9Confident25 Ų2570.5 Ų70.512%0.11736%0.356CS..Hα-helixtrans-66.7-39.9172-74169.8127.600111.6N51 I56 T57 T63 G64N51-E60 PolarHBondContact OD1-OE1 2.76Å; I56-E60 HydrophobicContact CG2-CB 4.35Å; T57-E60 PolarHBondContact N-OE2 2.99Å; T57-E60 PolarHBondContact O-N 3.25Å; T57-E60 VanDerWaalsContact O-N 3.14Å; T57-E60 WeakPolarHBondContact OG1-CB 3.37Å; T57-E60 VanDerWaalsContact OG1-CG 3.3Å; T57-E60 WeakPolarHBondContact OG1-CG 3.15Å; T57-E60 PolarHBondContact OG1-N 3.48Å; T57-E60 PolarHBondContact OG1-OE2 3.48Å; E60-T63 PolarHBondContact O-N 3.04Å; E60-G64 WeakPolarHBondContact O-CA 3.43Å; E60-G64 PolarHBondContact O-N 3.39Å
61Y76Confident73.3Confident12 Ų1268.1 Ų68.15%0.04734%0.337CS..Hα-helixtrans-59.1-51.5173.4-173-111.1000110.7L7 F11 F48 T57 F58 T63 G64 I65 I68L7-Y61 WeakPolarHBondContact O-CE1 3.43Å; L7-Y61 PolarHBondContact O-OH 3.16Å; F11-Y61 HydrophobicContact CB-CD1 3.85Å; F11-Y61 HydrophobicContact CB-CE1 3.54Å; F11-Y61 AromaticContact CD2-CD1 3.51Å; F11-Y61 HydrophobicContact CD2-CD1 3.51Å; F11-Y61 AromaticContact CD2-CD2 3.79Å; F11-Y61 HydrophobicContact CD2-CD2 3.79Å; F11-Y61 AromaticContact CD2-CE1 3.99Å; F11-Y61 HydrophobicContact CD2-CE1 3.99Å; F11-Y61 HydrophobicContact CD2-CE2 4.24Å; F11-Y61 AromaticContact CD2-CG 3.41Å; F11-Y61 HydrophobicContact CD2-CG 3.41Å; F11-Y61 VanDerWaalsContact CD2-CG 3.41Å; F11-Y61 HydrophobicContact CE2-CD1 4.34Å; F11-Y61 HydrophobicContact CE2-CD2 4.42Å; F11-Y61 AromaticContact CE2-CG 3.95Å; F11-Y61 HydrophobicContact CE2-CG 3.95Å; F11-Y61 AromaticContact CG-CD1 3.92Å; F11-Y61 HydrophobicContact CG-CD1 3.92Å; F11-Y61 HydrophobicContact CG-CE1 4.13Å; F11-Y61 HydrophobicContact CG-CG 4.29Å; F48-Y61 HydrophobicContact CD1-CD2 4.19Å; F48-Y61 HydrophobicContact CE1-CD2 4.27Å; T57-Y61 WeakPolarHBondContact O-CB 3.36Å; T57-Y61 PolarHBondContact O-N 3.08Å; F58-Y61 PolarHBondContact O-N 3.21Å; Y61-T63 PolarHBondContact O-N 3.45Å; Y61-G64 CarbonylContact O-C 3.51Å; Y61-G64 PolarHBondContact O-N 2.62Å; Y61-I65 HydrophobicContact CD1-CD1 3.25Å; Y61-I65 HydrophobicContact CD1-CG1 3.86Å; Y61-I65 HydrophobicContact CD2-CG1 4.35Å; Y61-I65 HydrophobicContact CE1-CD1 3.11Å; Y61-I65 HydrophobicContact CE1-CG1 3.62Å; Y61-I65 HydrophobicContact CE2-CG1 4.14Å; Y61-I65 HydrophobicContact CG-CD1 4.03Å; Y61-I65 HydrophobicContact CG-CG1 4.21Å; Y61-I65 WeakPolarHBondContact O-CB 3.31Å; Y61-I65 WeakPolarHBondContact O-CG1 3.47Å; Y61-I65 PolarHBondContact O-N 3.27Å; Y61-I68 HydrophobicContact CE2-CD1 3.97Å
62Q76.1Confident72.5Confident87 Ų8771.9 Ų71.941%0.40734%0.344SS..Hα-helixtrans-59.5-43.9177.3-75.5-173.4-53.400112.7F58 E59 G64 I65F58-Q62 HydrophobicContact CD1-CG 4.17Å; F58-Q62 HydrophobicContact CE1-CG 3.8Å; F58-Q62 VanDerWaalsContact CE1-NE2 3.34Å; F58-Q62 VanDerWaalsContact CE1-OE1 3.23Å; F58-Q62 HydrophobicContact CE2-CG 4.3Å; F58-Q62 HydrophobicContact CZ-CG 3.87Å; F58-Q62 WeakPolarHBondContact O-CB 3.3Å; F58-Q62 VanDerWaalsContact O-CG 3.31Å; F58-Q62 WeakPolarHBondContact O-CG 3.48Å; F58-Q62 PolarHBondContact O-N 2.77Å; E59-Q62 PolarHBondContact O-N 3.24Å; Q62-G64 VanDerWaalsContact C-N 3.32Å; Q62-G64 PolarHBondContact O-N 2.76Å; Q62-I65 PolarHBondContact O-N 3.1Å
63T74.3Confident72.2Confident91 Ų9169.8 Ų69.856%0.55834%0.341SS*.Hα-helixtrans-66.4-38178.5-57.80000111.6E59 E60 Y61E59-T63 WeakPolarHBondContact O-CB 3.45Å; E59-T63 PolarHBondContact O-N 3.36Å; E59-T63 PolarHBondContact O-OG1 3.33Å; E60-T63 PolarHBondContact O-N 3.04Å; Y61-T63 PolarHBondContact O-N 3.45Å
64G69.7Low71.2Confident2 Ų267.7 Ų67.72%0.02133%0.327CS..Hα-helixtrans-79-25.8178.400000113.3E60 Y61 Q62 H66 K67 I68E60-G64 WeakPolarHBondContact O-CA 3.43Å; E60-G64 PolarHBondContact O-N 3.39Å; Y61-G64 CarbonylContact O-C 3.51Å; Y61-G64 PolarHBondContact O-N 2.62Å; Q62-G64 VanDerWaalsContact C-N 3.32Å; Q62-G64 PolarHBondContact O-N 2.76Å; G64-H66 VanDerWaalsContact C-N 3.32Å; G64-H66 PolarHBondContact O-N 3Å; G64-K67 CarbonylContact O-C 3.34Å; G64-K67 WeakPolarHBondContact O-CA 3.31Å; G64-K67 WeakPolarHBondContact O-CB 3.49Å; G64-K67 PolarHBondContact O-N 3.04Å; G64-I68 PolarHBondContact O-N 3.27Å
65I68.5Low70.5Confident9 Ų968 Ų685%0.04632%0.321CS..Hα-helixtrans-57.1-44.1-177.6-86.1160.9000111.7L7 Y61 Q62 K67 I68 S69L7-I65 HydrophobicContact CB-CD1 4.45Å; L7-I65 HydrophobicContact CD1-CG2 3.59Å; Y61-I65 HydrophobicContact CD1-CD1 3.25Å; Y61-I65 HydrophobicContact CD1-CG1 3.86Å; Y61-I65 HydrophobicContact CD2-CG1 4.35Å; Y61-I65 HydrophobicContact CE1-CD1 3.11Å; Y61-I65 HydrophobicContact CE1-CG1 3.62Å; Y61-I65 HydrophobicContact CE2-CG1 4.14Å; Y61-I65 HydrophobicContact CG-CD1 4.03Å; Y61-I65 HydrophobicContact CG-CG1 4.21Å; Y61-I65 WeakPolarHBondContact O-CB 3.31Å; Y61-I65 WeakPolarHBondContact O-CG1 3.47Å; Y61-I65 PolarHBondContact O-N 3.27Å; Q62-I65 PolarHBondContact O-N 3.1Å; I65-K67 PolarHBondContact O-N 3.43Å; I65-I68 HydrophobicContact CB-CD1 4.46Å; I65-I68 HydrophobicContact CG1-CD1 3.94Å; I65-I68 WeakPolarHBondContact O-CA 3.49Å; I65-I68 VanDerWaalsContact O-CB 3.26Å; I65-I68 WeakPolarHBondContact O-CB 3.36Å; I65-I68 PolarHBondContact O-N 3.14Å; I65-S69 PolarHBondContact O-N 3.42Å
66H66.1Low69.7Low130 Ų13070 Ų7060%0.60233%0.328SS*.Hα-helixtrans-61.9-32.4176-69.6-65.8000110.9G64 H70G64-H66 VanDerWaalsContact C-N 3.32Å; G64-H66 PolarHBondContact O-N 3Å; H66-H70 PolarHBondContact O-CD2 2.95Å; H66-H70 VanDerWaalsContact O-CD2 3.26Å
67K66.6Low68.9Low96 Ų9672.9 Ų72.942%0.41734%0.343SS..Hα-helixtrans-70.2-38.2169.3-46.1176.5-173.1168.60111.1G64 I65 S69 H70 L71G64-K67 CarbonylContact O-C 3.34Å; G64-K67 WeakPolarHBondContact O-CA 3.31Å; G64-K67 WeakPolarHBondContact O-CB 3.49Å; G64-K67 PolarHBondContact O-N 3.04Å; I65-K67 PolarHBondContact O-N 3.43Å; K67-S69 PolarHBondContact O-N 2.97Å; K67-H70 PolarHBondContact O-N 2.88Å; K67-L71 HydrophobicContact CB-CD1 4.15Å; K67-L71 WeakPolarHBondContact O-CB 3.49Å; K67-L71 WeakPolarHBondContact O-CD1 3.46Å; K67-L71 WeakPolarHBondContact O-CG 3.15Å; K67-L71 PolarHBondContact O-N 3.28Å
68I61.8Low68.1Low11 Ų1170.8 Ų70.86%0.05633%0.33CS..Hα-helixtrans-55-49175.1-58.3177000110.5F44 F48 Y61 G64 I65 H70 L71 R72F44-I68 HydrophobicContact CE1-CD1 4.37Å; F44-I68 HydrophobicContact CE2-CG1 4.2Å; F44-I68 HydrophobicContact CE2-CG2 4.19Å; F44-I68 HydrophobicContact CZ-CB 4.41Å; F44-I68 HydrophobicContact CZ-CD1 3.76Å; F44-I68 HydrophobicContact CZ-CG1 3.66Å; F44-I68 HydrophobicContact CZ-CG2 3.96Å; F48-I68 HydrophobicContact CE1-CD1 3.62Å; F48-I68 HydrophobicContact CE1-CG1 3.7Å; F48-I68 HydrophobicContact CE2-CD1 4.14Å; F48-I68 HydrophobicContact CE2-CG1 3.84Å; F48-I68 HydrophobicContact CZ-CB 4.43Å; F48-I68 HydrophobicContact CZ-CD1 3.37Å; F48-I68 HydrophobicContact CZ-CG1 3.02Å; Y61-I68 HydrophobicContact CE2-CD1 3.97Å; G64-I68 PolarHBondContact O-N 3.27Å; I65-I68 HydrophobicContact CB-CD1 4.46Å; I65-I68 HydrophobicContact CG1-CD1 3.94Å; I65-I68 WeakPolarHBondContact O-CA 3.49Å; I65-I68 VanDerWaalsContact O-CB 3.26Å; I65-I68 WeakPolarHBondContact O-CB 3.36Å; I65-I68 PolarHBondContact O-N 3.14Å; I68-H70 PolarHBondContact O-N 2.73Å; I68-L71 CarbonylContact O-C 3.51Å; I68-L71 PolarHBondContact O-N 2.87Å; I68-R72 HydrophobicContact CG2-CB 4.29Å; I68-R72 VanDerWaalsContact O-CB 3.24Å; I68-R72 WeakPolarHBondContact O-CB 3.23Å; I68-R72 PolarHBondContact O-N 3.32Å
69S62Low67.5Low54 Ų5473.7 Ų73.738%0.37834%0.34SS..Hα-helixtrans-57.2-41.8-175.3-77.30000111.4I65 K67 K73I65-S69 PolarHBondContact O-N 3.42Å; K67-S69 PolarHBondContact O-N 2.97Å; S69-K73 WeakPolarHBondContact O-CB 2.9Å; S69-K73 PolarHBondContact O-N 2.84Å
70H65.4Low66.9Low127 Ų12770.7 Ų70.759%0.58833%0.326SS*.Hα-helixtrans-69.7-43.4172.9-68-66000112.4H66 K67 I68 K73 K74H66-H70 PolarHBondContact O-CD2 2.95Å; H66-H70 VanDerWaalsContact O-CD2 3.26Å; K67-H70 PolarHBondContact O-N 2.88Å; I68-H70 PolarHBondContact O-N 2.73Å; H70-K73 PolarHBondContact O-N 3.21Å; H70-K74 WeakPolarHBondContact O-CB 3.43Å; H70-K74 PolarHBondContact O-N 2.9Å
71L58.5Low66.4Low32 Ų3270.1 Ų70.117%0.16832%0.324CS..Hα-helixtrans-65.3-41.3179.9-71.9164.6000112.6T47 K67 I68 K74 Y75 L141T47-L71 HydrophobicContact CG2-CD1 3.72Å; K67-L71 HydrophobicContact CB-CD1 4.15Å; K67-L71 WeakPolarHBondContact O-CB 3.49Å; K67-L71 WeakPolarHBondContact O-CD1 3.46Å; K67-L71 WeakPolarHBondContact O-CG 3.15Å; K67-L71 PolarHBondContact O-N 3.28Å; I68-L71 CarbonylContact O-C 3.51Å; I68-L71 PolarHBondContact O-N 2.87Å; L71-K74 CarbonylContact O-C 3.57Å; L71-K74 PolarHBondContact O-N 3.28Å; L71-Y75 WeakPolarHBondContact O-CA 3.39Å; L71-Y75 WeakPolarHBondContact O-CB 3.49Å; L71-Y75 PolarHBondContact O-N 2.81Å; L71-L141 HydrophobicContact CD2-CD2 3.77Å
72R61.8Low66.1Low169 Ų16970.7 Ų70.764%0.63833%0.327SS*.Hα-helixtrans-64.7-43.5175.7179-179.3149.6175-5.9110.4I68 Y75 F76I68-R72 HydrophobicContact CG2-CB 4.29Å; I68-R72 VanDerWaalsContact O-CB 3.24Å; I68-R72 WeakPolarHBondContact O-CB 3.23Å; I68-R72 PolarHBondContact O-N 3.32Å; R72-Y75 PolarHBondContact O-N 2.91Å; R72-F76 VanDerWaalsContact O-CB 3.25Å; R72-F76 WeakPolarHBondContact O-CB 2.89Å; R72-F76 PolarHBondContact O-N 3.27Å
73K64.5Low65.9Low165 Ų16573.2 Ų73.272%0.71734%0.337SS*.Hα-helixtrans-64.5-44.2174.4-171.7176.1-178.5-179.60111.2S69 H70 Y75 F76 N77S69-K73 WeakPolarHBondContact O-CB 2.9Å; S69-K73 PolarHBondContact O-N 2.84Å; H70-K73 PolarHBondContact O-N 3.21Å; K73-Y75 VanDerWaalsContact C-N 3.32Å; K73-Y75 PolarHBondContact O-N 2.9Å; K73-F76 PolarHBondContact O-N 3.43Å; K73-N77 WeakPolarHBondContact O-CB 3.2Å; K73-N77 PolarHBondContact O-N 3.15Å
74K62.5Low65.9Low46 Ų4673 Ų7320%0.233%0.329CS..Hα-helixtrans-61.7-41.7176.3-160.4176.8-162.9178.60111H70 L71 Y78 L140 Q143H70-K74 WeakPolarHBondContact O-CB 3.43Å; H70-K74 PolarHBondContact O-N 2.9Å; L71-K74 CarbonylContact O-C 3.57Å; L71-K74 PolarHBondContact O-N 3.28Å; K74-Y78 WeakPolarHBondContact O-CB 3.2Å; K74-Y78 PolarHBondContact O-N 3.04Å; K74-L140 HydrophobicContact CD-CD1 4.28Å; K74-L140 HydrophobicContact CD-CD2 4.43Å; K74-L140 HydrophobicContact CD-CG 3.97Å; K74-L140 WeakPolarHBondContact CE-O 3.31Å; K74-L140 HydrophobicContact CG-CD1 3.77Å; K74-L140 HydrophobicContact CG-CD2 3.89Å; K74-L140 HydrophobicContact CG-CG 3.75Å; K74-L140 PolarHBondContact NZ-O 3.41Å; K74-Q143 PolarHBondContact NZ-O 2.9Å; K74-Q143 VanDerWaalsContact NZ-O 3.1Å
75Y62.9Low66.3Low31 Ų3173 Ų7312%0.12233%0.328CS..Hα-helixtrans-70.3-42.5178.7-173.3-96.4000112.3F36 F40 L71 R72 K73 Y78 Y79 Y133F36-Y75 HydrophobicContact CD1-CD1 4.48Å; F36-Y75 AromaticContact CD1-CE1 3.82Å; F36-Y75 HydrophobicContact CD1-CE1 3.82Å; F36-Y75 HydrophobicContact CE1-CD1 4.05Å; F36-Y75 AromaticContact CE1-CE1 3.76Å; F36-Y75 HydrophobicContact CE1-CE1 3.76Å; F40-Y75 HydrophobicContact CB-CE2 4.01Å; F40-Y75 HydrophobicContact CD2-CD1 4.48Å; F40-Y75 AromaticContact CD2-CD2 3.25Å; F40-Y75 HydrophobicContact CD2-CD2 3.25Å; F40-Y75 HydrophobicContact CD2-CE1 4.4Å; F40-Y75 AromaticContact CD2-CE2 3.13Å; F40-Y75 HydrophobicContact CD2-CE2 3.13Å; F40-Y75 AromaticContact CD2-CG 3.95Å; F40-Y75 HydrophobicContact CD2-CG 3.95Å; F40-Y75 AromaticContact CD2-CZ 3.76Å; F40-Y75 HydrophobicContact CE2-CD1 4.19Å; F40-Y75 AromaticContact CE2-CD2 3.37Å; F40-Y75 HydrophobicContact CE2-CD2 3.37Å; F40-Y75 HydrophobicContact CE2-CE1 4.49Å; F40-Y75 AromaticContact CE2-CE2 3.72Å; F40-Y75 HydrophobicContact CE2-CE2 3.72Å; F40-Y75 AromaticContact CE2-CG 3.61Å; F40-Y75 HydrophobicContact CE2-CG 3.61Å; F40-Y75 HydrophobicContact CG-CD2 4.28Å; F40-Y75 AromaticContact CG-CE2 3.76Å; F40-Y75 HydrophobicContact CG-CE2 3.76Å; F40-Y75 HydrophobicContact CZ-CD2 4.47Å; F40-Y75 HydrophobicContact CZ-CG 4.4Å; L71-Y75 WeakPolarHBondContact O-CA 3.39Å; L71-Y75 WeakPolarHBondContact O-CB 3.49Å; L71-Y75 PolarHBondContact O-N 2.81Å; R72-Y75 PolarHBondContact O-N 2.91Å; K73-Y75 VanDerWaalsContact C-N 3.32Å; K73-Y75 PolarHBondContact O-N 2.9Å; Y75-Y78 AromaticContact CD2-CD1 3.59Å; Y75-Y78 HydrophobicContact CD2-CD1 3.59Å; Y75-Y78 AromaticContact CD2-CE1 3.94Å; Y75-Y78 HydrophobicContact CD2-CE1 3.94Å; Y75-Y78 AromaticContact CE2-CD1 3.56Å; Y75-Y78 HydrophobicContact CE2-CD1 3.56Å; Y75-Y78 AromaticContact CE2-CE1 3.47Å; Y75-Y78 HydrophobicContact CE2-CE1 3.47Å; Y75-Y78 VanDerWaalsContact CE2-CE1 3.47Å; Y75-Y78 HydrophobicContact CG-CD1 4.26Å; Y75-Y78 CarbonylContact O-C 3.49Å; Y75-Y78 WeakPolarHBondContact O-CA 3.24Å; Y75-Y78 VanDerWaalsContact O-CB 3.27Å; Y75-Y78 WeakPolarHBondContact O-CB 2.77Å; Y75-Y78 PolarHBondContact O-N 3.48Å; Y75-Y78 VanDerWaalsContact O-N 3.15Å; Y75-Y79 PolarHBondContact O-N 3.32Å; Y75-Y133 VanDerWaalsContact CE2-OH 3.24Å; Y75-Y133 WeakPolarHBondContact CE2-OH 3.2Å; Y75-Y133 PolarHBondContact OH-OH 2.93Å
76F65.4Low66.8Low130 Ų13073.9 Ų73.957%0.5733%0.333SS*.Hα-helixtrans-62.5-49175.6-178.2-98.2000110.2R72 K73 Y78 Y79 H80R72-F76 VanDerWaalsContact O-CB 3.25Å; R72-F76 WeakPolarHBondContact O-CB 2.89Å; R72-F76 PolarHBondContact O-N 3.27Å; K73-F76 PolarHBondContact O-N 3.43Å; F76-Y78 PolarHBondContact O-N 3.16Å; F76-Y79 PolarHBondContact O-N 3.35Å; F76-H80 AromaticContact CD1-CD2 3.75Å; F76-H80 AromaticContact CE1-CD2 3.44Å; F76-H80 VanDerWaalsContact CE1-CD2 3.44Å; F76-H80 WeakPolarHBondContact CE1-CD2 3.48Å; F76-H80 AromaticContact CE1-NE2 3.38Å; F76-H80 WeakPolarHBondContact CE1-NE2 3.19Å; F76-H80 AromaticContact CE2-CD2 3.93Å; F76-H80 AromaticContact CE2-NE2 3.42Å; F76-H80 WeakPolarHBondContact CE2-NE2 3.41Å; F76-H80 AromaticContact CZ-CD2 3.55Å; F76-H80 AromaticContact CZ-NE2 2.99Å; F76-H80 WeakPolarHBondContact CZ-NE2 3.42Å; F76-H80 PolarHBondContact O-CD2 3.3Å; F76-H80 PolarHBondContact O-N 3.06Å; F76-H80 VanDerWaalsContact O-N 3.14Å
77N63.7Low67.3Low63 Ų6372 Ų7234%0.33732%0.322SS..Hα-helixtrans-56.6-39.5173-168.657.3000110.9K73 H80 I81 S156K73-N77 WeakPolarHBondContact O-CB 3.2Å; K73-N77 PolarHBondContact O-N 3.15Å; N77-H80 WeakPolarHBondContact O-CB 3.39Å; N77-H80 PolarHBondContact O-N 2.75Å; N77-I81 WeakPolarHBondContact ND2-CD1 3.32Å; N77-I81 WeakPolarHBondContact O-CB 3.46Å; N77-I81 WeakPolarHBondContact O-CD1 3.43Å; N77-I81 WeakPolarHBondContact O-CG1 3.49Å; N77-I81 PolarHBondContact O-N 3.2Å; N77-S156 PolarHBondContact ND2-OG 2.92Å; N77-S156 PolarHBondContact OD1-OG 3.27Å
78Y66.3Low68Low0 Ų072.1 Ų72.10%033%0.328CS..Hα-helixtrans-65.1-46.6175.9157.3-96.6000114.8K74 Y75 F76 H80 I81 L82 Y133 F136 L137 L140K74-Y78 WeakPolarHBondContact O-CB 3.2Å; K74-Y78 PolarHBondContact O-N 3.04Å; Y75-Y78 AromaticContact CD2-CD1 3.59Å; Y75-Y78 HydrophobicContact CD2-CD1 3.59Å; Y75-Y78 AromaticContact CD2-CE1 3.94Å; Y75-Y78 HydrophobicContact CD2-CE1 3.94Å; Y75-Y78 AromaticContact CE2-CD1 3.56Å; Y75-Y78 HydrophobicContact CE2-CD1 3.56Å; Y75-Y78 AromaticContact CE2-CE1 3.47Å; Y75-Y78 HydrophobicContact CE2-CE1 3.47Å; Y75-Y78 VanDerWaalsContact CE2-CE1 3.47Å; Y75-Y78 HydrophobicContact CG-CD1 4.26Å; Y75-Y78 CarbonylContact O-C 3.49Å; Y75-Y78 WeakPolarHBondContact O-CA 3.24Å; Y75-Y78 VanDerWaalsContact O-CB 3.27Å; Y75-Y78 WeakPolarHBondContact O-CB 2.77Å; Y75-Y78 PolarHBondContact O-N 3.48Å; Y75-Y78 VanDerWaalsContact O-N 3.15Å; F76-Y78 PolarHBondContact O-N 3.16Å; Y78-H80 PolarHBondContact O-N 2.84Å; Y78-I81 CarbonylContact O-C 3.54Å; Y78-I81 WeakPolarHBondContact O-CA 3.48Å; Y78-I81 WeakPolarHBondContact O-CB 3.34Å; Y78-I81 PolarHBondContact O-N 3.12Å; Y78-L82 HydrophobicContact CD1-CD1 4.35Å; Y78-L82 HydrophobicContact CD2-CD1 4.25Å; Y78-L82 HydrophobicContact CD2-CD2 4.25Å; Y78-L82 HydrophobicContact CD2-CG 3.83Å; Y78-L82 HydrophobicContact CE1-CD1 3.56Å; Y78-L82 HydrophobicContact CE1-CG 4.16Å; Y78-L82 HydrophobicContact CE2-CD1 3.46Å; Y78-L82 VanDerWaalsContact CE2-CD1 3.46Å; Y78-L82 HydrophobicContact CE2-CD2 3.63Å; Y78-L82 HydrophobicContact CE2-CG 3.39Å; Y78-L82 HydrophobicContact CG-CG 4.42Å; Y78-L82 PolarHBondContact O-N 3.16Å; Y78-L82 WeakPolarHBondContact OH-CD1 3.4Å; Y78-Y133 HydrophobicContact CE1-CD2 4.44Å; Y78-Y133 AromaticContact CE1-CE2 3.63Å; Y78-Y133 HydrophobicContact CE1-CE2 3.63Å; Y78-Y133 AromaticContact CE1-CZ 3.76Å; Y78-Y133 AromaticContact CZ-CD2 3.95Å; Y78-Y133 AromaticContact CZ-CE2 3.57Å; Y78-Y133 AromaticContact CZ-CZ 3.83Å; Y78-Y133 WeakPolarHBondContact OH-CD1 3.45Å; Y78-Y133 WeakPolarHBondContact OH-CD2 3.43Å; Y78-Y133 WeakPolarHBondContact OH-CE1 3.21Å; Y78-Y133 WeakPolarHBondContact OH-CE2 3.43Å; Y78-Y133 VanDerWaalsContact OH-CG 3.24Å; Y78-Y133 PolarHBondContact OH-O 2.86Å; Y78-F136 AromaticContact CD2-CD1 3.81Å; Y78-F136 HydrophobicContact CD2-CD1 3.81Å; Y78-F136 HydrophobicContact CD2-CE1 4.01Å; Y78-F136 AromaticContact CE2-CD1 3.64Å; Y78-F136 HydrophobicContact CE2-CD1 3.64Å; Y78-F136 HydrophobicContact CE2-CE1 4.28Å; Y78-L137 HydrophobicContact CD1-CD2 4.21Å; Y78-L137 HydrophobicContact CD2-CD2 4.2Å; Y78-L137 HydrophobicContact CE1-CD2 3.75Å; Y78-L137 HydrophobicContact CE1-CG 4.47Å; Y78-L137 HydrophobicContact CE2-CD2 3.71Å; Y78-L137 HydrophobicContact CE2-CG 4.16Å; Y78-L137 HydrophobicContact CG-CD2 4.37Å; Y78-L137 VanDerWaalsContact CZ-CD2 3.41Å; Y78-L137 WeakPolarHBondContact OH-CG 3.07Å; Y78-L140 HydrophobicContact CD2-CD2 3.92Å; Y78-L140 HydrophobicContact CG-CD2 3.91Å
79Y65.6Low68.7Low124 Ų12479.9 Ų79.949%0.48636%0.361SS..Hα-helixtrans-59.7-37.2177.6176.9-106.4000110Y75 F76 K83Y75-Y79 PolarHBondContact O-N 3.32Å; F76-Y79 PolarHBondContact O-N 3.35Å; Y79-K83 WeakPolarHBondContact O-CB 3.3Å; Y79-K83 PolarHBondContact O-N 3.49Å
80H68Low69.6Low81 Ų8180.6 Ų80.638%0.37536%0.361SS..Hα-helixtrans-67.5-40.3171.2-78-69.3000113.3F76 N77 Y78 K84F76-H80 AromaticContact CD1-CD2 3.75Å; F76-H80 AromaticContact CE1-CD2 3.44Å; F76-H80 VanDerWaalsContact CE1-CD2 3.44Å; F76-H80 WeakPolarHBondContact CE1-CD2 3.48Å; F76-H80 AromaticContact CE1-NE2 3.38Å; F76-H80 WeakPolarHBondContact CE1-NE2 3.19Å; F76-H80 AromaticContact CE2-CD2 3.93Å; F76-H80 AromaticContact CE2-NE2 3.42Å; F76-H80 WeakPolarHBondContact CE2-NE2 3.41Å; F76-H80 AromaticContact CZ-CD2 3.55Å; F76-H80 AromaticContact CZ-NE2 2.99Å; F76-H80 WeakPolarHBondContact CZ-NE2 3.42Å; F76-H80 PolarHBondContact O-CD2 3.3Å; F76-H80 PolarHBondContact O-N 3.06Å; F76-H80 VanDerWaalsContact O-N 3.14Å; N77-H80 WeakPolarHBondContact O-CB 3.39Å; N77-H80 PolarHBondContact O-N 2.75Å; Y78-H80 PolarHBondContact O-N 2.84Å; H80-K84 WeakPolarHBondContact O-CB 3.43Å; H80-K84 VanDerWaalsContact O-CG 3.3Å; H80-K84 WeakPolarHBondContact O-CG 3.42Å; H80-K84 PolarHBondContact O-N 3.2Å; H80-K84 VanDerWaalsContact O-N 3.08Å
81I68.7Low70.1Confident12 Ų1276.4 Ų76.46%0.06235%0.352CS..Hα-helixtrans-62.9-52.4176.4-75.6166.6000110.8N77 Y78 K83 K84 L85 F136 I155N77-I81 WeakPolarHBondContact ND2-CD1 3.32Å; N77-I81 WeakPolarHBondContact O-CB 3.46Å; N77-I81 WeakPolarHBondContact O-CD1 3.43Å; N77-I81 WeakPolarHBondContact O-CG1 3.49Å; N77-I81 PolarHBondContact O-N 3.2Å; Y78-I81 CarbonylContact O-C 3.54Å; Y78-I81 WeakPolarHBondContact O-CA 3.48Å; Y78-I81 WeakPolarHBondContact O-CB 3.34Å; Y78-I81 PolarHBondContact O-N 3.12Å; I81-K83 VanDerWaalsContact C-N 3.35Å; I81-K83 PolarHBondContact O-N 3.42Å; I81-K84 WeakPolarHBondContact O-CB 3.32Å; I81-K84 PolarHBondContact O-N 2.83Å; I81-K84 VanDerWaalsContact O-N 3.11Å; I81-L85 HydrophobicContact CG2-CD1 3.59Å; I81-L85 HydrophobicContact CG2-CG 4.25Å; I81-L85 WeakPolarHBondContact O-CB 2.99Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.38Å; I81-L85 PolarHBondContact O-N 3.15Å; I81-F136 HydrophobicContact CG2-CE1 3.74Å; I81-F136 HydrophobicContact CG2-CZ 3.62Å; I81-I155 HydrophobicContact CB-CD1 3.88Å; I81-I155 HydrophobicContact CB-CG1 4.26Å; I81-I155 HydrophobicContact CD1-CG1 4.29Å; I81-I155 HydrophobicContact CG1-CD1 3.77Å; I81-I155 HydrophobicContact CG1-CG1 3.57Å; I81-I155 HydrophobicContact CG2-CD1 3.54Å; I81-I155 HydrophobicContact CG2-CG1 4.2Å
82L69Low71.3Confident24 Ų2478.7 Ų78.713%0.12636%0.359CS..Hα-helixtrans-56.9-49.2177.5-74.3-167.9000111.1Y78 K84 L85 D86 I93 Y133 F136Y78-L82 HydrophobicContact CD1-CD1 4.35Å; Y78-L82 HydrophobicContact CD2-CD1 4.25Å; Y78-L82 HydrophobicContact CD2-CD2 4.25Å; Y78-L82 HydrophobicContact CD2-CG 3.83Å; Y78-L82 HydrophobicContact CE1-CD1 3.56Å; Y78-L82 HydrophobicContact CE1-CG 4.16Å; Y78-L82 HydrophobicContact CE2-CD1 3.46Å; Y78-L82 VanDerWaalsContact CE2-CD1 3.46Å; Y78-L82 HydrophobicContact CE2-CD2 3.63Å; Y78-L82 HydrophobicContact CE2-CG 3.39Å; Y78-L82 HydrophobicContact CG-CG 4.42Å; Y78-L82 PolarHBondContact O-N 3.16Å; Y78-L82 WeakPolarHBondContact OH-CD1 3.4Å; L82-K84 PolarHBondContact O-N 2.86Å; L82-L85 PolarHBondContact O-N 2.68Å; L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 3.38Å; L82-I93 HydrophobicContact CD2-CD1 3.27Å; L82-I93 HydrophobicContact CD2-CG1 4.41Å; L82-Y133 HydrophobicContact CD1-CD2 3.52Å; L82-Y133 HydrophobicContact CD1-CE2 3.7Å; L82-F136 HydrophobicContact CD2-CD1 4.01Å; L82-F136 HydrophobicContact CD2-CE1 4.4Å; L82-F136 HydrophobicContact CD2-CG 4.24Å
83K72.4Confident72.3Confident141 Ų14170.8 Ų70.861%0.61333%0.33SS*.Hα-helixtrans-63.7-25.1-179.5-172.1174.1-178.6176.70113.1Y79 I81Y79-K83 WeakPolarHBondContact O-CB 3.3Å; Y79-K83 PolarHBondContact O-N 3.49Å; I81-K83 VanDerWaalsContact C-N 3.35Å; I81-K83 PolarHBondContact O-N 3.42Å
84K74.2Confident73.3Confident87 Ų8765 Ų6538%0.37831%0.308SS..Hα-helixtrans-78.6-42.8171.7-76.5-178.7179.8-172.50111.3H80 I81 L82 V101 I155 K157H80-K84 WeakPolarHBondContact O-CB 3.43Å; H80-K84 VanDerWaalsContact O-CG 3.3Å; H80-K84 WeakPolarHBondContact O-CG 3.42Å; H80-K84 PolarHBondContact O-N 3.2Å; H80-K84 VanDerWaalsContact O-N 3.08Å; I81-K84 WeakPolarHBondContact O-CB 3.32Å; I81-K84 PolarHBondContact O-N 2.83Å; I81-K84 VanDerWaalsContact O-N 3.11Å; L82-K84 PolarHBondContact O-N 2.86Å; K84-V101 HydrophobicContact CB-CG1 4.41Å; K84-V101 WeakPolarHBondContact O-CG2 3.27Å; K84-I155 PolarHBondContact NZ-O 2.68Å; K84-K157 PolarHBondContact NZ-O 3.49Å
85L78.5Confident74.3Confident1 Ų164.9 Ų64.91%0.00531%0.311CS..Hα-helixtrans-74-55.1-175.6-71.5178.4000112.9I81 L82 K87 I93 E97 I98 V101 F136 I155I81-L85 HydrophobicContact CG2-CD1 3.59Å; I81-L85 HydrophobicContact CG2-CG 4.25Å; I81-L85 WeakPolarHBondContact O-CB 2.99Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.38Å; I81-L85 PolarHBondContact O-N 3.15Å; L82-L85 PolarHBondContact O-N 2.68Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 3.34Å; L85-I93 HydrophobicContact CB-CD1 3.97Å; L85-I93 HydrophobicContact CB-CG1 4.08Å; L85-I93 HydrophobicContact CB-CG2 4.26Å; L85-I93 HydrophobicContact CD1-CD1 3.77Å; L85-I93 HydrophobicContact CD1-CG2 4.22Å; L85-E97 VanDerWaalsContact O-CB 3.29Å; L85-E97 WeakPolarHBondContact O-CB 3.48Å; L85-E97 WeakPolarHBondContact O-CG 3.09Å; L85-I98 HydrophobicContact CD2-CB 4.42Å; L85-I98 HydrophobicContact CD2-CG1 4.21Å; L85-V101 HydrophobicContact CD2-CB 3.71Å; L85-V101 HydrophobicContact CD2-CG1 4.07Å; L85-V101 HydrophobicContact CD2-CG2 3.81Å; L85-F136 HydrophobicContact CD1-CE2 3.88Å; L85-F136 HydrophobicContact CD1-CZ 3.85Å; L85-I155 HydrophobicContact CD1-CD1 4.05Å; L85-I155 HydrophobicContact CD2-CD1 3.95Å; L85-I155 HydrophobicContact CG-CD1 3.74Å
86D79.9Confident75.4Confident28 Ų2869.3 Ų69.315%0.1533%0.333CS..  trans-74.180.2-178.7-177.27.1000109.6L82 D88 K89 N90 G91L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 3.38Å; D86-D88 VanDerWaalsContact OD1-OD1 3.1Å; D86-K89 VanDerWaalsContact CG-CA 3.49Å; D86-K89 WeakPolarHBondContact OD1-CA 3.29Å; D86-K89 PolarHBondContact OD1-N 3.46Å; D86-K89 WeakPolarHBondContact OD2-CA 3.45Å; D86-N90 PolarHBondContact OD1-N 2.78Å; D86-G91 WeakPolarHBondContact OD2-CA 3.07Å; D86-G91 PolarHBondContact OD2-N 2.9Å
87K75.9Confident76.3Confident89 Ų8963.7 Ų63.739%0.38731%0.308SS..SBendtrans-72.2-37.2-174.3-75.8-174.9175.6-172.90111L85 K89 E97 D100 E104L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 3.34Å; K87-K89 VanDerWaalsContact C-N 3.34Å; K87-E97 PolarHBondContact N-OE1 3.08Å; K87-D100 IonicContact NZ-OD2 3.66Å; K87-D100 PolarHBondContact NZ-OD2 3.33Å; K87-E104 WeakPolarHBondContact CE-OE1 3.26Å; K87-E104 IonicContact NZ-OE1 3.93Å; K87-E104 PolarHBondContact NZ-OE1 3.22Å
88D81.6Confident77.1Confident100 Ų10060.7 Ų60.754%0.53529%0.292SS..SBendtrans-85.8-9.5-179.575.50.6000113.1D86 N90D86-D88 VanDerWaalsContact OD1-OD1 3.1Å; D88-N90 VanDerWaalsContact C-N 3.27Å; D88-N90 PolarHBondContact O-N 2.84Å; D88-N90 VanDerWaalsContact OD1-CB 3.23Å; D88-N90 WeakPolarHBondContact OD1-CB 3.46Å; D88-N90 PolarHBondContact OD1-N 3Å; D88-N90 PolarHBondContact OD1-ND2 3.02Å; D88-N90 PolarHBondContact OD1-OD1 2.99Å; D88-N90 PolarHBondContact OD2-ND2 2.81Å
89K75.3Confident77.8Confident173 Ų17365.4 Ų65.475%0.75231%0.311SS*.  trans62.832.6178.1-55.5177.7-175.91710112.5D86 K87 G91D86-K89 VanDerWaalsContact CG-CA 3.49Å; D86-K89 WeakPolarHBondContact OD1-CA 3.29Å; D86-K89 PolarHBondContact OD1-N 3.46Å; D86-K89 WeakPolarHBondContact OD2-CA 3.45Å; K87-K89 VanDerWaalsContact C-N 3.34Å; K89-G91 VanDerWaalsContact C-N 3.32Å
90N81.4Confident78.6Confident70 Ų7061.6 Ų61.637%0.37430%0.299SS..SBendtrans-85.1-6.9179.274.420.9000112.8D86 D88 Y92D86-N90 PolarHBondContact OD1-N 2.78Å; D88-N90 VanDerWaalsContact C-N 3.27Å; D88-N90 PolarHBondContact O-N 2.84Å; D88-N90 VanDerWaalsContact OD1-CB 3.23Å; D88-N90 WeakPolarHBondContact OD1-CB 3.46Å; D88-N90 PolarHBondContact OD1-N 3Å; D88-N90 PolarHBondContact OD1-ND2 3.02Å; D88-N90 PolarHBondContact OD1-OD1 2.99Å; D88-N90 PolarHBondContact OD2-ND2 2.81Å; N90-Y92 WeakPolarHBondContact O-CD2 3.25Å; N90-Y92 WeakPolarHBondContact OD1-CA 3.36Å; N90-Y92 VanDerWaalsContact OD1-CB 3.29Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.42Å; N90-Y92 WeakPolarHBondContact OD1-CD2 3.17Å; N90-Y92 PolarHBondContact OD1-N 2.82Å; N90-Y92 PolarHBondContact OD1-O 3.27Å
91G75.3Confident79.1Confident39 Ų3958 Ų5840%0.40228%0.283SS..SBendtrans86.16.9-179.500000115D86 K89D86-G91 WeakPolarHBondContact OD2-CA 3.07Å; D86-G91 PolarHBondContact OD2-N 2.9Å; K89-G91 VanDerWaalsContact C-N 3.32Å
92Y83.8Confident79.3Confident80 Ų8057.7 Ų57.731%0.31428%0.281SS..EExtended strand (participates in β ladder)trans-124.1149.2177.3-56.2-93.4000110.3N90 K130 L131 N132N90-Y92 WeakPolarHBondContact O-CD2 3.25Å; N90-Y92 WeakPolarHBondContact OD1-CA 3.36Å; N90-Y92 VanDerWaalsContact OD1-CB 3.29Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.42Å; N90-Y92 WeakPolarHBondContact OD1-CD2 3.17Å; N90-Y92 PolarHBondContact OD1-N 2.82Å; N90-Y92 PolarHBondContact OD1-O 3.27Å; Y92-K130 HydrophobicContact CD1-CD 3.6Å; Y92-K130 HydrophobicContact CD1-CG 3.86Å; Y92-K130 HydrophobicContact CD2-CD 4.4Å; Y92-K130 HydrophobicContact CE1-CD 4.36Å; Y92-K130 HydrophobicContact CG-CD 3.62Å; Y92-K130 HydrophobicContact CG-CG 4.25Å; Y92-L131 CarbonylContact C-O 3.52Å; Y92-L131 WeakPolarHBondContact CA-O 3.12Å; Y92-N132 HydrophobicContact CD1-CB 3.76Å; Y92-N132 HydrophobicContact CE1-CB 3.81Å
93I83.6Confident79.7Confident3 Ų363.2 Ų63.22%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-114.9114.6176.9-64.8168.1000108.3L82 L85 I98 L131 F136L82-I93 HydrophobicContact CD2-CD1 3.27Å; L82-I93 HydrophobicContact CD2-CG1 4.41Å; L85-I93 HydrophobicContact CB-CD1 3.97Å; L85-I93 HydrophobicContact CB-CG1 4.08Å; L85-I93 HydrophobicContact CB-CG2 4.26Å; L85-I93 HydrophobicContact CD1-CD1 3.77Å; L85-I93 HydrophobicContact CD1-CG2 4.22Å; I93-I98 HydrophobicContact CG2-CD1 3.73Å; I93-I98 HydrophobicContact CG2-CG1 3.35Å; I93-L131 HydrophobicContact CB-CB 4.38Å; I93-L131 PolarHBondContact N-O 3.4Å; I93-L131 PolarHBondContact O-N 2.72Å; I93-F136 HydrophobicContact CD1-CD2 3.72Å; I93-F136 HydrophobicContact CD1-CE2 4.02Å; I93-F136 HydrophobicContact CD1-CG 4.08Å
94T85.6Confident79.7Confident43 Ų4362.8 Ų62.826%0.26430%0.301SS..  trans-89.4163.3176.665.10000111.8H96 E97 I98 K130T94-H96 PolarHBondContact O-N 3.05Å; T94-E97 WeakPolarHBondContact CB-OE2 3.2Å; T94-E97 PolarHBondContact N-OE2 3.32Å; T94-E97 PolarHBondContact O-N 3.05Å; T94-E97 WeakPolarHBondContact OG1-CG 3.3Å; T94-E97 PolarHBondContact OG1-N 3.15Å; T94-E97 PolarHBondContact OG1-OE2 3.32Å; T94-I98 WeakPolarHBondContact O-CG1 3.48Å; T94-I98 PolarHBondContact O-N 2.95Å; T94-I98 VanDerWaalsContact O-N 3.15Å; T94-K130 HydrophobicContact CG2-CB 4.18Å
95T83.7Confident79.5Confident44 Ų4460 Ų6027%0.2729%0.293SS..Hα-helixtrans-59.4-29.517353.10000112.1Y99 L116 Q117 I120T95-Y99 VanDerWaalsContact O-CB 3.27Å; T95-Y99 WeakPolarHBondContact O-CB 3.29Å; T95-Y99 PolarHBondContact O-N 3.09Å; T95-L116 HydrophobicContact CG2-CB 4.18Å; T95-Q117 HydrophobicContact CG2-CG 3.93Å; T95-I120 HydrophobicContact CG2-CB 4.49Å; T95-I120 HydrophobicContact CG2-CD1 3.46Å; T95-I120 VanDerWaalsContact CG2-CD1 3.46Å; T95-I120 HydrophobicContact CG2-CG1 3.99Å; T95-I120 VanDerWaalsContact N-CD1 3.27Å
96H84.5Confident79Confident124 Ų12462.7 Ų62.757%0.57432%0.321SS*.Hα-helixtrans-69.8-43.9-179.6-163.570.9000110.8T94 Y99 D100T94-H96 PolarHBondContact O-N 3.05Å; H96-Y99 WeakPolarHBondContact O-CB 3.41Å; H96-Y99 PolarHBondContact O-N 2.99Å; H96-D100 IonicContact NE2-OD1 3.92Å; H96-D100 WeakPolarHBondContact O-CB 3.48Å; H96-D100 PolarHBondContact O-N 3.13Å
97E85.4Confident78.2Confident11 Ų1163 Ų635%0.05132%0.322CS..Hα-helixtrans-63.9-41.4176.2-78.3168.2131.200113.1L85 K87 T94 Y99 D100 V101L85-E97 VanDerWaalsContact O-CB 3.29Å; L85-E97 WeakPolarHBondContact O-CB 3.48Å; L85-E97 WeakPolarHBondContact O-CG 3.09Å; K87-E97 PolarHBondContact N-OE1 3.08Å; T94-E97 WeakPolarHBondContact CB-OE2 3.2Å; T94-E97 PolarHBondContact N-OE2 3.32Å; T94-E97 PolarHBondContact O-N 3.05Å; T94-E97 WeakPolarHBondContact OG1-CG 3.3Å; T94-E97 PolarHBondContact OG1-N 3.15Å; T94-E97 PolarHBondContact OG1-OE2 3.32Å; E97-Y99 VanDerWaalsContact C-N 3.34Å; E97-D100 WeakPolarHBondContact O-CB 3.38Å; E97-D100 PolarHBondContact O-N 3.16Å; E97-V101 WeakPolarHBondContact O-CG2 3.37Å; E97-V101 PolarHBondContact O-N 2.66Å
98I79.8Confident77.5Confident0 Ų064.1 Ų64.10%033%0.327CS..Hα-helixtrans-62.9-45.3173.7-57.5171.1000110.2L85 I93 T94 D100 V101 L102 L116 F119 I120 L153L85-I98 HydrophobicContact CD2-CB 4.42Å; L85-I98 HydrophobicContact CD2-CG1 4.21Å; I93-I98 HydrophobicContact CG2-CD1 3.73Å; I93-I98 HydrophobicContact CG2-CG1 3.35Å; T94-I98 WeakPolarHBondContact O-CG1 3.48Å; T94-I98 PolarHBondContact O-N 2.95Å; T94-I98 VanDerWaalsContact O-N 3.15Å; I98-D100 VanDerWaalsContact C-N 3.33Å; I98-D100 PolarHBondContact O-N 2.82Å; I98-V101 PolarHBondContact O-N 2.99Å; I98-L102 HydrophobicContact CG2-CD1 3.78Å; I98-L102 HydrophobicContact CG2-CG 4.21Å; I98-L102 WeakPolarHBondContact O-CB 3.36Å; I98-L102 WeakPolarHBondContact O-CG 3.48Å; I98-L102 PolarHBondContact O-N 2.81Å; I98-L116 HydrophobicContact CB-CD1 4.44Å; I98-L116 HydrophobicContact CB-CD2 4.35Å; I98-L116 HydrophobicContact CG2-CD1 4.33Å; I98-L116 HydrophobicContact CG2-CD2 3.59Å; I98-F119 HydrophobicContact CD1-CD1 3.91Å; I98-F119 HydrophobicContact CD1-CE1 3.88Å; I98-I120 HydrophobicContact CD1-CD1 4.11Å; I98-I120 HydrophobicContact CD1-CG1 4.13Å; I98-L153 HydrophobicContact CG2-CD1 4.38Å; I98-L153 HydrophobicContact CG2-CD2 3.94Å
99Y81.8Confident76.4Confident100 Ų10066 Ų6639%0.39234%0.338SS..Hα-helixtrans-60.1-44.9178.5-177.3-93.5000111.7T95 H96 E97 L102 Y103 L116T95-Y99 VanDerWaalsContact O-CB 3.27Å; T95-Y99 WeakPolarHBondContact O-CB 3.29Å; T95-Y99 PolarHBondContact O-N 3.09Å; H96-Y99 WeakPolarHBondContact O-CB 3.41Å; H96-Y99 PolarHBondContact O-N 2.99Å; E97-Y99 VanDerWaalsContact C-N 3.34Å; Y99-L102 PolarHBondContact O-N 2.91Å; Y99-Y103 VanDerWaalsContact O-CB 3.27Å; Y99-Y103 WeakPolarHBondContact O-CB 3.39Å; Y99-Y103 PolarHBondContact O-N 3.3Å; Y99-L116 HydrophobicContact CD2-CD1 4.12Å; Y99-L116 HydrophobicContact CG-CD1 4.45Å
100D82.5Confident75.9Confident43 Ų4365.7 Ų65.723%0.2333%0.333CS..Hα-helixtrans-58.5-48.4178-95.318.4000112.4K87 H96 E97 I98 Y103 E104K87-D100 IonicContact NZ-OD2 3.66Å; K87-D100 PolarHBondContact NZ-OD2 3.33Å; H96-D100 IonicContact NE2-OD1 3.92Å; H96-D100 WeakPolarHBondContact O-CB 3.48Å; H96-D100 PolarHBondContact O-N 3.13Å; E97-D100 WeakPolarHBondContact O-CB 3.38Å; E97-D100 PolarHBondContact O-N 3.16Å; I98-D100 VanDerWaalsContact C-N 3.33Å; I98-D100 PolarHBondContact O-N 2.82Å; D100-Y103 WeakPolarHBondContact O-CB 3.23Å; D100-Y103 PolarHBondContact O-N 3.32Å; D100-E104 WeakPolarHBondContact O-CG 3.35Å; D100-E104 PolarHBondContact O-N 3.27Å
101V77.8Confident75.4Confident7 Ų764.2 Ų64.24%0.04232%0.323CS..Hα-helixtrans-70.6-35.6179.1175.20000111.6K84 L85 E97 I98 Y103 E104 S105 I155K84-V101 HydrophobicContact CB-CG1 4.41Å; K84-V101 WeakPolarHBondContact O-CG2 3.27Å; L85-V101 HydrophobicContact CD2-CB 3.71Å; L85-V101 HydrophobicContact CD2-CG1 4.07Å; L85-V101 HydrophobicContact CD2-CG2 3.81Å; E97-V101 WeakPolarHBondContact O-CG2 3.37Å; E97-V101 PolarHBondContact O-N 2.66Å; I98-V101 PolarHBondContact O-N 2.99Å; V101-Y103 VanDerWaalsContact C-N 3.27Å; V101-Y103 PolarHBondContact O-N 3.26Å; V101-E104 PolarHBondContact O-N 3.31Å; V101-S105 WeakPolarHBondContact O-CB 3.24Å; V101-S105 PolarHBondContact O-N 3Å; V101-I155 HydrophobicContact CG1-CB 4.23Å; V101-I155 HydrophobicContact CG1-CD1 4.02Å; V101-I155 HydrophobicContact CG1-CG2 4.21Å
102L72.8Confident75.6Confident5 Ų565 Ų653%0.02632%0.323CS..Hα-helixtrans-64.6-35.5172.3-72.2173.5000111.8I98 Y99 G106 N107 K108 F111 L116 L153 I155I98-L102 HydrophobicContact CG2-CD1 3.78Å; I98-L102 HydrophobicContact CG2-CG 4.21Å; I98-L102 WeakPolarHBondContact O-CB 3.36Å; I98-L102 WeakPolarHBondContact O-CG 3.48Å; I98-L102 PolarHBondContact O-N 2.81Å; Y99-L102 PolarHBondContact O-N 2.91Å; L102-G106 PolarHBondContact O-N 2.77Å; L102-N107 HydrophobicContact CD2-CB 3.97Å; L102-N107 CarbonylContact O-C 3.48Å; L102-N107 WeakPolarHBondContact O-CA 2.99Å; L102-N107 PolarHBondContact O-N 2.92Å; L102-K108 PolarHBondContact O-N 3.45Å; L102-F111 HydrophobicContact CD1-CB 3.99Å; L102-F111 HydrophobicContact CD1-CD2 3.7Å; L102-F111 HydrophobicContact CD1-CG 4.05Å; L102-F111 HydrophobicContact CD2-CD2 4.24Å; L102-F111 HydrophobicContact CD2-CE2 4.47Å; L102-L116 HydrophobicContact CD1-CD1 4.42Å; L102-L116 HydrophobicContact CD1-CD2 3.9Å; L102-L153 HydrophobicContact CD1-CD2 4.09Å; L102-L153 HydrophobicContact CD2-CD2 4.18Å; L102-L153 HydrophobicContact CG-CD2 4.5Å; L102-I155 HydrophobicContact CD2-CG2 3.95Å
103Y77.1Confident75.4Confident139 Ų13965.1 Ų65.155%0.54534%0.335SS..Hα-helixtrans-65-48.7174.6-175.2-92.2000110.9Y99 D100 V101 S105 G106 K108Y99-Y103 VanDerWaalsContact O-CB 3.27Å; Y99-Y103 WeakPolarHBondContact O-CB 3.39Å; Y99-Y103 PolarHBondContact O-N 3.3Å; D100-Y103 WeakPolarHBondContact O-CB 3.23Å; D100-Y103 PolarHBondContact O-N 3.32Å; V101-Y103 VanDerWaalsContact C-N 3.27Å; V101-Y103 PolarHBondContact O-N 3.26Å; Y103-S105 PolarHBondContact O-N 3.41Å; Y103-G106 PolarHBondContact O-N 2.83Å; Y103-K108 HydrophobicContact CD2-CB 4.23Å
104E74.3Confident75.3Confident132 Ų13272.7 Ų72.762%0.61737%0.368SS*.Hα-helixtrans-64.6-36.3177-72.1172-166.200112.8K87 D100 V101 G106K87-E104 WeakPolarHBondContact CE-OE1 3.26Å; K87-E104 IonicContact NZ-OE1 3.93Å; K87-E104 PolarHBondContact NZ-OE1 3.22Å; D100-E104 WeakPolarHBondContact O-CG 3.35Å; D100-E104 PolarHBondContact O-N 3.27Å; V101-E104 PolarHBondContact O-N 3.31Å; E104-G106 PolarHBondContact O-N 2.97Å
105S68.9Low75.2Confident30 Ų3074.4 Ų74.421%0.2138%0.375CS..THydrogen-bonded Turntrans-74.6-6.1178.6-171.10000113.4V101 Y103 N107V101-S105 WeakPolarHBondContact O-CB 3.24Å; V101-S105 PolarHBondContact O-N 3Å; Y103-S105 PolarHBondContact O-N 3.41Å; S105-N107 VanDerWaalsContact C-N 3.25Å; S105-N107 PolarHBondContact O-N 3.28Å; S105-N107 PolarHBondContact OG-ND2 3.26Å; S105-N107 VanDerWaalsContact OG-ND2 3.17Å
106G67.6Low75.1Confident57 Ų5772.4 Ų72.459%0.58836%0.363SS*.THydrogen-bonded Turntrans77.87.8-176.700000114.1L102 Y103 E104 K108L102-G106 PolarHBondContact O-N 2.77Å; Y103-G106 PolarHBondContact O-N 2.83Å; E104-G106 PolarHBondContact O-N 2.97Å; G106-K108 VanDerWaalsContact C-N 3.29Å; G106-K108 PolarHBondContact O-N 3.5Å
107N63.5Low75.1Confident33 Ų3370.8 Ų70.818%0.17636%0.356CS..  trans-91.118.6179.2-74.3-53000113.2L102 S105 N109 Y110L102-N107 HydrophobicContact CD2-CB 3.97Å; L102-N107 CarbonylContact O-C 3.48Å; L102-N107 WeakPolarHBondContact O-CA 2.99Å; L102-N107 PolarHBondContact O-N 2.92Å; S105-N107 VanDerWaalsContact C-N 3.25Å; S105-N107 PolarHBondContact O-N 3.28Å; S105-N107 PolarHBondContact OG-ND2 3.26Å; S105-N107 VanDerWaalsContact OG-ND2 3.17Å; N107-N109 PolarHBondContact O-N 2.79Å; N107-Y110 HydrophobicContact CB-CD2 3.89Å; N107-Y110 WeakPolarHBondContact O-CD2 3.49Å; N107-Y110 PolarHBondContact O-N 3.3Å; N107-Y110 VanDerWaalsContact O-N 3.08Å; N107-Y110 WeakPolarHBondContact OD1-CD2 3.37Å; N107-Y110 WeakPolarHBondContact OD1-CE2 3.13Å
108K60.8Low75.1Confident113 Ų11373.1 Ų73.149%0.49138%0.376SS..THydrogen-bonded Turntrans-51.7-26.4-17664.9177.6-175.4-178.10115.9L102 Y103 G106L102-K108 PolarHBondContact O-N 3.45Å; Y103-K108 HydrophobicContact CD2-CB 4.23Å; G106-K108 VanDerWaalsContact C-N 3.29Å; G106-K108 PolarHBondContact O-N 3.5Å
109N59.6Low75.1Confident141 Ų14174.5 Ų74.575%0.75438%0.383SS*.THydrogen-bonded Turntrans-92.8-2.3-174.7-68-17.9000113.6N107N107-N109 PolarHBondContact O-N 2.79Å
110Y64.9Low75.3Confident166 Ų16669.9 Ų69.965%0.65136%0.364SS*.SBendtrans-92.6-21.1-173.8-68.2-79000113.9N107N107-Y110 HydrophobicContact CB-CD2 3.89Å; N107-Y110 WeakPolarHBondContact O-CD2 3.49Å; N107-Y110 PolarHBondContact O-N 3.3Å; N107-Y110 VanDerWaalsContact O-N 3.08Å; N107-Y110 WeakPolarHBondContact OD1-CD2 3.37Å; N107-Y110 WeakPolarHBondContact OD1-CE2 3.13Å
111F70.6Confident75.4Confident39 Ų3976.7 Ų76.717%0.17139%0.387CS..  trans-136.8120.8-176-64.3-85.9000111L102 D115 L116 L153L102-F111 HydrophobicContact CD1-CB 3.99Å; L102-F111 HydrophobicContact CD1-CD2 3.7Å; L102-F111 HydrophobicContact CD1-CG 4.05Å; L102-F111 HydrophobicContact CD2-CD2 4.24Å; L102-F111 HydrophobicContact CD2-CE2 4.47Å; F111-D115 HydrophobicContact CB-CB 4.49Å; F111-D115 HydrophobicContact CD1-CB 4.2Å; F111-L116 HydrophobicContact CB-CD2 3.84Å; F111-L116 HydrophobicContact CB-CG 4.1Å; F111-L116 HydrophobicContact CD1-CD2 4.33Å; F111-L116 HydrophobicContact CG-CD2 4.18Å; F111-L153 HydrophobicContact CE2-CD2 4.19Å; F111-L153 HydrophobicContact CZ-CD2 4.23Å
112S78.4Confident75.7Confident56 Ų5682.9 Ų82.939%0.39241%0.413SS..  trans-76.9163.3167.871.60000110.9K114 D115 L116S112-K114 PolarHBondContact O-N 3.44Å; S112-K114 PolarHBondContact OG-N 2.82Å; S112-D115 VanDerWaalsContact CB-OD2 3.28Å; S112-D115 WeakPolarHBondContact CB-OD2 3.17Å; S112-D115 PolarHBondContact N-OD2 3.16Å; S112-D115 WeakPolarHBondContact O-CB 3.37Å; S112-D115 PolarHBondContact O-N 3.38Å; S112-D115 PolarHBondContact OG-N 2.81Å; S112-D115 PolarHBondContact OG-OD2 3.09Å; S112-L116 PolarHBondContact O-N 3.07Å
113S79.5Confident76.1Confident82 Ų8283.2 Ų83.257%0.57341%0.414SS*.Hα-helixtrans-55-34.1172.255.90000112.4L116 Q117S113-L116 PolarHBondContact O-N 3.34Å; S113-Q117 WeakPolarHBondContact O-CG 3.28Å; S113-Q117 PolarHBondContact O-N 3.09Å
114K83.1Confident76.6Confident162 Ų16277.7 Ų77.770%0.70439%0.394SS*.Hα-helixtrans-68.7-37.7176-168.8178.6-179.9-178.10112.1S112 Q117 A118S112-K114 PolarHBondContact O-N 3.44Å; S112-K114 PolarHBondContact OG-N 2.82Å; K114-Q117 PolarHBondContact O-N 2.93Å; K114-A118 WeakPolarHBondContact O-CB 3.45Å; K114-A118 PolarHBondContact O-N 2.76Å
115D82.7Confident77Confident79 Ų7977.5 Ų77.542%0.42239%0.393SS..Hα-helixtrans-67-40.9176-58.4-49.2000111.1F111 S112 A118 F119F111-D115 HydrophobicContact CB-CB 4.49Å; F111-D115 HydrophobicContact CD1-CB 4.2Å; S112-D115 VanDerWaalsContact CB-OD2 3.28Å; S112-D115 WeakPolarHBondContact CB-OD2 3.17Å; S112-D115 PolarHBondContact N-OD2 3.16Å; S112-D115 WeakPolarHBondContact O-CB 3.37Å; S112-D115 PolarHBondContact O-N 3.38Å; S112-D115 PolarHBondContact OG-N 2.81Å; S112-D115 PolarHBondContact OG-OD2 3.09Å; D115-A118 PolarHBondContact O-N 2.78Å; D115-F119 WeakPolarHBondContact O-CB 3.36Å; D115-F119 PolarHBondContact O-N 3.29Å
116L82.1Confident77.8Confident1 Ų180.5 Ų80.51%0.00541%0.407CS..Hα-helixtrans-67.3-39.7176.3-64.4-177.7000112.4T95 I98 Y99 L102 F111 S112 S113 F119 I120T95-L116 HydrophobicContact CG2-CB 4.18Å; I98-L116 HydrophobicContact CB-CD1 4.44Å; I98-L116 HydrophobicContact CB-CD2 4.35Å; I98-L116 HydrophobicContact CG2-CD1 4.33Å; I98-L116 HydrophobicContact CG2-CD2 3.59Å; Y99-L116 HydrophobicContact CD2-CD1 4.12Å; Y99-L116 HydrophobicContact CG-CD1 4.45Å; L102-L116 HydrophobicContact CD1-CD1 4.42Å; L102-L116 HydrophobicContact CD1-CD2 3.9Å; F111-L116 HydrophobicContact CB-CD2 3.84Å; F111-L116 HydrophobicContact CB-CG 4.1Å; F111-L116 HydrophobicContact CD1-CD2 4.33Å; F111-L116 HydrophobicContact CG-CD2 4.18Å; S112-L116 PolarHBondContact O-N 3.07Å; S113-L116 PolarHBondContact O-N 3.34Å; L116-F119 WeakPolarHBondContact O-CB 3.41Å; L116-F119 PolarHBondContact O-N 2.99Å; L116-I120 PolarHBondContact O-N 2.99Å
117Q84.5Confident78.6Confident91 Ų9180.6 Ų80.643%0.42541%0.408SS..Hα-helixtrans-64.1-41.5173.1-76.5178.119.500111.9T95 S113 K114 F119 I120 R121T95-Q117 HydrophobicContact CG2-CG 3.93Å; S113-Q117 WeakPolarHBondContact O-CG 3.28Å; S113-Q117 PolarHBondContact O-N 3.09Å; K114-Q117 PolarHBondContact O-N 2.93Å; Q117-F119 VanDerWaalsContact C-N 3.28Å; Q117-F119 PolarHBondContact O-N 3Å; Q117-I120 PolarHBondContact O-N 3.32Å; Q117-R121 VanDerWaalsContact O-CB 3.32Å; Q117-R121 WeakPolarHBondContact O-CB 3.45Å; Q117-R121 WeakPolarHBondContact O-CG 3.42Å; Q117-R121 PolarHBondContact O-N 2.8Å
118A84.5Confident79.7Confident59 Ų5982.2 Ų82.249%0.48842%0.417SS..Hα-helixtrans-65-35.8175.400000111.7K114 D115 K122K114-A118 WeakPolarHBondContact O-CB 3.45Å; K114-A118 PolarHBondContact O-N 2.76Å; D115-A118 PolarHBondContact O-N 2.78Å; A118-K122 WeakPolarHBondContact O-CB 3.33Å; A118-K122 PolarHBondContact O-N 2.82Å
119F81.3Confident80.9Confident30 Ų3078.9 Ų78.913%0.13241%0.414CS..Hα-helixtrans-63-52.7174.3171.9-103000111.8I98 D115 L116 Q117 K122 Y123 L131 F136 Y139 L153I98-F119 HydrophobicContact CD1-CD1 3.91Å; I98-F119 HydrophobicContact CD1-CE1 3.88Å; D115-F119 WeakPolarHBondContact O-CB 3.36Å; D115-F119 PolarHBondContact O-N 3.29Å; L116-F119 WeakPolarHBondContact O-CB 3.41Å; L116-F119 PolarHBondContact O-N 2.99Å; Q117-F119 VanDerWaalsContact C-N 3.28Å; Q117-F119 PolarHBondContact O-N 3Å; F119-K122 WeakPolarHBondContact O-CB 3.23Å; F119-K122 PolarHBondContact O-N 2.94Å; F119-Y123 HydrophobicContact CD2-CD2 4.24Å; F119-Y123 HydrophobicContact CD2-CE2 4.22Å; F119-Y123 AromaticContact CE2-CD2 3.88Å; F119-Y123 HydrophobicContact CE2-CD2 3.88Å; F119-Y123 AromaticContact CE2-CE2 3.86Å; F119-Y123 HydrophobicContact CE2-CE2 3.86Å; F119-Y123 HydrophobicContact CZ-CD2 4.34Å; F119-Y123 WeakPolarHBondContact O-CD2 3.32Å; F119-L131 HydrophobicContact CD1-CD1 4.19Å; F119-L131 HydrophobicContact CE1-CD1 3.51Å; F119-L131 HydrophobicContact CZ-CD1 4.08Å; F119-F136 HydrophobicContact CE1-CE2 4.44Å; F119-F136 HydrophobicContact CZ-CE2 4.37Å; F119-Y139 HydrophobicContact CD2-CE2 4.42Å; F119-Y139 AromaticContact CE2-CD1 3.97Å; F119-Y139 HydrophobicContact CE2-CD1 3.97Å; F119-Y139 AromaticContact CE2-CD2 3.49Å; F119-Y139 HydrophobicContact CE2-CD2 3.49Å; F119-Y139 VanDerWaalsContact CE2-CD2 3.49Å; F119-Y139 AromaticContact CE2-CE1 3.95Å; F119-Y139 HydrophobicContact CE2-CE1 3.95Å; F119-Y139 AromaticContact CE2-CE2 3.44Å; F119-Y139 HydrophobicContact CE2-CE2 3.44Å; F119-Y139 VanDerWaalsContact CE2-CE2 3.44Å; F119-Y139 AromaticContact CE2-CG 3.72Å; F119-Y139 HydrophobicContact CE2-CG 3.72Å; F119-Y139 AromaticContact CE2-CZ 3.67Å; F119-Y139 AromaticContact CZ-CD1 3.68Å; F119-Y139 HydrophobicContact CZ-CD1 3.68Å; F119-Y139 HydrophobicContact CZ-CD2 4.03Å; F119-Y139 AromaticContact CZ-CE1 3.83Å; F119-Y139 HydrophobicContact CZ-CE1 3.83Å; F119-Y139 HydrophobicContact CZ-CE2 4.14Å; F119-Y139 AromaticContact CZ-CG 3.76Å; F119-Y139 HydrophobicContact CZ-CG 3.76Å; F119-L153 HydrophobicContact CD1-CD1 4.06Å; F119-L153 HydrophobicContact CE1-CD1 3.47Å; F119-L153 VanDerWaalsContact CE1-CD1 3.47Å; F119-L153 HydrophobicContact CE2-CD1 4.01Å; F119-L153 HydrophobicContact CZ-CD1 3.45Å; F119-L153 VanDerWaalsContact CZ-CD1 3.45Å
120I84.2Confident82.2Confident2 Ų274.8 Ų74.81%0.0139%0.39CS..Hα-helixtrans-59.9-52.6178.3-68.2-163.1000110.3T95 I98 L116 Q117 K122 Y123 D124 L131T95-I120 HydrophobicContact CG2-CB 4.49Å; T95-I120 HydrophobicContact CG2-CD1 3.46Å; T95-I120 VanDerWaalsContact CG2-CD1 3.46Å; T95-I120 HydrophobicContact CG2-CG1 3.99Å; T95-I120 VanDerWaalsContact N-CD1 3.27Å; I98-I120 HydrophobicContact CD1-CD1 4.11Å; I98-I120 HydrophobicContact CD1-CG1 4.13Å; L116-I120 PolarHBondContact O-N 2.99Å; Q117-I120 PolarHBondContact O-N 3.32Å; I120-K122 PolarHBondContact O-N 2.78Å; I120-Y123 PolarHBondContact O-N 3.26Å; I120-D124 HydrophobicContact CG2-CB 3.96Å; I120-D124 WeakPolarHBondContact O-CB 3.39Å; I120-D124 PolarHBondContact O-N 3.48Å; I120-L131 HydrophobicContact CB-CG 4.29Å; I120-L131 HydrophobicContact CD1-CG 4.47Å; I120-L131 HydrophobicContact CG1-CD1 4.1Å; I120-L131 HydrophobicContact CG1-CG 4.03Å; I120-L131 HydrophobicContact CG2-CD2 4.13Å; I120-L131 HydrophobicContact CG2-CG 4.04Å
121R85.6Confident83.1Confident186 Ų18666.9 Ų66.970%0.70236%0.359SS*.Hα-helixtrans-56.8-21.4-179.9-73.1175.4-178.5-145.90.4115Q117Q117-R121 VanDerWaalsContact O-CB 3.32Å; Q117-R121 WeakPolarHBondContact O-CB 3.45Å; Q117-R121 WeakPolarHBondContact O-CG 3.42Å; Q117-R121 PolarHBondContact O-N 2.8Å
122K84.1Confident83.6Confident137 Ų13766.5 Ų66.560%0.59636%0.359SS*.Hα-helixtrans-73.5-31.9177-173.9-178.8175.3-151.10111.8A118 F119 I120 E142A118-K122 WeakPolarHBondContact O-CB 3.33Å; A118-K122 PolarHBondContact O-N 2.82Å; F119-K122 WeakPolarHBondContact O-CB 3.23Å; F119-K122 PolarHBondContact O-N 2.94Å; I120-K122 PolarHBondContact O-N 2.78Å; K122-E142 IonicContact NZ-OE2 3.41Å
123Y81.7Confident83.3Confident13 Ų1366.3 Ų66.35%0.05135%0.35CS..Hα-helixtrans-113.5-19.8-172.1-67.8-69.6000113.8F119 I120 Q125 E135 Y139 E142F119-Y123 HydrophobicContact CD2-CD2 4.24Å; F119-Y123 HydrophobicContact CD2-CE2 4.22Å; F119-Y123 AromaticContact CE2-CD2 3.88Å; F119-Y123 HydrophobicContact CE2-CD2 3.88Å; F119-Y123 AromaticContact CE2-CE2 3.86Å; F119-Y123 HydrophobicContact CE2-CE2 3.86Å; F119-Y123 HydrophobicContact CZ-CD2 4.34Å; F119-Y123 WeakPolarHBondContact O-CD2 3.32Å; I120-Y123 PolarHBondContact O-N 3.26Å; Y123-Q125 PolarHBondContact O-N 3.48Å; Y123-E135 VanDerWaalsContact O-CB 3.24Å; Y123-E135 WeakPolarHBondContact O-CB 3.34Å; Y123-E135 VanDerWaalsContact O-CG 3.23Å; Y123-E135 WeakPolarHBondContact O-CG 3.39Å; Y123-Y139 HydrophobicContact CD2-CD2 4.07Å; Y123-Y139 HydrophobicContact CD2-CG 4.21Å; Y123-Y139 HydrophobicContact CE1-CD2 4.35Å; Y123-Y139 AromaticContact CE2-CD2 3.34Å; Y123-Y139 HydrophobicContact CE2-CD2 3.34Å; Y123-Y139 HydrophobicContact CE2-CE2 4.25Å; Y123-Y139 AromaticContact CE2-CG 3.91Å; Y123-Y139 HydrophobicContact CE2-CG 3.91Å; Y123-Y139 AromaticContact CZ-CD2 3.52Å; Y123-E142 WeakPolarHBondContact CE1-OE2 3.37Å; Y123-E142 VanDerWaalsContact CZ-OE2 3.27Å; Y123-E142 PolarHBondContact OH-OE2 3.46Å
124D86.8Confident83.1Confident22 Ų2266.2 Ų66.212%0.11834%0.34CS..  trans-6394.4170176.411.1000109.4I120 G127 D128 G129 L131I120-D124 HydrophobicContact CG2-CB 3.96Å; I120-D124 WeakPolarHBondContact O-CB 3.39Å; I120-D124 PolarHBondContact O-N 3.48Å; D124-G127 WeakPolarHBondContact OD1-CA 3.34Å; D124-G127 PolarHBondContact OD1-N 3.4Å; D124-D128 PolarHBondContact OD1-N 3.39Å; D124-G129 VanDerWaalsContact OD2-CA 3.23Å; D124-G129 WeakPolarHBondContact OD2-CA 3.37Å; D124-G129 PolarHBondContact OD2-N 3.4Å; D124-L131 HydrophobicContact CB-CD2 4.16Å
125Q82.8Confident83Confident128 Ų12858.6 Ų58.660%0.59831%0.307SS*.SBendtrans-84.2-32.4-176.7-73.3179.66.900111.1Y123 E135 D138Y123-Q125 PolarHBondContact O-N 3.48Å; Q125-E135 HydrophobicContact CB-CG 4.39Å; Q125-E135 PolarHBondContact N-OE1 2.97Å; Q125-D138 PolarHBondContact NE2-OD2 3.22Å
126D86.4Confident82.5Confident93 Ų9355 Ų5550%0.49729%0.288SS..SBendtrans-84.6-15.2178.468.622.8000113.4D128 E135D126-D128 VanDerWaalsContact OD1-CB 3.26Å; D126-D128 WeakPolarHBondContact OD1-CB 3.47Å; D126-D128 PolarHBondContact OD1-N 2.78Å; D126-E135 PolarHBondContact N-OE1 3.14Å
127G83.7Confident81.9Confident59 Ų5955.5 Ų55.561%0.60829%0.29SS*.  trans80.320.5174.500000113.7D124 G129D124-G127 WeakPolarHBondContact OD1-CA 3.34Å; D124-G127 PolarHBondContact OD1-N 3.4Å; G127-G129 VanDerWaalsContact C-N 3.29Å
128D87.2Confident81.3Confident67 Ų6752.3 Ų52.336%0.35828%0.276SS..SBendtrans-82.6-5.1-176.679.41.6000114D124 D126 K130D124-D128 PolarHBondContact OD1-N 3.39Å; D126-D128 VanDerWaalsContact OD1-CB 3.26Å; D126-D128 WeakPolarHBondContact OD1-CB 3.47Å; D126-D128 PolarHBondContact OD1-N 2.78Å; D128-K130 VanDerWaalsContact C-N 3.35Å; D128-K130 VanDerWaalsContact CG-CG 3.4Å; D128-K130 WeakPolarHBondContact OD1-CG 3.47Å; D128-K130 PolarHBondContact OD1-N 2.84Å; D128-K130 VanDerWaalsContact OD1-O 3.1Å; D128-K130 WeakPolarHBondContact OD2-CE 3.49Å; D128-K130 VanDerWaalsContact OD2-CG 3.31Å; D128-K130 WeakPolarHBondContact OD2-CG 3.3Å; D128-K130 IonicContact OD2-NZ 2.71Å
129G85Confident80.7Confident43 Ų4350 Ų5044%0.44326%0.255SS..SBendtrans8110.1176.700000114.6D124 G127D124-G129 VanDerWaalsContact OD2-CA 3.23Å; D124-G129 WeakPolarHBondContact OD2-CA 3.37Å; D124-G129 PolarHBondContact OD2-N 3.4Å; G127-G129 VanDerWaalsContact C-N 3.29Å
130K86.4Confident79.8Confident55 Ų5549.5 Ų49.524%0.23925%0.253CS..SBendtrans-130.9168.4172.551.1-174.6-172.2162.70108.4Y92 T94 D128Y92-K130 HydrophobicContact CD1-CD 3.6Å; Y92-K130 HydrophobicContact CD1-CG 3.86Å; Y92-K130 HydrophobicContact CD2-CD 4.4Å; Y92-K130 HydrophobicContact CE1-CD 4.36Å; Y92-K130 HydrophobicContact CG-CD 3.62Å; Y92-K130 HydrophobicContact CG-CG 4.25Å; T94-K130 HydrophobicContact CG2-CB 4.18Å; D128-K130 VanDerWaalsContact C-N 3.35Å; D128-K130 VanDerWaalsContact CG-CG 3.4Å; D128-K130 WeakPolarHBondContact OD1-CG 3.47Å; D128-K130 PolarHBondContact OD1-N 2.84Å; D128-K130 VanDerWaalsContact OD1-O 3.1Å; D128-K130 WeakPolarHBondContact OD2-CE 3.49Å; D128-K130 VanDerWaalsContact OD2-CG 3.31Å; D128-K130 WeakPolarHBondContact OD2-CG 3.3Å; D128-K130 IonicContact OD2-NZ 2.71Å
131L84.2Confident78.8Confident0 Ų052.2 Ų52.20%027%0.267CS..EExtended strand (participates in β ladder)trans-107.8113.8176.2-66.5178000109.1Y92 I93 F119 I120 D124 E135 F136Y92-L131 CarbonylContact C-O 3.52Å; Y92-L131 WeakPolarHBondContact CA-O 3.12Å; I93-L131 HydrophobicContact CB-CB 4.38Å; I93-L131 PolarHBondContact N-O 3.4Å; I93-L131 PolarHBondContact O-N 2.72Å; F119-L131 HydrophobicContact CD1-CD1 4.19Å; F119-L131 HydrophobicContact CE1-CD1 3.51Å; F119-L131 HydrophobicContact CZ-CD1 4.08Å; I120-L131 HydrophobicContact CB-CG 4.29Å; I120-L131 HydrophobicContact CD1-CG 4.47Å; I120-L131 HydrophobicContact CG1-CD1 4.1Å; I120-L131 HydrophobicContact CG1-CG 4.03Å; I120-L131 HydrophobicContact CG2-CD2 4.13Å; I120-L131 HydrophobicContact CG2-CG 4.04Å; D124-L131 HydrophobicContact CB-CD2 4.16Å; L131-E135 WeakPolarHBondContact CA-OE2 3.39Å; L131-E135 HydrophobicContact CD2-CB 3.88Å; L131-F136 HydrophobicContact CB-CB 4.48Å; L131-F136 HydrophobicContact CD1-CD2 3.92Å
132N81.4Confident78Confident32 Ų3249 Ų4917%0.17126%0.26CS..EExtended strand (participates in β ladder)trans-72.6170.6167.66950.2000110.6Y92 H134 E135 F136Y92-N132 HydrophobicContact CD1-CB 3.76Å; Y92-N132 HydrophobicContact CE1-CB 3.81Å; N132-H134 PolarHBondContact O-N 2.9Å; N132-H134 WeakPolarHBondContact OD1-CA 3.07Å; N132-H134 VanDerWaalsContact OD1-CB 3.24Å; N132-H134 WeakPolarHBondContact OD1-CB 3.45Å; N132-H134 PolarHBondContact OD1-N 3.33Å; N132-E135 VanDerWaalsContact CG-OE2 3.24Å; N132-E135 PolarHBondContact N-OE2 3.49Å; N132-E135 PolarHBondContact ND2-OE1 3.46Å; N132-E135 PolarHBondContact ND2-OE2 3.16Å; N132-E135 VanDerWaalsContact ND2-OE2 3.14Å; N132-E135 PolarHBondContact O-N 3.09Å; N132-E135 WeakPolarHBondContact OD1-CG 3.37Å; N132-E135 PolarHBondContact OD1-N 2.94Å; N132-F136 PolarHBondContact O-N 3.36Å
133Y73Confident76.9Confident52 Ų5243.9 Ų43.920%0.20424%0.239CC..Hα-helixtrans-51.8-39.4179.1-179.5-82.7000113.4C39 Y75 Y78 L82 L137C39-Y133 HydrophobicContact CB-CD1 3.42Å; C39-Y133 VanDerWaalsContact CB-CD1 3.42Å; C39-Y133 HydrophobicContact CB-CE1 3.35Å; Y75-Y133 VanDerWaalsContact CE2-OH 3.24Å; Y75-Y133 WeakPolarHBondContact CE2-OH 3.2Å; Y75-Y133 PolarHBondContact OH-OH 2.93Å; Y78-Y133 HydrophobicContact CE1-CD2 4.44Å; Y78-Y133 AromaticContact CE1-CE2 3.63Å; Y78-Y133 HydrophobicContact CE1-CE2 3.63Å; Y78-Y133 AromaticContact CE1-CZ 3.76Å; Y78-Y133 AromaticContact CZ-CD2 3.95Å; Y78-Y133 AromaticContact CZ-CE2 3.57Å; Y78-Y133 AromaticContact CZ-CZ 3.83Å; Y78-Y133 WeakPolarHBondContact OH-CD1 3.45Å; Y78-Y133 WeakPolarHBondContact OH-CD2 3.43Å; Y78-Y133 WeakPolarHBondContact OH-CE1 3.21Å; Y78-Y133 WeakPolarHBondContact OH-CE2 3.43Å; Y78-Y133 VanDerWaalsContact OH-CG 3.24Å; Y78-Y133 PolarHBondContact OH-O 2.86Å; L82-Y133 HydrophobicContact CD1-CD2 3.52Å; L82-Y133 HydrophobicContact CD1-CE2 3.7Å; Y133-L137 HydrophobicContact CD1-CD1 3.76Å; Y133-L137 HydrophobicContact CD1-CG 4.29Å; Y133-L137 HydrophobicContact CE1-CD1 3.24Å; Y133-L137 HydrophobicContact CE1-CG 4.02Å; Y133-L137 VanDerWaalsContact O-CG 3.31Å; Y133-L137 WeakPolarHBondContact O-CG 3.22Å; Y133-L137 PolarHBondContact O-N 3.14Å; Y133-L137 VanDerWaalsContact O-N 3.16Å
134H73.8Confident75.5Confident80 Ų8047 Ų4737%0.3726%0.26SS..Hα-helixtrans-69.5-45.2-177.7-176.979.4000111.7N132 L137 D138N132-H134 PolarHBondContact O-N 2.9Å; N132-H134 WeakPolarHBondContact OD1-CA 3.07Å; N132-H134 VanDerWaalsContact OD1-CB 3.24Å; N132-H134 WeakPolarHBondContact OD1-CB 3.45Å; N132-H134 PolarHBondContact OD1-N 3.33Å; H134-L137 WeakPolarHBondContact O-CB 3.44Å; H134-L137 PolarHBondContact O-N 2.84Å; H134-D138 IonicContact NE2-OD2 2.78Å; H134-D138 PolarHBondContact O-N 2.9Å; H134-D138 VanDerWaalsContact O-N 3.1Å
135E81.5Confident73.7Confident2 Ų251.6 Ų51.61%0.00929%0.29CS..Hα-helixtrans-68-40.7-178.9-67.2167.3153.600112.1Y123 Q125 D126 L131 N132 L137 D138 Y139Y123-E135 VanDerWaalsContact O-CB 3.24Å; Y123-E135 WeakPolarHBondContact O-CB 3.34Å; Y123-E135 VanDerWaalsContact O-CG 3.23Å; Y123-E135 WeakPolarHBondContact O-CG 3.39Å; Q125-E135 HydrophobicContact CB-CG 4.39Å; Q125-E135 PolarHBondContact N-OE1 2.97Å; D126-E135 PolarHBondContact N-OE1 3.14Å; L131-E135 WeakPolarHBondContact CA-OE2 3.39Å; L131-E135 HydrophobicContact CD2-CB 3.88Å; N132-E135 VanDerWaalsContact CG-OE2 3.24Å; N132-E135 PolarHBondContact N-OE2 3.49Å; N132-E135 PolarHBondContact ND2-OE1 3.46Å; N132-E135 PolarHBondContact ND2-OE2 3.16Å; N132-E135 VanDerWaalsContact ND2-OE2 3.14Å; N132-E135 PolarHBondContact O-N 3.09Å; N132-E135 WeakPolarHBondContact OD1-CG 3.37Å; N132-E135 PolarHBondContact OD1-N 2.94Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 2.68Å; E135-D138 PolarHBondContact O-N 3.37Å; E135-Y139 PolarHBondContact O-N 3.09Å; E135-Y139 VanDerWaalsContact O-N 3.12Å
136F73Confident71.9Confident3 Ų348.8 Ų48.81%0.01328%0.284CS..Hα-helixtrans-66.5-32174.4-162.4-84.1000112Y78 I81 L82 L85 I93 F119 L131 N132 Y139 L140Y78-F136 AromaticContact CD2-CD1 3.81Å; Y78-F136 HydrophobicContact CD2-CD1 3.81Å; Y78-F136 HydrophobicContact CD2-CE1 4.01Å; Y78-F136 AromaticContact CE2-CD1 3.64Å; Y78-F136 HydrophobicContact CE2-CD1 3.64Å; Y78-F136 HydrophobicContact CE2-CE1 4.28Å; I81-F136 HydrophobicContact CG2-CE1 3.74Å; I81-F136 HydrophobicContact CG2-CZ 3.62Å; L82-F136 HydrophobicContact CD2-CD1 4.01Å; L82-F136 HydrophobicContact CD2-CE1 4.4Å; L82-F136 HydrophobicContact CD2-CG 4.24Å; L85-F136 HydrophobicContact CD1-CE2 3.88Å; L85-F136 HydrophobicContact CD1-CZ 3.85Å; I93-F136 HydrophobicContact CD1-CD2 3.72Å; I93-F136 HydrophobicContact CD1-CE2 4.02Å; I93-F136 HydrophobicContact CD1-CG 4.08Å; F119-F136 HydrophobicContact CE1-CE2 4.44Å; F119-F136 HydrophobicContact CZ-CE2 4.37Å; L131-F136 HydrophobicContact CB-CB 4.48Å; L131-F136 HydrophobicContact CD1-CD2 3.92Å; N132-F136 PolarHBondContact O-N 3.36Å; F136-Y139 HydrophobicContact CE1-CD1 4.43Å; F136-Y139 HydrophobicContact CE2-CD1 4.37Å; F136-Y139 HydrophobicContact CZ-CD1 4.25Å; F136-Y139 HydrophobicContact CZ-CE1 4.45Å; F136-Y139 WeakPolarHBondContact O-CB 3.44Å; F136-Y139 PolarHBondContact O-N 3.21Å; F136-L140 PolarHBondContact O-N 3.11Å; F136-L140 VanDerWaalsContact O-N 3.08Å
137L69.2Low70Confident12 Ų1254.2 Ų54.26%0.06331%0.306CS..Hα-helixtrans-65.1-39.1172.2-80.9-179.5000112.2Y78 Y133 H134 E135 L140 L141Y78-L137 HydrophobicContact CD1-CD2 4.21Å; Y78-L137 HydrophobicContact CD2-CD2 4.2Å; Y78-L137 HydrophobicContact CE1-CD2 3.75Å; Y78-L137 HydrophobicContact CE1-CG 4.47Å; Y78-L137 HydrophobicContact CE2-CD2 3.71Å; Y78-L137 HydrophobicContact CE2-CG 4.16Å; Y78-L137 HydrophobicContact CG-CD2 4.37Å; Y78-L137 VanDerWaalsContact CZ-CD2 3.41Å; Y78-L137 WeakPolarHBondContact OH-CG 3.07Å; Y133-L137 HydrophobicContact CD1-CD1 3.76Å; Y133-L137 HydrophobicContact CD1-CG 4.29Å; Y133-L137 HydrophobicContact CE1-CD1 3.24Å; Y133-L137 HydrophobicContact CE1-CG 4.02Å; Y133-L137 VanDerWaalsContact O-CG 3.31Å; Y133-L137 WeakPolarHBondContact O-CG 3.22Å; Y133-L137 PolarHBondContact O-N 3.14Å; Y133-L137 VanDerWaalsContact O-N 3.16Å; H134-L137 WeakPolarHBondContact O-CB 3.44Å; H134-L137 PolarHBondContact O-N 2.84Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 2.68Å; L137-L140 HydrophobicContact CD2-CD2 4.39Å; L137-L140 WeakPolarHBondContact O-CB 3.31Å; L137-L140 PolarHBondContact O-N 3.19Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.33Å
138D71.9Confident67.9Low24 Ų2454.4 Ų54.413%0.12831%0.309CS..Hα-helixtrans-63.9-43.4176.3-81.6-21.3000111.3R43 Q125 H134 E135 L140 L141 E142R43-D138 IonicContact CZ-OD1 3.53Å; R43-D138 IonicContact NH1-OD1 3.83Å; R43-D138 IonicContact NH2-OD1 2.9Å; R43-D138 PolarHBondContact NH2-OD1 3.11Å; Q125-D138 PolarHBondContact NE2-OD2 3.22Å; H134-D138 IonicContact NE2-OD2 2.78Å; H134-D138 PolarHBondContact O-N 2.9Å; H134-D138 VanDerWaalsContact O-N 3.1Å; E135-D138 PolarHBondContact O-N 3.37Å; D138-L140 VanDerWaalsContact C-N 3.29Å; D138-L140 PolarHBondContact O-N 3.36Å; D138-L141 PolarHBondContact O-N 3.29Å; D138-E142 PolarHBondContact O-N 3.11Å
139Y71.8Confident65.5Low11 Ų1153.9 Ų53.94%0.04331%0.309CS..Hα-helixtrans-51.7-50.9170163-117.4000112.1F119 Y123 E135 F136 L141 E142 Q143 L153F119-Y139 HydrophobicContact CD2-CE2 4.42Å; F119-Y139 AromaticContact CE2-CD1 3.97Å; F119-Y139 HydrophobicContact CE2-CD1 3.97Å; F119-Y139 AromaticContact CE2-CD2 3.49Å; F119-Y139 HydrophobicContact CE2-CD2 3.49Å; F119-Y139 VanDerWaalsContact CE2-CD2 3.49Å; F119-Y139 AromaticContact CE2-CE1 3.95Å; F119-Y139 HydrophobicContact CE2-CE1 3.95Å; F119-Y139 AromaticContact CE2-CE2 3.44Å; F119-Y139 HydrophobicContact CE2-CE2 3.44Å; F119-Y139 VanDerWaalsContact CE2-CE2 3.44Å; F119-Y139 AromaticContact CE2-CG 3.72Å; F119-Y139 HydrophobicContact CE2-CG 3.72Å; F119-Y139 AromaticContact CE2-CZ 3.67Å; F119-Y139 AromaticContact CZ-CD1 3.68Å; F119-Y139 HydrophobicContact CZ-CD1 3.68Å; F119-Y139 HydrophobicContact CZ-CD2 4.03Å; F119-Y139 AromaticContact CZ-CE1 3.83Å; F119-Y139 HydrophobicContact CZ-CE1 3.83Å; F119-Y139 HydrophobicContact CZ-CE2 4.14Å; F119-Y139 AromaticContact CZ-CG 3.76Å; F119-Y139 HydrophobicContact CZ-CG 3.76Å; Y123-Y139 HydrophobicContact CD2-CD2 4.07Å; Y123-Y139 HydrophobicContact CD2-CG 4.21Å; Y123-Y139 HydrophobicContact CE1-CD2 4.35Å; Y123-Y139 AromaticContact CE2-CD2 3.34Å; Y123-Y139 HydrophobicContact CE2-CD2 3.34Å; Y123-Y139 HydrophobicContact CE2-CE2 4.25Å; Y123-Y139 AromaticContact CE2-CG 3.91Å; Y123-Y139 HydrophobicContact CE2-CG 3.91Å; Y123-Y139 AromaticContact CZ-CD2 3.52Å; E135-Y139 PolarHBondContact O-N 3.09Å; E135-Y139 VanDerWaalsContact O-N 3.12Å; F136-Y139 HydrophobicContact CE1-CD1 4.43Å; F136-Y139 HydrophobicContact CE2-CD1 4.37Å; F136-Y139 HydrophobicContact CZ-CD1 4.25Å; F136-Y139 HydrophobicContact CZ-CE1 4.45Å; F136-Y139 WeakPolarHBondContact O-CB 3.44Å; F136-Y139 PolarHBondContact O-N 3.21Å; Y139-L141 PolarHBondContact O-N 3.26Å; Y139-E142 PolarHBondContact O-N 3.37Å; Y139-Q143 HydrophobicContact CD2-CG 4.23Å; Y139-Q143 VanDerWaalsContact CD2-NE2 3.3Å; Y139-Q143 HydrophobicContact CE1-CG 4.46Å; Y139-Q143 HydrophobicContact CE2-CG 3.77Å; Y139-Q143 WeakPolarHBondContact O-CG 3.1Å; Y139-Q143 PolarHBondContact O-N 3.06Å; Y139-Q143 PolarHBondContact O-NE2 2.84Å; Y139-L153 HydrophobicContact CE1-CD1 4.32Å; Y139-L153 PolarHBondContact OH-N 3.46Å
140L62.4Low63.3Low19 Ų1957.5 Ų57.510%0.09933%0.325CS..Hα-helixtrans-61.3-48.8-176.5-176.766.5000109.8K74 Y78 F136 L137 D138 E142 Q143K74-L140 HydrophobicContact CD-CD1 4.28Å; K74-L140 HydrophobicContact CD-CD2 4.43Å; K74-L140 HydrophobicContact CD-CG 3.97Å; K74-L140 WeakPolarHBondContact CE-O 3.31Å; K74-L140 HydrophobicContact CG-CD1 3.77Å; K74-L140 HydrophobicContact CG-CD2 3.89Å; K74-L140 HydrophobicContact CG-CG 3.75Å; K74-L140 PolarHBondContact NZ-O 3.41Å; Y78-L140 HydrophobicContact CD2-CD2 3.92Å; Y78-L140 HydrophobicContact CG-CD2 3.91Å; F136-L140 PolarHBondContact O-N 3.11Å; F136-L140 VanDerWaalsContact O-N 3.08Å; L137-L140 HydrophobicContact CD2-CD2 4.39Å; L137-L140 WeakPolarHBondContact O-CB 3.31Å; L137-L140 PolarHBondContact O-N 3.19Å; D138-L140 VanDerWaalsContact C-N 3.29Å; D138-L140 PolarHBondContact O-N 3.36Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 2.85Å; L140-Q143 WeakPolarHBondContact O-CB 3.24Å; L140-Q143 PolarHBondContact O-N 2.94Å
141L63.1Low61.4Low58 Ų5864.4 Ų64.430%0.30435%0.35SS..Hα-helixtrans-64.3-33.2-178.2-70.5173.2000113.1R43 L71 L137 D138 Y139 Q143R43-L141 HydrophobicContact CG-CD1 3.95Å; L71-L141 HydrophobicContact CD2-CD2 3.77Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.33Å; D138-L141 PolarHBondContact O-N 3.29Å; Y139-L141 PolarHBondContact O-N 3.26Å; L141-Q143 VanDerWaalsContact C-N 3.29Å; L141-Q143 PolarHBondContact O-N 2.88Å
142E68.6Low59.9Low118 Ų11866.9 Ų66.955%0.55137%0.365SS*.Hα-helixtrans-68.9-22.9172.3-77.1-160.9138.900113.9K122 Y123 D138 Y139 L140 P144K122-E142 IonicContact NZ-OE2 3.41Å; Y123-E142 WeakPolarHBondContact CE1-OE2 3.37Å; Y123-E142 VanDerWaalsContact CZ-OE2 3.27Å; Y123-E142 PolarHBondContact OH-OE2 3.46Å; D138-E142 PolarHBondContact O-N 3.11Å; Y139-E142 PolarHBondContact O-N 3.37Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 2.85Å; E142-P144 VanDerWaalsContact O-CD 3.23Å; E142-P144 WeakPolarHBondContact O-CD 3.35Å
143Q61.5Low58.5Low31 Ų3165.9 Ų65.915%0.14536%0.36CS..SBendtrans-66.3118.8178.6-63.8-45.4-70.200110.2K74 Y139 L140 L141 T152K74-Q143 PolarHBondContact NZ-O 2.9Å; K74-Q143 VanDerWaalsContact NZ-O 3.1Å; Y139-Q143 HydrophobicContact CD2-CG 4.23Å; Y139-Q143 VanDerWaalsContact CD2-NE2 3.3Å; Y139-Q143 HydrophobicContact CE1-CG 4.46Å; Y139-Q143 HydrophobicContact CE2-CG 3.77Å; Y139-Q143 WeakPolarHBondContact O-CG 3.1Å; Y139-Q143 PolarHBondContact O-N 3.06Å; Y139-Q143 PolarHBondContact O-NE2 2.84Å; L140-Q143 WeakPolarHBondContact O-CB 3.24Å; L140-Q143 PolarHBondContact O-N 2.94Å; L141-Q143 VanDerWaalsContact C-N 3.29Å; L141-Q143 PolarHBondContact O-N 2.88Å; Q143-T152 HydrophobicContact CG-CG2 4.47Å
144P52.2Low57.7Low77 Ų7768.4 Ų68.450%0.538%0.376SS..  trans-61.4142.5171.726.2-31.9000108.8E142 S146E142-P144 VanDerWaalsContact O-CD 3.23Å; E142-P144 WeakPolarHBondContact O-CD 3.35Å; P144-S146 PolarHBondContact O-N 3.36Å
145T49.7Very low56.7Low120 Ų12064.8 Ų64.874%0.73636%0.36SS*.SBendtrans-65.2-2.1177.749.30000113.5E147T145-E147 PolarHBondContact O-N 2.95Å
146S43.5Very low55.2Low69 Ų6967.5 Ų67.548%0.48338%0.379SS..  trans-68.8113172.557.40000109.6P144 G148P144-S146 PolarHBondContact O-N 3.36Å; S146-G148 PolarHBondContact O-N 3.14Å
147E47.4Very low53.8Low206 Ų20677.4 Ų77.496%0.96342%0.422SS*.THydrogen-bonded Turntrans-56.76.2172.5-61.2-173.6122.400114.4T145T145-E147 PolarHBondContact O-N 2.95Å
148G39.1Very low53Low64 Ų6480.7 Ų80.766%0.6644%0.44SS*.THydrogen-bonded Turntrans-101.310.2-175.200000116S146 P150S146-G148 PolarHBondContact O-N 3.14Å; G148-P150 WeakPolarHBondContact O-CD 3.44Å
149C36.5Very low52Low55 Ų5583.7 Ų83.737%0.37246%0.457SS..  trans-89.5107.3174-1480000110.7R151 T152C149-R151 PolarHBondContact O-N 3.26Å; C149-T152 PolarHBondContact O-N 3.24Å; C149-T152 PolarHBondContact O-OG1 2.9Å
150P39.8Very low50.9Low119 Ų11987.7 Ų87.777%0.77348%0.479SS*.THydrogen-bonded Turntrans-68.1-3.3-176.927-35.2000114.3G148G148-P150 WeakPolarHBondContact O-CD 3.44Å
151R45.4Very low50.2Low200 Ų20091.8 Ų91.876%0.75550%0.502SS*.THydrogen-bonded Turntrans-106.37.5179.6-68.4-168.5176.387.20.6114.2C149C149-R151 PolarHBondContact O-N 3.26Å
152T52.2Low49.4Very low52 Ų5293.9 Ų93.932%0.31951%0.514SS..SBendtrans-70.4133.9173.3-53.10000109.4Q143 C149 N154Q143-T152 HydrophobicContact CG-CG2 4.47Å; C149-T152 PolarHBondContact O-N 3.24Å; C149-T152 PolarHBondContact O-OG1 2.9Å; T152-N154 PolarHBondContact O-N 3.41Å
153L54Low48.2Very low12 Ų1292.3 Ų92.36%0.06351%0.512CS..  trans-63.484.7169.4-76.8169.5000109I98 L102 F111 F119 Y139 I155I98-L153 HydrophobicContact CG2-CD1 4.38Å; I98-L153 HydrophobicContact CG2-CD2 3.94Å; L102-L153 HydrophobicContact CD1-CD2 4.09Å; L102-L153 HydrophobicContact CD2-CD2 4.18Å; L102-L153 HydrophobicContact CG-CD2 4.5Å; F111-L153 HydrophobicContact CE2-CD2 4.19Å; F111-L153 HydrophobicContact CZ-CD2 4.23Å; F119-L153 HydrophobicContact CD1-CD1 4.06Å; F119-L153 HydrophobicContact CE1-CD1 3.47Å; F119-L153 VanDerWaalsContact CE1-CD1 3.47Å; F119-L153 HydrophobicContact CE2-CD1 4.01Å; F119-L153 HydrophobicContact CZ-CD1 3.45Å; F119-L153 VanDerWaalsContact CZ-CD1 3.45Å; Y139-L153 HydrophobicContact CE1-CD1 4.32Å; Y139-L153 PolarHBondContact OH-N 3.46Å; L153-I155 PolarHBondContact O-N 2.93Å; L153-I155 VanDerWaalsContact O-N 3.16Å
154N55.1Low47.2Very low104 Ų10496.6 Ų96.656%0.55654%0.538SS*.  trans-87.678.8179.1-168.3-13.1000109.7T152 S156T152-N154 PolarHBondContact O-N 3.41Å; N154-S156 VanDerWaalsContact C-N 3.3Å; N154-S156 PolarHBondContact OD1-N 3.11Å
155I53.4Low46.8Very low5 Ų598.2 Ų98.23%0.02654%0.541CS..  trans-95.117.4175.569.1172.8000112.4I81 K84 L85 V101 L102 L153 K157I81-I155 HydrophobicContact CB-CD1 3.88Å; I81-I155 HydrophobicContact CB-CG1 4.26Å; I81-I155 HydrophobicContact CD1-CG1 4.29Å; I81-I155 HydrophobicContact CG1-CD1 3.77Å; I81-I155 HydrophobicContact CG1-CG1 3.57Å; I81-I155 HydrophobicContact CG2-CD1 3.54Å; I81-I155 HydrophobicContact CG2-CG1 4.2Å; K84-I155 PolarHBondContact NZ-O 2.68Å; L85-I155 HydrophobicContact CD1-CD1 4.05Å; L85-I155 HydrophobicContact CD2-CD1 3.95Å; L85-I155 HydrophobicContact CG-CD1 3.74Å; V101-I155 HydrophobicContact CG1-CB 4.23Å; V101-I155 HydrophobicContact CG1-CD1 4.02Å; V101-I155 HydrophobicContact CG1-CG2 4.21Å; L102-I155 HydrophobicContact CD2-CG2 3.95Å; L153-I155 PolarHBondContact O-N 2.93Å; L153-I155 VanDerWaalsContact O-N 3.16Å; I155-K157 PolarHBondContact O-N 2.8Å
156S50.1Low46.6Very low58 Ų5896.3 Ų96.341%0.40653%0.525SS..  trans-75.95.8-178.1-620000114.2N77 N154N77-S156 PolarHBondContact ND2-OG 2.92Å; N77-S156 PolarHBondContact OD1-OG 3.27Å; N154-S156 VanDerWaalsContact C-N 3.3Å; N154-S156 PolarHBondContact OD1-N 3.11Å
157K42.6Very low46.9Very low212 Ų21298.8 Ų98.892%0.92253%0.528SS*.  trans-77.60171-74.5-169.2178-176.20112.6K84 I155K84-K157 PolarHBondContact NZ-O 3.49Å; I155-K157 PolarHBondContact O-N 2.8Å

Retrieved 157 of 157 residues in 211.2 ms (Link to these results)

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