A0A087X9E4_POEFO Loading...

DNA ligase

AlphaFold DB , UniProt , Accession A0A087X9E4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 924 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
1M38.2Very low73.1Confident240 Ų24066.8 Ų66.8100%1.18232%0.324SS*.  0148.50-68.1-164.5-71.300107.5
2S42.5Very low74Confident83 Ų8371.3 Ų71.358%0.5834%0.341SS*.  trans-70.913416938.50000110.2
3E54.2Low73.9Confident138 Ų13880.8 Ų80.865%0.64537%0.371SS*.  trans-67.6139.9176.8-61.1176.4122.200110.1R5E3-R5 VanDerWaalsContact C-N 3.35Å; E3-R5 HydrophobicContact CB-CG 4.47Å; E3-R5 PolarHBondContact O-N 3.49Å; E3-R5 IonicContact OE2-NE 3.32Å; E3-R5 IonicContact OE2-NH2 3.08Å
4Q62.8Low74.1Confident75 Ų7577.4 Ų77.435%0.3537%0.368SS..  trans-8583.4178.5-64.4-176.423.800109.1F6 K68Q4-F6 WeakPolarHBondContact O-CD2 3.36Å; Q4-F6 WeakPolarHBondContact O-CE2 3.44Å; Q4-K68 HydrophobicContact CB-CB 4.42Å
5R79Confident74.4Confident106 Ų10680.3 Ų80.340%0.439%0.393SS..  trans-74.1145.4175.8-56.9-170.2-164124.23.4111.5E3 I35 E77E3-R5 VanDerWaalsContact C-N 3.35Å; E3-R5 HydrophobicContact CB-CG 4.47Å; E3-R5 PolarHBondContact O-N 3.49Å; E3-R5 IonicContact OE2-NE 3.32Å; E3-R5 IonicContact OE2-NH2 3.08Å; R5-I35 HydrophobicContact CB-CB 4.4Å; R5-I35 HydrophobicContact CB-CD1 4.02Å; R5-I35 HydrophobicContact CB-CG1 4.3Å; R5-I35 PolarHBondContact O-N 3.24Å; R5-E77 WeakPolarHBondContact CD-OE1 3.44Å
6F86.9Confident74.9Confident1 Ų176.3 Ų76.30%0.00438%0.377CS..EExtended strand (participates in β ladder)trans-121.8149.6173.9-59.9-90.1000108.6Q4 G33 K34 I56 L60 I70 E75 L76 E77Q4-F6 WeakPolarHBondContact O-CD2 3.36Å; Q4-F6 WeakPolarHBondContact O-CE2 3.44Å; F6-G33 WeakPolarHBondContact CA-O 3.42Å; F6-K34 HydrophobicContact CD1-CB 4.14Å; F6-K34 HydrophobicContact CD1-CG 4.19Å; F6-K34 HydrophobicContact CE1-CB 4.24Å; F6-K34 HydrophobicContact CE1-CD 3.86Å; F6-K34 HydrophobicContact CE1-CG 4Å; F6-K34 HydrophobicContact CZ-CD 4.43Å; F6-I56 HydrophobicContact CD1-CD1 3.92Å; F6-I56 HydrophobicContact CE1-CD1 3.92Å; F6-L60 HydrophobicContact CE1-CD2 4.48Å; F6-L60 HydrophobicContact CZ-CD2 4.21Å; F6-I70 HydrophobicContact CB-CD1 4.42Å; F6-I70 HydrophobicContact CB-CG1 4.34Å; F6-I70 HydrophobicContact CD1-CD1 4.02Å; F6-I70 HydrophobicContact CD1-CG1 4.09Å; F6-I70 HydrophobicContact CD2-CD1 4.47Å; F6-I70 HydrophobicContact CD2-CG1 3.69Å; F6-I70 HydrophobicContact CE1-CD1 4.33Å; F6-I70 HydrophobicContact CE1-CG1 4.23Å; F6-I70 HydrophobicContact CE2-CG1 3.86Å; F6-I70 HydrophobicContact CG-CD1 4.09Å; F6-I70 HydrophobicContact CG-CG1 3.81Å; F6-I70 HydrophobicContact CZ-CG1 4.12Å; F6-E75 VanDerWaalsContact O-O 3.09Å; F6-L76 HydrophobicContact CB-CD2 3.82Å; F6-E77 PolarHBondContact O-N 3.34Å
7L87.8Confident75.6Confident8 Ų873.8 Ų73.84%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-135159175.470.3131.3000110.7I32 G33 I35 K48 W50 E77L7-I32 CarbonylContact O-C 3.56Å; L7-I32 VanDerWaalsContact O-CA 3.3Å; L7-I32 WeakPolarHBondContact O-CA 3.47Å; L7-I32 WeakPolarHBondContact O-CG2 3.31Å; L7-G33 PolarHBondContact N-O 2.73Å; L7-G33 PolarHBondContact O-N 2.71Å; L7-I35 HydrophobicContact CD2-CD1 3.95Å; L7-I35 HydrophobicContact CD2-CG1 3.59Å; L7-K48 HydrophobicContact CD1-CD 3.98Å; L7-K48 HydrophobicContact CD2-CD 3.69Å; L7-K48 HydrophobicContact CD2-CG 4.04Å; L7-K48 HydrophobicContact CG-CD 4.5Å; L7-W50 HydrophobicContact CD1-CH2 3.54Å; L7-W50 HydrophobicContact CD1-CZ3 3.9Å; L7-W50 HydrophobicContact CG-CH2 4.42Å; L7-W50 HydrophobicContact CG-CZ3 4.38Å; L7-E77 CarbonylContact C-O 3.56Å; L7-E77 WeakPolarHBondContact CA-O 3.36Å; L7-E77 HydrophobicContact CB-CB 3.76Å; L7-E77 WeakPolarHBondContact CB-O 3.36Å
8V88.3Confident76.4Confident2 Ų269.8 Ų69.81%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-134138.1177.168.10000110.2V30 R31 I32 L76 E77 W79 L82 I90V8-V30 HydrophobicContact CG2-CG1 3.54Å; V8-R31 WeakPolarHBondContact CA-O 3.31Å; V8-I32 HydrophobicContact CB-CG1 4.34Å; V8-I32 HydrophobicContact CG2-CG1 3.94Å; V8-L76 HydrophobicContact CG1-CB 4.14Å; V8-E77 PolarHBondContact N-O 2.88Å; V8-W79 HydrophobicContact CG1-CE3 4.47Å; V8-L82 HydrophobicContact CG1-CD1 3.88Å; V8-L82 HydrophobicContact CG1-CG 4.34Å; V8-L82 HydrophobicContact CG2-CD1 3.9Å; V8-L82 HydrophobicContact CG2-CD2 4.24Å; V8-I90 HydrophobicContact CG2-CD1 4.04Å
9E89.3Confident77.1Confident24 Ų2470.2 Ų70.211%0.11235%0.354CS..EExtended strand (participates in β ladder)trans-156.3161.6171.956.7161.6-152.400110.9K12 R31 W50E9-K12 WeakPolarHBondContact OE2-CD 3.35Å; E9-K12 VanDerWaalsContact OE2-CE 3.32Å; E9-K12 WeakPolarHBondContact OE2-CE 3.26Å; E9-K12 IonicContact OE2-NZ 3.26Å; E9-K12 PolarHBondContact OE2-NZ 3.28Å; E9-R31 HydrophobicContact CG-CG 4.27Å; E9-R31 PolarHBondContact N-O 3.13Å; E9-R31 VanDerWaalsContact N-O 3.11Å; E9-R31 VanDerWaalsContact O-CG 3.3Å; E9-R31 WeakPolarHBondContact O-CG 3.47Å; E9-R31 PolarHBondContact O-N 2.94Å; E9-R31 IonicContact OE1-CZ 3.74Å; E9-R31 VanDerWaalsContact OE1-CZ 3.25Å; E9-R31 IonicContact OE1-NE 3.5Å; E9-R31 PolarHBondContact OE1-NE 2.96Å; E9-R31 IonicContact OE1-NH2 3.7Å; E9-R31 PolarHBondContact OE1-NH2 3.38Å; E9-W50 VanDerWaalsContact CD-CH2 3.5Å; E9-W50 HydrophobicContact CG-CH2 3.57Å; E9-W50 HydrophobicContact CG-CZ3 3.77Å; E9-W50 WeakPolarHBondContact OE1-CH2 3.46Å
10Y88.6Confident77.6Confident57 Ų5770.4 Ų70.422%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-66.6139.4161-66.7-76000110.8K12 G28 V30 L82 Q83 D86Y10-K12 PolarHBondContact O-N 2.9Å; Y10-G28 WeakPolarHBondContact CD1-O 3.24Å; Y10-V30 HydrophobicContact CD1-CG2 3.63Å; Y10-V30 HydrophobicContact CE1-CG2 3.23Å; Y10-V30 HydrophobicContact CG-CG2 4.49Å; Y10-L82 HydrophobicContact CD2-CD2 4.33Å; Y10-L82 HydrophobicContact CE2-CD2 3.78Å; Y10-Q83 WeakPolarHBondContact OH-CB 3.28Å; Y10-Q83 WeakPolarHBondContact OH-CG 3.25Å; Y10-Q83 PolarHBondContact OH-N 3.47Å; Y10-D86 VanDerWaalsContact CE1-OD2 3.24Å; Y10-D86 WeakPolarHBondContact CE1-OD2 3.24Å; Y10-D86 PolarHBondContact OH-OD2 3.5Å
11A86.9Confident78.1Confident1 Ų169.3 Ų69.31%0.00835%0.351CS..  trans-67.194.7-178.900000112.1R13 I25 Q26 K27 G28 I29 R31A11-R13 PolarHBondContact O-N 3.12Å; A11-I25 HydrophobicContact CB-CG2 3.87Å; A11-Q26 WeakPolarHBondContact CB-O 3.49Å; A11-K27 VanDerWaalsContact O-CA 3.27Å; A11-K27 WeakPolarHBondContact O-CA 3.45Å; A11-K27 WeakPolarHBondContact O-CG 3.39Å; A11-G28 PolarHBondContact O-N 3.01Å; A11-I29 VanDerWaalsContact CB-O 3.3Å; A11-I29 WeakPolarHBondContact CB-O 3.05Å; A11-I29 PolarHBondContact N-O 3.27Å; A11-R31 HydrophobicContact CB-CG 4.33Å
12K83.3Confident80.4Confident121 Ų12165.2 Ų65.253%0.52633%0.327SS..SBendtrans-59.6-29.4-176.2-72.3155.6-173.9160.90113.9E9 Y10E9-K12 WeakPolarHBondContact OE2-CD 3.35Å; E9-K12 VanDerWaalsContact OE2-CE 3.32Å; E9-K12 WeakPolarHBondContact OE2-CE 3.26Å; E9-K12 IonicContact OE2-NZ 3.26Å; E9-K12 PolarHBondContact OE2-NZ 3.28Å; Y10-K12 PolarHBondContact O-N 2.9Å
13R72.4Confident82.6Confident195 Ų19565.9 Ų65.974%0.73632%0.324SS*.SBendtrans-142.1131.6173.7-58.9-178.3-173.6178.32.1109.2A11 T15A11-R13 PolarHBondContact O-N 3.12Å; R13-T15 PolarHBondContact O-N 3.33Å
14G77.6Confident84.2Confident32 Ų3267 Ų6733%0.3333%0.327SS..THydrogen-bonded Turntrans-75.332-173.600000115.8I25G14-I25 CarbonylContact C-O 3.58Å; G14-I25 VanDerWaalsContact CA-O 3.28Å; G14-I25 WeakPolarHBondContact CA-O 3.44Å
15T78.4Confident85.4Confident121 Ų12163.4 Ų63.474%0.74231%0.31SS*.THydrogen-bonded Turntrans-103.6-12.6-172.952.30000113.5R13R13-T15 PolarHBondContact O-N 3.33Å
16A82.6Confident85.8Confident17 Ų1764.8 Ų64.814%0.1432%0.321CS..PPolyproline II helixtrans-79.3124.8179.100000111I25 W50A16-I25 WeakPolarHBondContact O-CG1 3.42Å; A16-I25 PolarHBondContact O-N 2.66Å; A16-W50 HydrophobicContact CB-CB 4.26Å; A16-W50 HydrophobicContact CB-CG 4.12Å
17G87.4Confident85.8Confident34 Ų3472.6 Ų72.635%0.35136%0.355SS..BIsolated β-bridgetrans-83.8135.3169.200000111.6K19 D23G17-K19 PolarHBondContact O-N 3.33Å; G17-D23 CarbonylContact C-O 3.59Å; G17-D23 WeakPolarHBondContact CA-O 3.27Å
18C89.4Confident85.5Confident1 Ų174.5 Ų74.51%0.00738%0.376CS..PPolyproline II helixtrans-62.9118.8173.1174.60000109.9K20 C21 K22 D23 I25 W50C18-K20 PolarHBondContact O-N 3.45Å; C18-C21 VanDerWaalsContact CB-SG 3.55Å; C18-C21 PolarHBondContact SG-SG 3.16Å; C18-K22 WeakPolarHBondContact O-CA 3.44Å; C18-K22 PolarHBondContact O-N 3.45Å; C18-D23 PolarHBondContact N-O 3.25Å; C18-I25 HydrophobicContact CB-CD1 4.46Å; C18-I25 HydrophobicContact CB-CG1 4.19Å; C18-W50 WeakPolarHBondContact CA-O 3.48Å
19K89.6Confident85.6Confident77 Ų7777.9 Ų77.934%0.33539%0.393SS..THydrogen-bonded Turntrans-61.4-20.4-174.1-71.6-74.9-169.2125.50114G17 K22 E49 W50 Y51G17-K19 PolarHBondContact O-N 3.33Å; K19-K22 PolarHBondContact O-NZ 2.89Å; K19-E49 VanDerWaalsContact CD-OE1 3.29Å; K19-E49 WeakPolarHBondContact CD-OE1 3.31Å; K19-E49 WeakPolarHBondContact CE-OE1 3.39Å; K19-E49 HydrophobicContact CG-CB 4.05Å; K19-E49 HydrophobicContact CG-CG 4.26Å; K19-E49 IonicContact NZ-OE1 3.72Å; K19-E49 PolarHBondContact NZ-OE1 3.44Å; K19-W50 PolarHBondContact N-O 3.2Å; K19-Y51 HydrophobicContact CB-CD1 4.27Å; K19-Y51 HydrophobicContact CB-CE1 3.63Å; K19-Y51 HydrophobicContact CB-CE2 4.19Å
20K87.3Confident85.5Confident75 Ų7577 Ų7733%0.32639%0.389SS..THydrogen-bonded Turntrans-82.9-71.7173.8-178.4-175.7165.3-147.70112.7C18 Y51 C55 E58C18-K20 PolarHBondContact O-N 3.45Å; K20-Y51 HydrophobicContact CB-CD1 4.07Å; K20-Y51 HydrophobicContact CB-CE1 4.18Å; K20-C55 HydrophobicContact CB-CB 4.2Å; K20-C55 HydrophobicContact CD-CB 3.87Å; K20-C55 WeakPolarHBondContact CD-O 3.2Å; K20-E58 IonicContact NZ-OE1 2.65Å; K20-E58 IonicContact NZ-OE2 3.25Å; K20-E58 PolarHBondContact NZ-OE2 2.85Å
21C88.3Confident85.6Confident48 Ų4875.1 Ų75.132%0.32438%0.382SS..THydrogen-bonded Turntrans-81.9-12.1-172.758.80000114.7C18 D23C18-C21 VanDerWaalsContact CB-SG 3.55Å; C18-C21 PolarHBondContact SG-SG 3.16Å; C21-D23 VanDerWaalsContact CB-OD2 3.26Å; C21-D23 WeakPolarHBondContact CB-OD2 3.42Å; C21-D23 PolarHBondContact O-N 3.4Å; C21-D23 PolarHBondContact SG-OD2 3.27Å
22K86.9Confident85.8Confident154 Ų15475 Ų7567%0.6738%0.381SS*.  trans73.3-11.9-178.5-46.4-53.4-176.6-174.30116.1C18 K19C18-K22 WeakPolarHBondContact O-CA 3.44Å; C18-K22 PolarHBondContact O-N 3.45Å; K19-K22 PolarHBondContact O-NZ 2.89Å
23D87.1Confident86.1Confident97 Ų9769.3 Ų69.352%0.51936%0.356SS..  trans-59.3153.3173.2-48.7-60000112.7G17 C18 C21G17-D23 CarbonylContact C-O 3.59Å; G17-D23 WeakPolarHBondContact CA-O 3.27Å; C18-D23 PolarHBondContact N-O 3.25Å; C21-D23 VanDerWaalsContact CB-OD2 3.26Å; C21-D23 WeakPolarHBondContact CB-OD2 3.42Å; C21-D23 PolarHBondContact O-N 3.4Å; C21-D23 PolarHBondContact SG-OD2 3.27Å
24K88.2Confident86.9Confident161 Ų16161.4 Ų61.470%0.733%0.327SS*.BIsolated β-bridgetrans-75.5128.5175.3-67.3179.7-178.3174.10110.8Q26K24-Q26 PolarHBondContact O-N 2.88Å
25I89.1Confident87.2Confident0 Ų060.5 Ų60.50%032%0.315CS..  trans-74113.9168.6-48.6-178.6000107.4A11 G14 A16 C18 I29 R31 W50A11-I25 HydrophobicContact CB-CG2 3.87Å; G14-I25 CarbonylContact C-O 3.58Å; G14-I25 VanDerWaalsContact CA-O 3.28Å; G14-I25 WeakPolarHBondContact CA-O 3.44Å; A16-I25 WeakPolarHBondContact O-CG1 3.42Å; A16-I25 PolarHBondContact O-N 2.66Å; C18-I25 HydrophobicContact CB-CD1 4.46Å; C18-I25 HydrophobicContact CB-CG1 4.19Å; I25-I29 HydrophobicContact CG2-CB 4.31Å; I25-I29 HydrophobicContact CG2-CG2 4.47Å; I25-R31 HydrophobicContact CD1-CB 3.84Å; I25-R31 HydrophobicContact CG2-CB 4.17Å; I25-W50 HydrophobicContact CD1-CB 3.82Å
26Q85.8Confident87.4Confident134 Ų13456.3 Ų56.363%0.62629%0.289SS*.  trans-69.8158.9-178.5-56.8-174-2.300111.9A11 K24 G28 I29A11-Q26 WeakPolarHBondContact CB-O 3.49Å; K24-Q26 PolarHBondContact O-N 2.88Å; Q26-G28 PolarHBondContact O-N 3.12Å; Q26-I29 HydrophobicContact CB-CD1 3.77Å; Q26-I29 HydrophobicContact CB-CG1 4.26Å; Q26-I29 HydrophobicContact CG-CD1 4.25Å; Q26-I29 PolarHBondContact O-N 3.32Å
27K88.3Confident87Confident166 Ų16659.8 Ų59.872%0.72231%0.31SS*.THydrogen-bonded Turntrans-61.6134.4178.3-172.1-163.3174.1-163.90109.9A11A11-K27 VanDerWaalsContact O-CA 3.27Å; A11-K27 WeakPolarHBondContact O-CA 3.45Å; A11-K27 WeakPolarHBondContact O-CG 3.39Å
28G82.1Confident86.4Confident47 Ų4760.1 Ų60.149%0.48530%0.304SS..THydrogen-bonded Turntrans85-1.3177.500000115.5Y10 A11 Q26Y10-G28 WeakPolarHBondContact CD1-O 3.24Å; A11-G28 PolarHBondContact O-N 3.01Å; Q26-G28 PolarHBondContact O-N 3.12Å
29I88.4Confident85.1Confident73 Ų7364.5 Ų64.537%0.37433%0.333SS..SBendtrans-85.9139.2170.9-60.1-176.6000109.7A11 I25 Q26A11-I29 VanDerWaalsContact CB-O 3.3Å; A11-I29 WeakPolarHBondContact CB-O 3.05Å; A11-I29 PolarHBondContact N-O 3.27Å; I25-I29 HydrophobicContact CG2-CB 4.31Å; I25-I29 HydrophobicContact CG2-CG2 4.47Å; Q26-I29 HydrophobicContact CB-CD1 3.77Å; Q26-I29 HydrophobicContact CB-CG1 4.26Å; Q26-I29 HydrophobicContact CG-CD1 4.25Å; Q26-I29 PolarHBondContact O-N 3.32Å
30V88.9Confident83.5Confident5 Ų569.4 Ų69.43%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-63.2132.5173179.30000111.4V8 Y10 V53 L82 D86 I90V8-V30 HydrophobicContact CG2-CG1 3.54Å; Y10-V30 HydrophobicContact CD1-CG2 3.63Å; Y10-V30 HydrophobicContact CE1-CG2 3.23Å; Y10-V30 HydrophobicContact CG-CG2 4.49Å; V30-V53 HydrophobicContact CB-CG2 4.2Å; V30-V53 HydrophobicContact CG1-CG2 3.8Å; V30-L82 HydrophobicContact CG1-CD2 4.1Å; V30-L82 HydrophobicContact CG2-CD2 3.9Å; V30-D86 HydrophobicContact CG2-CB 3.9Å; V30-D86 VanDerWaalsContact CG2-OD1 3.32Å; V30-D86 WeakPolarHBondContact CG2-OD1 3.49Å; V30-D86 WeakPolarHBondContact CG2-OD2 3.36Å; V30-I90 HydrophobicContact CG1-CD1 4.2Å
31R90.8Very high82.1Confident18 Ų1868 Ų687%0.06835%0.353CS..EExtended strand (participates in β ladder)trans-131.4140176.456.6178-172.1-158.87.1111.4V8 E9 A11 I25 W50 Y51V8-R31 WeakPolarHBondContact CA-O 3.31Å; E9-R31 HydrophobicContact CG-CG 4.27Å; E9-R31 PolarHBondContact N-O 3.13Å; E9-R31 VanDerWaalsContact N-O 3.11Å; E9-R31 VanDerWaalsContact O-CG 3.3Å; E9-R31 WeakPolarHBondContact O-CG 3.47Å; E9-R31 PolarHBondContact O-N 2.94Å; E9-R31 IonicContact OE1-CZ 3.74Å; E9-R31 VanDerWaalsContact OE1-CZ 3.25Å; E9-R31 IonicContact OE1-NE 3.5Å; E9-R31 PolarHBondContact OE1-NE 2.96Å; E9-R31 IonicContact OE1-NH2 3.7Å; E9-R31 PolarHBondContact OE1-NH2 3.38Å; A11-R31 HydrophobicContact CB-CG 4.33Å; I25-R31 HydrophobicContact CD1-CB 3.84Å; I25-R31 HydrophobicContact CG2-CB 4.17Å; R31-W50 HydrophobicContact CB-CE3 4.1Å; R31-W50 VanDerWaalsContact CD-CE3 3.41Å; R31-W50 HydrophobicContact CG-CD2 4.37Å; R31-W50 HydrophobicContact CG-CE3 3.6Å; R31-W50 HydrophobicContact CG-CZ3 3.76Å; R31-Y51 WeakPolarHBondContact CA-O 3.4Å
32I90.8Very high80.5Confident0 Ų075.2 Ų75.20%038%0.382CS..EExtended strand (participates in β ladder)trans-99.9124.8172.7-60.5174.4000107.7L7 V8 Y51 V53 I56 F57 I70 L76L7-I32 CarbonylContact O-C 3.56Å; L7-I32 VanDerWaalsContact O-CA 3.3Å; L7-I32 WeakPolarHBondContact O-CA 3.47Å; L7-I32 WeakPolarHBondContact O-CG2 3.31Å; V8-I32 HydrophobicContact CB-CG1 4.34Å; V8-I32 HydrophobicContact CG2-CG1 3.94Å; I32-Y51 PolarHBondContact N-O 3.04Å; I32-Y51 PolarHBondContact O-N 3.42Å; I32-V53 HydrophobicContact CD1-CB 4.5Å; I32-V53 HydrophobicContact CD1-CG1 4.2Å; I32-V53 HydrophobicContact CD1-CG2 4.33Å; I32-V53 HydrophobicContact CG1-CG2 4.39Å; I32-I56 HydrophobicContact CB-CD1 4.38Å; I32-I56 HydrophobicContact CB-CG2 3.93Å; I32-I56 HydrophobicContact CD1-CG2 3.72Å; I32-I56 HydrophobicContact CG1-CG2 4.36Å; I32-I56 HydrophobicContact CG2-CD1 3.73Å; I32-I56 HydrophobicContact CG2-CG2 4.08Å; I32-F57 HydrophobicContact CD1-CE2 3.86Å; I32-I70 HydrophobicContact CG2-CD1 4.36Å; I32-L76 HydrophobicContact CG2-CD2 4.15Å
33G89.6Confident78.9Confident0 Ų073.2 Ų73.20%039%0.388CS..EExtended strand (participates in β ladder)trans-97.2129.8174.100000110.3F6 L7 E49F6-G33 WeakPolarHBondContact CA-O 3.42Å; L7-G33 PolarHBondContact N-O 2.73Å; L7-G33 PolarHBondContact O-N 2.71Å; G33-E49 CarbonylContact C-O 3.59Å; G33-E49 WeakPolarHBondContact CA-O 3.35Å
34K88.8Confident77.5Confident29 Ų2971.1 Ų71.113%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-94.4128.9164.1-177.3168.1-171.6132.60109.4F6 V36 E49 Y51F6-K34 HydrophobicContact CD1-CB 4.14Å; F6-K34 HydrophobicContact CD1-CG 4.19Å; F6-K34 HydrophobicContact CE1-CB 4.24Å; F6-K34 HydrophobicContact CE1-CD 3.86Å; F6-K34 HydrophobicContact CE1-CG 4Å; F6-K34 HydrophobicContact CZ-CD 4.43Å; K34-V36 HydrophobicContact CG-CG1 4.23Å; K34-E49 HydrophobicContact CB-CB 4.43Å; K34-E49 PolarHBondContact N-O 2.93Å; K34-E49 PolarHBondContact O-N 3.49Å; K34-Y51 HydrophobicContact CB-CE2 4.27Å
35I84.2Confident76.6Confident14 Ų1465.7 Ų65.77%0.07237%0.374CS..EExtended strand (participates in β ladder)trans-79.8132173.6-53.7-167.4000109R5 L7 E46R5-I35 HydrophobicContact CB-CB 4.4Å; R5-I35 HydrophobicContact CB-CD1 4.02Å; R5-I35 HydrophobicContact CB-CG1 4.3Å; R5-I35 PolarHBondContact O-N 3.24Å; L7-I35 HydrophobicContact CD2-CD1 3.95Å; L7-I35 HydrophobicContact CD2-CG1 3.59Å; I35-E46 HydrophobicContact CG2-CB 3.75Å; I35-E46 HydrophobicContact CG2-CG 4.07Å; I35-E46 WeakPolarHBondContact CG2-OE2 3.44Å
36V81.7Confident76.1Confident33 Ų3371.1 Ų71.120%0.240%0.399CS..EExtended strand (participates in β ladder)trans-138.9151.5175.8-59.60000110.5K34 M47 E49K34-V36 HydrophobicContact CG-CG1 4.23Å; V36-M47 HydrophobicContact CG2-CB 4.25Å; V36-M47 HydrophobicContact CG2-CE 3.67Å; V36-M47 WeakPolarHBondContact CG2-O 3.42Å; V36-M47 PolarHBondContact N-O 3.47Å; V36-M47 PolarHBondContact O-N 2.82Å; V36-E49 HydrophobicContact CG1-CG 4.43Å; V36-E49 HydrophobicContact CG2-CG 3.93Å
37P75.5Confident75.9Confident90 Ų9066.9 Ų66.958%0.58438%0.38SS*.EExtended strand (participates in β ladder)trans-56.8141.3169.9-23.834.5000111.5P39P37-P39 WeakPolarHBondContact O-CD 3.14Å
38N72.9Confident75.9Confident41 Ų4163.7 Ų63.722%0.21937%0.366CS..  trans-69.4118.7178.4-173.6-12.2000110.9F40 A44 G45 M47N38-F40 PolarHBondContact O-N 2.89Å; N38-F40 PolarHBondContact OD1-N 3.49Å; N38-A44 VanDerWaalsContact ND2-CB 3.29Å; N38-A44 WeakPolarHBondContact ND2-CB 3.27Å; N38-A44 PolarHBondContact ND2-O 3.45Å; N38-G45 WeakPolarHBondContact CB-O 3.35Å; N38-G45 PolarHBondContact N-O 3.16Å; N38-G45 VanDerWaalsContact N-O 3.1Å; N38-M47 HydrophobicContact CB-CB 4.45Å
39P62.7Low76.3Confident93 Ų9363.2 Ų63.260%0.60435%0.351SS*.SBendtrans-81.83.4-177.434.9-36.8000113.7P37 M47P37-P39 WeakPolarHBondContact O-CD 3.14Å; P39-M47 VanDerWaalsContact CD-CE 3.45Å; P39-M47 HydrophobicContact CG-CE 4.04Å
40F57.3Low76.5Confident180 Ų18061.7 Ų61.779%0.78934%0.341SS*.SBendtrans-107.3-19.4-174.9-59-70.5000114.5N38N38-F40 PolarHBondContact O-N 2.89Å; N38-F40 PolarHBondContact OD1-N 3.49Å
41S57.2Low76.6Confident44 Ų4461.6 Ų61.631%0.30834%0.34SS..  trans-159.2148.6154.885.70000110.8S43 A44S41-S43 PolarHBondContact O-N 3.27Å; S41-S43 PolarHBondContact OG-N 3.46Å; S41-S43 PolarHBondContact OG-OG 3.41Å; S41-A44 PolarHBondContact O-N 2.86Å; S41-A44 WeakPolarHBondContact OG-CB 3.49Å; S41-A44 PolarHBondContact OG-N 3.44Å; S41-A44 VanDerWaalsContact OG-N 3.13Å
42E54.6Low76.6Confident200 Ų20062.7 Ų62.794%0.93535%0.346SS*.THydrogen-bonded Turntrans-70.2-16.5175.6-60.9-16913800112.6
43S54Low76.5Confident113 Ų11363.3 Ų63.379%0.7935%0.349SS*.THydrogen-bonded Turntrans-87.3-10.9177.153.60000114.9S41S41-S43 PolarHBondContact O-N 3.27Å; S41-S43 PolarHBondContact OG-N 3.46Å; S41-S43 PolarHBondContact OG-OG 3.41Å
44A56.4Low76.4Confident52 Ų5269.5 Ų69.543%0.4338%0.376SS..SBendtrans-103.525.8-171.100000114.6N38 S41N38-A44 VanDerWaalsContact ND2-CB 3.29Å; N38-A44 WeakPolarHBondContact ND2-CB 3.27Å; N38-A44 PolarHBondContact ND2-O 3.45Å; S41-A44 PolarHBondContact O-N 2.86Å; S41-A44 WeakPolarHBondContact OG-CB 3.49Å; S41-A44 PolarHBondContact OG-N 3.44Å; S41-A44 VanDerWaalsContact OG-N 3.13Å
45G69.8Low76.4Confident47 Ų4768.9 Ų68.949%0.48538%0.376SS..  trans64.7-144164.800000116.3N38N38-G45 WeakPolarHBondContact CB-O 3.35Å; N38-G45 PolarHBondContact N-O 3.16Å; N38-G45 VanDerWaalsContact N-O 3.1Å
46E79.4Confident76.6Confident115 Ų11568.4 Ų68.454%0.53737%0.373SS..EExtended strand (participates in β ladder)trans-98.6142.5-174.8-61.7-172.7143.100112.6I35I35-E46 HydrophobicContact CG2-CB 3.75Å; I35-E46 HydrophobicContact CG2-CG 4.07Å; I35-E46 WeakPolarHBondContact CG2-OE2 3.44Å
47M81.3Confident76.8Confident45 Ų4567.3 Ų67.322%0.22237%0.366CS..EExtended strand (participates in β ladder)trans-114.3136.4178.8178.3178.958.300110.9V36 N38 P39V36-M47 HydrophobicContact CG2-CB 4.25Å; V36-M47 HydrophobicContact CG2-CE 3.67Å; V36-M47 WeakPolarHBondContact CG2-O 3.42Å; V36-M47 PolarHBondContact N-O 3.47Å; V36-M47 PolarHBondContact O-N 2.82Å; N38-M47 HydrophobicContact CB-CB 4.45Å; P39-M47 VanDerWaalsContact CD-CE 3.45Å; P39-M47 HydrophobicContact CG-CE 4.04Å
48K87.3Confident77.2Confident99 Ų9965.8 Ų65.843%0.4335%0.351SS..EExtended strand (participates in β ladder)trans-93.1113.5177.7-61.5-172.2171.6-1590111.3L7 W50L7-K48 HydrophobicContact CD1-CD 3.98Å; L7-K48 HydrophobicContact CD2-CD 3.69Å; L7-K48 HydrophobicContact CD2-CG 4.04Å; L7-K48 HydrophobicContact CG-CD 4.5Å; K48-W50 HydrophobicContact CB-CZ2 4.21Å; K48-W50 HydrophobicContact CD-CZ2 4.23Å
49E90.7Very high77.7Confident37 Ų3768.4 Ų68.417%0.17336%0.36CS..EExtended strand (participates in β ladder)trans-87.9110.6171.8-76.1-137.5125.900111.4K19 G33 K34 V36 Y51K19-E49 VanDerWaalsContact CD-OE1 3.29Å; K19-E49 WeakPolarHBondContact CD-OE1 3.31Å; K19-E49 WeakPolarHBondContact CE-OE1 3.39Å; K19-E49 HydrophobicContact CG-CB 4.05Å; K19-E49 HydrophobicContact CG-CG 4.26Å; K19-E49 IonicContact NZ-OE1 3.72Å; K19-E49 PolarHBondContact NZ-OE1 3.44Å; G33-E49 CarbonylContact C-O 3.59Å; G33-E49 WeakPolarHBondContact CA-O 3.35Å; K34-E49 HydrophobicContact CB-CB 4.43Å; K34-E49 PolarHBondContact N-O 2.93Å; K34-E49 PolarHBondContact O-N 3.49Å; V36-E49 HydrophobicContact CG1-CG 4.43Å; V36-E49 HydrophobicContact CG2-CG 3.93Å; E49-Y51 HydrophobicContact CB-CE2 3.72Å; E49-Y51 WeakPolarHBondContact O-CD2 3.29Å; E49-Y51 VanDerWaalsContact O-CE2 3.26Å; E49-Y51 WeakPolarHBondContact O-CE2 3.45Å; E49-Y51 PolarHBondContact OE2-OH 3.4Å
50W91.8Very high78.7Confident40 Ų4064.3 Ų64.315%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-86.1142.5-177.5-61.3109.7000114.6L7 E9 A16 C18 K19 I25 R31 K48L7-W50 HydrophobicContact CD1-CH2 3.54Å; L7-W50 HydrophobicContact CD1-CZ3 3.9Å; L7-W50 HydrophobicContact CG-CH2 4.42Å; L7-W50 HydrophobicContact CG-CZ3 4.38Å; E9-W50 VanDerWaalsContact CD-CH2 3.5Å; E9-W50 HydrophobicContact CG-CH2 3.57Å; E9-W50 HydrophobicContact CG-CZ3 3.77Å; E9-W50 WeakPolarHBondContact OE1-CH2 3.46Å; A16-W50 HydrophobicContact CB-CB 4.26Å; A16-W50 HydrophobicContact CB-CG 4.12Å; C18-W50 WeakPolarHBondContact CA-O 3.48Å; K19-W50 PolarHBondContact N-O 3.2Å; I25-W50 HydrophobicContact CD1-CB 3.82Å; R31-W50 HydrophobicContact CB-CE3 4.1Å; R31-W50 VanDerWaalsContact CD-CE3 3.41Å; R31-W50 HydrophobicContact CG-CD2 4.37Å; R31-W50 HydrophobicContact CG-CE3 3.6Å; R31-W50 HydrophobicContact CG-CZ3 3.76Å; K48-W50 HydrophobicContact CB-CZ2 4.21Å; K48-W50 HydrophobicContact CD-CZ2 4.23Å
51Y91.9Very high79.8Confident3 Ų359.2 Ų59.21%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-139.4147.9176.9-60.9-95.7000110.8K19 K20 R31 I32 K34 E49 I56 K59K19-Y51 HydrophobicContact CB-CD1 4.27Å; K19-Y51 HydrophobicContact CB-CE1 3.63Å; K19-Y51 HydrophobicContact CB-CE2 4.19Å; K20-Y51 HydrophobicContact CB-CD1 4.07Å; K20-Y51 HydrophobicContact CB-CE1 4.18Å; R31-Y51 WeakPolarHBondContact CA-O 3.4Å; I32-Y51 PolarHBondContact N-O 3.04Å; I32-Y51 PolarHBondContact O-N 3.42Å; K34-Y51 HydrophobicContact CB-CE2 4.27Å; E49-Y51 HydrophobicContact CB-CE2 3.72Å; E49-Y51 WeakPolarHBondContact O-CD2 3.29Å; E49-Y51 VanDerWaalsContact O-CE2 3.26Å; E49-Y51 WeakPolarHBondContact O-CE2 3.45Å; E49-Y51 PolarHBondContact OE2-OH 3.4Å; Y51-I56 HydrophobicContact CD2-CD1 3.94Å; Y51-I56 HydrophobicContact CD2-CG1 4.34Å; Y51-I56 HydrophobicContact CE2-CD1 4.49Å; Y51-I56 HydrophobicContact CG-CB 4.07Å; Y51-I56 HydrophobicContact CG-CD1 4.34Å; Y51-I56 HydrophobicContact CG-CG1 4.3Å; Y51-K59 HydrophobicContact CE1-CD 3.74Å; Y51-K59 PolarHBondContact OH-NZ 3.25Å
52H91.8Very high80.7Confident42 Ų4266.4 Ų66.419%0.19433%0.332CS..EExtended strand (participates in β ladder)trans-62149.2157.6-57.3129.2000109.6K54 C55 I56H52-K54 PolarHBondContact O-N 2.92Å; H52-C55 HydrophobicContact CB-CB 3.96Å; H52-C55 WeakPolarHBondContact O-CA 3.28Å; H52-C55 VanDerWaalsContact O-CB 3.26Å; H52-C55 WeakPolarHBondContact O-CB 3.05Å; H52-C55 PolarHBondContact O-N 3.42Å; H52-I56 PolarHBondContact O-N 2.8Å; H52-I56 VanDerWaalsContact O-N 3.09Å
53V87.6Confident81.7Confident12 Ų1258.3 Ų58.37%0.07330%0.299CS..Hα-helixtrans-48.9-63-179.6179.80000111.8V30 I32 C55 I56 F57 I90V30-V53 HydrophobicContact CB-CG2 4.2Å; V30-V53 HydrophobicContact CG1-CG2 3.8Å; I32-V53 HydrophobicContact CD1-CB 4.5Å; I32-V53 HydrophobicContact CD1-CG1 4.2Å; I32-V53 HydrophobicContact CD1-CG2 4.33Å; I32-V53 HydrophobicContact CG1-CG2 4.39Å; V53-C55 PolarHBondContact O-N 2.92Å; V53-I56 WeakPolarHBondContact O-CG2 3.48Å; V53-I56 PolarHBondContact O-N 3.09Å; V53-F57 HydrophobicContact CG1-CD2 4.02Å; V53-F57 HydrophobicContact CG1-CE2 3.95Å; V53-F57 WeakPolarHBondContact O-CD2 3.49Å; V53-F57 PolarHBondContact O-N 3.3Å; V53-I90 HydrophobicContact CG1-CG1 3.72Å; V53-I90 HydrophobicContact CG2-CD1 4.44Å; V53-I90 HydrophobicContact CG2-CG1 4.28Å
54K87.8Confident82.2Confident131 Ų13162.8 Ų62.857%0.5730%0.299SS*.Hα-helixtrans-55-30.5176.3-177173.9179.5176.90113.5H52 E58H52-K54 PolarHBondContact O-N 2.92Å; K54-E58 VanDerWaalsContact CE-OE1 3.23Å; K54-E58 WeakPolarHBondContact CE-OE1 3.36Å; K54-E58 WeakPolarHBondContact CG-OE1 3.18Å; K54-E58 PolarHBondContact O-N 3.49Å
55C88.8Confident82.6Confident16 Ų1665.4 Ų65.411%0.10832%0.32CS..Hα-helixtrans-70.5-35.1178.2-81.90000113.9K20 H52 V53 K59K20-C55 HydrophobicContact CB-CB 4.2Å; K20-C55 HydrophobicContact CD-CB 3.87Å; K20-C55 WeakPolarHBondContact CD-O 3.2Å; H52-C55 HydrophobicContact CB-CB 3.96Å; H52-C55 WeakPolarHBondContact O-CA 3.28Å; H52-C55 VanDerWaalsContact O-CB 3.26Å; H52-C55 WeakPolarHBondContact O-CB 3.05Å; H52-C55 PolarHBondContact O-N 3.42Å; V53-C55 PolarHBondContact O-N 2.92Å; C55-K59 PolarHBondContact O-N 3.34Å
56I87.7Confident81.9Confident4 Ų469.5 Ų69.52%0.02134%0.336CS..Hα-helixtrans-76.5-39177.2-161.3166.3000111.5F6 I32 Y51 H52 V53 K59 L60F6-I56 HydrophobicContact CD1-CD1 3.92Å; F6-I56 HydrophobicContact CE1-CD1 3.92Å; I32-I56 HydrophobicContact CB-CD1 4.38Å; I32-I56 HydrophobicContact CB-CG2 3.93Å; I32-I56 HydrophobicContact CD1-CG2 3.72Å; I32-I56 HydrophobicContact CG1-CG2 4.36Å; I32-I56 HydrophobicContact CG2-CD1 3.73Å; I32-I56 HydrophobicContact CG2-CG2 4.08Å; Y51-I56 HydrophobicContact CD2-CD1 3.94Å; Y51-I56 HydrophobicContact CD2-CG1 4.34Å; Y51-I56 HydrophobicContact CE2-CD1 4.49Å; Y51-I56 HydrophobicContact CG-CB 4.07Å; Y51-I56 HydrophobicContact CG-CD1 4.34Å; Y51-I56 HydrophobicContact CG-CG1 4.3Å; H52-I56 PolarHBondContact O-N 2.8Å; H52-I56 VanDerWaalsContact O-N 3.09Å; V53-I56 WeakPolarHBondContact O-CG2 3.48Å; V53-I56 PolarHBondContact O-N 3.09Å; I56-K59 CarbonylContact O-C 3.55Å; I56-K59 WeakPolarHBondContact O-CA 3.4Å; I56-K59 WeakPolarHBondContact O-CB 3.35Å; I56-K59 PolarHBondContact O-N 2.87Å; I56-L60 HydrophobicContact CG1-CD1 4.36Å; I56-L60 HydrophobicContact CG1-CG 4.36Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.13Å
57F86.2Confident81.4Confident10 Ų1065.9 Ų65.94%0.04432%0.322CS..Hα-helixtrans-63.2-45.4179.6-76.6-74.6000112.9I32 V53 K59 L60 E61 I70 I90 H93 V94 L97I32-F57 HydrophobicContact CD1-CE2 3.86Å; V53-F57 HydrophobicContact CG1-CD2 4.02Å; V53-F57 HydrophobicContact CG1-CE2 3.95Å; V53-F57 WeakPolarHBondContact O-CD2 3.49Å; V53-F57 PolarHBondContact O-N 3.3Å; F57-K59 PolarHBondContact O-N 3.37Å; F57-L60 PolarHBondContact O-N 3.49Å; F57-L60 VanDerWaalsContact O-N 3.13Å; F57-E61 WeakPolarHBondContact O-CB 3.44Å; F57-E61 PolarHBondContact O-N 3.29Å; F57-I70 HydrophobicContact CE1-CB 4.47Å; F57-I70 HydrophobicContact CE1-CD1 4.5Å; F57-I70 HydrophobicContact CZ-CD1 4.26Å; F57-I90 HydrophobicContact CE2-CG2 4.25Å; F57-I90 HydrophobicContact CZ-CG2 4.17Å; F57-H93 HydrophobicContact CB-CB 4.38Å; F57-H93 HydrophobicContact CD1-CB 4.22Å; F57-H93 HydrophobicContact CD2-CB 3.59Å; F57-H93 HydrophobicContact CE1-CB 4.49Å; F57-H93 HydrophobicContact CE2-CB 3.88Å; F57-H93 HydrophobicContact CG-CB 3.79Å; F57-H93 HydrophobicContact CZ-CB 4.34Å; F57-V94 HydrophobicContact CE1-CB 4.47Å; F57-V94 HydrophobicContact CE1-CG2 3.67Å; F57-V94 HydrophobicContact CZ-CG2 3.6Å; F57-L97 HydrophobicContact CD1-CD2 4.17Å; F57-L97 HydrophobicContact CE1-CD2 4.48Å
58E84.8Confident80.7Confident58 Ų5868.1 Ų68.127%0.27133%0.331SS..Hα-helixtrans-63.1-21.5171.1-72.4177.9-134.900113.7K20 K54 R62K20-E58 IonicContact NZ-OE1 2.65Å; K20-E58 IonicContact NZ-OE2 3.25Å; K20-E58 PolarHBondContact NZ-OE2 2.85Å; K54-E58 VanDerWaalsContact CE-OE1 3.23Å; K54-E58 WeakPolarHBondContact CE-OE1 3.36Å; K54-E58 WeakPolarHBondContact CG-OE1 3.18Å; K54-E58 PolarHBondContact O-N 3.49Å; E58-R62 WeakPolarHBondContact O-CG 3.43Å
59K83.6Confident80.2Confident96 Ų9664.8 Ų64.842%0.41732%0.316SS..Hα-helixtrans-80.9-35.3174-177.9176.7173177.80111.4Y51 C55 I56 F57 A63Y51-K59 HydrophobicContact CE1-CD 3.74Å; Y51-K59 PolarHBondContact OH-NZ 3.25Å; C55-K59 PolarHBondContact O-N 3.34Å; I56-K59 CarbonylContact O-C 3.55Å; I56-K59 WeakPolarHBondContact O-CA 3.4Å; I56-K59 WeakPolarHBondContact O-CB 3.35Å; I56-K59 PolarHBondContact O-N 2.87Å; F57-K59 PolarHBondContact O-N 3.37Å; K59-A63 PolarHBondContact O-N 2.67Å
60L83.1Confident79.5Confident7 Ų763 Ų634%0.03731%0.308CS..Hα-helixtrans-74.5-35.4175.1-66.9176.7000112.1F6 I56 F57 R62 A63 K69 I70 L97F6-L60 HydrophobicContact CE1-CD2 4.48Å; F6-L60 HydrophobicContact CZ-CD2 4.21Å; I56-L60 HydrophobicContact CG1-CD1 4.36Å; I56-L60 HydrophobicContact CG1-CG 4.36Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.13Å; F57-L60 PolarHBondContact O-N 3.49Å; F57-L60 VanDerWaalsContact O-N 3.13Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.23Å; L60-A63 WeakPolarHBondContact O-CB 3.39Å; L60-A63 PolarHBondContact O-N 3.38Å; L60-K69 HydrophobicContact CB-CG 4.38Å; L60-K69 WeakPolarHBondContact O-CE 3.36Å; L60-I70 HydrophobicContact CD1-CB 4.34Å; L60-I70 HydrophobicContact CD1-CD1 3.84Å; L60-I70 HydrophobicContact CD1-CG1 3.96Å; L60-L97 HydrophobicContact CB-CD2 4.33Å
61E79.6Confident78.1Confident72 Ų7266.6 Ų66.634%0.33633%0.327SS..Hα-helixtrans-55.7-41.6171.5-177.9-178-129.100111.7F57 L97 K100F57-E61 WeakPolarHBondContact O-CB 3.44Å; F57-E61 PolarHBondContact O-N 3.29Å; E61-L97 HydrophobicContact CB-CD1 3.89Å; E61-K100 VanDerWaalsContact OE1-CD 3.29Å; E61-K100 WeakPolarHBondContact OE1-CD 3.47Å; E61-K100 WeakPolarHBondContact OE1-CE 3.42Å; E61-K100 IonicContact OE1-NZ 2.67Å; E61-K100 PolarHBondContact OE1-NZ 3.42Å
62R76.2Confident76.8Confident196 Ų19670.2 Ų70.274%0.7435%0.346SS*.THydrogen-bonded Turntrans-92.78.1-179.8-58.3179.2-168.4-1653.2114E58 L60E58-R62 WeakPolarHBondContact O-CG 3.43Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.23Å
63A75.4Confident75.4Confident30 Ų3070.4 Ų70.425%0.24835%0.348CS..SBendtrans-79.1153178.700000111.7K59 L60 T67K59-A63 PolarHBondContact O-N 2.67Å; L60-A63 WeakPolarHBondContact O-CB 3.39Å; L60-A63 PolarHBondContact O-N 3.38Å; A63-T67 HydrophobicContact CB-CG2 4.12Å
64R66Low74.2Confident206 Ų20675.4 Ų75.478%0.77738%0.379SS*.  trans-63.1148172.9-65.6-178.3178-175.2-2.2109.8T66 T67R64-T66 PolarHBondContact O-N 3.5Å; R64-T67 VanDerWaalsContact O-CB 3.23Å; R64-T67 WeakPolarHBondContact O-CB 3.48Å; R64-T67 PolarHBondContact O-N 3.14Å; R64-T67 PolarHBondContact O-OG1 3.37Å
65A63.3Low73.1Confident107 Ų10771.5 Ų71.588%0.88436%0.363SS*.THydrogen-bonded Turntrans-55.7-21.6-179.300000114.8T67A65-T67 VanDerWaalsContact C-N 3.25Å; A65-T67 PolarHBondContact O-N 3.22Å
66T55.5Low72.5Confident133 Ų13371 Ų7182%0.81636%0.359SS*.THydrogen-bonded Turntrans-83.211174.363.30000114.2R64R64-T66 PolarHBondContact O-N 3.5Å
67T68.8Low72.1Confident40 Ų4074.8 Ų74.825%0.24538%0.376CS..SBendtrans-105.6122.6-179.3-40.20000108.5A63 R64 A65 K69A63-T67 HydrophobicContact CB-CG2 4.12Å; R64-T67 VanDerWaalsContact O-CB 3.23Å; R64-T67 WeakPolarHBondContact O-CB 3.48Å; R64-T67 PolarHBondContact O-N 3.14Å; R64-T67 PolarHBondContact O-OG1 3.37Å; A65-T67 VanDerWaalsContact C-N 3.25Å; A65-T67 PolarHBondContact O-N 3.22Å; T67-K69 PolarHBondContact O-N 2.98Å
68K67.1Low71.7Confident91 Ų9175.8 Ų75.840%0.39639%0.39SS..  trans-56.5122.9174.4-167.6178-174.2-170.30109.7Q4 E75Q4-K68 HydrophobicContact CB-CB 4.42Å; K68-E75 WeakPolarHBondContact CE-OE1 3.39Å; K68-E75 WeakPolarHBondContact CE-OE2 3.46Å; K68-E75 IonicContact NZ-OE1 2.77Å; K68-E75 PolarHBondContact NZ-OE1 2.94Å; K68-E75 IonicContact NZ-OE2 3.72Å; K68-E75 PolarHBondContact NZ-OE2 2.97Å
69K77Confident71.5Confident30 Ų3075.3 Ų75.313%0.1339%0.386CS..  trans-94.5163.3170.2-63.6173.8178.4-178.30108.5L60 T67 E71 L97L60-K69 HydrophobicContact CB-CG 4.38Å; L60-K69 WeakPolarHBondContact O-CE 3.36Å; T67-K69 PolarHBondContact O-N 2.98Å; K69-E71 HydrophobicContact CB-CG 3.93Å; K69-E71 PolarHBondContact O-N 2.99Å; K69-L97 HydrophobicContact CB-CD2 4.24Å; K69-L97 HydrophobicContact CD-CD2 4.24Å
70I74.6Confident71.2Confident0 Ų079.4 Ų79.40%041%0.406CS..  trans-75.9101.6166.7-59.9159.6000105F6 I32 F57 L60 L76 V94F6-I70 HydrophobicContact CB-CD1 4.42Å; F6-I70 HydrophobicContact CB-CG1 4.34Å; F6-I70 HydrophobicContact CD1-CD1 4.02Å; F6-I70 HydrophobicContact CD1-CG1 4.09Å; F6-I70 HydrophobicContact CD2-CD1 4.47Å; F6-I70 HydrophobicContact CD2-CG1 3.69Å; F6-I70 HydrophobicContact CE1-CD1 4.33Å; F6-I70 HydrophobicContact CE1-CG1 4.23Å; F6-I70 HydrophobicContact CE2-CG1 3.86Å; F6-I70 HydrophobicContact CG-CD1 4.09Å; F6-I70 HydrophobicContact CG-CG1 3.81Å; F6-I70 HydrophobicContact CZ-CG1 4.12Å; I32-I70 HydrophobicContact CG2-CD1 4.36Å; F57-I70 HydrophobicContact CE1-CB 4.47Å; F57-I70 HydrophobicContact CE1-CD1 4.5Å; F57-I70 HydrophobicContact CZ-CD1 4.26Å; L60-I70 HydrophobicContact CD1-CB 4.34Å; L60-I70 HydrophobicContact CD1-CD1 3.84Å; L60-I70 HydrophobicContact CD1-CG1 3.96Å; I70-L76 HydrophobicContact CD1-CD2 4.08Å; I70-L76 HydrophobicContact CG2-CD1 4.41Å; I70-L76 HydrophobicContact CG2-CG 4.29Å; I70-V94 HydrophobicContact CG2-CG2 4.34Å
71E63.7Low70.9Confident115 Ų11585 Ų8554%0.53743%0.432SS..  trans-106.5-21.3-176.2-70.9173.9-164.300111.9K69 M98K69-E71 HydrophobicContact CB-CG 3.93Å; K69-E71 PolarHBondContact O-N 2.99Å; E71-M98 WeakPolarHBondContact O-CE 3.33Å
72D63.2Low71.1Confident79 Ų7981.8 Ų81.842%0.42242%0.417SS..SBendtrans-132154.7169-173.315000110.3T74 E75D72-T74 VanDerWaalsContact C-N 3.31Å; D72-T74 VanDerWaalsContact CG-OG1 3.26Å; D72-T74 WeakPolarHBondContact OD2-CB 3.34Å; D72-T74 VanDerWaalsContact OD2-CG2 3.23Å; D72-T74 WeakPolarHBondContact OD2-CG2 3.32Å; D72-T74 PolarHBondContact OD2-OG1 3.42Å; D72-E75 HydrophobicContact CB-CG 4.34Å; D72-E75 WeakPolarHBondContact O-CB 3.26Å; D72-E75 PolarHBondContact O-N 2.89Å
73L63.9Low71.4Confident45 Ų4578.4 Ų78.424%0.23641%0.41CS..G310 helixtrans-73-25.8178.8-56.5171.4000111.7E75 L76 W79 N91 V94L73-E75 PolarHBondContact O-N 2.6Å; L73-E75 VanDerWaalsContact O-N 3.11Å; L73-L76 PolarHBondContact O-N 3.39Å; L73-L76 VanDerWaalsContact O-N 3.15Å; L73-W79 HydrophobicContact CB-CZ2 4.43Å; L73-W79 HydrophobicContact CD1-CH2 4.47Å; L73-W79 HydrophobicContact CD1-CZ2 3.91Å; L73-W79 HydrophobicContact CD2-CH2 3.86Å; L73-W79 HydrophobicContact CD2-CZ2 4.08Å; L73-W79 HydrophobicContact CD2-CZ3 4.28Å; L73-W79 HydrophobicContact CG-CZ2 4.36Å; L73-N91 WeakPolarHBondContact CD1-OD1 3.29Å; L73-N91 VanDerWaalsContact CD2-OD1 3.23Å; L73-N91 WeakPolarHBondContact CD2-OD1 3.42Å; L73-V94 HydrophobicContact CD2-CG2 4.09Å
74T61.2Low71.6Confident117 Ų11782.1 Ų82.172%0.71843%0.426SS*.G310 helixtrans-60.4-15.9172.864.60000113.2D72 L76D72-T74 VanDerWaalsContact C-N 3.31Å; D72-T74 VanDerWaalsContact CG-OG1 3.26Å; D72-T74 WeakPolarHBondContact OD2-CB 3.34Å; D72-T74 VanDerWaalsContact OD2-CG2 3.23Å; D72-T74 WeakPolarHBondContact OD2-CG2 3.32Å; D72-T74 PolarHBondContact OD2-OG1 3.42Å; T74-L76 VanDerWaalsContact C-N 3.3Å; T74-L76 PolarHBondContact O-N 3.15Å
75E66Low72.2Confident50 Ų5080.3 Ų80.323%0.23443%0.426CS..G310 helixtrans-84.52.3177.7-49-160.2141.200114.4F6 K68 D72 L73F6-E75 VanDerWaalsContact O-O 3.09Å; K68-E75 WeakPolarHBondContact CE-OE1 3.39Å; K68-E75 WeakPolarHBondContact CE-OE2 3.46Å; K68-E75 IonicContact NZ-OE1 2.77Å; K68-E75 PolarHBondContact NZ-OE1 2.94Å; K68-E75 IonicContact NZ-OE2 3.72Å; K68-E75 PolarHBondContact NZ-OE2 2.97Å; D72-E75 HydrophobicContact CB-CG 4.34Å; D72-E75 WeakPolarHBondContact O-CB 3.26Å; D72-E75 PolarHBondContact O-N 2.89Å; L73-E75 PolarHBondContact O-N 2.6Å; L73-E75 VanDerWaalsContact O-N 3.11Å
76L75.5Confident73.2Confident6 Ų677.1 Ų77.13%0.03139%0.394CS..EExtended strand (participates in β ladder)trans-105.694.4179-70174000111.4F6 V8 I32 I70 L73 T74 G78 W79 I90F6-L76 HydrophobicContact CB-CD2 3.82Å; V8-L76 HydrophobicContact CG1-CB 4.14Å; I32-L76 HydrophobicContact CG2-CD2 4.15Å; I70-L76 HydrophobicContact CD1-CD2 4.08Å; I70-L76 HydrophobicContact CG2-CD1 4.41Å; I70-L76 HydrophobicContact CG2-CG 4.29Å; L73-L76 PolarHBondContact O-N 3.39Å; L73-L76 VanDerWaalsContact O-N 3.15Å; T74-L76 VanDerWaalsContact C-N 3.3Å; T74-L76 PolarHBondContact O-N 3.15Å; L76-G78 PolarHBondContact O-N 3.26Å; L76-W79 HydrophobicContact CB-CB 4.35Å; L76-W79 HydrophobicContact CD1-CE3 3.86Å; L76-W79 HydrophobicContact CD1-CZ3 4.08Å; L76-W79 WeakPolarHBondContact O-CB 3.3Å; L76-W79 PolarHBondContact O-N 3.25Å; L76-W79 VanDerWaalsContact O-N 3.1Å; L76-I90 HydrophobicContact CD1-CG2 4.06Å
77E78.4Confident74.4Confident82 Ų8272.7 Ų72.738%0.38336%0.364SS..EExtended strand (participates in β ladder)trans-53.7122.6169.9-63169.4-165.900110R5 F6 L7 V8R5-E77 WeakPolarHBondContact CD-OE1 3.44Å; F6-E77 PolarHBondContact O-N 3.34Å; L7-E77 CarbonylContact C-O 3.56Å; L7-E77 WeakPolarHBondContact CA-O 3.36Å; L7-E77 HydrophobicContact CB-CB 3.76Å; L7-E77 WeakPolarHBondContact CB-O 3.36Å; V8-E77 PolarHBondContact N-O 2.88Å
78G78.4Confident75.1Confident32 Ų3277.7 Ų77.733%0.3338%0.384SS..THydrogen-bonded Turntrans93.76.1-178.200000116L76 E80 E81L76-G78 PolarHBondContact O-N 3.26Å; G78-E80 PolarHBondContact O-N 3.49Å; G78-E81 PolarHBondContact O-N 3.1Å; G78-E81 VanDerWaalsContact O-N 3.15Å
79W80.3Confident75.8Confident48 Ų4877.2 Ų77.218%0.18239%0.385CS..G310 helixtrans-51.6-37176.3179.8-109.7000114.5V8 L73 L76 E81 L82 K87 I90 N91V8-W79 HydrophobicContact CG1-CE3 4.47Å; L73-W79 HydrophobicContact CB-CZ2 4.43Å; L73-W79 HydrophobicContact CD1-CH2 4.47Å; L73-W79 HydrophobicContact CD1-CZ2 3.91Å; L73-W79 HydrophobicContact CD2-CH2 3.86Å; L73-W79 HydrophobicContact CD2-CZ2 4.08Å; L73-W79 HydrophobicContact CD2-CZ3 4.28Å; L73-W79 HydrophobicContact CG-CZ2 4.36Å; L76-W79 HydrophobicContact CB-CB 4.35Å; L76-W79 HydrophobicContact CD1-CE3 3.86Å; L76-W79 HydrophobicContact CD1-CZ3 4.08Å; L76-W79 WeakPolarHBondContact O-CB 3.3Å; L76-W79 PolarHBondContact O-N 3.25Å; L76-W79 VanDerWaalsContact O-N 3.1Å; W79-E81 VanDerWaalsContact C-N 3.29Å; W79-E81 PolarHBondContact O-N 2.81Å; W79-L82 HydrophobicContact CE3-CD1 3.78Å; W79-L82 HydrophobicContact CZ3-CD1 3.97Å; W79-L82 PolarHBondContact O-N 2.97Å; W79-K87 HydrophobicContact CD2-CG 4.49Å; W79-K87 HydrophobicContact CH2-CB 3.67Å; W79-K87 HydrophobicContact CH2-CG 3.9Å; W79-K87 HydrophobicContact CZ2-CB 3.63Å; W79-K87 HydrophobicContact CZ2-CD 4.19Å; W79-K87 HydrophobicContact CZ2-CG 3.7Å; W79-K87 HydrophobicContact CZ3-CB 4.49Å; W79-K87 HydrophobicContact CZ3-CG 4.35Å; W79-K87 WeakPolarHBondContact O-CE 3.29Å; W79-I90 HydrophobicContact CH2-CB 4.02Å; W79-I90 HydrophobicContact CH2-CG2 4.09Å; W79-I90 HydrophobicContact CZ3-CB 3.77Å; W79-I90 HydrophobicContact CZ3-CD1 3.81Å; W79-I90 HydrophobicContact CZ3-CG1 4.38Å; W79-I90 HydrophobicContact CZ3-CG2 3.65Å; W79-N91 VanDerWaalsContact CH2-OD1 3.22Å; W79-N91 WeakPolarHBondContact CH2-OD1 3.47Å; W79-N91 WeakPolarHBondContact CZ2-OD1 3.46Å
80E77.6Confident76.1Confident181 Ų18175.8 Ų75.885%0.84638%0.379SS*.G310 helixtrans-66.3-26.6-178-61.9177.1175.700113.3G78 L82G78-E80 PolarHBondContact O-N 3.49Å; E80-L82 PolarHBondContact O-N 3.17Å
81E76.9Confident76.5Confident125 Ų12578.4 Ų78.458%0.58439%0.393SS*.G310 helixtrans-76.4-3.9-179.8-64.4-172.5-175.600113.7G78 W79G78-E81 PolarHBondContact O-N 3.1Å; G78-E81 VanDerWaalsContact O-N 3.15Å; W79-E81 VanDerWaalsContact C-N 3.29Å; W79-E81 PolarHBondContact O-N 2.81Å
82L83.6Confident77.6Confident4 Ų479.5 Ų79.52%0.02140%0.396CS..SBendtrans-84.1150.8-176.6-64.1179.7000113.5V8 Y10 V30 W79 E80 K87 I90V8-L82 HydrophobicContact CG1-CD1 3.88Å; V8-L82 HydrophobicContact CG1-CG 4.34Å; V8-L82 HydrophobicContact CG2-CD1 3.9Å; V8-L82 HydrophobicContact CG2-CD2 4.24Å; Y10-L82 HydrophobicContact CD2-CD2 4.33Å; Y10-L82 HydrophobicContact CE2-CD2 3.78Å; V30-L82 HydrophobicContact CG1-CD2 4.1Å; V30-L82 HydrophobicContact CG2-CD2 3.9Å; W79-L82 HydrophobicContact CE3-CD1 3.78Å; W79-L82 HydrophobicContact CZ3-CD1 3.97Å; W79-L82 PolarHBondContact O-N 2.97Å; E80-L82 PolarHBondContact O-N 3.17Å; L82-K87 HydrophobicContact CB-CD 4.48Å; L82-K87 HydrophobicContact CB-CG 3.83Å; L82-K87 HydrophobicContact CD1-CG 4.36Å; L82-K87 WeakPolarHBondContact O-CE 3.4Å; L82-K87 PolarHBondContact O-NZ 3.36Å; L82-I90 HydrophobicContact CD1-CD1 3.8Å
83Q82.5Confident78.6Confident125 Ų12577.6 Ų77.658%0.58439%0.385SS*.  trans-71.2151.2162.5-60.2-59.3-8100110.4Y10 E85 D86 K87Y10-Q83 WeakPolarHBondContact OH-CB 3.28Å; Y10-Q83 WeakPolarHBondContact OH-CG 3.25Å; Y10-Q83 PolarHBondContact OH-N 3.47Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.09Å; Q83-D86 PolarHBondContact O-N 2.78Å; Q83-D86 VanDerWaalsContact O-N 3.11Å; Q83-K87 PolarHBondContact O-N 2.78Å; Q83-K87 VanDerWaalsContact O-N 3.1Å
84D79.1Confident79.5Confident109 Ų10975.9 Ų75.958%0.58338%0.376SS*.Hα-helixtrans-68.9-29.6-171.7-59-41000113D86 K87 E88D84-D86 VanDerWaalsContact C-N 3.32Å; D84-D86 PolarHBondContact O-N 2.93Å; D84-K87 WeakPolarHBondContact O-CB 3.43Å; D84-K87 PolarHBondContact O-N 3.35Å; D84-K87 VanDerWaalsContact O-N 3.17Å; D84-K87 WeakPolarHBondContact OD1-CD 3.4Å; D84-K87 IonicContact OD1-NZ 2.61Å; D84-K87 PolarHBondContact OD1-NZ 3.03Å; D84-E88 PolarHBondContact O-N 2.78Å
85E80Confident80.5Confident168 Ų16873.8 Ų73.879%0.78537%0.366SS*.Hα-helixtrans-57.5-41.5170.4-59177.7179.800112.6Q83 L89Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.09Å; E85-L89 PolarHBondContact O-N 3.04Å; E85-L89 VanDerWaalsContact O-N 3.17Å
86D84.3Confident81.2Confident39 Ų3974.8 Ų74.821%0.20937%0.373CS..Hα-helixtrans-74.4-32.8176.7-81-58.6000111.9Y10 V30 Q83 D84 L89 I90Y10-D86 VanDerWaalsContact CE1-OD2 3.24Å; Y10-D86 WeakPolarHBondContact CE1-OD2 3.24Å; Y10-D86 PolarHBondContact OH-OD2 3.5Å; V30-D86 HydrophobicContact CG2-CB 3.9Å; V30-D86 VanDerWaalsContact CG2-OD1 3.32Å; V30-D86 WeakPolarHBondContact CG2-OD1 3.49Å; V30-D86 WeakPolarHBondContact CG2-OD2 3.36Å; Q83-D86 PolarHBondContact O-N 2.78Å; Q83-D86 VanDerWaalsContact O-N 3.11Å; D84-D86 VanDerWaalsContact C-N 3.32Å; D84-D86 PolarHBondContact O-N 2.93Å; D86-L89 PolarHBondContact O-N 2.88Å; D86-I90 WeakPolarHBondContact O-CG1 3.48Å; D86-I90 PolarHBondContact O-N 2.92Å; D86-I90 VanDerWaalsContact O-N 3.1Å
87K81.1Confident81.4Confident41 Ų4175 Ų7518%0.17837%0.374CS..Hα-helixtrans-63.9-45.7172.5-65.9175.6-163.9145.20110.4W79 L82 Q83 D84 L89 I90 N91W79-K87 HydrophobicContact CD2-CG 4.49Å; W79-K87 HydrophobicContact CH2-CB 3.67Å; W79-K87 HydrophobicContact CH2-CG 3.9Å; W79-K87 HydrophobicContact CZ2-CB 3.63Å; W79-K87 HydrophobicContact CZ2-CD 4.19Å; W79-K87 HydrophobicContact CZ2-CG 3.7Å; W79-K87 HydrophobicContact CZ3-CB 4.49Å; W79-K87 HydrophobicContact CZ3-CG 4.35Å; W79-K87 WeakPolarHBondContact O-CE 3.29Å; L82-K87 HydrophobicContact CB-CD 4.48Å; L82-K87 HydrophobicContact CB-CG 3.83Å; L82-K87 HydrophobicContact CD1-CG 4.36Å; L82-K87 WeakPolarHBondContact O-CE 3.4Å; L82-K87 PolarHBondContact O-NZ 3.36Å; Q83-K87 PolarHBondContact O-N 2.78Å; Q83-K87 VanDerWaalsContact O-N 3.1Å; D84-K87 WeakPolarHBondContact O-CB 3.43Å; D84-K87 PolarHBondContact O-N 3.35Å; D84-K87 VanDerWaalsContact O-N 3.17Å; D84-K87 WeakPolarHBondContact OD1-CD 3.4Å; D84-K87 IonicContact OD1-NZ 2.61Å; D84-K87 PolarHBondContact OD1-NZ 3.03Å; K87-L89 VanDerWaalsContact C-N 3.33Å; K87-L89 PolarHBondContact O-N 2.88Å; K87-I90 PolarHBondContact O-N 3.47Å; K87-N91 WeakPolarHBondContact O-CB 3.5Å; K87-N91 PolarHBondContact O-N 3.15Å; K87-N91 PolarHBondContact O-ND2 3.25Å; K87-N91 PolarHBondContact O-OD1 3.48Å
88E81.9Confident81.3Confident144 Ų14475 Ų7567%0.67338%0.375SS*.Hα-helixtrans-58.4-42.9174.6-74.9-168.6-179.400112.4D84 I90 N91 K92D84-E88 PolarHBondContact O-N 2.78Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 2.77Å; E88-N91 PolarHBondContact O-N 3.32Å; E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3.39Å
89L82.7Confident81.2Confident81 Ų8176.4 Ų76.442%0.42438%0.384SS..Hα-helixtrans-60.9-39.6176.9-18061.7000112.5E85 D86 K87 H93E85-L89 PolarHBondContact O-N 3.04Å; E85-L89 VanDerWaalsContact O-N 3.17Å; D86-L89 PolarHBondContact O-N 2.88Å; K87-L89 VanDerWaalsContact C-N 3.33Å; K87-L89 PolarHBondContact O-N 2.88Å; L89-H93 PolarHBondContact O-CD2 3.01Å; L89-H93 PolarHBondContact O-N 3.48Å
90I83.5Confident80.8Confident1 Ų179.6 Ų79.61%0.00540%0.399CS..Hα-helixtrans-73.3-44.5176.1-66.6167.1000110.8V8 V30 V53 F57 L76 W79 L82 D86 K87 E88 K92 H93 V94V8-I90 HydrophobicContact CG2-CD1 4.04Å; V30-I90 HydrophobicContact CG1-CD1 4.2Å; V53-I90 HydrophobicContact CG1-CG1 3.72Å; V53-I90 HydrophobicContact CG2-CD1 4.44Å; V53-I90 HydrophobicContact CG2-CG1 4.28Å; F57-I90 HydrophobicContact CE2-CG2 4.25Å; F57-I90 HydrophobicContact CZ-CG2 4.17Å; L76-I90 HydrophobicContact CD1-CG2 4.06Å; W79-I90 HydrophobicContact CH2-CB 4.02Å; W79-I90 HydrophobicContact CH2-CG2 4.09Å; W79-I90 HydrophobicContact CZ3-CB 3.77Å; W79-I90 HydrophobicContact CZ3-CD1 3.81Å; W79-I90 HydrophobicContact CZ3-CG1 4.38Å; W79-I90 HydrophobicContact CZ3-CG2 3.65Å; L82-I90 HydrophobicContact CD1-CD1 3.8Å; D86-I90 WeakPolarHBondContact O-CG1 3.48Å; D86-I90 PolarHBondContact O-N 2.92Å; D86-I90 VanDerWaalsContact O-N 3.1Å; K87-I90 PolarHBondContact O-N 3.47Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 2.77Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 2.88Å; I90-H93 CarbonylContact O-C 3.54Å; I90-H93 WeakPolarHBondContact O-CA 3.49Å; I90-H93 PolarHBondContact O-N 2.99Å; I90-V94 HydrophobicContact CG2-CG2 4.28Å; I90-V94 WeakPolarHBondContact O-CG2 3.35Å; I90-V94 PolarHBondContact O-N 3.4Å
91N83.7Confident80.3Confident54 Ų5474 Ų7429%0.28938%0.377SS..Hα-helixtrans-55.5-41.9177.1-70.8-7.8000111.8L73 W79 K87 E88 V94 S95L73-N91 WeakPolarHBondContact CD1-OD1 3.29Å; L73-N91 VanDerWaalsContact CD2-OD1 3.23Å; L73-N91 WeakPolarHBondContact CD2-OD1 3.42Å; W79-N91 VanDerWaalsContact CH2-OD1 3.22Å; W79-N91 WeakPolarHBondContact CH2-OD1 3.47Å; W79-N91 WeakPolarHBondContact CZ2-OD1 3.46Å; K87-N91 WeakPolarHBondContact O-CB 3.5Å; K87-N91 PolarHBondContact O-N 3.15Å; K87-N91 PolarHBondContact O-ND2 3.25Å; K87-N91 PolarHBondContact O-OD1 3.48Å; E88-N91 PolarHBondContact O-N 3.32Å; N91-V94 PolarHBondContact O-N 3.46Å; N91-S95 WeakPolarHBondContact O-CB 3.42Å; N91-S95 PolarHBondContact O-N 2.84Å; N91-S95 PolarHBondContact O-OG 2.97Å
92K85.4Confident79.6Confident139 Ų13973.6 Ų73.660%0.60438%0.379SS*.Hα-helixtrans-60.5-45.2173.9-172.4170-173.3167.10111.8E88 I90 S95 D96E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3.39Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 2.88Å; K92-S95 PolarHBondContact O-N 3.44Å; K92-D96 WeakPolarHBondContact O-CB 3.14Å; K92-D96 VanDerWaalsContact O-CG 3.29Å; K92-D96 PolarHBondContact O-N 2.93Å
93H83.8Confident78.4Confident39 Ų3977.1 Ų77.118%0.18141%0.409CS..Hα-helixtrans-71.3-31179-79.1-37.8000114.5F57 L89 I90 D96 L97F57-H93 HydrophobicContact CB-CB 4.38Å; F57-H93 HydrophobicContact CD1-CB 4.22Å; F57-H93 HydrophobicContact CD2-CB 3.59Å; F57-H93 HydrophobicContact CE1-CB 4.49Å; F57-H93 HydrophobicContact CE2-CB 3.88Å; F57-H93 HydrophobicContact CG-CB 3.79Å; F57-H93 HydrophobicContact CZ-CB 4.34Å; L89-H93 PolarHBondContact O-CD2 3.01Å; L89-H93 PolarHBondContact O-N 3.48Å; I90-H93 CarbonylContact O-C 3.54Å; I90-H93 WeakPolarHBondContact O-CA 3.49Å; I90-H93 PolarHBondContact O-N 2.99Å; H93-D96 IonicContact ND1-OD2 2.68Å; H93-L97 WeakPolarHBondContact O-CB 3.38Å; H93-L97 PolarHBondContact O-N 3.15Å
94V83.3Confident76.4Confident8 Ų874.7 Ų74.75%0.04841%0.405CS..Hα-helixtrans-66.3-44.9168.6175.10000110.2F57 I70 L73 I90 N91 L97 M98F57-V94 HydrophobicContact CE1-CB 4.47Å; F57-V94 HydrophobicContact CE1-CG2 3.67Å; F57-V94 HydrophobicContact CZ-CG2 3.6Å; I70-V94 HydrophobicContact CG2-CG2 4.34Å; L73-V94 HydrophobicContact CD2-CG2 4.09Å; I90-V94 HydrophobicContact CG2-CG2 4.28Å; I90-V94 WeakPolarHBondContact O-CG2 3.35Å; I90-V94 PolarHBondContact O-N 3.4Å; N91-V94 PolarHBondContact O-N 3.46Å; V94-L97 WeakPolarHBondContact O-CB 3.5Å; V94-L97 PolarHBondContact O-N 3.17Å; V94-M98 HydrophobicContact CG1-CE 3.87Å; V94-M98 PolarHBondContact O-N 2.91Å
95S81.9Confident74.2Confident73 Ų7375.7 Ų75.751%0.5142%0.418SS..Hα-helixtrans-62.6-46178.8-57.20000112.3N91 K92 L97 M98 A99N91-S95 WeakPolarHBondContact O-CB 3.42Å; N91-S95 PolarHBondContact O-N 2.84Å; N91-S95 PolarHBondContact O-OG 2.97Å; K92-S95 PolarHBondContact O-N 3.44Å; S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 PolarHBondContact O-N 2.82Å; S95-M98 PolarHBondContact O-N 2.87Å; S95-A99 WeakPolarHBondContact O-CB 3.44Å; S95-A99 PolarHBondContact O-N 2.87Å
96D82.2Confident71.9Confident72 Ų7276.7 Ų76.739%0.38542%0.42SS..Hα-helixtrans-56.4-40.3173.1-76.5-23.3000111.8K92 H93 K100K92-D96 WeakPolarHBondContact O-CB 3.14Å; K92-D96 VanDerWaalsContact O-CG 3.29Å; K92-D96 PolarHBondContact O-N 2.93Å; H93-D96 IonicContact ND1-OD2 2.68Å; D96-K100 WeakPolarHBondContact O-CD 3.4Å; D96-K100 VanDerWaalsContact O-CG 3.27Å; D96-K100 WeakPolarHBondContact O-CG 3.32Å; D96-K100 PolarHBondContact O-N 3.12Å
97L78.8Confident69.1Low11 Ų1184.7 Ų84.76%0.05845%0.453CS..Hα-helixtrans-68.1-45.9179.2-170.873.5000111.1F57 L60 E61 K69 H93 V94 S95 K100 V101F57-L97 HydrophobicContact CD1-CD2 4.17Å; F57-L97 HydrophobicContact CE1-CD2 4.48Å; L60-L97 HydrophobicContact CB-CD2 4.33Å; E61-L97 HydrophobicContact CB-CD1 3.89Å; K69-L97 HydrophobicContact CB-CD2 4.24Å; K69-L97 HydrophobicContact CD-CD2 4.24Å; H93-L97 WeakPolarHBondContact O-CB 3.38Å; H93-L97 PolarHBondContact O-N 3.15Å; V94-L97 WeakPolarHBondContact O-CB 3.5Å; V94-L97 PolarHBondContact O-N 3.17Å; S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 PolarHBondContact O-N 2.82Å; L97-K100 PolarHBondContact O-N 3.22Å; L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 2.63Å; L97-V101 VanDerWaalsContact O-N 3.08Å
98M76.2Confident66.5Low80 Ų8092 Ų9239%0.39448%0.484SS..Hα-helixtrans-67.9-40.8179.2-72.7-145.6-106.600112.8E71 V94 S95 K100 V101 N102E71-M98 WeakPolarHBondContact O-CE 3.33Å; V94-M98 HydrophobicContact CG1-CE 3.87Å; V94-M98 PolarHBondContact O-N 2.91Å; S95-M98 PolarHBondContact O-N 2.87Å; M98-K100 VanDerWaalsContact C-N 3.3Å; M98-K100 PolarHBondContact O-N 3.45Å; M98-V101 PolarHBondContact O-N 3.08Å; M98-N102 WeakPolarHBondContact O-CB 3.41Å; M98-N102 PolarHBondContact O-N 2.86Å; M98-N102 PolarHBondContact O-ND2 3.09Å
99A77.1Confident63.9Low63 Ų6391.9 Ų91.952%0.52149%0.493SS..Hα-helixtrans-57.4-44.2175.500000111.6S95 N102 A103S95-A99 WeakPolarHBondContact O-CB 3.44Å; S95-A99 PolarHBondContact O-N 2.87Å; A99-N102 PolarHBondContact O-N 2.95Å; A99-A103 PolarHBondContact O-N 3.37Å
100K71.5Confident61.2Low114 Ų11496.7 Ų96.750%0.49651%0.513SS..Hα-helixtrans-67.9-35.2176.6-70.6169.8-179175.20113.5E61 D96 L97 M98E61-K100 VanDerWaalsContact OE1-CD 3.29Å; E61-K100 WeakPolarHBondContact OE1-CD 3.47Å; E61-K100 WeakPolarHBondContact OE1-CE 3.42Å; E61-K100 IonicContact OE1-NZ 2.67Å; E61-K100 PolarHBondContact OE1-NZ 3.42Å; D96-K100 WeakPolarHBondContact O-CD 3.4Å; D96-K100 VanDerWaalsContact O-CG 3.27Å; D96-K100 WeakPolarHBondContact O-CG 3.32Å; D96-K100 PolarHBondContact O-N 3.12Å; L97-K100 PolarHBondContact O-N 3.22Å; M98-K100 VanDerWaalsContact C-N 3.3Å; M98-K100 PolarHBondContact O-N 3.45Å
101V67.6Low58.4Low65 Ų65101 Ų10139%0.39455%0.55SS..Hα-helixtrans-64.3-46.7173.4168.20000110.3L97 M98 A103 S104L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 2.63Å; L97-V101 VanDerWaalsContact O-N 3.08Å; M98-V101 PolarHBondContact O-N 3.08Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.42Å; V101-S104 WeakPolarHBondContact O-CB 3.45Å; V101-S104 PolarHBondContact O-N 3.46Å; V101-S104 PolarHBondContact O-OG 3.07Å
102N61.4Low55.5Low116 Ų116108.2 Ų108.262%0.6258%0.578SS**Hα-helixtrans-71.1-21.1-178.4-74.1-37.2000114.3M98 A99 S104M98-N102 WeakPolarHBondContact O-CB 3.41Å; M98-N102 PolarHBondContact O-N 2.86Å; M98-N102 PolarHBondContact O-ND2 3.09Å; A99-N102 PolarHBondContact O-N 2.95Å; N102-S104 PolarHBondContact O-N 3.21Å
103A57.6Low52.6Low78 Ų78109.3 Ų109.365%0.64559%0.59SS**THydrogen-bonded Turntrans-68.8-3.9171.900000114.4A99 V101A99-A103 PolarHBondContact O-N 3.37Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.42Å
104S41.1Very low49.8Very low73 Ų73115.2 Ų115.251%0.5162%0.623SS.*SBendtrans-75.2121.2177.2-52.20000111.4V101 N102 K106V101-S104 WeakPolarHBondContact O-CB 3.45Å; V101-S104 PolarHBondContact O-N 3.46Å; V101-S104 PolarHBondContact O-OG 3.07Å; N102-S104 PolarHBondContact O-N 3.21Å; S104-K106 PolarHBondContact O-N 2.66Å
105P33.6Very low47Very low130 Ų130121.2 Ų121.284%0.84466%0.659SS**  trans-70.1104-17326.3-34.3000112.7K107P105-K107 PolarHBondContact O-N 2.71Å
106K30.5Very low44.4Very low189 Ų189124.2 Ų124.282%0.82268%0.675SS**  trans-67.1110.7171-67.8179.6-178.1174.20110S104 K108S104-K106 PolarHBondContact O-N 2.66Å; K106-K108 PolarHBondContact O-N 3.03Å; K106-K108 VanDerWaalsContact O-N 3.1Å
107K27.2Very low41.6Very low208 Ų208123.8 Ų123.890%0.90469%0.688SS**  trans-63.3109.2174.2-140.2179.3-172.1-176.50108.8P105 V109P105-K107 PolarHBondContact O-N 2.71Å; K107-V109 PolarHBondContact O-N 2.82Å
108K25.5Very low39.1Very low194 Ų194133 Ų13384%0.84373%0.73SS**  trans-63.9129.5178.3-76.9-172176.9-178.90110.1K106K106-K108 PolarHBondContact O-N 3.03Å; K106-K108 VanDerWaalsContact O-N 3.1Å
109V27.9Very low36.6Very low141 Ų141137 Ų13786%0.85575%0.753SS**  trans-73.2130.5160.3177.20000107.6K107K107-V109 PolarHBondContact O-N 2.82Å
110Q26.3Very low34Very low182 Ų182143 Ų14385%0.8577%0.772SS**  trans-114.3119.9161-84-170.7-19.300108.4
111A24.2Very low31.7Very low93 Ų93141.6 Ų141.677%0.76978%0.782SS**  trans-82.6149.9162.600000109.5
112K23.5Very low30.8Very low204 Ų204144.1 Ų144.189%0.88780%0.8SS**  trans-140.8155.6161.1-112.6-178.1176.7-175.80109.6
113L24Very low29.4Very low162 Ų162144.5 Ų144.585%0.84881%0.809SS**  trans-80.4161.8-157.7-83.763.1000114.7
114N25Very low27.9Very low164 Ų164145.2 Ų145.288%0.87781%0.814SS**  trans-86.4137.8162.2-74.9-12.6000112
115T23.9Very low27.3Very low133 Ų133149.2 Ų149.282%0.81683%0.83SS**  trans-161137.9151.520000105.3
116T28Very low27.4Very low137 Ų137148 Ų14884%0.8482%0.822SS**  cis-154.7153.16.6-49.80000106.7
117G23.7Very low27.2Very low63 Ų63143.7 Ų143.765%0.64982%0.816SS**  cis166.9-166.6-2.600000110.4
118Q24.9Very low27.3Very low203 Ų203139.8 Ų139.895%0.94981%0.809SS**  trans65.7161.1178.3-69.8-174.3-19.500118.2
119L23.6Very low27.5Very low166 Ų166138 Ų13887%0.86981%0.809SS**  trans-134.7159.5-166.6-70.2139.7000109.8
120M23.7Very low27.4Very low187 Ų187135.4 Ų135.492%0.92180%0.802SS**  161.1158.3123.7-83.5-161.583.600112.7
121A22.7Very low27.6Very low85 Ų85132.9 Ų132.970%0.70280%0.801SS**  trans-168.6177.917800000108.6
122P48Very low27.8Very low119 Ų119140.4 Ų140.477%0.77381%0.81SS**  cis-117.3-159.3-18.437.9-18.9000111
123P33.1Very low28.1Very low124 Ų124140.3 Ų140.381%0.80581%0.81SS**  -151.9164.180.938.9-17.9000119.3
124A25.1Very low28.3Very low92 Ų92141.4 Ų141.476%0.7681%0.808SS**  trans-5.7130.9165.100000125.1
125D28.5Very low28.5Very low157 Ų157139.4 Ų139.484%0.8481%0.807SS**  50.2160.2117.7-112.421.7000122.7
126P36.8Very low28.7Very low104 Ų104135.7 Ų135.768%0.67580%0.795SS**  cis-137.8174.81143-25.2000119.2
127S25.6Very low28.8Very low100 Ų100135.3 Ų135.370%0.69978%0.782SS**  trans115.2108.513976.70000121.9
128V30.1Very low29Very low125 Ų125139.4 Ų139.476%0.75879%0.794SS**  65.3123128.1-1750000122.2
129N28.2Very low29Very low157 Ų157134.3 Ų134.384%0.8479%0.787SS**  trans65.789.7155.2-67.5-9.9000121.9
130A27.4Very low29.2Very low87 Ų87131.4 Ų131.472%0.71979%0.787SS**  trans-151.9145.8143.100000111.1
131P29.1Very low29.3Very low128 Ų128132.5 Ų132.583%0.83179%0.786SS**PPolyproline II helixtrans-68.4132.3176.927.4-33.6000111.6K133P131-K133 PolarHBondContact O-N 3.27Å
132R29.7Very low29.5Very low251 Ų251133.4 Ų133.495%0.94779%0.794SS**PPolyproline II helixtrans-73.5119.1-172.6-67.1-178.1176.8-178.9-1.6111.9F134R132-F134 PolarHBondContact O-N 2.97Å
133K29.3Very low28.4Very low203 Ų203131.5 Ų131.588%0.88380%0.796SS**PPolyproline II helixtrans-65.7129.1169.6-69.3178.5179.1173.70110.3P131 S135P131-K133 PolarHBondContact O-N 3.27Å; K133-S135 PolarHBondContact O-N 2.94Å
134F28.8Very low27.9Very low184 Ų184131.6 Ų131.681%0.80780%0.8SS**  trans-8098.1176-156.1-90000110.1R132 G136R132-F134 PolarHBondContact O-N 2.97Å; F134-G136 PolarHBondContact O-N 3.46Å; F134-G136 VanDerWaalsContact O-N 3.14Å
135S28.5Very low27.9Very low123 Ų123133.2 Ų133.286%0.8681%0.805SS**  trans-78.494.4-175.755.50000111.9K133K133-S135 PolarHBondContact O-N 2.94Å
136G27.5Very low27.7Very low54 Ų54129.6 Ų129.656%0.55781%0.805SS**  trans-155.310.7-177.600000117.2F134F134-G136 PolarHBondContact O-N 3.46Å; F134-G136 VanDerWaalsContact O-N 3.14Å
137F31.6Very low27Very low130 Ų130130.5 Ų130.557%0.5781%0.814SS**  trans-144.3115.8-179.6-71.8-85.6000112.3V521F137-V521 HydrophobicContact CE1-CG1 4.46Å; F137-V521 HydrophobicContact CE1-CG2 4.25Å
138T26.2Very low26.9Very low149 Ų149130.9 Ų130.991%0.91482%0.817SS**  trans-96.199164.747.40000109.8
139A26.4Very low26.5Very low96 Ų96130.3 Ų130.379%0.79382%0.818SS**PPolyproline II helixtrans-78133.6169.700000110.4K141A139-K141 PolarHBondContact O-N 3.46Å
140A27Very low26.2Very low105 Ų105128.5 Ų128.587%0.86882%0.818SS**PPolyproline II helixtrans-70.1128.417300000110.3
141K26.2Very low26.2Very low209 Ų209130.5 Ų130.591%0.90982%0.824SS**PPolyproline II helixtrans-77.9131.9172.3-75.9-176174.5-178.80110.2A139A139-K141 PolarHBondContact O-N 3.46Å
142A26.5Very low25.8Very low104 Ų104128.3 Ų128.386%0.8682%0.824SS**PPolyproline II helixtrans-73.2134.2159.700000109.6
143G24.6Very low25.6Very low80 Ų80125 Ų12583%0.82582%0.824SS**PPolyproline II helixtrans-86.2159.3172.600000112.1
144S23.3Very low25.2Very low126 Ų126121 Ų12188%0.88182%0.822SS**  trans-135.7113.3178.7-176.60000111.6
145S25.5Very low25Very low125 Ų125116.6 Ų116.687%0.87482%0.819SS**  trans-175141.7165.451.40000107.5
146G24.2Very low24.8Very low82 Ų82116.7 Ų116.785%0.84582%0.82SS**  cis-152.2-171.5-600000110.5
147S21.6Very low24.7Very low123 Ų123120 Ų12086%0.8683%0.831SS**  trans-98.4142.4-165.155.30000116.3
148S22.7Very low24.3Very low108 Ų108118.2 Ų118.276%0.75584%0.841SS**  trans-162.1138.6147.3580000114
149S23.1Very low24.2Very low113 Ų113116.1 Ų116.179%0.7984%0.839SS**  trans50.6112.3156.859.40000121.1
150S21.9Very low24.2Very low118 Ų118121.4 Ų121.483%0.82584%0.844SS**  trans-78.1162.3153.1-48.20000111
151P27Very low24.3Very low130 Ų130120.8 Ų120.884%0.84484%0.839SS**  -147.6170.997.840.1-25.9000115.3
152G20.8Very low24.8Very low81 Ų81113.6 Ų113.684%0.83582%0.824SS**  trans102.6109.9156.300000117.1
153L25.6Very low26Very low182 Ų182111.4 Ų111.495%0.95380%0.803SS**  trans-84.9132.9166.7-76.4155.4000110.7
154S21.5Very low27.9Very low119 Ų119111.1 Ų111.183%0.83279%0.788SS**  trans-172.5154.9145.649.20000113.6
155A22.9Very low30.5Very low91 Ų91105.1 Ų105.175%0.75275%0.746SS**  trans49.7100.1159.600000119.7P157A155-P157 WeakPolarHBondContact O-CD 3.42Å
156S25.3Very low33Very low126 Ų126102.4 Ų102.488%0.88173%0.731SS**PPolyproline II helixtrans-65.4122.9161.5-540000111.9
157P25.4Very low35.7Very low122 Ų12299.4 Ų99.479%0.79270%0.696SS**PPolyproline II helixtrans-77.4126.5171-11.728.8000110.7A155A155-P157 WeakPolarHBondContact O-CD 3.42Å
158A23.4Very low38.5Very low93 Ų9393.7 Ų93.777%0.76966%0.655SS**PPolyproline II helixtrans-64.416017100000111.6K160A158-K160 PolarHBondContact O-N 3.37Å; A158-K160 VanDerWaalsContact O-N 3.12Å
159A24.2Very low41.3Very low106 Ų10692.5 Ų92.588%0.87664%0.644SS**PPolyproline II helixtrans-55.3116.6-175.500000112.3A161A159-A161 PolarHBondContact O-N 2.83Å
160K25.3Very low44.2Very low206 Ų20694.5 Ų94.590%0.89664%0.641SS**PPolyproline II helixtrans-62.8123.2177.7-76.7-172.8174.5-178.70110.6A158A158-K160 PolarHBondContact O-N 3.37Å; A158-K160 VanDerWaalsContact O-N 3.12Å
161A28.5Very low47Very low93 Ų9392.5 Ų92.577%0.76962%0.62SS**PPolyproline II helixtrans-76.2135.617600000111.5A159A159-A161 PolarHBondContact O-N 2.83Å
162G37.2Very low49.9Very low57 Ų5787.5 Ų87.559%0.58859%0.588SS**SBendtrans73.5112.8166.500000115.7S164G162-S164 PolarHBondContact O-N 2.93Å
163S53.1Low53.1Low59 Ų5987 Ų8741%0.41357%0.567SS.*  trans-7287.1171.4-169.80000111Y222 N364S163-Y222 PolarHBondContact O-OH 3.45Å; S163-N364 WeakPolarHBondContact CB-OD1 3.28Å; S163-N364 PolarHBondContact OG-ND2 3.41Å; S163-N364 PolarHBondContact OG-OD1 3.09Å
164S64.2Low55.8Low74 Ų7480.9 Ų80.952%0.51754%0.542SS..  trans-69.6164.3166.153.40000111.7G162G162-S164 PolarHBondContact O-N 2.93Å
165S76.8Confident58.8Low0 Ų083.7 Ų83.70%054%0.542CS..  trans-103113.6165.5175.30000108.6L167 S168 T169 E370S165-L167 VanDerWaalsContact C-N 3.31Å; S165-L167 PolarHBondContact O-N 3.34Å; S165-S168 WeakPolarHBondContact O-CB 3.5Å; S165-S168 PolarHBondContact O-N 2.82Å; S165-S168 PolarHBondContact OG-N 3.11Å; S165-T169 PolarHBondContact O-N 3.16Å; S165-E370 WeakPolarHBondContact OG-CB 3.5Å
166A78.2Confident62.1Low68 Ų6881.5 Ų81.556%0.56252%0.516SS*.Hα-helixtrans-65.6-38.1-176.200000111.5S168 T169 Q170 E370A166-S168 VanDerWaalsContact C-N 3.32Å; A166-S168 PolarHBondContact O-N 3.27Å; A166-T169 PolarHBondContact O-N 3.33Å; A166-Q170 WeakPolarHBondContact O-CB 3.42Å; A166-Q170 PolarHBondContact O-N 3.43Å; A166-E370 PolarHBondContact N-OE2 3.36Å
167L80.1Confident65.3Low19 Ų1982 Ų8210%0.09950%0.502CS..Hα-helixtrans-62.8-34.4174.6-90.8161.4000113.1S165 Q170 L171 E370 L373 R374S165-L167 VanDerWaalsContact C-N 3.31Å; S165-L167 PolarHBondContact O-N 3.34Å; L167-Q170 PolarHBondContact O-N 2.95Å; L167-L171 WeakPolarHBondContact O-CB 3.31Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.48Å; L167-L171 PolarHBondContact O-N 2.95Å; L167-E370 HydrophobicContact CB-CG 4.29Å; L167-E370 HydrophobicContact CD1-CG 3.84Å; L167-L373 HydrophobicContact CB-CD1 4.23Å; L167-R374 HydrophobicContact CD1-CG 3.52Å
168S81.9Confident68.4Low2 Ų276.3 Ų76.31%0.01447%0.465CS..Hα-helixtrans-63.8-46176.9-170.70000111.6S165 A166 L171 C172 D220 L221 Y222S165-S168 WeakPolarHBondContact O-CB 3.5Å; S165-S168 PolarHBondContact O-N 2.82Å; S165-S168 PolarHBondContact OG-N 3.11Å; A166-S168 VanDerWaalsContact C-N 3.32Å; A166-S168 PolarHBondContact O-N 3.27Å; S168-L171 PolarHBondContact O-N 2.87Å; S168-C172 WeakPolarHBondContact O-CB 3.34Å; S168-C172 PolarHBondContact O-N 3.04Å; S168-D220 PolarHBondContact OG-OD1 3.23Å; S168-L221 PolarHBondContact OG-N 3.33Å; S168-L221 VanDerWaalsContact OG-N 3.12Å; S168-Y222 WeakPolarHBondContact OG-CB 3.41Å; S168-Y222 PolarHBondContact OG-N 3.14Å
169T81.5Confident71.8Confident84 Ų8471.9 Ų71.952%0.51543%0.429SS..Hα-helixtrans-72.2-30.7178.2-53.20000112S165 A166 C172 D220S165-T169 PolarHBondContact O-N 3.16Å; A166-T169 PolarHBondContact O-N 3.33Å; T169-C172 PolarHBondContact O-N 3.45Å; T169-D220 WeakPolarHBondContact CA-OD2 3.34Å; T169-D220 PolarHBondContact OG1-OD2 2.91Å
170Q82.5Confident75.2Confident154 Ų15469.2 Ų69.272%0.7240%0.4SS*.Hα-helixtrans-68.9-31173.8-173.2-178.6200113.3A166 L167A166-Q170 WeakPolarHBondContact O-CB 3.42Å; A166-Q170 PolarHBondContact O-N 3.43Å; L167-Q170 PolarHBondContact O-N 2.95Å
171L81.9Confident78.6Confident76 Ų7659.4 Ų59.440%0.39836%0.357SS..THydrogen-bonded Turntrans-89.2-3.4179.1-68169.8000113.6L167 S168 L373L167-L171 WeakPolarHBondContact O-CB 3.31Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.48Å; L167-L171 PolarHBondContact O-N 2.95Å; S168-L171 PolarHBondContact O-N 2.87Å; L171-L373 HydrophobicContact CD1-CD1 4.4Å; L171-L373 HydrophobicContact CD1-CD2 3.95Å
172C88.1Confident81.8Confident25 Ų2561.3 Ų61.317%0.16934%0.344CS..  trans-87128-177.31760000111.9S168 T169 A174 C179 H218 D220S168-C172 WeakPolarHBondContact O-CB 3.34Å; S168-C172 PolarHBondContact O-N 3.04Å; T169-C172 PolarHBondContact O-N 3.45Å; C172-A174 PolarHBondContact O-N 2.61Å; C172-C179 PolarHBondContact SG-SG 2.91Å; C172-H218 WeakPolarHBondContact CA-O 3.33Å; C172-D220 HydrophobicContact CB-CB 4.01Å; C172-D220 PolarHBondContact SG-N 3.28Å; C172-D220 VanDerWaalsContact SG-N 3.37Å
173D87.9Confident84.6Confident72 Ų7259.7 Ų59.739%0.38532%0.321SS..  trans-85.6105157.8178-1.1000108.9Q175 H176 C179 H218D173-Q175 PolarHBondContact O-N 3.28Å; D173-Q175 PolarHBondContact OD1-N 2.88Å; D173-H176 HydrophobicContact CB-CB 3.87Å; D173-H176 PolarHBondContact O-N 3.44Å; D173-H176 VanDerWaalsContact O-N 3.13Å; D173-H176 PolarHBondContact OD1-N 3.47Å; D173-C179 PolarHBondContact O-SG 3.37Å; D173-H218 HydrophobicContact CB-CB 4.43Å; D173-H218 PolarHBondContact N-O 2.92Å
174A81.5Confident86.7Confident53 Ų5357 Ų5744%0.43830%0.302SS..THydrogen-bonded Turntrans-65-18-179.300000114C172C172-A174 PolarHBondContact O-N 2.61Å
175Q85Confident88.2Confident177 Ų17755.4 Ų55.483%0.82729%0.285SS*.THydrogen-bonded Turntrans-96-8176.5-58.1-61.5-22.800112.6D173D173-Q175 PolarHBondContact O-N 3.28Å; D173-Q175 PolarHBondContact OD1-N 2.88Å
176H92.8Very high89.1Confident46 Ų4659.9 Ų59.921%0.21330%0.304CS..SBendtrans-70.7150.7179.1-166.8-110.4000112.5D173 D178 C179 H218D173-H176 HydrophobicContact CB-CB 3.87Å; D173-H176 PolarHBondContact O-N 3.44Å; D173-H176 VanDerWaalsContact O-N 3.13Å; D173-H176 PolarHBondContact OD1-N 3.47Å; H176-D178 IonicContact CE1-OD1 3.57Å; H176-D178 PolarHBondContact CE1-OD1 2.71Å; H176-D178 IonicContact CE1-OD2 2.79Å; H176-D178 PolarHBondContact ND1-N 3.21Å; H176-D178 IonicContact ND1-OD1 3.21Å; H176-D178 PolarHBondContact ND1-OD1 2.78Å; H176-D178 IonicContact ND1-OD2 2.83Å; H176-D178 PolarHBondContact ND1-OD2 3.16Å; H176-D178 PolarHBondContact O-N 3.36Å; H176-D178 VanDerWaalsContact O-N 3.09Å; H176-C179 WeakPolarHBondContact O-CB 3.32Å; H176-C179 PolarHBondContact O-N 3Å; H176-H218 HydrophobicContact CB-CB 3.97Å
177K91.4Very high90Very high136 Ų13656.9 Ų56.959%0.59128%0.279SS*.G310 helixtrans-58.2-27.2-178.1-67.5170-173.7163.10113.3C179 L180 E183K177-C179 PolarHBondContact O-N 2.66Å; K177-L180 HydrophobicContact CB-CD1 4.36Å; K177-L180 HydrophobicContact CG-CD1 4.4Å; K177-L180 WeakPolarHBondContact O-CB 3.35Å; K177-L180 PolarHBondContact O-N 2.64Å; K177-E183 WeakPolarHBondContact O-CG 3.4Å
178D92Very high90.8Very high2 Ų256.5 Ų56.51%0.01128%0.278CS..G310 helixtrans-61.7-26.1176-64.1-8.9000113H176 L180 T212 F217 H218H176-D178 IonicContact CE1-OD1 3.57Å; H176-D178 PolarHBondContact CE1-OD1 2.71Å; H176-D178 IonicContact CE1-OD2 2.79Å; H176-D178 PolarHBondContact ND1-N 3.21Å; H176-D178 IonicContact ND1-OD1 3.21Å; H176-D178 PolarHBondContact ND1-OD1 2.78Å; H176-D178 IonicContact ND1-OD2 2.83Å; H176-D178 PolarHBondContact ND1-OD2 3.16Å; H176-D178 PolarHBondContact O-N 3.36Å; H176-D178 VanDerWaalsContact O-N 3.09Å; D178-L180 VanDerWaalsContact C-N 3.32Å; D178-T212 WeakPolarHBondContact OD1-CB 3.29Å; D178-T212 WeakPolarHBondContact OD1-CG2 3.47Å; D178-T212 PolarHBondContact OD1-N 3.02Å; D178-T212 PolarHBondContact OD1-OG1 3.07Å; D178-F217 HydrophobicContact CB-CD2 4.11Å; D178-F217 HydrophobicContact CB-CE2 3.83Å; D178-H218 PolarHBondContact OD2-N 3.49Å
179C93.4Very high91.4Very high1 Ų158.2 Ų58.21%0.00729%0.292CS..G310 helixtrans-80.7-7.7175.2-69.90000113.5C172 D173 H176 K177 T291 I292 Q293C172-C179 PolarHBondContact SG-SG 2.91Å; D173-C179 PolarHBondContact O-SG 3.37Å; H176-C179 WeakPolarHBondContact O-CB 3.32Å; H176-C179 PolarHBondContact O-N 3Å; K177-C179 PolarHBondContact O-N 2.66Å; C179-T291 CarbonylContact O-C 3.58Å; C179-T291 VanDerWaalsContact O-CA 3.29Å; C179-T291 WeakPolarHBondContact O-CA 3.49Å; C179-I292 PolarHBondContact O-N 2.7Å; C179-Q293 PolarHBondContact SG-NE2 3.4Å; C179-Q293 VanDerWaalsContact SG-NE2 3.38Å
180L96.2Very high92.1Very high50 Ų5058.8 Ų58.826%0.26229%0.29SS..BIsolated β-bridgetrans-75.9131.5179.6-63.5172.9000111.3K177 D178 R182 E183 F184K177-L180 HydrophobicContact CB-CD1 4.36Å; K177-L180 HydrophobicContact CG-CD1 4.4Å; K177-L180 WeakPolarHBondContact O-CB 3.35Å; K177-L180 PolarHBondContact O-N 2.64Å; D178-L180 VanDerWaalsContact C-N 3.32Å; L180-R182 HydrophobicContact CB-CB 4.42Å; L180-R182 PolarHBondContact O-N 3.21Å; L180-R182 VanDerWaalsContact O-N 3.09Å; L180-E183 HydrophobicContact CB-CG 4.29Å; L180-E183 PolarHBondContact O-N 3.3Å; L180-F184 PolarHBondContact O-N 2.87Å
181F96.5Very high92.8Very high0 Ų051.5 Ų51.50%026%0.256CS..Hα-helixtrans-61.6-22177.4-169.2-118.5000112.9E183 F184 R185 L290 I292 V295 D326 C329 I330 L333F181-E183 VanDerWaalsContact C-N 3.34Å; F181-E183 PolarHBondContact O-N 3.16Å; F181-F184 HydrophobicContact CD2-CB 4.33Å; F181-F184 AromaticContact CD2-CD1 3.73Å; F181-F184 HydrophobicContact CD2-CD1 3.73Å; F181-F184 HydrophobicContact CD2-CE1 4.49Å; F181-F184 HydrophobicContact CD2-CG 4.29Å; F181-F184 AromaticContact CE2-CD1 3.46Å; F181-F184 HydrophobicContact CE2-CD1 3.46Å; F181-F184 VanDerWaalsContact CE2-CD1 3.46Å; F181-F184 AromaticContact CE2-CE1 3.82Å; F181-F184 HydrophobicContact CE2-CE1 3.82Å; F181-F184 HydrophobicContact CE2-CG 4.41Å; F181-F184 HydrophobicContact CZ-CD1 4.36Å; F181-R185 WeakPolarHBondContact O-CB 3.37Å; F181-R185 PolarHBondContact O-N 2.89Å; F181-R185 PolarHBondContact O-NH1 2.88Å; F181-L290 HydrophobicContact CB-CB 4.16Å; F181-L290 VanDerWaalsContact CB-O 3.24Å; F181-L290 WeakPolarHBondContact CB-O 3.46Å; F181-L290 PolarHBondContact N-O 3.39Å; F181-I292 HydrophobicContact CD2-CG2 4.39Å; F181-V295 HydrophobicContact CB-CG2 4.39Å; F181-V295 HydrophobicContact CD1-CG2 4.16Å; F181-V295 HydrophobicContact CD2-CB 4.39Å; F181-V295 HydrophobicContact CD2-CG1 4.4Å; F181-V295 HydrophobicContact CD2-CG2 3.95Å; F181-V295 HydrophobicContact CE1-CG2 4.43Å; F181-V295 HydrophobicContact CE2-CB 4.48Å; F181-V295 HydrophobicContact CE2-CG1 4Å; F181-V295 HydrophobicContact CE2-CG2 4.23Å; F181-V295 HydrophobicContact CG-CG2 3.92Å; F181-V295 HydrophobicContact CZ-CG1 4.33Å; F181-V295 HydrophobicContact CZ-CG2 4.46Å; F181-D326 HydrophobicContact CD1-CB 4.08Å; F181-D326 WeakPolarHBondContact CD1-OD1 3.25Å; F181-D326 HydrophobicContact CE1-CB 4.12Å; F181-D326 WeakPolarHBondContact CE1-O 3.44Å; F181-C329 HydrophobicContact CE1-CB 3.84Å; F181-C329 HydrophobicContact CZ-CB 3.64Å; F181-C329 VanDerWaalsContact CZ-SG 3.55Å; F181-I330 HydrophobicContact CE1-CD1 4.11Å; F181-I330 HydrophobicContact CE1-CG1 3.67Å; F181-I330 HydrophobicContact CZ-CG1 3.7Å; F181-L333 HydrophobicContact CE2-CD1 3.87Å; F181-L333 HydrophobicContact CZ-CD1 4Å
182R96.4Very high93.3Very high133 Ų13349.7 Ų49.750%0.50225%0.252SS..Hα-helixtrans-55.6-44.8167.4-170.7-175.7-177.3-168.70.5112.8L180 R185 K186 S288L180-R182 HydrophobicContact CB-CB 4.42Å; L180-R182 PolarHBondContact O-N 3.21Å; L180-R182 VanDerWaalsContact O-N 3.09Å; R182-R185 PolarHBondContact O-N 2.86Å; R182-K186 PolarHBondContact O-N 3.05Å; R182-S288 WeakPolarHBondContact CB-OG 3.31Å
183E95.9Very high93.6Very high23 Ų2355.3 Ų55.311%0.10728%0.276CS..Hα-helixtrans-81.9-36.9-174.2-53.8-56.7126.500110.5K177 L180 F181 R185 K186 L187 F207 T212K177-E183 WeakPolarHBondContact O-CG 3.4Å; L180-E183 HydrophobicContact CB-CG 4.29Å; L180-E183 PolarHBondContact O-N 3.3Å; F181-E183 VanDerWaalsContact C-N 3.34Å; F181-E183 PolarHBondContact O-N 3.16Å; E183-R185 VanDerWaalsContact C-N 3.3Å; E183-R185 PolarHBondContact O-N 2.85Å; E183-K186 WeakPolarHBondContact O-CB 3.34Å; E183-K186 PolarHBondContact O-N 3.24Å; E183-K186 WeakPolarHBondContact OE1-CD 3.41Å; E183-K186 IonicContact OE1-NZ 3.56Å; E183-K186 PolarHBondContact OE1-NZ 3.18Å; E183-K186 WeakPolarHBondContact OE2-CD 3.39Å; E183-K186 WeakPolarHBondContact OE2-CE 3.28Å; E183-K186 IonicContact OE2-NZ 3.72Å; E183-K186 PolarHBondContact OE2-NZ 2.83Å; E183-L187 PolarHBondContact O-N 3.36Å; E183-F207 HydrophobicContact CB-CE2 4.48Å; E183-T212 HydrophobicContact CB-CG2 4Å; E183-T212 HydrophobicContact CG-CG2 3.93Å
184F96.8Very high93.8Very high2 Ų254.5 Ų54.51%0.00927%0.271CS..Hα-helixtrans-54.1-44.3164.8174.7-94.1000112.3L180 F181 L187 C188 T224 L227 L228 I292 L333 L338L180-F184 PolarHBondContact O-N 2.87Å; F181-F184 HydrophobicContact CD2-CB 4.33Å; F181-F184 AromaticContact CD2-CD1 3.73Å; F181-F184 HydrophobicContact CD2-CD1 3.73Å; F181-F184 HydrophobicContact CD2-CE1 4.49Å; F181-F184 HydrophobicContact CD2-CG 4.29Å; F181-F184 AromaticContact CE2-CD1 3.46Å; F181-F184 HydrophobicContact CE2-CD1 3.46Å; F181-F184 VanDerWaalsContact CE2-CD1 3.46Å; F181-F184 AromaticContact CE2-CE1 3.82Å; F181-F184 HydrophobicContact CE2-CE1 3.82Å; F181-F184 HydrophobicContact CE2-CG 4.41Å; F181-F184 HydrophobicContact CZ-CD1 4.36Å; F184-L187 WeakPolarHBondContact O-CB 3.3Å; F184-L187 PolarHBondContact O-N 2.92Å; F184-C188 VanDerWaalsContact CE1-SG 3.54Å; F184-C188 PolarHBondContact O-N 2.78Å; F184-C188 PolarHBondContact O-SG 2.92Å; F184-T224 HydrophobicContact CD2-CG2 4.46Å; F184-L227 HydrophobicContact CD2-CB 4.32Å; F184-L227 HydrophobicContact CE1-CB 4.48Å; F184-L227 HydrophobicContact CE2-CB 3.49Å; F184-L227 VanDerWaalsContact CE2-CB 3.49Å; F184-L227 HydrophobicContact CZ-CB 3.61Å; F184-L227 WeakPolarHBondContact CZ-O 3.4Å; F184-L228 HydrophobicContact CE2-CD2 3.9Å; F184-L228 HydrophobicContact CE2-CG 3.93Å; F184-L228 HydrophobicContact CZ-CD2 4.38Å; F184-I292 HydrophobicContact CB-CG2 3.97Å; F184-I292 HydrophobicContact CG-CG2 4.39Å; F184-L333 HydrophobicContact CZ-CD2 4.4Å; F184-L338 HydrophobicContact CZ-CD1 4.14Å
185R96.2Very high94.2Very high41 Ų4159.3 Ų59.316%0.15529%0.29CS..Hα-helixtrans-66.8-41.2176.5172.7171.963.2-9818.8113.2F181 R182 E183 L187 C188 A189 S288 N325 D326F181-R185 WeakPolarHBondContact O-CB 3.37Å; F181-R185 PolarHBondContact O-N 2.89Å; F181-R185 PolarHBondContact O-NH1 2.88Å; R182-R185 PolarHBondContact O-N 2.86Å; E183-R185 VanDerWaalsContact C-N 3.3Å; E183-R185 PolarHBondContact O-N 2.85Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 2.85Å; R185-C188 WeakPolarHBondContact O-CB 3.39Å; R185-C188 PolarHBondContact O-N 3.47Å; R185-A189 PolarHBondContact O-N 3.2Å; R185-S288 PolarHBondContact NH2-OG 3.04Å; R185-S288 VanDerWaalsContact NH2-OG 3.17Å; R185-N325 WeakPolarHBondContact CD-O 3.47Å; R185-D326 IonicContact CZ-OD1 3.47Å; R185-D326 VanDerWaalsContact CZ-OD1 3.24Å; R185-D326 IonicContact NH1-OD1 2.71Å; R185-D326 PolarHBondContact NH1-OD1 2.9Å; R185-D326 IonicContact NH2-OD1 3.42Å; R185-D326 PolarHBondContact NH2-OD1 3.38Å; R185-D326 IonicContact NH2-OD2 2.78Å
186K95.8Very high94.7Very high94 Ų9453.3 Ų53.341%0.40927%0.267SS..Hα-helixtrans-56.8-46.3173.1-80.7159.6151.7-179.70110.8R182 E183 C188 A189 M190R182-K186 PolarHBondContact O-N 3.05Å; E183-K186 WeakPolarHBondContact O-CB 3.34Å; E183-K186 PolarHBondContact O-N 3.24Å; E183-K186 WeakPolarHBondContact OE1-CD 3.41Å; E183-K186 IonicContact OE1-NZ 3.56Å; E183-K186 PolarHBondContact OE1-NZ 3.18Å; E183-K186 WeakPolarHBondContact OE2-CD 3.39Å; E183-K186 WeakPolarHBondContact OE2-CE 3.28Å; E183-K186 IonicContact OE2-NZ 3.72Å; E183-K186 PolarHBondContact OE2-NZ 2.83Å; K186-C188 VanDerWaalsContact C-N 3.34Å; K186-C188 PolarHBondContact O-N 3.2Å; K186-A189 PolarHBondContact O-N 3.3Å; K186-M190 WeakPolarHBondContact O-CG 3.42Å; K186-M190 PolarHBondContact O-N 2.68Å
187L96.3Very high94.7Very high4 Ų457.3 Ų57.32%0.02128%0.281CS..Hα-helixtrans-57.4-46.9174.5177.563.1000111.3E183 F184 R185 A189 M190 V191 I203 I204 F207 L228E183-L187 PolarHBondContact O-N 3.36Å; F184-L187 WeakPolarHBondContact O-CB 3.3Å; F184-L187 PolarHBondContact O-N 2.92Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 2.85Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.05Å; L187-M190 PolarHBondContact O-N 3.49Å; L187-V191 HydrophobicContact CD1-CG2 4.08Å; L187-V191 WeakPolarHBondContact O-CB 3.46Å; L187-V191 VanDerWaalsContact O-CG2 3.23Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 2.92Å; L187-I203 HydrophobicContact CD1-CG2 3.79Å; L187-I204 HydrophobicContact CD1-CG1 4.24Å; L187-F207 HydrophobicContact CD1-CB 3.99Å; L187-F207 HydrophobicContact CD1-CG 4.26Å; L187-F207 HydrophobicContact CD2-CB 4.38Å; L187-F207 HydrophobicContact CD2-CD1 3.66Å; L187-F207 HydrophobicContact CD2-CE1 4.05Å; L187-F207 HydrophobicContact CD2-CG 4Å; L187-L228 HydrophobicContact CD2-CD1 4Å; L187-L228 HydrophobicContact CD2-CD2 4.12Å; L187-L228 HydrophobicContact CG-CD2 4.47Å
188C96.7Very high94.8Very high12 Ų1256.7 Ų56.78%0.08128%0.284CS..Hα-helixtrans-59-40.4176.3-660000113.1F184 R185 K186 A192 M340F184-C188 VanDerWaalsContact CE1-SG 3.54Å; F184-C188 PolarHBondContact O-N 2.78Å; F184-C188 PolarHBondContact O-SG 2.92Å; R185-C188 WeakPolarHBondContact O-CB 3.39Å; R185-C188 PolarHBondContact O-N 3.47Å; K186-C188 VanDerWaalsContact C-N 3.34Å; K186-C188 PolarHBondContact O-N 3.2Å; C188-A192 WeakPolarHBondContact O-CB 3.41Å; C188-A192 PolarHBondContact O-N 2.88Å; C188-M340 HydrophobicContact CB-CE 3.75Å; C188-M340 WeakPolarHBondContact SG-CE 3.22Å
189A95.5Very high95Very high38 Ų3858.2 Ų58.231%0.31430%0.296SS..Hα-helixtrans-67-52.1177.900000111.7R185 K186 L187 V191 A192 E193R185-A189 PolarHBondContact O-N 3.2Å; K186-A189 PolarHBondContact O-N 3.3Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.05Å; A189-V191 PolarHBondContact O-N 3.33Å; A189-A192 WeakPolarHBondContact O-CA 3.26Å; A189-A192 WeakPolarHBondContact O-CB 3.45Å; A189-A192 PolarHBondContact O-N 2.87Å; A189-E193 VanDerWaalsContact O-CG 3.31Å; A189-E193 WeakPolarHBondContact O-CG 3.07Å; A189-E193 PolarHBondContact O-N 3.06Å
190M95.4Very high95.1Very high96 Ų9658.4 Ų58.447%0.47330%0.296SS..Hα-helixtrans-57-38.1177.6-67.5173.168.200112.4K186 L187 N194 I203K186-M190 WeakPolarHBondContact O-CG 3.42Å; K186-M190 PolarHBondContact O-N 2.68Å; L187-M190 PolarHBondContact O-N 3.49Å; M190-N194 PolarHBondContact O-ND2 3.06Å; M190-I203 HydrophobicContact CB-CG2 4.04Å; M190-I203 HydrophobicContact CE-CG2 4.28Å
191V96.3Very high95.1Very high0 Ų056.8 Ų56.80%029%0.289CS..Hα-helixtrans-71.2-36.3175.2174.60000111.4L187 A189 K200 I203 I204 M340 A342L187-V191 HydrophobicContact CD1-CG2 4.08Å; L187-V191 WeakPolarHBondContact O-CB 3.46Å; L187-V191 VanDerWaalsContact O-CG2 3.23Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 2.92Å; A189-V191 PolarHBondContact O-N 3.33Å; V191-K200 HydrophobicContact CG1-CB 3.96Å; V191-K200 HydrophobicContact CG1-CD 4Å; V191-K200 HydrophobicContact CG1-CG 3.88Å; V191-K200 WeakPolarHBondContact O-CG 3.29Å; V191-K200 PolarHBondContact O-NZ 3.17Å; V191-I203 HydrophobicContact CG2-CB 4.34Å; V191-I203 HydrophobicContact CG2-CG2 3.81Å; V191-I204 HydrophobicContact CG1-CD1 4.47Å; V191-I204 HydrophobicContact CG2-CD1 4.12Å; V191-I204 HydrophobicContact CG2-CG1 3.7Å; V191-M340 HydrophobicContact CB-CB 4.49Å; V191-M340 HydrophobicContact CB-SD 4.21Å; V191-M340 HydrophobicContact CG1-CB 4.06Å; V191-M340 HydrophobicContact CG1-CG 4.14Å; V191-M340 HydrophobicContact CG1-SD 3.59Å; V191-M340 VanDerWaalsContact CG1-SD 3.59Å; V191-A342 HydrophobicContact CG1-CB 3.91Å
192A94.1Very high95.1Very high38 Ų3862.3 Ų62.331%0.31431%0.314SS..Hα-helixtrans-68.8-44.4177.100000113C188 A189 N194 M340C188-A192 WeakPolarHBondContact O-CB 3.41Å; C188-A192 PolarHBondContact O-N 2.88Å; A189-A192 WeakPolarHBondContact O-CA 3.26Å; A189-A192 WeakPolarHBondContact O-CB 3.45Å; A189-A192 PolarHBondContact O-N 2.87Å; A192-N194 PolarHBondContact O-N 3.1Å; A192-M340 HydrophobicContact CB-CB 4.04Å
193E94Very high95.1Very high143 Ų14357.4 Ų57.467%0.66830%0.298SS*.Hα-helixtrans-62.7-25-178.9-71.2156.8-160.500113.5A189A189-E193 VanDerWaalsContact O-CG 3.31Å; A189-E193 WeakPolarHBondContact O-CG 3.07Å; A189-E193 PolarHBondContact O-N 3.06Å
194N92.2Very high95.1Very high55 Ų5556.3 Ų56.329%0.29429%0.293SS..  trans-85.1133.4179.5-87.2-96.5000112.1M190 A192 K200 I203M190-N194 PolarHBondContact O-ND2 3.06Å; A192-N194 PolarHBondContact O-N 3.1Å; N194-K200 HydrophobicContact CB-CG 4.23Å; N194-K200 WeakPolarHBondContact O-CE 3.47Å; N194-K200 PolarHBondContact O-NZ 2.84Å; N194-I203 HydrophobicContact CB-CD1 4.35Å; N194-I203 VanDerWaalsContact ND2-CD1 3.35Å; N194-I203 WeakPolarHBondContact ND2-CD1 3.45Å
195N90.4Very high95Very high154 Ų15459.4 Ų59.482%0.82431%0.307SS*.  trans-87.4-21.4174.7-73.1-41.7000114
196S94.5Very high95Very high51 Ų5164.2 Ų64.236%0.35733%0.329SS..  trans-85.2117.8-177.1163.20000111.9N198 S199 K200S196-N198 VanDerWaalsContact C-N 3.27Å; S196-N198 PolarHBondContact O-N 2.81Å; S196-S199 VanDerWaalsContact CB-OG 3.26Å; S196-S199 WeakPolarHBondContact CB-OG 3.38Å; S196-S199 WeakPolarHBondContact O-CB 3.23Å; S196-S199 PolarHBondContact O-N 2.85Å; S196-S199 VanDerWaalsContact O-N 3.07Å; S196-S199 PolarHBondContact OG-N 2.89Å; S196-S199 PolarHBondContact OG-OG 2.87Å; S196-K200 WeakPolarHBondContact O-CG 3.36Å; S196-K200 PolarHBondContact O-N 3.2Å
197Y92.8Very high95Very high130 Ų13060.8 Ų60.851%0.5131%0.314SS..Hα-helixtrans-56.7-38.7175.8-64.7-58.8000113.1S199 K200 T201 N341 H346Y197-S199 VanDerWaalsContact C-N 3.31Å; Y197-S199 PolarHBondContact O-N 2.78Å; Y197-K200 HydrophobicContact CD1-CD 4.32Å; Y197-K200 WeakPolarHBondContact O-CB 3.37Å; Y197-K200 PolarHBondContact O-N 3.5Å; Y197-T201 PolarHBondContact O-N 3.5Å; Y197-T201 PolarHBondContact O-OG1 2.93Å; Y197-T201 VanDerWaalsContact O-OG1 3.05Å; Y197-N341 WeakPolarHBondContact CE1-O 3.33Å; Y197-H346 AromaticContact CD1-CE1 3.16Å; Y197-H346 WeakPolarHBondContact CD1-CE1 3.33Å; Y197-H346 AromaticContact CD1-ND1 3.49Å; Y197-H346 WeakPolarHBondContact CD1-ND1 3.23Å; Y197-H346 AromaticContact CD1-NE2 3.83Å; Y197-H346 AromaticContact CE1-CE1 3.58Å; Y197-H346 AromaticContact CG-CE1 3.66Å; Y197-H346 AromaticContact CG-NE2 3.86Å
198N93.9Very high94.9Very high123 Ų12361.5 Ų61.566%0.65832%0.318SS*.Hα-helixtrans-64.1-39.7177-64.86.1000111.1S196 T201 Q202S196-N198 VanDerWaalsContact C-N 3.27Å; S196-N198 PolarHBondContact O-N 2.81Å; N198-T201 PolarHBondContact O-N 2.86Å; N198-Q202 VanDerWaalsContact O-CG 3.27Å; N198-Q202 WeakPolarHBondContact O-CG 3.47Å; N198-Q202 PolarHBondContact O-N 3.41Å
199S95.2Very high94.6Very high35 Ų3566.2 Ų66.225%0.24534%0.337CS..Hα-helixtrans-69.8-36.6178.3-53.10000111.5S196 Y197 Q202 I203S196-S199 VanDerWaalsContact CB-OG 3.26Å; S196-S199 WeakPolarHBondContact CB-OG 3.38Å; S196-S199 WeakPolarHBondContact O-CB 3.23Å; S196-S199 PolarHBondContact O-N 2.85Å; S196-S199 VanDerWaalsContact O-N 3.07Å; S196-S199 PolarHBondContact OG-N 2.89Å; S196-S199 PolarHBondContact OG-OG 2.87Å; Y197-S199 VanDerWaalsContact C-N 3.31Å; Y197-S199 PolarHBondContact O-N 2.78Å; S199-Q202 PolarHBondContact O-N 3.49Å; S199-I203 WeakPolarHBondContact O-CD1 3.35Å; S199-I203 VanDerWaalsContact O-CG1 3.26Å; S199-I203 WeakPolarHBondContact O-CG1 3.22Å; S199-I203 PolarHBondContact O-N 2.64Å
200K96.4Very high94.4Very high4 Ų469 Ų692%0.01734%0.342CS..Hα-helixtrans-58.7-50170.2-67.2-179.1-162.7-89.20111.4V191 N194 S196 Y197 Q202 I203 I204 M340 N341 A342V191-K200 HydrophobicContact CG1-CB 3.96Å; V191-K200 HydrophobicContact CG1-CD 4Å; V191-K200 HydrophobicContact CG1-CG 3.88Å; V191-K200 WeakPolarHBondContact O-CG 3.29Å; V191-K200 PolarHBondContact O-NZ 3.17Å; N194-K200 HydrophobicContact CB-CG 4.23Å; N194-K200 WeakPolarHBondContact O-CE 3.47Å; N194-K200 PolarHBondContact O-NZ 2.84Å; S196-K200 WeakPolarHBondContact O-CG 3.36Å; S196-K200 PolarHBondContact O-N 3.2Å; Y197-K200 HydrophobicContact CD1-CD 4.32Å; Y197-K200 WeakPolarHBondContact O-CB 3.37Å; Y197-K200 PolarHBondContact O-N 3.5Å; K200-Q202 VanDerWaalsContact C-N 3.33Å; K200-Q202 PolarHBondContact O-N 3.41Å; K200-I203 PolarHBondContact O-N 3.24Å; K200-I204 WeakPolarHBondContact O-CG1 3.49Å; K200-I204 PolarHBondContact O-N 3.1Å; K200-I204 VanDerWaalsContact O-N 3.12Å; K200-M340 PolarHBondContact NZ-O 2.97Å; K200-N341 WeakPolarHBondContact CD-O 3.35Å; K200-N341 WeakPolarHBondContact CE-O 3.43Å; K200-A342 HydrophobicContact CD-CB 4.15Å
201T96.1Very high94.2Very high17 Ų1765 Ų6510%0.10433%0.325CS..Hα-helixtrans-56.9-46.7176.2-53.50000110.9Y197 N198 I203 I204 E205 H346 D349 A350Y197-T201 PolarHBondContact O-N 3.5Å; Y197-T201 PolarHBondContact O-OG1 2.93Å; Y197-T201 VanDerWaalsContact O-OG1 3.05Å; N198-T201 PolarHBondContact O-N 2.86Å; T201-I203 PolarHBondContact O-N 2.82Å; T201-I204 PolarHBondContact O-N 3.42Å; T201-E205 VanDerWaalsContact O-CB 3.26Å; T201-E205 WeakPolarHBondContact O-CB 3.22Å; T201-E205 PolarHBondContact O-N 3.47Å; T201-H346 PolarHBondContact OG1-O 2.92Å; T201-D349 HydrophobicContact CG2-CB 3.86Å; T201-A350 HydrophobicContact CG2-CB 3.85Å; T201-A350 WeakPolarHBondContact O-CB 3.07Å
202Q95.9Very high93.8Very high116 Ų11667.4 Ų67.454%0.54234%0.34SS..Hα-helixtrans-64.4-34.5178.5-73.3168.7-16.200114N198 S199 K200 K206N198-Q202 VanDerWaalsContact O-CG 3.27Å; N198-Q202 WeakPolarHBondContact O-CG 3.47Å; N198-Q202 PolarHBondContact O-N 3.41Å; S199-Q202 PolarHBondContact O-N 3.49Å; K200-Q202 VanDerWaalsContact C-N 3.33Å; K200-Q202 PolarHBondContact O-N 3.41Å; Q202-K206 VanDerWaalsContact O-CB 3.24Å; Q202-K206 WeakPolarHBondContact O-CB 3.33Å; Q202-K206 PolarHBondContact O-N 3.48Å
203I96.4Very high93.1Very high30 Ų3068.2 Ų68.215%0.15435%0.352CS..Hα-helixtrans-66.2-45.5175.3-73.9159.9000110.4L187 M190 V191 N194 S199 K200 T201 K206 F207L187-I203 HydrophobicContact CD1-CG2 3.79Å; M190-I203 HydrophobicContact CB-CG2 4.04Å; M190-I203 HydrophobicContact CE-CG2 4.28Å; V191-I203 HydrophobicContact CG2-CB 4.34Å; V191-I203 HydrophobicContact CG2-CG2 3.81Å; N194-I203 HydrophobicContact CB-CD1 4.35Å; N194-I203 VanDerWaalsContact ND2-CD1 3.35Å; N194-I203 WeakPolarHBondContact ND2-CD1 3.45Å; S199-I203 WeakPolarHBondContact O-CD1 3.35Å; S199-I203 VanDerWaalsContact O-CG1 3.26Å; S199-I203 WeakPolarHBondContact O-CG1 3.22Å; S199-I203 PolarHBondContact O-N 2.64Å; K200-I203 PolarHBondContact O-N 3.24Å; T201-I203 PolarHBondContact O-N 2.82Å; I203-K206 PolarHBondContact O-N 3.13Å; I203-F207 PolarHBondContact O-N 2.88Å; I203-F207 VanDerWaalsContact O-N 3.11Å
204I96.5Very high92.7Very high0 Ų063.2 Ų63.20%034%0.339CS..Hα-helixtrans-64.8-46.7176.5-61.2167.6000110L187 V191 K200 T201 K206 F207 L208 L228 V347 A350L187-I204 HydrophobicContact CD1-CG1 4.24Å; V191-I204 HydrophobicContact CG1-CD1 4.47Å; V191-I204 HydrophobicContact CG2-CD1 4.12Å; V191-I204 HydrophobicContact CG2-CG1 3.7Å; K200-I204 WeakPolarHBondContact O-CG1 3.49Å; K200-I204 PolarHBondContact O-N 3.1Å; K200-I204 VanDerWaalsContact O-N 3.12Å; T201-I204 PolarHBondContact O-N 3.42Å; I204-K206 VanDerWaalsContact C-N 3.33Å; I204-K206 PolarHBondContact O-N 2.89Å; I204-F207 PolarHBondContact O-N 3.45Å; I204-L208 HydrophobicContact CG2-CD1 3.67Å; I204-L208 HydrophobicContact CG2-CG 4.09Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 WeakPolarHBondContact O-CG 3.29Å; I204-L208 PolarHBondContact O-N 3.27Å; I204-L228 HydrophobicContact CG2-CD1 4.07Å; I204-V347 HydrophobicContact CD1-CB 4.48Å; I204-V347 HydrophobicContact CD1-CG2 4.01Å; I204-V347 HydrophobicContact CG2-CG1 4.49Å; I204-A350 HydrophobicContact CB-CB 3.82Å; I204-A350 HydrophobicContact CG2-CB 3.68Å
205E95.3Very high92.4Very high66 Ų6665.9 Ų65.931%0.30835%0.353SS..Hα-helixtrans-58-44.6178.2-178.4-171.8-170.500111.5T201 L208 K209 A350T201-E205 VanDerWaalsContact O-CB 3.26Å; T201-E205 WeakPolarHBondContact O-CB 3.22Å; T201-E205 PolarHBondContact O-N 3.47Å; E205-L208 PolarHBondContact O-N 3Å; E205-K209 HydrophobicContact CG-CD 3.87Å; E205-K209 WeakPolarHBondContact O-CB 3.37Å; E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.24Å; E205-K209 PolarHBondContact O-N 2.9Å; E205-K209 IonicContact OE1-NZ 3.56Å; E205-K209 PolarHBondContact OE1-NZ 2.71Å; E205-A350 HydrophobicContact CB-CB 4.02Å
206K95.4Very high92.4Very high142 Ų14264 Ų6462%0.61734%0.338SS*.Hα-helixtrans-60.5-46.2176.4-178.8-179.7175.8-175.20111.1Q202 I203 I204 K209 K210Q202-K206 VanDerWaalsContact O-CB 3.24Å; Q202-K206 WeakPolarHBondContact O-CB 3.33Å; Q202-K206 PolarHBondContact O-N 3.48Å; I203-K206 PolarHBondContact O-N 3.13Å; I204-K206 VanDerWaalsContact C-N 3.33Å; I204-K206 PolarHBondContact O-N 2.89Å; K206-K209 PolarHBondContact O-N 3.49Å; K206-K210 HydrophobicContact CG-CD 4.48Å; K206-K210 WeakPolarHBondContact O-CB 3.49Å; K206-K210 PolarHBondContact O-N 2.84Å
207F95.8Very high92.2Very high23 Ų2362.7 Ų62.710%0.10133%0.326CS..Hα-helixtrans-64.6-48.7178.6-177-92.4000111.8E183 L187 I203 I204 K209 G211 T212 F217 T224E183-F207 HydrophobicContact CB-CE2 4.48Å; L187-F207 HydrophobicContact CD1-CB 3.99Å; L187-F207 HydrophobicContact CD1-CG 4.26Å; L187-F207 HydrophobicContact CD2-CB 4.38Å; L187-F207 HydrophobicContact CD2-CD1 3.66Å; L187-F207 HydrophobicContact CD2-CE1 4.05Å; L187-F207 HydrophobicContact CD2-CG 4Å; I203-F207 PolarHBondContact O-N 2.88Å; I203-F207 VanDerWaalsContact O-N 3.11Å; I204-F207 PolarHBondContact O-N 3.45Å; F207-K209 PolarHBondContact O-N 3.09Å; F207-G211 VanDerWaalsContact O-CA 3.3Å; F207-G211 WeakPolarHBondContact O-CA 3.12Å; F207-G211 PolarHBondContact O-N 3.02Å; F207-T212 HydrophobicContact CE2-CG2 3.97Å; F207-F217 HydrophobicContact CD1-CD2 4.39Å; F207-F217 HydrophobicContact CD1-CE2 4.11Å; F207-F217 HydrophobicContact CE1-CD2 4.18Å; F207-F217 AromaticContact CE1-CE2 3.56Å; F207-F217 HydrophobicContact CE1-CE2 3.56Å; F207-F217 HydrophobicContact CE1-CZ 4.44Å; F207-F217 HydrophobicContact CZ-CE2 4.2Å; F207-T224 HydrophobicContact CE1-CG2 4.15Å
208L93.9Very high92.1Very high18 Ų1859.1 Ų59.19%0.09431%0.314CS..Hα-helixtrans-69-13.4-179.3-65.5-178.3000114.3I204 E205 F217 L221 T224 V225 V351I204-L208 HydrophobicContact CG2-CD1 3.67Å; I204-L208 HydrophobicContact CG2-CG 4.09Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 WeakPolarHBondContact O-CG 3.29Å; I204-L208 PolarHBondContact O-N 3.27Å; E205-L208 PolarHBondContact O-N 3Å; L208-F217 HydrophobicContact CD2-CE1 4.27Å; L208-F217 HydrophobicContact CD2-CE2 4.46Å; L208-F217 HydrophobicContact CD2-CZ 4.17Å; L208-F217 WeakPolarHBondContact O-CB 3.47Å; L208-L221 HydrophobicContact CB-CD1 4.42Å; L208-L221 HydrophobicContact CD1-CD1 3.95Å; L208-L221 HydrophobicContact CD2-CD1 3.73Å; L208-L221 HydrophobicContact CG-CD1 4.26Å; L208-T224 HydrophobicContact CD2-CG2 4.01Å; L208-V225 HydrophobicContact CD1-CG2 4.01Å; L208-V351 HydrophobicContact CD1-CG2 3.82Å
209K91.1Very high91.9Very high112 Ų11253.6 Ų53.649%0.48729%0.285SS..Hα-helixtrans-102-37.8175-68.8178.2-174.8177.20113.6E205 K206 F207 K216 F217E205-K209 HydrophobicContact CG-CD 3.87Å; E205-K209 WeakPolarHBondContact O-CB 3.37Å; E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.24Å; E205-K209 PolarHBondContact O-N 2.9Å; E205-K209 IonicContact OE1-NZ 3.56Å; E205-K209 PolarHBondContact OE1-NZ 2.71Å; K206-K209 PolarHBondContact O-N 3.49Å; F207-K209 PolarHBondContact O-N 3.09Å; K209-K216 WeakPolarHBondContact O-CA 3.27Å; K209-F217 PolarHBondContact O-N 2.65Å
210K90.8Very high91.8Very high96 Ų9652 Ų5242%0.41727%0.274SS..Hα-helixtrans-112.5-6.2-171.6-72.3-178.9155.8-690115.2K206 G214 D215 K216K206-K210 HydrophobicContact CG-CD 4.48Å; K206-K210 WeakPolarHBondContact O-CB 3.49Å; K206-K210 PolarHBondContact O-N 2.84Å; K210-G214 WeakPolarHBondContact CD-O 3.39Å; K210-G214 WeakPolarHBondContact CG-O 3.21Å; K210-G214 PolarHBondContact NZ-O 3.16Å; K210-G214 CarbonylContact O-C 3.52Å; K210-G214 WeakPolarHBondContact O-CA 3.37Å; K210-G214 PolarHBondContact O-N 3.17Å; K210-D215 PolarHBondContact O-N 2.62Å; K210-K216 CarbonylContact C-O 3.57Å; K210-K216 VanDerWaalsContact C-O 3.3Å; K210-K216 CarbonylContact O-C 3.56Å; K210-K216 PolarHBondContact O-N 2.98Å
211G90.5Very high91.6Very high12 Ų1252.6 Ų52.612%0.12428%0.277CS..THydrogen-bonded Turntrans54.7-155.5-175.900000113.6F207 K216F207-G211 VanDerWaalsContact O-CA 3.3Å; F207-G211 WeakPolarHBondContact O-CA 3.12Å; F207-G211 PolarHBondContact O-N 3.02Å; G211-K216 PolarHBondContact N-O 3.16Å
212T87.9Confident91.6Very high51 Ų5152.6 Ų52.631%0.31328%0.276SS..THydrogen-bonded Turntrans-85.7-17.6172.254.20000113.3D178 E183 F207D178-T212 WeakPolarHBondContact OD1-CB 3.29Å; D178-T212 WeakPolarHBondContact OD1-CG2 3.47Å; D178-T212 PolarHBondContact OD1-N 3.02Å; D178-T212 PolarHBondContact OD1-OG1 3.07Å; E183-T212 HydrophobicContact CB-CG2 4Å; E183-T212 HydrophobicContact CG-CG2 3.93Å; F207-T212 HydrophobicContact CE2-CG2 3.97Å
213G80.6Confident91.5Very high55 Ų5547.9 Ų47.957%0.56725%0.254SS*.THydrogen-bonded Turntrans-73.9-29.5175.100000113.8D215G213-D215 WeakPolarHBondContact CA-OD1 3.45Å
214G85Confident91.4Very high37 Ų3746.6 Ų46.638%0.38125%0.247SC..SBendtrans93.9-6.8-17700000113.8K210K210-G214 WeakPolarHBondContact CD-O 3.39Å; K210-G214 WeakPolarHBondContact CG-O 3.21Å; K210-G214 PolarHBondContact NZ-O 3.16Å; K210-G214 CarbonylContact O-C 3.52Å; K210-G214 WeakPolarHBondContact O-CA 3.37Å; K210-G214 PolarHBondContact O-N 3.17Å
215D87.1Confident91.4Very high112 Ų11246.6 Ų46.660%0.59925%0.247SC*.SBendtrans-99-66.2-179.457.2-25000111.8K210 G213K210-D215 PolarHBondContact O-N 2.62Å; G213-D215 WeakPolarHBondContact CA-OD1 3.45Å
216K89.6Confident91.4Very high115 Ų11544.4 Ų44.450%0.524%0.237SC..  trans-140.6151.4-175.4-169.1-167.8167.6-168.90110.4K209 K210 G211 H218K209-K216 WeakPolarHBondContact O-CA 3.27Å; K210-K216 CarbonylContact C-O 3.57Å; K210-K216 VanDerWaalsContact C-O 3.3Å; K210-K216 CarbonylContact O-C 3.56Å; K210-K216 PolarHBondContact O-N 2.98Å; G211-K216 PolarHBondContact N-O 3.16Å; K216-H218 PolarHBondContact O-CD2 2.84Å
217F91.1Very high91.4Very high22 Ų2238 Ų3810%0.09621%0.209CC..  trans-81.2130.2165.4-178.4-111.2000111.2D178 F207 L208 K209 G219 L221D178-F217 HydrophobicContact CB-CD2 4.11Å; D178-F217 HydrophobicContact CB-CE2 3.83Å; F207-F217 HydrophobicContact CD1-CD2 4.39Å; F207-F217 HydrophobicContact CD1-CE2 4.11Å; F207-F217 HydrophobicContact CE1-CD2 4.18Å; F207-F217 AromaticContact CE1-CE2 3.56Å; F207-F217 HydrophobicContact CE1-CE2 3.56Å; F207-F217 HydrophobicContact CE1-CZ 4.44Å; F207-F217 HydrophobicContact CZ-CE2 4.2Å; L208-F217 HydrophobicContact CD2-CE1 4.27Å; L208-F217 HydrophobicContact CD2-CE2 4.46Å; L208-F217 HydrophobicContact CD2-CZ 4.17Å; L208-F217 WeakPolarHBondContact O-CB 3.47Å; K209-F217 PolarHBondContact O-N 2.65Å; F217-G219 VanDerWaalsContact CE1-C 3.49Å; F217-G219 WeakPolarHBondContact CE1-O 3.34Å; F217-L221 HydrophobicContact CE1-CB 4.14Å
218H89.7Confident91.5Very high56 Ų5637 Ų3726%0.25921%0.205SC..  trans-116.4-2.9-178.6-75.4-107.9000113.6C172 D173 H176 D178 K216C172-H218 WeakPolarHBondContact CA-O 3.33Å; D173-H218 HydrophobicContact CB-CB 4.43Å; D173-H218 PolarHBondContact N-O 2.92Å; H176-H218 HydrophobicContact CB-CB 3.97Å; D178-H218 PolarHBondContact OD2-N 3.49Å; K216-H218 PolarHBondContact O-CD2 2.84Å
219G89.8Confident91.5Very high6 Ų636.4 Ų36.46%0.06220%0.202CC..SBendtrans-82175.3179.200000114.3F217 L221F217-G219 VanDerWaalsContact CE1-C 3.49Å; F217-G219 WeakPolarHBondContact CE1-O 3.34Å; G219-L221 PolarHBondContact O-N 3.06Å
220D92.4Very high91.6Very high2 Ų231.7 Ų31.71%0.01118%0.183CC..  trans-75108.9172.9-169.5-45.5000109.8S168 T169 C172 Y222 L223 T224S168-D220 PolarHBondContact OG-OD1 3.23Å; T169-D220 WeakPolarHBondContact CA-OD2 3.34Å; T169-D220 PolarHBondContact OG1-OD2 2.91Å; C172-D220 HydrophobicContact CB-CB 4.01Å; C172-D220 PolarHBondContact SG-N 3.28Å; C172-D220 VanDerWaalsContact SG-N 3.37Å; D220-Y222 WeakPolarHBondContact OD1-CB 3.49Å; D220-Y222 PolarHBondContact OD1-N 3.29Å; D220-Y222 VanDerWaalsContact OD1-N 3.08Å; D220-L223 HydrophobicContact CB-CB 4.01Å; D220-L223 HydrophobicContact CB-CD1 4.06Å; D220-L223 HydrophobicContact CB-CG 4.13Å; D220-L223 PolarHBondContact O-N 2.96Å; D220-L223 PolarHBondContact OD1-N 3.38Å; D220-T224 WeakPolarHBondContact O-CB 3.31Å; D220-T224 PolarHBondContact O-N 2.57Å; D220-T224 PolarHBondContact O-OG1 3.23Å
221L93.6Very high91.4Very high17 Ų1728.7 Ų28.79%0.08918%0.179CC..Hα-helixtrans-61.2-46.7-179.1175.361.1000111.8S168 L208 F217 G219 T224 V225 V351 I369 L373S168-L221 PolarHBondContact OG-N 3.33Å; S168-L221 VanDerWaalsContact OG-N 3.12Å; L208-L221 HydrophobicContact CB-CD1 4.42Å; L208-L221 HydrophobicContact CD1-CD1 3.95Å; L208-L221 HydrophobicContact CD2-CD1 3.73Å; L208-L221 HydrophobicContact CG-CD1 4.26Å; F217-L221 HydrophobicContact CE1-CB 4.14Å; G219-L221 PolarHBondContact O-N 3.06Å; L221-T224 PolarHBondContact O-N 3.06Å; L221-V225 HydrophobicContact CD1-CG2 3.95Å; L221-V225 WeakPolarHBondContact O-CB 3.45Å; L221-V225 VanDerWaalsContact O-CG2 3.28Å; L221-V225 WeakPolarHBondContact O-CG2 3.32Å; L221-V225 PolarHBondContact O-N 2.87Å; L221-V351 HydrophobicContact CD1-CG2 4.49Å; L221-I369 HydrophobicContact CB-CG2 4.43Å; L221-I369 HydrophobicContact CD2-CG2 3.91Å; L221-I369 HydrophobicContact CG-CD1 4.37Å; L221-I369 HydrophobicContact CG-CG2 3.96Å; L221-L373 HydrophobicContact CD2-CD1 4.44Å; L221-L373 HydrophobicContact CD2-CD2 3.76Å; L221-L373 HydrophobicContact CD2-CG 4.08Å
222Y94.7Very high91.2Very high17 Ų1729.3 Ų29.37%0.06718%0.18CC..Hα-helixtrans-60.3-48.7177167.1-100.4000111.1S163 S168 D220 T224 V225 K226 L365S163-Y222 PolarHBondContact O-OH 3.45Å; S168-Y222 WeakPolarHBondContact OG-CB 3.41Å; S168-Y222 PolarHBondContact OG-N 3.14Å; D220-Y222 WeakPolarHBondContact OD1-CB 3.49Å; D220-Y222 PolarHBondContact OD1-N 3.29Å; D220-Y222 VanDerWaalsContact OD1-N 3.08Å; Y222-T224 PolarHBondContact O-N 3.46Å; Y222-V225 PolarHBondContact O-N 3.46Å; Y222-K226 HydrophobicContact CE1-CD 4.09Å; Y222-K226 WeakPolarHBondContact O-CB 3.25Å; Y222-K226 PolarHBondContact O-N 3.46Å; Y222-L365 HydrophobicContact CD2-CD2 4.43Å; Y222-L365 HydrophobicContact CD2-CG 4.21Å; Y222-L365 HydrophobicContact CE2-CB 4.33Å; Y222-L365 HydrophobicContact CE2-CD2 4.27Å; Y222-L365 HydrophobicContact CE2-CG 4.17Å
223L94.1Very high91.1Very high17 Ų1729.1 Ų29.19%0.08918%0.179CC..Hα-helixtrans-65-40.2178.5-68.8-179.1000112.2D220 K226 L227 I292 Q293 D296D220-L223 HydrophobicContact CB-CB 4.01Å; D220-L223 HydrophobicContact CB-CD1 4.06Å; D220-L223 HydrophobicContact CB-CG 4.13Å; D220-L223 PolarHBondContact O-N 2.96Å; D220-L223 PolarHBondContact OD1-N 3.38Å; L223-K226 HydrophobicContact CD2-CD 4.18Å; L223-K226 PolarHBondContact O-N 2.86Å; L223-L227 WeakPolarHBondContact O-CB 3.04Å; L223-L227 VanDerWaalsContact O-CG 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 2.84Å; L223-I292 HydrophobicContact CB-CD1 3.99Å; L223-Q293 HydrophobicContact CD1-CG 3.82Å; L223-D296 HydrophobicContact CD2-CB 4.32Å; L223-D296 WeakPolarHBondContact CD2-OD2 3.29Å
224T95.5Very high91.1Very high2 Ų232.7 Ų32.71%0.01218%0.179CC..Hα-helixtrans-64.8-47.4178.4-55.50000110.6F184 F207 L208 D220 L221 Y222 K226 L227 L228F184-T224 HydrophobicContact CD2-CG2 4.46Å; F207-T224 HydrophobicContact CE1-CG2 4.15Å; L208-T224 HydrophobicContact CD2-CG2 4.01Å; D220-T224 WeakPolarHBondContact O-CB 3.31Å; D220-T224 PolarHBondContact O-N 2.57Å; D220-T224 PolarHBondContact O-OG1 3.23Å; L221-T224 PolarHBondContact O-N 3.06Å; Y222-T224 PolarHBondContact O-N 3.46Å; T224-K226 PolarHBondContact O-N 3.03Å; T224-L227 PolarHBondContact O-N 2.98Å; T224-L228 HydrophobicContact CG2-CD1 4.28Å; T224-L228 WeakPolarHBondContact O-CB 3.26Å; T224-L228 VanDerWaalsContact O-CG 3.26Å; T224-L228 WeakPolarHBondContact O-CG 3.43Å; T224-L228 PolarHBondContact O-N 3.1Å
225V95.9Very high91.2Very high0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-67.4-36.91781760000111.9L208 L221 Y222 L228 L229 V347 L348 V351 L365 I369L208-V225 HydrophobicContact CD1-CG2 4.01Å; L221-V225 HydrophobicContact CD1-CG2 3.95Å; L221-V225 WeakPolarHBondContact O-CB 3.45Å; L221-V225 VanDerWaalsContact O-CG2 3.28Å; L221-V225 WeakPolarHBondContact O-CG2 3.32Å; L221-V225 PolarHBondContact O-N 2.87Å; Y222-V225 PolarHBondContact O-N 3.46Å; V225-L228 PolarHBondContact O-N 3.44Å; V225-L229 HydrophobicContact CG1-CD1 3.99Å; V225-L229 WeakPolarHBondContact O-CB 3.34Å; V225-L229 WeakPolarHBondContact O-CG 3.17Å; V225-L229 PolarHBondContact O-N 3.06Å; V225-V347 HydrophobicContact CG1-CG1 4.02Å; V225-L348 HydrophobicContact CG1-CD2 4.05Å; V225-V351 HydrophobicContact CG2-CG2 3.69Å; V225-L365 HydrophobicContact CG1-CD1 3.86Å; V225-L365 HydrophobicContact CG1-CD2 4.16Å; V225-I369 HydrophobicContact CB-CD1 4.38Å; V225-I369 HydrophobicContact CG1-CD1 4.33Å; V225-I369 HydrophobicContact CG2-CD1 4.28Å
226K95.3Very high91.3Very high21 Ų2131.6 Ų31.69%0.09117%0.171CC..Hα-helixtrans-60-50.7173.6179.6-166.2-176-165.50111.1Y222 L223 T224 L229 V233 D296 L365Y222-K226 HydrophobicContact CE1-CD 4.09Å; Y222-K226 WeakPolarHBondContact O-CB 3.25Å; Y222-K226 PolarHBondContact O-N 3.46Å; L223-K226 HydrophobicContact CD2-CD 4.18Å; L223-K226 PolarHBondContact O-N 2.86Å; T224-K226 PolarHBondContact O-N 3.03Å; K226-L229 CarbonylContact O-C 3.59Å; K226-L229 PolarHBondContact O-N 3.37Å; K226-V233 HydrophobicContact CG-CG1 4.26Å; K226-D296 WeakPolarHBondContact CE-OD1 3.29Å; K226-D296 IonicContact NZ-OD1 3.46Å; K226-D296 PolarHBondContact NZ-OD1 3.46Å; K226-D296 IonicContact NZ-OD2 3.42Å; K226-D296 PolarHBondContact NZ-OD2 3.45Å; K226-L365 HydrophobicContact CB-CD2 4.04Å
227L96.1Very high91.4Very high6 Ų626.8 Ų26.83%0.03115%0.149CC..Hα-helixtrans-70.3-29.1-179.7-68178000112.5F184 L223 T224 L229 P230 I292 L299 L333 L338F184-L227 HydrophobicContact CD2-CB 4.32Å; F184-L227 HydrophobicContact CE1-CB 4.48Å; F184-L227 HydrophobicContact CE2-CB 3.49Å; F184-L227 VanDerWaalsContact CE2-CB 3.49Å; F184-L227 HydrophobicContact CZ-CB 3.61Å; F184-L227 WeakPolarHBondContact CZ-O 3.4Å; L223-L227 WeakPolarHBondContact O-CB 3.04Å; L223-L227 VanDerWaalsContact O-CG 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 2.84Å; T224-L227 PolarHBondContact O-N 2.98Å; L227-L229 PolarHBondContact O-N 2.96Å; L227-P230 WeakPolarHBondContact O-CD 3.26Å; L227-I292 HydrophobicContact CD1-CB 3.8Å; L227-I292 HydrophobicContact CD1-CG2 4.16Å; L227-L299 HydrophobicContact CD2-CD1 4.19Å; L227-L333 HydrophobicContact CB-CD2 4.4Å; L227-L333 HydrophobicContact CD2-CD1 4.25Å; L227-L333 HydrophobicContact CD2-CD2 4.27Å; L227-L333 VanDerWaalsContact O-CD2 3.23Å; L227-L333 WeakPolarHBondContact O-CD2 3.26Å; L227-L338 WeakPolarHBondContact O-CD1 3.25Å
228L96.6Very high91.4Very high4 Ų429.4 Ų29.42%0.02116%0.164CC..Hα-helixtrans-67.1-17.7168.9-74174000113F184 L187 I204 T224 V225 P230 M340 V347F184-L228 HydrophobicContact CE2-CD2 3.9Å; F184-L228 HydrophobicContact CE2-CG 3.93Å; F184-L228 HydrophobicContact CZ-CD2 4.38Å; L187-L228 HydrophobicContact CD2-CD1 4Å; L187-L228 HydrophobicContact CD2-CD2 4.12Å; L187-L228 HydrophobicContact CG-CD2 4.47Å; I204-L228 HydrophobicContact CG2-CD1 4.07Å; T224-L228 HydrophobicContact CG2-CD1 4.28Å; T224-L228 WeakPolarHBondContact O-CB 3.26Å; T224-L228 VanDerWaalsContact O-CG 3.26Å; T224-L228 WeakPolarHBondContact O-CG 3.43Å; T224-L228 PolarHBondContact O-N 3.1Å; V225-L228 PolarHBondContact O-N 3.44Å; L228-P230 WeakPolarHBondContact O-CD 3.24Å; L228-M340 HydrophobicContact CD2-CE 3.76Å; L228-M340 HydrophobicContact CD2-SD 4.4Å; L228-V347 HydrophobicContact CB-CG1 3.88Å; L228-V347 HydrophobicContact CB-CG2 4.33Å; L228-V347 HydrophobicContact CD1-CG1 3.76Å; L228-V347 HydrophobicContact CG-CG1 4.48Å
229L95.2Very high91.5Very high4 Ų428 Ų282%0.02116%0.158CC..  trans-121.146.6-173.2-66.1179.9000114.4V225 K226 L227 G231 V232 V233 V347 L348V225-L229 HydrophobicContact CG1-CD1 3.99Å; V225-L229 WeakPolarHBondContact O-CB 3.34Å; V225-L229 WeakPolarHBondContact O-CG 3.17Å; V225-L229 PolarHBondContact O-N 3.06Å; K226-L229 CarbonylContact O-C 3.59Å; K226-L229 PolarHBondContact O-N 3.37Å; L227-L229 PolarHBondContact O-N 2.96Å; L229-G231 PolarHBondContact O-N 2.96Å; L229-G231 VanDerWaalsContact O-N 3.15Å; L229-V232 HydrophobicContact CB-CB 4.13Å; L229-V232 HydrophobicContact CB-CG2 4.15Å; L229-V232 HydrophobicContact CD2-CG2 4.05Å; L229-V232 PolarHBondContact O-N 3.1Å; L229-V233 PolarHBondContact O-N 3.2Å; L229-V347 HydrophobicContact CD1-CB 4.17Å; L229-V347 HydrophobicContact CD1-CG1 4.22Å; L229-V347 HydrophobicContact CD2-CB 3.84Å; L229-V347 HydrophobicContact CD2-CG1 4.39Å; L229-V347 HydrophobicContact CD2-CG2 3.54Å; L229-V347 HydrophobicContact CG-CB 4.08Å; L229-V347 HydrophobicContact CG-CG1 4.11Å; L229-V347 HydrophobicContact CG-CG2 4.14Å; L229-L348 HydrophobicContact CD1-CG 4.31Å
230P92.7Very high91.6Very high13 Ų1331.3 Ų31.38%0.08418%0.175CC..THydrogen-bonded Turntrans-70.9-17.2-174.836.1-38.5000112.2L227 L228 V232 L333 H336 L338L227-P230 WeakPolarHBondContact O-CD 3.26Å; L228-P230 WeakPolarHBondContact O-CD 3.24Å; P230-V232 VanDerWaalsContact C-N 3.32Å; P230-L333 HydrophobicContact CB-CD2 4.05Å; P230-L333 HydrophobicContact CG-CD2 4.1Å; P230-H336 WeakPolarHBondContact O-CB 3.37Å; P230-H336 PolarHBondContact O-ND1 2.9Å; P230-L338 HydrophobicContact CG-CD1 4.04Å; P230-L338 HydrophobicContact CG-CG 4.12Å
231G86.8Confident91.6Very high33 Ų3332.2 Ų32.234%0.3418%0.18SC..THydrogen-bonded Turntrans-79.6-8170.600000114.6L229 K234 H336L229-G231 PolarHBondContact O-N 2.96Å; L229-G231 VanDerWaalsContact O-N 3.15Å; G231-K234 WeakPolarHBondContact O-CE 3.44Å; G231-H336 VanDerWaalsContact CA-O 3.32Å; G231-H336 WeakPolarHBondContact CA-O 3.44Å; G231-H336 PolarHBondContact N-O 3.4Å
232V86.4Confident91.5Very high25 Ų2538.1 Ų38.115%0.15221%0.205CC..THydrogen-bonded Turntrans-118.2-49.1-174.7-169.30000110.6L229 P230 K234 A344 F359 R363L229-V232 HydrophobicContact CB-CB 4.13Å; L229-V232 HydrophobicContact CB-CG2 4.15Å; L229-V232 HydrophobicContact CD2-CG2 4.05Å; L229-V232 PolarHBondContact O-N 3.1Å; P230-V232 VanDerWaalsContact C-N 3.32Å; V232-K234 PolarHBondContact O-N 2.73Å; V232-A344 HydrophobicContact CG1-CB 4.32Å; V232-A344 HydrophobicContact CG2-CB 4.05Å; V232-F359 HydrophobicContact CG1-CE1 3.57Å; V232-F359 HydrophobicContact CG1-CZ 3.7Å; V232-R363 PolarHBondContact O-NH2 2.87Å
233V84.8Confident91.5Very high47 Ų4739.9 Ų39.929%0.28521%0.213SC..SBendtrans-92.878.8170.8-173.10000107.6K226 L229 S235 L365K226-V233 HydrophobicContact CG-CG1 4.26Å; L229-V233 PolarHBondContact O-N 3.2Å; V233-S235 PolarHBondContact O-N 3Å; V233-L365 HydrophobicContact CG2-CB 4.39Å; V233-L365 HydrophobicContact CG2-CD2 3.88Å
234K81.9Confident91.6Very high130 Ų13039.1 Ų39.157%0.56521%0.209SC*.  trans-87.2110.3-173.9-62.2-160.4177.9-159.90112.3G231 V232G231-K234 WeakPolarHBondContact O-CE 3.44Å; V232-K234 PolarHBondContact O-N 2.73Å
235S86.8Confident91.6Very high39 Ų3939 Ų3927%0.27321%0.209SC..  trans-64.8173.4150.6-54.10000110.5V233 H336V233-S235 PolarHBondContact O-N 3Å; S235-H336 PolarHBondContact O-CE1 2.96Å
236V88.8Confident91.7Very high88 Ų8842 Ų4253%0.53322%0.222SC..  trans-128.7109170.8179.40000108.7
237Y91.6Very high91.8Very high13 Ų1341.1 Ų41.15%0.05122%0.218CC..  trans-92-2.1-175-49.9-71.7000114.1L239 L299 L302 A303 Q311 I334 H336Y237-L239 WeakPolarHBondContact O-CG 3.36Å; Y237-L239 PolarHBondContact O-N 3.25Å; Y237-L299 HydrophobicContact CE1-CB 4.03Å; Y237-L299 HydrophobicContact CE1-CD2 3.94Å; Y237-L299 WeakPolarHBondContact CE1-O 3.32Å; Y237-L302 HydrophobicContact CD1-CB 4.34Å; Y237-L302 HydrophobicContact CD1-CD2 4.22Å; Y237-L302 HydrophobicContact CD1-CG 4.21Å; Y237-A303 HydrophobicContact CD1-CB 3.9Å; Y237-A303 HydrophobicContact CE1-CB 4.01Å; Y237-Q311 PolarHBondContact O-NE2 2.68Å; Y237-I334 HydrophobicContact CD2-CB 4.27Å; Y237-I334 HydrophobicContact CD2-CG2 3.96Å; Y237-I334 VanDerWaalsContact CD2-O 3.29Å; Y237-I334 WeakPolarHBondContact CD2-O 3.41Å; Y237-I334 HydrophobicContact CE2-CB 4.46Å; Y237-I334 HydrophobicContact CG-CG2 4.22Å; Y237-H336 AromaticContact CD2-CE1 3.82Å; Y237-H336 AromaticContact CD2-NE2 3.87Å; Y237-H336 AromaticContact CE2-CE1 3.44Å; Y237-H336 VanDerWaalsContact CE2-CE1 3.44Å; Y237-H336 WeakPolarHBondContact CE2-CE1 3.42Å; Y237-H336 AromaticContact CE2-NE2 3.95Å
238N90.9Very high91.8Very high78 Ų7840.8 Ų40.842%0.41722%0.217SC..  trans55.820.6-177.2-53.9-56.9000115.4Q243N238-Q243 PolarHBondContact O-NE2 3.49Å; N238-Q243 PolarHBondContact O-OE1 2.81Å
239L92.7Very high91.9Very high25 Ų2541 Ų4113%0.13122%0.218CC..  trans-112.2125.3-178-72.4170.5000112Y237 Q243 I244 L247 L302 L315 I334Y237-L239 WeakPolarHBondContact O-CG 3.36Å; Y237-L239 PolarHBondContact O-N 3.25Å; L239-Q243 HydrophobicContact CD2-CB 3.85Å; L239-I244 HydrophobicContact CB-CD1 4.41Å; L239-I244 HydrophobicContact CB-CG1 4.04Å; L239-L247 HydrophobicContact CD2-CD1 3.74Å; L239-L302 HydrophobicContact CD1-CD1 4.31Å; L239-L302 HydrophobicContact CD1-CD2 4.19Å; L239-L315 HydrophobicContact CD1-CD1 4.1Å; L239-I334 HydrophobicContact CB-CG2 4.46Å; L239-I334 HydrophobicContact CD1-CG2 4.27Å
240N90.7Very high91.9Very high77 Ų7745.6 Ų45.641%0.41224%0.235SC..  trans-105.9170.2168.782.366.2000112.1K242 Q243 I244N240-K242 VanDerWaalsContact C-N 3.26Å; N240-K242 PolarHBondContact O-N 2.89Å; N240-K242 VanDerWaalsContact O-N 3.14Å; N240-K242 WeakPolarHBondContact OD1-CB 3.24Å; N240-K242 PolarHBondContact OD1-N 2.9Å; N240-Q243 VanDerWaalsContact CG-OE1 3.32Å; N240-Q243 PolarHBondContact ND2-OE1 3.12Å; N240-Q243 WeakPolarHBondContact O-CB 3.5Å; N240-Q243 PolarHBondContact O-N 3.27Å; N240-Q243 PolarHBondContact OD1-N 3.15Å; N240-I244 WeakPolarHBondContact O-CG1 3.25Å; N240-I244 PolarHBondContact O-N 2.84Å
241D92.3Very high92Very high20 Ų2045.4 Ų45.411%0.10723%0.234CC..Hα-helixtrans-52-40.7-174.5-43.4-37.7000113.4V245 L263 K335 K619D241-V245 WeakPolarHBondContact O-CG2 3.29Å; D241-V245 PolarHBondContact O-N 2.8Å; D241-V245 VanDerWaalsContact O-N 3.08Å; D241-L263 HydrophobicContact CB-CD1 4.23Å; D241-L263 HydrophobicContact CB-CD2 3.88Å; D241-K335 WeakPolarHBondContact OD1-CE 3.45Å; D241-K335 IonicContact OD1-NZ 2.76Å; D241-K335 PolarHBondContact OD1-NZ 3.38Å; D241-K619 IonicContact OD2-NZ 2.7Å; D241-K619 PolarHBondContact OD2-NZ 3.26Å
242K91.4Very high92.4Very high141 Ų14144 Ų4461%0.61322%0.218SC*.Hα-helixtrans-74.3-33.3178.3-66.2-167.9172.2-163.90113N240 K246N240-K242 VanDerWaalsContact C-N 3.26Å; N240-K242 PolarHBondContact O-N 2.89Å; N240-K242 VanDerWaalsContact O-N 3.14Å; N240-K242 WeakPolarHBondContact OD1-CB 3.24Å; N240-K242 PolarHBondContact OD1-N 2.9Å; K242-K246 VanDerWaalsContact O-CB 3.28Å; K242-K246 WeakPolarHBondContact O-CB 3.26Å; K242-K246 PolarHBondContact O-N 3.47Å
243Q94.7Very high92.8Very high54 Ų5452.8 Ų52.825%0.25225%0.248SC..Hα-helixtrans-67.5-44.5173.5-71.1167.6-85.400110.4N238 L239 N240 V245 K246 L247N238-Q243 PolarHBondContact O-NE2 3.49Å; N238-Q243 PolarHBondContact O-OE1 2.81Å; L239-Q243 HydrophobicContact CD2-CB 3.85Å; N240-Q243 VanDerWaalsContact CG-OE1 3.32Å; N240-Q243 PolarHBondContact ND2-OE1 3.12Å; N240-Q243 WeakPolarHBondContact O-CB 3.5Å; N240-Q243 PolarHBondContact O-N 3.27Å; N240-Q243 PolarHBondContact OD1-N 3.15Å; Q243-V245 PolarHBondContact O-N 2.98Å; Q243-K246 PolarHBondContact O-N 3.25Å; Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 2.83Å
244I96.6Very high93.2Very high1 Ų152.1 Ų52.11%0.00525%0.246CC..Hα-helixtrans-58-49.3176.6-65169.6000109.8L239 N240 K246 L247 F248 V268 V272 I331 I334 K335L239-I244 HydrophobicContact CB-CD1 4.41Å; L239-I244 HydrophobicContact CB-CG1 4.04Å; N240-I244 WeakPolarHBondContact O-CG1 3.25Å; N240-I244 PolarHBondContact O-N 2.84Å; I244-K246 PolarHBondContact O-N 3.06Å; I244-L247 PolarHBondContact O-N 2.66Å; I244-F248 HydrophobicContact CG2-CD2 3.81Å; I244-F248 HydrophobicContact CG2-CE2 4.11Å; I244-F248 WeakPolarHBondContact O-CD2 3.43Å; I244-F248 PolarHBondContact O-N 3.14Å; I244-V268 HydrophobicContact CB-CG2 4.03Å; I244-V268 HydrophobicContact CD1-CG1 4.42Å; I244-V268 HydrophobicContact CG2-CG2 3.69Å; I244-V272 HydrophobicContact CG2-CG2 3.9Å; I244-I331 HydrophobicContact CG2-CD1 4.27Å; I244-I331 HydrophobicContact CG2-CG2 4.34Å; I244-I334 HydrophobicContact CD1-CG2 4.3Å; I244-K335 HydrophobicContact CD1-CD 3.96Å; I244-K335 HydrophobicContact CD1-CG 4.37Å
245V96.8Very high93.7Very high0 Ų049.7 Ų49.70%024%0.239CC..Hα-helixtrans-58.6-47.7174.7165.90000112.4D241 Q243 L247 F248 S249 Q256 M259 V260 L263 V268 T271D241-V245 WeakPolarHBondContact O-CG2 3.29Å; D241-V245 PolarHBondContact O-N 2.8Å; D241-V245 VanDerWaalsContact O-N 3.08Å; Q243-V245 PolarHBondContact O-N 2.98Å; V245-L247 VanDerWaalsContact C-N 3.32Å; V245-L247 PolarHBondContact O-N 2.97Å; V245-F248 PolarHBondContact O-N 2.92Å; V245-S249 WeakPolarHBondContact O-CB 3.36Å; V245-S249 PolarHBondContact O-N 2.87Å; V245-S249 PolarHBondContact O-OG 3.1Å; V245-Q256 HydrophobicContact CG1-CG 4.1Å; V245-M259 HydrophobicContact CG1-CB 3.48Å; V245-M259 VanDerWaalsContact CG1-CB 3.48Å; V245-M259 HydrophobicContact CG1-SD 4.44Å; V245-M259 HydrophobicContact CG2-CB 4.45Å; V245-V260 HydrophobicContact CG1-CG2 3.91Å; V245-L263 HydrophobicContact CG2-CD2 4.01Å; V245-V268 HydrophobicContact CG2-CG2 3.99Å; V245-T271 HydrophobicContact CG2-CG2 4.43Å
246K96.8Very high94.1Very high63 Ų6351.8 Ų51.827%0.27424%0.244SC..Hα-helixtrans-60.6-37.4179.6-177.2-171.6175.3-165.50113.2K242 Q243 I244 S249 E308K242-K246 VanDerWaalsContact O-CB 3.28Å; K242-K246 WeakPolarHBondContact O-CB 3.26Å; K242-K246 PolarHBondContact O-N 3.47Å; Q243-K246 PolarHBondContact O-N 3.25Å; I244-K246 PolarHBondContact O-N 3.06Å; K246-S249 PolarHBondContact O-OG 3.25Å; K246-E308 VanDerWaalsContact CE-OE1 3.23Å; K246-E308 WeakPolarHBondContact CE-OE1 3.39Å; K246-E308 WeakPolarHBondContact CE-OE2 3.44Å; K246-E308 IonicContact NZ-OE1 2.58Å; K246-E308 PolarHBondContact NZ-OE1 3.19Å; K246-E308 IonicContact NZ-OE2 4Å; K246-E308 PolarHBondContact NZ-OE2 3.05Å
247L97.2Very high94.2Very high2 Ų254.8 Ų54.81%0.0125%0.253CS..Hα-helixtrans-73.2-46.4177.6-69.2-175.9000111.2L239 Q243 I244 V245 R250 I251 E308 Q311 Q312 L315L239-L247 HydrophobicContact CD2-CD1 3.74Å; Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 2.83Å; I244-L247 PolarHBondContact O-N 2.66Å; V245-L247 VanDerWaalsContact C-N 3.32Å; V245-L247 PolarHBondContact O-N 2.97Å; L247-R250 PolarHBondContact O-N 2.89Å; L247-I251 WeakPolarHBondContact O-CG1 3.47Å; L247-I251 PolarHBondContact O-N 2.97Å; L247-I251 VanDerWaalsContact O-N 3.14Å; L247-E308 HydrophobicContact CD2-CG 3.54Å; L247-Q311 HydrophobicContact CD1-CB 4.06Å; L247-Q312 HydrophobicContact CD2-CB 3.82Å; L247-Q312 HydrophobicContact CD2-CG 4.05Å; L247-L315 HydrophobicContact CB-CD1 4.35Å; L247-L315 HydrophobicContact CD1-CD1 3.67Å
248F97.4Very high94.3Very high0 Ų056.4 Ų56.40%026%0.262CS..Hα-helixtrans-72-29.4-179.8-79.4-69.9000113.8I244 V245 R250 I251 F252 M259 V272 L315 A319 L327 I331I244-F248 HydrophobicContact CG2-CD2 3.81Å; I244-F248 HydrophobicContact CG2-CE2 4.11Å; I244-F248 WeakPolarHBondContact O-CD2 3.43Å; I244-F248 PolarHBondContact O-N 3.14Å; V245-F248 PolarHBondContact O-N 2.92Å; F248-R250 VanDerWaalsContact C-N 3.27Å; F248-R250 PolarHBondContact O-N 3.22Å; F248-I251 HydrophobicContact CD1-CB 4.42Å; F248-I251 HydrophobicContact CD1-CD1 3.94Å; F248-I251 HydrophobicContact CE1-CD1 3.99Å; F248-I251 PolarHBondContact O-N 2.95Å; F248-F252 HydrophobicContact CB-CD2 4.11Å; F248-F252 HydrophobicContact CB-CE2 3.8Å; F248-F252 HydrophobicContact CB-CZ 4.23Å; F248-F252 AromaticContact CD1-CE1 3.76Å; F248-F252 HydrophobicContact CD1-CE1 3.76Å; F248-F252 AromaticContact CD1-CE2 3.85Å; F248-F252 HydrophobicContact CD1-CE2 3.85Å; F248-F252 AromaticContact CD1-CZ 3.36Å; F248-F252 HydrophobicContact CD1-CZ 3.36Å; F248-F252 HydrophobicContact CE1-CE1 4.36Å; F248-F252 HydrophobicContact CE1-CZ 4.07Å; F248-F252 HydrophobicContact CG-CE2 4.13Å; F248-F252 HydrophobicContact CG-CZ 4.08Å; F248-F252 VanDerWaalsContact O-CB 3.31Å; F248-F252 WeakPolarHBondContact O-CB 3.45Å; F248-F252 WeakPolarHBondContact O-CD2 3.4Å; F248-F252 VanDerWaalsContact O-CG 3.28Å; F248-F252 WeakPolarHBondContact O-CG 3.35Å; F248-F252 PolarHBondContact O-N 2.8Å; F248-M259 HydrophobicContact CB-CE 4.2Å; F248-V272 HydrophobicContact CB-CG2 4.26Å; F248-V272 HydrophobicContact CD1-CG1 4.19Å; F248-V272 HydrophobicContact CD2-CG1 4.03Å; F248-V272 HydrophobicContact CD2-CG2 3.89Å; F248-V272 HydrophobicContact CE1-CG1 4.43Å; F248-V272 HydrophobicContact CE2-CG1 4.3Å; F248-V272 HydrophobicContact CG-CG1 3.98Å; F248-V272 HydrophobicContact CG-CG2 4.18Å; F248-V272 HydrophobicContact CZ-CG1 4.48Å; F248-L315 HydrophobicContact CE2-CD1 4.07Å; F248-L315 HydrophobicContact CE2-CD2 4.24Å; F248-L315 HydrophobicContact CZ-CB 3.96Å; F248-L315 HydrophobicContact CZ-CD1 4.34Å; F248-L315 HydrophobicContact CZ-CD2 4.06Å; F248-L315 HydrophobicContact CZ-CG 4.35Å; F248-A319 HydrophobicContact CE1-CB 4.19Å; F248-L327 HydrophobicContact CE1-CD1 4.27Å; F248-L327 HydrophobicContact CE1-CD2 3.99Å; F248-L327 HydrophobicContact CZ-CD1 4.05Å; F248-L327 HydrophobicContact CZ-CD2 4.45Å; F248-I331 HydrophobicContact CD2-CD1 4.37Å; F248-I331 HydrophobicContact CE2-CD1 3.49Å; F248-I331 VanDerWaalsContact CE2-CD1 3.49Å; F248-I331 HydrophobicContact CZ-CD1 3.91Å
249S96.7Very high94.5Very high8 Ų852.7 Ų52.76%0.05624%0.243CC..Hα-helixtrans-63.4-34.1173.367.60000112.2V245 K246 R253 S254V245-S249 WeakPolarHBondContact O-CB 3.36Å; V245-S249 PolarHBondContact O-N 2.87Å; V245-S249 PolarHBondContact O-OG 3.1Å; K246-S249 PolarHBondContact O-OG 3.25Å; S249-R253 CarbonylContact O-C 3.5Å; S249-R253 VanDerWaalsContact O-CA 3.27Å; S249-R253 WeakPolarHBondContact O-CA 3.37Å; S249-R253 PolarHBondContact O-N 3.09Å; S249-S254 PolarHBondContact O-N 3.09Å
250R95.9Very high94.4Very high100 Ų10054.2 Ų54.238%0.37725%0.253SS..Hα-helixtrans-69.8-47.9171.3-68.2173.2176.7163.81.3112.3L247 F248 R253 E308L247-R250 PolarHBondContact O-N 2.89Å; F248-R250 VanDerWaalsContact C-N 3.27Å; F248-R250 PolarHBondContact O-N 3.22Å; R250-R253 PolarHBondContact O-N 2.89Å; R250-E308 IonicContact CZ-OE1 3.6Å; R250-E308 VanDerWaalsContact CZ-OE1 3.25Å; R250-E308 IonicContact NH1-OE1 2.74Å; R250-E308 PolarHBondContact NH1-OE1 3.05Å; R250-E308 IonicContact NH2-OE1 2.74Å; R250-E308 PolarHBondContact NH2-OE1 3.08Å
251I95.5Very high94.4Very high10 Ų1057.7 Ų57.75%0.05126%0.26CS..Hα-helixtrans-61-46.5-178.9-66.9164.3000110.9L247 F248 R253 F282 Q312 L315 E316L247-I251 WeakPolarHBondContact O-CG1 3.47Å; L247-I251 PolarHBondContact O-N 2.97Å; L247-I251 VanDerWaalsContact O-N 3.14Å; F248-I251 HydrophobicContact CD1-CB 4.42Å; F248-I251 HydrophobicContact CD1-CD1 3.94Å; F248-I251 HydrophobicContact CE1-CD1 3.99Å; F248-I251 PolarHBondContact O-N 2.95Å; I251-R253 VanDerWaalsContact C-N 3.33Å; I251-F282 HydrophobicContact CG2-CD1 3.99Å; I251-F282 HydrophobicContact CG2-CD2 3.87Å; I251-F282 HydrophobicContact CG2-CE1 3.87Å; I251-F282 HydrophobicContact CG2-CE2 3.71Å; I251-F282 HydrophobicContact CG2-CG 4Å; I251-F282 HydrophobicContact CG2-CZ 3.71Å; I251-Q312 HydrophobicContact CD1-CG 3.98Å; I251-Q312 HydrophobicContact CG1-CG 3.88Å; I251-L315 HydrophobicContact CD1-CB 4.21Å; I251-E316 HydrophobicContact CD1-CB 4.06Å; I251-E316 HydrophobicContact CG1-CB 4.16Å; I251-E316 HydrophobicContact CG1-CG 4.41Å; I251-E316 HydrophobicContact CG2-CB 4.44Å; I251-E316 HydrophobicContact CG2-CG 4.04Å
252F95.5Very high94.3Very high4 Ų458.7 Ų58.72%0.01827%0.265CS..Hα-helixtrans-82.5-8.8-179.6-58.3-23.9000114F248 S254 V272 F275 F276 S279 S281 F282 L327F248-F252 HydrophobicContact CB-CD2 4.11Å; F248-F252 HydrophobicContact CB-CE2 3.8Å; F248-F252 HydrophobicContact CB-CZ 4.23Å; F248-F252 AromaticContact CD1-CE1 3.76Å; F248-F252 HydrophobicContact CD1-CE1 3.76Å; F248-F252 AromaticContact CD1-CE2 3.85Å; F248-F252 HydrophobicContact CD1-CE2 3.85Å; F248-F252 AromaticContact CD1-CZ 3.36Å; F248-F252 HydrophobicContact CD1-CZ 3.36Å; F248-F252 HydrophobicContact CE1-CE1 4.36Å; F248-F252 HydrophobicContact CE1-CZ 4.07Å; F248-F252 HydrophobicContact CG-CE2 4.13Å; F248-F252 HydrophobicContact CG-CZ 4.08Å; F248-F252 VanDerWaalsContact O-CB 3.31Å; F248-F252 WeakPolarHBondContact O-CB 3.45Å; F248-F252 WeakPolarHBondContact O-CD2 3.4Å; F248-F252 VanDerWaalsContact O-CG 3.28Å; F248-F252 WeakPolarHBondContact O-CG 3.35Å; F248-F252 PolarHBondContact O-N 2.8Å; F252-S254 PolarHBondContact O-N 3.49Å; F252-V272 HydrophobicContact CE2-CG1 4.09Å; F252-V272 HydrophobicContact CZ-CG1 4.07Å; F252-F275 HydrophobicContact CD2-CB 4.1Å; F252-F276 HydrophobicContact CD1-CD2 4.23Å; F252-F276 HydrophobicContact CE1-CB 3.98Å; F252-F276 AromaticContact CE1-CD2 3.59Å; F252-F276 HydrophobicContact CE1-CD2 3.59Å; F252-F276 HydrophobicContact CE1-CE2 4.27Å; F252-F276 AromaticContact CE1-CG 3.89Å; F252-F276 HydrophobicContact CE1-CG 3.89Å; F252-F276 HydrophobicContact CE2-CB 3.79Å; F252-F276 HydrophobicContact CZ-CB 3.47Å; F252-F276 VanDerWaalsContact CZ-CB 3.47Å; F252-F276 AromaticContact CZ-CD2 3.98Å; F252-F276 HydrophobicContact CZ-CD2 3.98Å; F252-F276 AromaticContact CZ-CG 3.77Å; F252-F276 HydrophobicContact CZ-CG 3.77Å; F252-S279 PolarHBondContact O-OG 3.01Å; F252-S281 PolarHBondContact O-OG 3.33Å; F252-F282 HydrophobicContact CD1-CB 4.21Å; F252-F282 AromaticContact CD1-CD1 3.66Å; F252-F282 HydrophobicContact CD1-CD1 3.66Å; F252-F282 HydrophobicContact CD1-CE1 4.39Å; F252-F282 HydrophobicContact CD1-CG 4.18Å; F252-F282 AromaticContact CE1-CD1 3.66Å; F252-F282 HydrophobicContact CE1-CD1 3.66Å; F252-F282 HydrophobicContact CE1-CE1 4.02Å; F252-L327 HydrophobicContact CE1-CD2 4.41Å; F252-L327 HydrophobicContact CZ-CD2 3.8Å
253R93.1Very high94.2Very high208 Ų20853.2 Ų53.279%0.78524%0.243SC*.THydrogen-bonded Turntrans5437-172-52.1-176.9-177.4-169.40.3113.2S249 R250 I251S249-R253 CarbonylContact O-C 3.5Å; S249-R253 VanDerWaalsContact O-CA 3.27Å; S249-R253 WeakPolarHBondContact O-CA 3.37Å; S249-R253 PolarHBondContact O-N 3.09Å; R250-R253 PolarHBondContact O-N 2.89Å; I251-R253 VanDerWaalsContact C-N 3.33Å
254S93.1Very high93.8Very high33 Ų3352.4 Ų52.423%0.23124%0.239CC..  trans-97.9162.6178.4590000111.9S249 F252 Q256 M259S249-S254 PolarHBondContact O-N 3.09Å; F252-S254 PolarHBondContact O-N 3.49Å; S254-Q256 PolarHBondContact O-N 3.5Å; S254-M259 PolarHBondContact OG-SD 2.94Å
255N93.9Very high93.3Very high79 Ų7958.1 Ų58.142%0.42227%0.266SS..  trans-68.6124.5174.6-176.27.3000110.7E257 D258 M259N255-E257 VanDerWaalsContact C-N 3.26Å; N255-E257 PolarHBondContact O-N 3.39Å; N255-E257 PolarHBondContact OD1-N 2.84Å; N255-D258 HydrophobicContact CB-CB 4.36Å; N255-D258 VanDerWaalsContact CB-OD2 3.27Å; N255-D258 WeakPolarHBondContact CB-OD2 3.46Å; N255-D258 PolarHBondContact ND2-OD2 2.83Å; N255-M259 PolarHBondContact O-N 2.79Å
256Q93.9Very high92.7Very high83 Ų8358.9 Ų58.939%0.38827%0.273SS..Hα-helixtrans-63.9-31.8177.7-166.5-173.9-30.900112V245 S254 M259 V260V245-Q256 HydrophobicContact CG1-CG 4.1Å; S254-Q256 PolarHBondContact O-N 3.5Å; Q256-M259 PolarHBondContact O-N 2.9Å; Q256-V260 VanDerWaalsContact O-CG2 3.3Å; Q256-V260 WeakPolarHBondContact O-CG2 3.4Å; Q256-V260 PolarHBondContact O-N 3.48Å
257E92Very high92.4Very high152 Ų15257 Ų5771%0.7127%0.266SS*.Hα-helixtrans-70-41.4-178-60-170.5154.800112.2N255 M259 V260 R261N255-E257 VanDerWaalsContact C-N 3.26Å; N255-E257 PolarHBondContact O-N 3.39Å; N255-E257 PolarHBondContact OD1-N 2.84Å; E257-M259 VanDerWaalsContact C-N 3.34Å; E257-M259 PolarHBondContact O-N 3.11Å; E257-V260 PolarHBondContact O-N 3.17Å; E257-V260 VanDerWaalsContact O-N 3.17Å; E257-R261 PolarHBondContact O-N 3.11Å
258D93.6Very high92.3Very high47 Ų4757.1 Ų57.125%0.25127%0.267SS..Hα-helixtrans-63.8-39175.4-67.9-63.5000111.4N255 R261 D262 F275N255-D258 HydrophobicContact CB-CB 4.36Å; N255-D258 VanDerWaalsContact CB-OD2 3.27Å; N255-D258 WeakPolarHBondContact CB-OD2 3.46Å; N255-D258 PolarHBondContact ND2-OD2 2.83Å; D258-R261 PolarHBondContact O-N 3.06Å; D258-R261 IonicContact OD1-CZ 3.32Å; D258-R261 IonicContact OD1-NH1 3.6Å; D258-R261 PolarHBondContact OD1-NH1 2.9Å; D258-R261 IonicContact OD1-NH2 2.63Å; D258-R261 PolarHBondContact OD1-NH2 3.4Å; D258-D262 PolarHBondContact O-N 2.97Å; D258-F275 HydrophobicContact CB-CE1 3.95Å; D258-F275 HydrophobicContact CB-CZ 3.91Å
259M94.2Very high92.2Very high0 Ų057.2 Ų57.20%027%0.267CS..Hα-helixtrans-67-35.2172.4-67.1-172.77500112.9V245 F248 S254 N255 Q256 E257 R261 L263 T271 V272 F275V245-M259 HydrophobicContact CG1-CB 3.48Å; V245-M259 VanDerWaalsContact CG1-CB 3.48Å; V245-M259 HydrophobicContact CG1-SD 4.44Å; V245-M259 HydrophobicContact CG2-CB 4.45Å; F248-M259 HydrophobicContact CB-CE 4.2Å; S254-M259 PolarHBondContact OG-SD 2.94Å; N255-M259 PolarHBondContact O-N 2.79Å; Q256-M259 PolarHBondContact O-N 2.9Å; E257-M259 VanDerWaalsContact C-N 3.34Å; E257-M259 PolarHBondContact O-N 3.11Å; M259-R261 VanDerWaalsContact C-N 3.34Å; M259-L263 WeakPolarHBondContact O-CB 3.36Å; M259-L263 PolarHBondContact O-N 3.11Å; M259-T271 HydrophobicContact CB-CG2 4.12Å; M259-T271 HydrophobicContact CE-CG2 4.16Å; M259-T271 WeakPolarHBondContact O-CG2 3.47Å; M259-V272 HydrophobicContact CE-CG2 4.38Å; M259-F275 HydrophobicContact CB-CE2 4.38Å; M259-F275 HydrophobicContact CB-CZ 4.35Å; M259-F275 HydrophobicContact CE-CB 4.06Å; M259-F275 HydrophobicContact CE-CD2 4.47Å; M259-F275 HydrophobicContact CE-CG 4.26Å; M259-F275 HydrophobicContact CG-CB 4.26Å; M259-F275 HydrophobicContact CG-CD1 3.46Å; M259-F275 VanDerWaalsContact CG-CD1 3.46Å; M259-F275 HydrophobicContact CG-CD2 3.72Å; M259-F275 HydrophobicContact CG-CE1 3.56Å; M259-F275 HydrophobicContact CG-CE2 3.82Å; M259-F275 HydrophobicContact CG-CG 3.54Å; M259-F275 HydrophobicContact CG-CZ 3.74Å; M259-F275 HydrophobicContact SD-CB 4.19Å; M259-F275 HydrophobicContact SD-CD1 4.22Å; M259-F275 HydrophobicContact SD-CG 4.11Å
260V91.8Very high92.1Very high57 Ų5759 Ų5935%0.34528%0.275SS..Hα-helixtrans-70-31.9174.5167.90000111.5V245 Q256 E257V245-V260 HydrophobicContact CG1-CG2 3.91Å; Q256-V260 VanDerWaalsContact O-CG2 3.3Å; Q256-V260 WeakPolarHBondContact O-CG2 3.4Å; Q256-V260 PolarHBondContact O-N 3.48Å; E257-V260 PolarHBondContact O-N 3.17Å; E257-V260 VanDerWaalsContact O-N 3.17Å
261R90.2Very high92.1Very high149 Ų14954.3 Ų54.356%0.56226%0.257SS*.Hα-helixtrans-68.9-45.2173.1-173.8178.768.7-135.8-7.9111.8E257 D258 M259 L263 E264E257-R261 PolarHBondContact O-N 3.11Å; D258-R261 PolarHBondContact O-N 3.06Å; D258-R261 IonicContact OD1-CZ 3.32Å; D258-R261 IonicContact OD1-NH1 3.6Å; D258-R261 PolarHBondContact OD1-NH1 2.9Å; D258-R261 IonicContact OD1-NH2 2.63Å; D258-R261 PolarHBondContact OD1-NH2 3.4Å; M259-R261 VanDerWaalsContact C-N 3.34Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-L263 PolarHBondContact O-N 2.88Å; R261-E264 VanDerWaalsContact O-CB 3.27Å; R261-E264 WeakPolarHBondContact O-CB 3.38Å; R261-E264 VanDerWaalsContact O-CG 3.24Å; R261-E264 WeakPolarHBondContact O-CG 3.34Å; R261-E264 PolarHBondContact O-N 2.91Å
262D90.9Very high92.2Very high41 Ų4153.8 Ų53.822%0.21926%0.255CS..Hα-helixtrans-64.2-35175-178.877.4000112.3D258 E264 Q265 T271 F275D258-D262 PolarHBondContact O-N 2.97Å; D262-E264 PolarHBondContact O-N 2.92Å; D262-Q265 WeakPolarHBondContact O-CB 3.45Å; D262-Q265 WeakPolarHBondContact O-CG 3.33Å; D262-Q265 PolarHBondContact O-N 3.42Å; D262-T271 HydrophobicContact CB-CG2 4.11Å; D262-T271 WeakPolarHBondContact OD2-CA 3.45Å; D262-T271 WeakPolarHBondContact OD2-CB 3.45Å; D262-T271 WeakPolarHBondContact OD2-CG2 3.39Å; D262-T271 PolarHBondContact OD2-OG1 3.38Å; D262-F275 HydrophobicContact CB-CE2 3.99Å
263L89.4Confident92.2Very high27 Ų2756.2 Ų56.214%0.14126%0.264CS..G310 helixtrans-59.2-15.5175.9-178.460.1000114.1D241 V245 M259 R261 Q265 G266 V268D241-L263 HydrophobicContact CB-CD1 4.23Å; D241-L263 HydrophobicContact CB-CD2 3.88Å; V245-L263 HydrophobicContact CG2-CD2 4.01Å; M259-L263 WeakPolarHBondContact O-CB 3.36Å; M259-L263 PolarHBondContact O-N 3.11Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-L263 PolarHBondContact O-N 2.88Å; L263-Q265 PolarHBondContact O-N 2.82Å; L263-G266 PolarHBondContact O-N 3.25Å; L263-V268 HydrophobicContact CD1-CB 3.69Å; L263-V268 HydrophobicContact CD1-CG2 4.22Å
264E85.3Confident92.3Very high37 Ų3748.6 Ų48.617%0.17324%0.238CC..G310 helixtrans-59.4-26.2169.6-61.7-179141.500112.6R261 D262 G266 Y617 G624 K667R261-E264 VanDerWaalsContact O-CB 3.27Å; R261-E264 WeakPolarHBondContact O-CB 3.38Å; R261-E264 VanDerWaalsContact O-CG 3.24Å; R261-E264 WeakPolarHBondContact O-CG 3.34Å; R261-E264 PolarHBondContact O-N 2.91Å; D262-E264 PolarHBondContact O-N 2.92Å; E264-G266 PolarHBondContact O-N 2.86Å; E264-Y617 HydrophobicContact CB-CD2 4.12Å; E264-Y617 HydrophobicContact CB-CE2 3.96Å; E264-Y617 HydrophobicContact CB-CG 4.49Å; E264-Y617 HydrophobicContact CG-CD2 4.11Å; E264-Y617 HydrophobicContact CG-CE2 3.89Å; E264-Y617 WeakPolarHBondContact OE1-CE2 2.94Å; E264-G624 WeakPolarHBondContact O-CA 3.38Å; E264-G624 PolarHBondContact O-N 3.19Å; E264-K667 VanDerWaalsContact OE1-CE 3.29Å; E264-K667 WeakPolarHBondContact OE1-CE 3.23Å; E264-K667 IonicContact OE1-NZ 3.23Å; E264-K667 PolarHBondContact OE1-NZ 2.85Å; E264-K667 IonicContact OE2-NZ 2.69Å; E264-K667 PolarHBondContact OE2-NZ 3.45Å
265Q85.8Confident92.5Very high121 Ų12148.2 Ų48.257%0.56523%0.232SC*.G310 helixtrans-68.8-7.3172-54.3-57.5-19.500113.3D262 L263 D267 G623D262-Q265 WeakPolarHBondContact O-CB 3.45Å; D262-Q265 WeakPolarHBondContact O-CG 3.33Å; D262-Q265 PolarHBondContact O-N 3.42Å; L263-Q265 PolarHBondContact O-N 2.82Å; Q265-D267 PolarHBondContact O-N 2.83Å; Q265-G623 WeakPolarHBondContact O-CA 3.47Å
266G84.6Confident92.6Very high15 Ų1544.4 Ų44.416%0.15521%0.212CC..SBendtrans78.217167.800000116.2L263 E264 G620L263-G266 PolarHBondContact O-N 3.25Å; E264-G266 PolarHBondContact O-N 2.86Å; G266-G620 PolarHBondContact O-N 3.35Å
267D90.9Very high92.7Very high24 Ų2444.8 Ų44.813%0.12821%0.214CC..  trans-133.492.1170.5-162.2-14.4000113.4Q265 S269 E270 T271 R332 K339Q265-D267 PolarHBondContact O-N 2.83Å; D267-S269 VanDerWaalsContact CG-OG 3.26Å; D267-S269 PolarHBondContact O-N 2.95Å; D267-S269 VanDerWaalsContact O-N 3.07Å; D267-S269 WeakPolarHBondContact OD1-CA 3.47Å; D267-S269 WeakPolarHBondContact OD1-CB 3.26Å; D267-S269 PolarHBondContact OD1-N 2.89Å; D267-S269 PolarHBondContact OD1-OG 2.77Å; D267-S269 PolarHBondContact OD2-OG 3.15Å; D267-E270 HydrophobicContact CB-CB 3.99Å; D267-E270 WeakPolarHBondContact O-CA 3.43Å; D267-E270 WeakPolarHBondContact O-CB 3.41Å; D267-E270 PolarHBondContact O-N 3.05Å; D267-T271 PolarHBondContact O-N 3.4Å; D267-T271 VanDerWaalsContact O-N 3.07Å; D267-T271 PolarHBondContact O-OG1 3.2Å; D267-R332 IonicContact OD2-CZ 2.96Å; D267-R332 IonicContact OD2-NE 2.73Å; D267-R332 IonicContact OD2-NH2 3.25Å; D267-R332 PolarHBondContact OD2-NH2 2.99Å; D267-K339 VanDerWaalsContact CB-NZ 3.26Å; D267-K339 IonicContact OD1-NZ 2.69Å; D267-K339 WeakPolarHBondContact OD2-CD 3.42Å; D267-K339 VanDerWaalsContact OD2-CE 3.26Å; D267-K339 WeakPolarHBondContact OD2-CE 3.3Å; D267-K339 IonicContact OD2-NZ 3.17Å; D267-K339 PolarHBondContact OD2-NZ 3.37Å
268V94.7Very high92.8Very high5 Ų543.3 Ų43.33%0.0321%0.207CC..Hα-helixtrans-58.7-21.4174.570.20000113.7I244 V245 L263 E270 V272 I331 K335I244-V268 HydrophobicContact CB-CG2 4.03Å; I244-V268 HydrophobicContact CD1-CG1 4.42Å; I244-V268 HydrophobicContact CG2-CG2 3.69Å; V245-V268 HydrophobicContact CG2-CG2 3.99Å; L263-V268 HydrophobicContact CD1-CB 3.69Å; L263-V268 HydrophobicContact CD1-CG2 4.22Å; V268-E270 VanDerWaalsContact C-N 3.35Å; V268-V272 HydrophobicContact CG2-CG2 4.31Å; V268-V272 WeakPolarHBondContact O-CB 3.41Å; V268-V272 VanDerWaalsContact O-CG2 3.26Å; V268-V272 WeakPolarHBondContact O-CG2 3.47Å; V268-V272 PolarHBondContact O-N 3.5Å; V268-I331 HydrophobicContact CG1-CG2 3.99Å; V268-K335 HydrophobicContact CG1-CD 3.85Å; V268-K335 HydrophobicContact CG1-CG 3.81Å
269S95.3Very high92.7Very high1 Ų141.6 Ų41.61%0.00720%0.199CC..Hα-helixtrans-78.5-19.7174.173.30000113.6D267 K328 R332D267-S269 VanDerWaalsContact CG-OG 3.26Å; D267-S269 PolarHBondContact O-N 2.95Å; D267-S269 VanDerWaalsContact O-N 3.07Å; D267-S269 WeakPolarHBondContact OD1-CA 3.47Å; D267-S269 WeakPolarHBondContact OD1-CB 3.26Å; D267-S269 PolarHBondContact OD1-N 2.89Å; D267-S269 PolarHBondContact OD1-OG 2.77Å; D267-S269 PolarHBondContact OD2-OG 3.15Å; S269-K328 WeakPolarHBondContact CB-O 3.17Å; S269-K328 WeakPolarHBondContact O-CG 3.49Å; S269-R332 WeakPolarHBondContact OG-CG 3.5Å; S269-R332 PolarHBondContact OG-NE 2.95Å
270E94.8Very high92.6Very high47 Ų4751.4 Ų51.422%0.2224%0.241CC..Hα-helixtrans-83.5-46.2170.1-156.464.5-136.800110.2D267 V268 V272 R273 I274 K328D267-E270 HydrophobicContact CB-CB 3.99Å; D267-E270 WeakPolarHBondContact O-CA 3.43Å; D267-E270 WeakPolarHBondContact O-CB 3.41Å; D267-E270 PolarHBondContact O-N 3.05Å; V268-E270 VanDerWaalsContact C-N 3.35Å; E270-V272 VanDerWaalsContact C-N 3.34Å; E270-V272 PolarHBondContact O-N 2.97Å; E270-R273 WeakPolarHBondContact O-CA 3.49Å; E270-R273 WeakPolarHBondContact O-CB 3.18Å; E270-R273 PolarHBondContact O-N 3.24Å; E270-R273 IonicContact OE1-CZ 2.77Å; E270-R273 IonicContact OE1-NE 3.24Å; E270-R273 PolarHBondContact OE1-NE 2.95Å; E270-R273 IonicContact OE1-NH2 3.38Å; E270-R273 PolarHBondContact OE1-NH2 2.95Å; E270-I274 HydrophobicContact CG-CD1 4.19Å; E270-I274 WeakPolarHBondContact O-CG1 3.44Å; E270-I274 PolarHBondContact O-N 3.35Å; E270-K328 VanDerWaalsContact CD-NZ 3.35Å; E270-K328 IonicContact OE1-NZ 3.41Å; E270-K328 PolarHBondContact OE1-NZ 2.99Å; E270-K328 WeakPolarHBondContact OE2-CE 3.46Å; E270-K328 IonicContact OE2-NZ 2.77Å; E270-K328 PolarHBondContact OE2-NZ 3.19Å
271T95.4Very high92.5Very high0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-52-50.5173.3-510000111.6V245 M259 D262 D267 R273 I274 F275V245-T271 HydrophobicContact CG2-CG2 4.43Å; M259-T271 HydrophobicContact CB-CG2 4.12Å; M259-T271 HydrophobicContact CE-CG2 4.16Å; M259-T271 WeakPolarHBondContact O-CG2 3.47Å; D262-T271 HydrophobicContact CB-CG2 4.11Å; D262-T271 WeakPolarHBondContact OD2-CA 3.45Å; D262-T271 WeakPolarHBondContact OD2-CB 3.45Å; D262-T271 WeakPolarHBondContact OD2-CG2 3.39Å; D262-T271 PolarHBondContact OD2-OG1 3.38Å; D267-T271 PolarHBondContact O-N 3.4Å; D267-T271 VanDerWaalsContact O-N 3.07Å; D267-T271 PolarHBondContact O-OG1 3.2Å; T271-R273 PolarHBondContact O-N 3.05Å; T271-I274 PolarHBondContact O-N 2.73Å; T271-F275 HydrophobicContact CG2-CD2 4.16Å; T271-F275 HydrophobicContact CG2-CE2 4.25Å; T271-F275 WeakPolarHBondContact O-CD2 3.5Å; T271-F275 PolarHBondContact O-N 2.99Å
272V96.8Very high92.7Very high0 Ų045.7 Ų45.70%022%0.224CC..Hα-helixtrans-66.3-25.5177.6172.40000112.1I244 F248 F252 M259 V268 E270 F276 L327 I331I244-V272 HydrophobicContact CG2-CG2 3.9Å; F248-V272 HydrophobicContact CB-CG2 4.26Å; F248-V272 HydrophobicContact CD1-CG1 4.19Å; F248-V272 HydrophobicContact CD2-CG1 4.03Å; F248-V272 HydrophobicContact CD2-CG2 3.89Å; F248-V272 HydrophobicContact CE1-CG1 4.43Å; F248-V272 HydrophobicContact CE2-CG1 4.3Å; F248-V272 HydrophobicContact CG-CG1 3.98Å; F248-V272 HydrophobicContact CG-CG2 4.18Å; F248-V272 HydrophobicContact CZ-CG1 4.48Å; F252-V272 HydrophobicContact CE2-CG1 4.09Å; F252-V272 HydrophobicContact CZ-CG1 4.07Å; M259-V272 HydrophobicContact CE-CG2 4.38Å; V268-V272 HydrophobicContact CG2-CG2 4.31Å; V268-V272 WeakPolarHBondContact O-CB 3.41Å; V268-V272 VanDerWaalsContact O-CG2 3.26Å; V268-V272 WeakPolarHBondContact O-CG2 3.47Å; V268-V272 PolarHBondContact O-N 3.5Å; E270-V272 VanDerWaalsContact C-N 3.34Å; E270-V272 PolarHBondContact O-N 2.97Å; V272-F276 WeakPolarHBondContact O-CB 3.4Å; V272-F276 PolarHBondContact O-N 3.47Å; V272-L327 HydrophobicContact CG1-CD2 3.62Å; V272-L327 HydrophobicContact CG1-CG 3.96Å; V272-I331 HydrophobicContact CB-CG1 4.2Å; V272-I331 HydrophobicContact CG1-CD1 4.32Å; V272-I331 HydrophobicContact CG1-CG1 3.9Å
273R96.8Very high92.8Very high55 Ų5548.2 Ų48.221%0.20824%0.242CC..Hα-helixtrans-71.4-49.7173.4-171.6-17565.884.97111.7E270 T271 F276 E277 K328E270-R273 WeakPolarHBondContact O-CA 3.49Å; E270-R273 WeakPolarHBondContact O-CB 3.18Å; E270-R273 PolarHBondContact O-N 3.24Å; E270-R273 IonicContact OE1-CZ 2.77Å; E270-R273 IonicContact OE1-NE 3.24Å; E270-R273 PolarHBondContact OE1-NE 2.95Å; E270-R273 IonicContact OE1-NH2 3.38Å; E270-R273 PolarHBondContact OE1-NH2 2.95Å; T271-R273 PolarHBondContact O-N 3.05Å; R273-F276 PolarHBondContact O-N 3.38Å; R273-E277 WeakPolarHBondContact CD-OE1 3.49Å; R273-E277 VanDerWaalsContact CG-OE1 3.29Å; R273-E277 WeakPolarHBondContact CG-OE1 3.38Å; R273-E277 IonicContact CZ-OE1 2.8Å; R273-E277 IonicContact CZ-OE2 3.23Å; R273-E277 IonicContact NE-OE1 2.8Å; R273-E277 IonicContact NH1-OE1 3.73Å; R273-E277 PolarHBondContact NH1-OE1 3.15Å; R273-E277 IonicContact NH1-OE2 3.68Å; R273-E277 PolarHBondContact NH1-OE2 3.43Å; R273-E277 PolarHBondContact O-N 3.47Å; R273-K328 HydrophobicContact CB-CB 4.31Å; R273-K328 HydrophobicContact CB-CD 4.35Å
274I95.8Very high93.1Very high47 Ų4748.9 Ų48.924%0.24125%0.248CC..Hα-helixtrans-59.6-54.4-175.2-66.4164.8000109.8E270 T271 F276 E277 E278E270-I274 HydrophobicContact CG-CD1 4.19Å; E270-I274 WeakPolarHBondContact O-CG1 3.44Å; E270-I274 PolarHBondContact O-N 3.35Å; T271-I274 PolarHBondContact O-N 2.73Å; I274-F276 PolarHBondContact O-N 3.01Å; I274-E277 PolarHBondContact O-N 3.02Å; I274-E277 VanDerWaalsContact O-N 3.09Å; I274-E278 WeakPolarHBondContact O-CG 3.31Å; I274-E278 PolarHBondContact O-N 3.11Å
275F96.3Very high93.6Very high25 Ų2548.5 Ų48.511%0.1125%0.252CS..Hα-helixtrans-70.2-15.5-178.5-72.9-98.3000113.9F252 D258 M259 D262 T271 S279F252-F275 HydrophobicContact CD2-CB 4.1Å; D258-F275 HydrophobicContact CB-CE1 3.95Å; D258-F275 HydrophobicContact CB-CZ 3.91Å; M259-F275 HydrophobicContact CB-CE2 4.38Å; M259-F275 HydrophobicContact CB-CZ 4.35Å; M259-F275 HydrophobicContact CE-CB 4.06Å; M259-F275 HydrophobicContact CE-CD2 4.47Å; M259-F275 HydrophobicContact CE-CG 4.26Å; M259-F275 HydrophobicContact CG-CB 4.26Å; M259-F275 HydrophobicContact CG-CD1 3.46Å; M259-F275 VanDerWaalsContact CG-CD1 3.46Å; M259-F275 HydrophobicContact CG-CD2 3.72Å; M259-F275 HydrophobicContact CG-CE1 3.56Å; M259-F275 HydrophobicContact CG-CE2 3.82Å; M259-F275 HydrophobicContact CG-CG 3.54Å; M259-F275 HydrophobicContact CG-CZ 3.74Å; M259-F275 HydrophobicContact SD-CB 4.19Å; M259-F275 HydrophobicContact SD-CD1 4.22Å; M259-F275 HydrophobicContact SD-CG 4.11Å; D262-F275 HydrophobicContact CB-CE2 3.99Å; T271-F275 HydrophobicContact CG2-CD2 4.16Å; T271-F275 HydrophobicContact CG2-CE2 4.25Å; T271-F275 WeakPolarHBondContact O-CD2 3.5Å; T271-F275 PolarHBondContact O-N 2.99Å; F275-S279 PolarHBondContact O-N 3.45Å
276F96.4Very high93.9Very high0 Ų047.8 Ų47.80%027%0.266CS..Hα-helixtrans-79.3-39.5169.8-174.3-158.8000111.5F252 V272 R273 I274 E278 S279 F282 P284 C322 L327F252-F276 HydrophobicContact CD1-CD2 4.23Å; F252-F276 HydrophobicContact CE1-CB 3.98Å; F252-F276 AromaticContact CE1-CD2 3.59Å; F252-F276 HydrophobicContact CE1-CD2 3.59Å; F252-F276 HydrophobicContact CE1-CE2 4.27Å; F252-F276 AromaticContact CE1-CG 3.89Å; F252-F276 HydrophobicContact CE1-CG 3.89Å; F252-F276 HydrophobicContact CE2-CB 3.79Å; F252-F276 HydrophobicContact CZ-CB 3.47Å; F252-F276 VanDerWaalsContact CZ-CB 3.47Å; F252-F276 AromaticContact CZ-CD2 3.98Å; F252-F276 HydrophobicContact CZ-CD2 3.98Å; F252-F276 AromaticContact CZ-CG 3.77Å; F252-F276 HydrophobicContact CZ-CG 3.77Å; V272-F276 WeakPolarHBondContact O-CB 3.4Å; V272-F276 PolarHBondContact O-N 3.47Å; R273-F276 PolarHBondContact O-N 3.38Å; I274-F276 PolarHBondContact O-N 3.01Å; F276-E278 VanDerWaalsContact C-N 3.28Å; F276-E278 PolarHBondContact O-N 3.06Å; F276-S279 PolarHBondContact O-N 3.06Å; F276-F282 AromaticContact CD2-CD1 3.97Å; F276-F282 HydrophobicContact CD2-CD1 3.97Å; F276-F282 HydrophobicContact CD2-CE1 4.42Å; F276-F282 WeakPolarHBondContact CD2-O 3.29Å; F276-F282 AromaticContact CE2-CD1 3.56Å; F276-F282 HydrophobicContact CE2-CD1 3.56Å; F276-F282 AromaticContact CE2-CE1 3.74Å; F276-F282 HydrophobicContact CE2-CE1 3.74Å; F276-F282 WeakPolarHBondContact CE2-O 3.4Å; F276-F282 HydrophobicContact CZ-CE1 4.31Å; F276-P284 HydrophobicContact CD1-CG 4.19Å; F276-P284 HydrophobicContact CD2-CG 3.85Å; F276-P284 HydrophobicContact CE1-CB 4.07Å; F276-P284 HydrophobicContact CE1-CG 4.21Å; F276-P284 HydrophobicContact CE2-CB 4.1Å; F276-P284 HydrophobicContact CE2-CG 3.87Å; F276-P284 HydrophobicContact CG-CG 4.02Å; F276-P284 HydrophobicContact CZ-CB 3.87Å; F276-P284 HydrophobicContact CZ-CG 4.07Å; F276-P284 WeakPolarHBondContact O-CD 3.38Å; F276-C322 HydrophobicContact CE1-CB 4.11Å; F276-C322 HydrophobicContact CZ-CB 4.41Å; F276-C322 WeakPolarHBondContact CZ-O 3.34Å; F276-L327 HydrophobicContact CB-CD2 4.47Å; F276-L327 HydrophobicContact CD1-CB 3.94Å; F276-L327 HydrophobicContact CD1-CD2 3.41Å; F276-L327 VanDerWaalsContact CD1-CD2 3.41Å; F276-L327 HydrophobicContact CD1-CG 4.31Å; F276-L327 HydrophobicContact CE1-CB 3.82Å; F276-L327 HydrophobicContact CE1-CD2 3.67Å; F276-L327 HydrophobicContact CE1-CG 4.39Å; F276-L327 HydrophobicContact CG-CD2 4.01Å; F276-L327 HydrophobicContact CZ-CD2 4.42Å
277E94.9Very high94.4Very high90 Ų9054.6 Ų54.642%0.42129%0.292SS..Hα-helixtrans-66.5-30.3174.1-73.3169.7-165.500112.1R273 I274 S324R273-E277 WeakPolarHBondContact CD-OE1 3.49Å; R273-E277 VanDerWaalsContact CG-OE1 3.29Å; R273-E277 WeakPolarHBondContact CG-OE1 3.38Å; R273-E277 IonicContact CZ-OE1 2.8Å; R273-E277 IonicContact CZ-OE2 3.23Å; R273-E277 IonicContact NE-OE1 2.8Å; R273-E277 IonicContact NH1-OE1 3.73Å; R273-E277 PolarHBondContact NH1-OE1 3.15Å; R273-E277 IonicContact NH1-OE2 3.68Å; R273-E277 PolarHBondContact NH1-OE2 3.43Å; R273-E277 PolarHBondContact O-N 3.47Å; I274-E277 PolarHBondContact O-N 3.02Å; I274-E277 VanDerWaalsContact O-N 3.09Å; E277-S324 WeakPolarHBondContact CG-OG 3.3Å; E277-S324 WeakPolarHBondContact OE1-CB 3.39Å; E277-S324 PolarHBondContact OE1-OG 2.99Å; E277-S324 VanDerWaalsContact OE1-OG 3.11Å
278E93.9Very high94.6Very high121 Ų12154.2 Ų54.257%0.56529%0.291SS*.SBendtrans-80.6-19.1175.4-67.6175.2172.200114.2I274 F276 K280I274-E278 WeakPolarHBondContact O-CG 3.31Å; I274-E278 PolarHBondContact O-N 3.11Å; F276-E278 VanDerWaalsContact C-N 3.28Å; F276-E278 PolarHBondContact O-N 3.06Å; E278-K280 PolarHBondContact O-N 3.24Å
279S93.3Very high94.6Very high12 Ų1260 Ų608%0.08432%0.321CS..  trans-77.297-172.1-168.40000113.3F252 F275 F276 S281 F282F252-S279 PolarHBondContact O-OG 3.01Å; F275-S279 PolarHBondContact O-N 3.45Å; F276-S279 PolarHBondContact O-N 3.06Å; S279-S281 PolarHBondContact O-N 3.01Å; S279-S281 PolarHBondContact OG-OG 2.65Å; S279-F282 CarbonylContact O-C 3.53Å; S279-F282 VanDerWaalsContact O-C 3.28Å; S279-F282 PolarHBondContact O-N 2.91Å; S279-F282 PolarHBondContact OG-N 3.35Å
280K90.8Very high94.6Very high206 Ų20660 Ų6090%0.89632%0.321SS*.THydrogen-bonded Turntrans-60.1-23.1169.4-62.4178.7-176.8177.10113.6E278E278-K280 PolarHBondContact O-N 3.24Å
281S91Very high94.7Very high64 Ų6459.1 Ų59.145%0.44832%0.319SS..THydrogen-bonded Turntrans-89.9-18.7-179.577.20000113.8F252 S279F252-S281 PolarHBondContact O-OG 3.33Å; S279-S281 PolarHBondContact O-N 3.01Å; S279-S281 PolarHBondContact OG-OG 2.65Å
282F92.8Very high94.7Very high22 Ų2259.2 Ų59.210%0.09632%0.319CS..SBendtrans-142.169.3-178.9-165.8-90.3000109.1I251 F252 F276 S279 E316 A319 K320I251-F282 HydrophobicContact CG2-CD1 3.99Å; I251-F282 HydrophobicContact CG2-CD2 3.87Å; I251-F282 HydrophobicContact CG2-CE1 3.87Å; I251-F282 HydrophobicContact CG2-CE2 3.71Å; I251-F282 HydrophobicContact CG2-CG 4Å; I251-F282 HydrophobicContact CG2-CZ 3.71Å; F252-F282 HydrophobicContact CD1-CB 4.21Å; F252-F282 AromaticContact CD1-CD1 3.66Å; F252-F282 HydrophobicContact CD1-CD1 3.66Å; F252-F282 HydrophobicContact CD1-CE1 4.39Å; F252-F282 HydrophobicContact CD1-CG 4.18Å; F252-F282 AromaticContact CE1-CD1 3.66Å; F252-F282 HydrophobicContact CE1-CD1 3.66Å; F252-F282 HydrophobicContact CE1-CE1 4.02Å; F276-F282 AromaticContact CD2-CD1 3.97Å; F276-F282 HydrophobicContact CD2-CD1 3.97Å; F276-F282 HydrophobicContact CD2-CE1 4.42Å; F276-F282 WeakPolarHBondContact CD2-O 3.29Å; F276-F282 AromaticContact CE2-CD1 3.56Å; F276-F282 HydrophobicContact CE2-CD1 3.56Å; F276-F282 AromaticContact CE2-CE1 3.74Å; F276-F282 HydrophobicContact CE2-CE1 3.74Å; F276-F282 WeakPolarHBondContact CE2-O 3.4Å; F276-F282 HydrophobicContact CZ-CE1 4.31Å; S279-F282 CarbonylContact O-C 3.53Å; S279-F282 VanDerWaalsContact O-C 3.28Å; S279-F282 PolarHBondContact O-N 2.91Å; S279-F282 PolarHBondContact OG-N 3.35Å; F282-E316 HydrophobicContact CE2-CG 3.65Å; F282-E316 HydrophobicContact CZ-CG 4.03Å; F282-A319 HydrophobicContact CE1-CB 3.69Å; F282-A319 HydrophobicContact CZ-CB 3.85Å; F282-K320 HydrophobicContact CE2-CG 3.7Å; F282-K320 HydrophobicContact CZ-CB 4.47Å; F282-K320 HydrophobicContact CZ-CG 3.69Å
283P93.6Very high94.6Very high93 Ų9361.5 Ų61.560%0.60433%0.33SS*.PPolyproline II helixtrans-72148.8-172.229-35.8000112.4
284P95.8Very high94.6Very high41 Ų4161.8 Ų61.827%0.26633%0.334SS..PPolyproline II helixtrans-62.9147.4175.4-22.132.9000113.8F276F276-P284 HydrophobicContact CD1-CG 4.19Å; F276-P284 HydrophobicContact CD2-CG 3.85Å; F276-P284 HydrophobicContact CE1-CB 4.07Å; F276-P284 HydrophobicContact CE1-CG 4.21Å; F276-P284 HydrophobicContact CE2-CB 4.1Å; F276-P284 HydrophobicContact CE2-CG 3.87Å; F276-P284 HydrophobicContact CG-CG 4.02Å; F276-P284 HydrophobicContact CZ-CB 3.87Å; F276-P284 HydrophobicContact CZ-CG 4.07Å; F276-P284 WeakPolarHBondContact O-CD 3.38Å
285A95.4Very high94.6Very high30 Ų3059.6 Ų59.625%0.24832%0.323CS..PPolyproline II helixtrans-65.6136.8175.900000111.3K287 C322 T323A285-K287 VanDerWaalsContact C-N 3.26Å; A285-K287 PolarHBondContact O-N 3.32Å; A285-C322 WeakPolarHBondContact CB-O 3.39Å; A285-C322 PolarHBondContact N-O 2.85Å; A285-T323 VanDerWaalsContact O-CG2 3.31Å; A285-T323 WeakPolarHBondContact O-CG2 3.48Å
286A93.7Very high94.6Very high105 Ų10559.1 Ų59.187%0.86832%0.321SS*.SBendtrans-68.6-18.6-174.200000114.9
287K94Very high94.6Very high158 Ų15861 Ų6169%0.68734%0.336SS*.SBendtrans-139.9135.9179-68.5179.3-177.4172.50110.4A285 L289A285-K287 VanDerWaalsContact C-N 3.26Å; A285-K287 PolarHBondContact O-N 3.32Å; K287-L289 HydrophobicContact CB-CD2 4.29Å; K287-L289 HydrophobicContact CB-CG 4.11Å; K287-L289 PolarHBondContact O-N 2.99Å
288S94.7Very high94.7Very high16 Ų1656.9 Ų56.911%0.11232%0.318CS..  trans-76.8102172.1176.10000108.6R182 R185 D326R182-S288 WeakPolarHBondContact CB-OG 3.31Å; R185-S288 PolarHBondContact NH2-OG 3.04Å; R185-S288 VanDerWaalsContact NH2-OG 3.17Å; S288-D326 WeakPolarHBondContact CB-OD2 3.46Å; S288-D326 VanDerWaalsContact OG-CG 3.29Å; S288-D326 PolarHBondContact OG-OD1 2.95Å; S288-D326 PolarHBondContact OG-OD2 3.22Å
289L95.3Very high94.8Very high126 Ų12651.3 Ų51.366%0.6629%0.292SS*.  trans-115.1-8.7-177.3-63.5179.1000113.6K287K287-L289 HydrophobicContact CB-CD2 4.29Å; K287-L289 HydrophobicContact CB-CG 4.11Å; K287-L289 PolarHBondContact O-N 2.99Å
290L96.2Very high94.9Very high2 Ų255.1 Ų55.11%0.0131%0.309CS..  trans-60.7139.6179.6-78.3169.6000112.3F181 E294 V295 I318 K321 I330F181-L290 HydrophobicContact CB-CB 4.16Å; F181-L290 VanDerWaalsContact CB-O 3.24Å; F181-L290 WeakPolarHBondContact CB-O 3.46Å; F181-L290 PolarHBondContact N-O 3.39Å; L290-E294 HydrophobicContact CD2-CB 4.12Å; L290-V295 HydrophobicContact CB-CG2 4.37Å; L290-V295 HydrophobicContact CD1-CG2 4.4Å; L290-I318 HydrophobicContact CD1-CD1 3.92Å; L290-I318 HydrophobicContact CD1-CG1 4.5Å; L290-I318 HydrophobicContact CD2-CD1 3.73Å; L290-K321 HydrophobicContact CD1-CB 4.1Å; L290-K321 HydrophobicContact CD2-CB 3.83Å; L290-K321 HydrophobicContact CD2-CD 3.65Å; L290-K321 HydrophobicContact CD2-CG 4.42Å; L290-K321 HydrophobicContact CG-CB 3.96Å; L290-I330 HydrophobicContact CD1-CD1 4.27Å
291T96.6Very high95.2Very high29 Ų2950.8 Ų50.818%0.17829%0.287CS..BIsolated β-bridgetrans-89.4157169.958.30000112.2C179 Q293 E294 V295C179-T291 CarbonylContact O-C 3.58Å; C179-T291 VanDerWaalsContact O-CA 3.29Å; C179-T291 WeakPolarHBondContact O-CA 3.49Å; T291-Q293 PolarHBondContact O-N 3.15Å; T291-E294 PolarHBondContact N-OE2 3.04Å; T291-E294 PolarHBondContact O-N 3.09Å; T291-E294 WeakPolarHBondContact OG1-CB 3.36Å; T291-E294 VanDerWaalsContact OG1-CG 3.28Å; T291-E294 WeakPolarHBondContact OG1-CG 3.33Å; T291-E294 PolarHBondContact OG1-N 3.05Å; T291-E294 VanDerWaalsContact OG1-N 3.11Å; T291-E294 PolarHBondContact OG1-OE2 2.89Å; T291-V295 WeakPolarHBondContact O-CG2 3.45Å; T291-V295 PolarHBondContact O-N 3.23Å; T291-V295 VanDerWaalsContact O-N 3.16Å
292I95.7Very high95.4Very high1 Ų147.9 Ų47.91%0.00527%0.267CS..Hα-helixtrans-62.8-29.4172.561.8175.6000111.6C179 F181 F184 L223 L227 D296C179-I292 PolarHBondContact O-N 2.7Å; F181-I292 HydrophobicContact CD2-CG2 4.39Å; F184-I292 HydrophobicContact CB-CG2 3.97Å; F184-I292 HydrophobicContact CG-CG2 4.39Å; L223-I292 HydrophobicContact CB-CD1 3.99Å; L227-I292 HydrophobicContact CD1-CB 3.8Å; L227-I292 HydrophobicContact CD1-CG2 4.16Å; I292-D296 WeakPolarHBondContact O-CB 3.38Å; I292-D296 PolarHBondContact O-N 2.86Å
293Q94.8Very high95.5Very high48 Ų4848.3 Ų48.322%0.22428%0.275CS..Hα-helixtrans-66.3-47.1175-66.679.9-5.800111.7C179 L223 T291 D296 A297C179-Q293 PolarHBondContact SG-NE2 3.4Å; C179-Q293 VanDerWaalsContact SG-NE2 3.38Å; L223-Q293 HydrophobicContact CD1-CG 3.82Å; T291-Q293 PolarHBondContact O-N 3.15Å; Q293-D296 PolarHBondContact O-N 3.48Å; Q293-A297 VanDerWaalsContact O-CB 3.3Å; Q293-A297 WeakPolarHBondContact O-CB 3.35Å; Q293-A297 PolarHBondContact O-N 2.7Å
294E95.8Very high95.6Very high62 Ų6251.1 Ų51.129%0.2928%0.28SS..Hα-helixtrans-62-42.2174.9-79.1171.810500112.4L290 T291 A297 S298 K321L290-E294 HydrophobicContact CD2-CB 4.12Å; T291-E294 PolarHBondContact N-OE2 3.04Å; T291-E294 PolarHBondContact O-N 3.09Å; T291-E294 WeakPolarHBondContact OG1-CB 3.36Å; T291-E294 VanDerWaalsContact OG1-CG 3.28Å; T291-E294 WeakPolarHBondContact OG1-CG 3.33Å; T291-E294 PolarHBondContact OG1-N 3.05Å; T291-E294 VanDerWaalsContact OG1-N 3.11Å; T291-E294 PolarHBondContact OG1-OE2 2.89Å; E294-A297 PolarHBondContact O-N 2.96Å; E294-S298 WeakPolarHBondContact O-CB 3.49Å; E294-S298 PolarHBondContact O-N 2.76Å; E294-K321 IonicContact OE1-NZ 2.67Å; E294-K321 PolarHBondContact OE1-NZ 2.83Å
295V96.9Very high95.5Very high1 Ų151 Ų511%0.00628%0.277CS..Hα-helixtrans-65.1-46.3178.3172.20000110.6F181 L290 T291 A297 S298 L299 I330 L333F181-V295 HydrophobicContact CB-CG2 4.39Å; F181-V295 HydrophobicContact CD1-CG2 4.16Å; F181-V295 HydrophobicContact CD2-CB 4.39Å; F181-V295 HydrophobicContact CD2-CG1 4.4Å; F181-V295 HydrophobicContact CD2-CG2 3.95Å; F181-V295 HydrophobicContact CE1-CG2 4.43Å; F181-V295 HydrophobicContact CE2-CB 4.48Å; F181-V295 HydrophobicContact CE2-CG1 4Å; F181-V295 HydrophobicContact CE2-CG2 4.23Å; F181-V295 HydrophobicContact CG-CG2 3.92Å; F181-V295 HydrophobicContact CZ-CG1 4.33Å; F181-V295 HydrophobicContact CZ-CG2 4.46Å; L290-V295 HydrophobicContact CB-CG2 4.37Å; L290-V295 HydrophobicContact CD1-CG2 4.4Å; T291-V295 WeakPolarHBondContact O-CG2 3.45Å; T291-V295 PolarHBondContact O-N 3.23Å; T291-V295 VanDerWaalsContact O-N 3.16Å; V295-A297 VanDerWaalsContact C-N 3.35Å; V295-A297 PolarHBondContact O-N 2.73Å; V295-S298 PolarHBondContact O-N 3.33Å; V295-L299 HydrophobicContact CG1-CD1 4.01Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.27Å; V295-L299 PolarHBondContact O-N 3.05Å; V295-I330 HydrophobicContact CG1-CG1 4.14Å; V295-I330 HydrophobicContact CG2-CD1 4.15Å; V295-I330 HydrophobicContact CG2-CG1 4.44Å; V295-L333 HydrophobicContact CG1-CD1 3.93Å
296D95.9Very high95.3Very high15 Ų1554.6 Ų54.68%0.0830%0.295CS..Hα-helixtrans-64.2-38.9177.5-165.155.8000112.1L223 K226 I292 Q293 L299 M300L223-D296 HydrophobicContact CD2-CB 4.32Å; L223-D296 WeakPolarHBondContact CD2-OD2 3.29Å; K226-D296 WeakPolarHBondContact CE-OD1 3.29Å; K226-D296 IonicContact NZ-OD1 3.46Å; K226-D296 PolarHBondContact NZ-OD1 3.46Å; K226-D296 IonicContact NZ-OD2 3.42Å; K226-D296 PolarHBondContact NZ-OD2 3.45Å; I292-D296 WeakPolarHBondContact O-CB 3.38Å; I292-D296 PolarHBondContact O-N 2.86Å; Q293-D296 PolarHBondContact O-N 3.48Å; D296-L299 PolarHBondContact O-N 2.98Å; D296-M300 WeakPolarHBondContact O-CG 3.33Å; D296-M300 PolarHBondContact O-N 3.36Å; D296-M300 WeakPolarHBondContact OD2-CE 3.46Å
297A96.3Very high95.4Very high38 Ų3855.5 Ų55.531%0.31428%0.28SS..Hα-helixtrans-65.6-38.2174.700000112.9Q293 E294 V295 M300 R301Q293-A297 VanDerWaalsContact O-CB 3.3Å; Q293-A297 WeakPolarHBondContact O-CB 3.35Å; Q293-A297 PolarHBondContact O-N 2.7Å; E294-A297 PolarHBondContact O-N 2.96Å; V295-A297 VanDerWaalsContact C-N 3.35Å; V295-A297 PolarHBondContact O-N 2.73Å; A297-M300 PolarHBondContact O-N 3.26Å; A297-R301 PolarHBondContact O-N 3.25Å; A297-R301 PolarHBondContact O-NH1 3.25Å
298S96.8Very high95.4Very high4 Ų450.6 Ų50.63%0.02826%0.259CS..Hα-helixtrans-65.3-44.3173.2-1790000111.6E294 V295 M300 R301 L302 E314E294-S298 WeakPolarHBondContact O-CB 3.49Å; E294-S298 PolarHBondContact O-N 2.76Å; V295-S298 PolarHBondContact O-N 3.33Å; S298-M300 VanDerWaalsContact C-N 3.35Å; S298-M300 PolarHBondContact O-N 3.22Å; S298-R301 PolarHBondContact O-N 3.37Å; S298-L302 WeakPolarHBondContact O-CB 3.38Å; S298-L302 PolarHBondContact O-N 3.14Å; S298-E314 WeakPolarHBondContact CA-OE1 3.45Å; S298-E314 VanDerWaalsContact CB-OE1 3.29Å; S298-E314 WeakPolarHBondContact CB-OE1 3.23Å; S298-E314 PolarHBondContact OG-OE1 3.28Å
299L96.6Very high95.4Very high4 Ų454.9 Ų54.92%0.02128%0.281CS..Hα-helixtrans-63.4-38174.2-67.5172.8000112L227 Y237 V295 D296 L302 A303 L333 I334L227-L299 HydrophobicContact CD2-CD1 4.19Å; Y237-L299 HydrophobicContact CE1-CB 4.03Å; Y237-L299 HydrophobicContact CE1-CD2 3.94Å; Y237-L299 WeakPolarHBondContact CE1-O 3.32Å; V295-L299 HydrophobicContact CG1-CD1 4.01Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.27Å; V295-L299 PolarHBondContact O-N 3.05Å; D296-L299 PolarHBondContact O-N 2.98Å; L299-L302 PolarHBondContact O-N 2.85Å; L299-A303 WeakPolarHBondContact O-CB 3.16Å; L299-A303 PolarHBondContact O-N 2.71Å; L299-L333 HydrophobicContact CD1-CB 3.95Å; L299-L333 HydrophobicContact CD1-CD1 4.06Å; L299-I334 HydrophobicContact CD2-CD1 4.3Å; L299-I334 HydrophobicContact CD2-CG1 3.56Å
300M95.1Very high95.5Very high93 Ų9352 Ų5246%0.45826%0.264SS..Hα-helixtrans-62.3-44.3173.6-77.3-162.3-168.300112.4D296 A297 S298D296-M300 WeakPolarHBondContact O-CG 3.33Å; D296-M300 PolarHBondContact O-N 3.36Å; D296-M300 WeakPolarHBondContact OD2-CE 3.46Å; A297-M300 PolarHBondContact O-N 3.26Å; S298-M300 VanDerWaalsContact C-N 3.35Å; S298-M300 PolarHBondContact O-N 3.22Å
301R96.7Very high95.5Very high115 Ų11552.1 Ų52.143%0.43427%0.265SS..Hα-helixtrans-62.5-52.1174.3-71.9-171-57.6-83.6-1.8110.8A297 S298 A303 Q304 L305 E314A297-R301 PolarHBondContact O-N 3.25Å; A297-R301 PolarHBondContact O-NH1 3.25Å; S298-R301 PolarHBondContact O-N 3.37Å; R301-A303 PolarHBondContact O-N 3.21Å; R301-A303 VanDerWaalsContact O-N 3.16Å; R301-Q304 WeakPolarHBondContact O-CB 3.3Å; R301-Q304 PolarHBondContact O-N 3.39Å; R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 3.19Å; R301-E314 IonicContact CZ-OE1 2.88Å; R301-E314 IonicContact CZ-OE2 2.96Å; R301-E314 IonicContact NE-OE1 3.22Å; R301-E314 PolarHBondContact NE-OE1 3.2Å; R301-E314 IonicContact NE-OE2 3.09Å; R301-E314 PolarHBondContact NE-OE2 3.03Å; R301-E314 IonicContact NH2-OE1 2.68Å; R301-E314 PolarHBondContact NH2-OE1 3.05Å; R301-E314 IonicContact NH2-OE2 2.67Å; R301-E314 PolarHBondContact NH2-OE2 3.22Å
302L95.9Very high95.5Very high3 Ų352.5 Ų52.52%0.01626%0.264CS..Hα-helixtrans-57.1-33.2-179.1-173.165.4000113Y237 L239 S298 L299 Q304 L305 Q311 E314 L315 I334Y237-L302 HydrophobicContact CD1-CB 4.34Å; Y237-L302 HydrophobicContact CD1-CD2 4.22Å; Y237-L302 HydrophobicContact CD1-CG 4.21Å; L239-L302 HydrophobicContact CD1-CD1 4.31Å; L239-L302 HydrophobicContact CD1-CD2 4.19Å; S298-L302 WeakPolarHBondContact O-CB 3.38Å; S298-L302 PolarHBondContact O-N 3.14Å; L299-L302 PolarHBondContact O-N 2.85Å; L302-Q304 PolarHBondContact O-N 3.03Å; L302-L305 PolarHBondContact O-N 2.84Å; L302-Q311 HydrophobicContact CD1-CB 4.24Å; L302-Q311 HydrophobicContact CD1-CG 4.15Å; L302-E314 HydrophobicContact CB-CG 4.26Å; L302-E314 HydrophobicContact CD1-CB 4.48Å; L302-E314 HydrophobicContact CD1-CG 4.45Å; L302-L315 HydrophobicContact CD1-CG 4.29Å; L302-L315 HydrophobicContact CD2-CD2 3.92Å; L302-I334 HydrophobicContact CD2-CD1 3.61Å; L302-I334 HydrophobicContact CD2-CG1 3.97Å
303A94.4Very high95.6Very high31 Ų3155.4 Ų55.426%0.25629%0.285SS..THydrogen-bonded Turntrans-71.1-13.1175.600000114.7Y237 L299 R301Y237-A303 HydrophobicContact CD1-CB 3.9Å; Y237-A303 HydrophobicContact CE1-CB 4.01Å; L299-A303 WeakPolarHBondContact O-CB 3.16Å; L299-A303 PolarHBondContact O-N 2.71Å; R301-A303 PolarHBondContact O-N 3.21Å; R301-A303 VanDerWaalsContact O-N 3.16Å
304Q94.9Very high95.7Very high152 Ų15254.1 Ų54.171%0.7128%0.279SS*.THydrogen-bonded Turntrans-93.1-19.1173.2-62172.86.300112.2R301 L302R301-Q304 WeakPolarHBondContact O-CB 3.3Å; R301-Q304 PolarHBondContact O-N 3.39Å; L302-Q304 PolarHBondContact O-N 3.03Å
305L94.3Very high95.8Very high39 Ų3951.3 Ų51.320%0.20427%0.266CS..  trans-83.9137.3-175.1-57180000112.2R301 L302 E310 Q311 E314R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 3.19Å; L302-L305 PolarHBondContact O-N 2.84Å; L305-E310 HydrophobicContact CB-CB 4.48Å; L305-E310 HydrophobicContact CD1-CB 4.19Å; L305-E310 WeakPolarHBondContact CD1-O 3.36Å; L305-E310 HydrophobicContact CD2-CB 4.13Å; L305-E310 HydrophobicContact CG-CB 4.48Å; L305-Q311 HydrophobicContact CB-CG 3.77Å; L305-Q311 PolarHBondContact O-NE2 3.24Å; L305-E314 HydrophobicContact CD1-CB 3.85Å; L305-E314 HydrophobicContact CD1-CG 4.47Å
306T91.6Very high95.8Very high104 Ų10454 Ų5464%0.63828%0.278SS*.  trans-125.3-19-179.957.10000114
307K94.4Very high95.9Very high124 Ų12457.4 Ų57.454%0.53930%0.297SS..SBendtrans-87.3145.8176.1-52.2-174.2-158.7132.10111.4D309 E310 Q311K307-D309 PolarHBondContact O-N 2.99Å; K307-E310 HydrophobicContact CB-CB 4.34Å; K307-E310 HydrophobicContact CB-CG 4.05Å; K307-E310 WeakPolarHBondContact CB-OE2 3.34Å; K307-E310 HydrophobicContact CD-CG 4.45Å; K307-E310 WeakPolarHBondContact CD-OE1 3.33Å; K307-E310 WeakPolarHBondContact CE-OE1 3.34Å; K307-E310 WeakPolarHBondContact CG-OE2 3.09Å; K307-E310 IonicContact NZ-OE1 3.27Å; K307-E310 PolarHBondContact NZ-OE1 2.8Å; K307-E310 PolarHBondContact O-N 2.98Å; K307-Q311 WeakPolarHBondContact O-CB 3.41Å; K307-Q311 VanDerWaalsContact O-CG 3.27Å; K307-Q311 WeakPolarHBondContact O-CG 3.41Å; K307-Q311 PolarHBondContact O-N 3.43Å
308E94.1Very high95.9Very high56 Ų5656.1 Ų56.126%0.26228%0.284SS..Hα-helixtrans-62.4-42.4-175.8-168.617197.200112.5K246 L247 R250 Q311 Q312K246-E308 VanDerWaalsContact CE-OE1 3.23Å; K246-E308 WeakPolarHBondContact CE-OE1 3.39Å; K246-E308 WeakPolarHBondContact CE-OE2 3.44Å; K246-E308 IonicContact NZ-OE1 2.58Å; K246-E308 PolarHBondContact NZ-OE1 3.19Å; K246-E308 IonicContact NZ-OE2 4Å; K246-E308 PolarHBondContact NZ-OE2 3.05Å; L247-E308 HydrophobicContact CD2-CG 3.54Å; R250-E308 IonicContact CZ-OE1 3.6Å; R250-E308 VanDerWaalsContact CZ-OE1 3.25Å; R250-E308 IonicContact NH1-OE1 2.74Å; R250-E308 PolarHBondContact NH1-OE1 3.05Å; R250-E308 IonicContact NH2-OE1 2.74Å; R250-E308 PolarHBondContact NH2-OE1 3.08Å; E308-Q311 PolarHBondContact O-N 2.79Å; E308-Q312 WeakPolarHBondContact O-CB 3.35Å; E308-Q312 PolarHBondContact O-N 3.44Å
309D95.4Very high95.9Very high105 Ų10555.9 Ų55.956%0.56128%0.283SS*.Hα-helixtrans-74.4-33.6-176.4-45.5-58.3000112.4K307 Q312 S313K307-D309 PolarHBondContact O-N 2.99Å; D309-Q312 PolarHBondContact O-N 2.8Å; D309-S313 WeakPolarHBondContact O-CB 3.36Å; D309-S313 PolarHBondContact O-N 3.34Å; D309-S313 PolarHBondContact O-OG 3.02Å
310E96.4Very high95.9Very high67 Ų6761 Ų6131%0.31330%0.304SS..Hα-helixtrans-66.6-45.9173.5-64.4170.8171.200110.3L305 K307 S313 E314L305-E310 HydrophobicContact CB-CB 4.48Å; L305-E310 HydrophobicContact CD1-CB 4.19Å; L305-E310 WeakPolarHBondContact CD1-O 3.36Å; L305-E310 HydrophobicContact CD2-CB 4.13Å; L305-E310 HydrophobicContact CG-CB 4.48Å; K307-E310 HydrophobicContact CB-CB 4.34Å; K307-E310 HydrophobicContact CB-CG 4.05Å; K307-E310 WeakPolarHBondContact CB-OE2 3.34Å; K307-E310 HydrophobicContact CD-CG 4.45Å; K307-E310 WeakPolarHBondContact CD-OE1 3.33Å; K307-E310 WeakPolarHBondContact CE-OE1 3.34Å; K307-E310 WeakPolarHBondContact CG-OE2 3.09Å; K307-E310 IonicContact NZ-OE1 3.27Å; K307-E310 PolarHBondContact NZ-OE1 2.8Å; K307-E310 PolarHBondContact O-N 2.98Å; E310-S313 WeakPolarHBondContact O-CB 3.4Å; E310-S313 PolarHBondContact O-N 3.41Å; E310-E314 PolarHBondContact O-N 2.77Å
311Q96.9Very high95.9Very high4 Ų461.6 Ų61.62%0.01931%0.305CS..Hα-helixtrans-62-41.8175-71.9173.7-8.800111.7Y237 L247 L302 L305 K307 E308 S313 L315Y237-Q311 PolarHBondContact O-NE2 2.68Å; L247-Q311 HydrophobicContact CD1-CB 4.06Å; L302-Q311 HydrophobicContact CD1-CB 4.24Å; L302-Q311 HydrophobicContact CD1-CG 4.15Å; L305-Q311 HydrophobicContact CB-CG 3.77Å; L305-Q311 PolarHBondContact O-NE2 3.24Å; K307-Q311 WeakPolarHBondContact O-CB 3.41Å; K307-Q311 VanDerWaalsContact O-CG 3.27Å; K307-Q311 WeakPolarHBondContact O-CG 3.41Å; K307-Q311 PolarHBondContact O-N 3.43Å; E308-Q311 PolarHBondContact O-N 2.79Å; Q311-S313 VanDerWaalsContact C-N 3.31Å; Q311-S313 PolarHBondContact O-N 3.2Å; Q311-L315 WeakPolarHBondContact O-CB 3.43Å; Q311-L315 WeakPolarHBondContact O-CG 2.9Å; Q311-L315 PolarHBondContact O-N 2.88Å
312Q97.2Very high96Very high36 Ų3656.1 Ų56.117%0.16828%0.284CS..Hα-helixtrans-58.4-44.9173.7-161.4179.9-6600111.1L247 I251 E308 D309 L315 E316L247-Q312 HydrophobicContact CD2-CB 3.82Å; L247-Q312 HydrophobicContact CD2-CG 4.05Å; I251-Q312 HydrophobicContact CD1-CG 3.98Å; I251-Q312 HydrophobicContact CG1-CG 3.88Å; E308-Q312 WeakPolarHBondContact O-CB 3.35Å; E308-Q312 PolarHBondContact O-N 3.44Å; D309-Q312 PolarHBondContact O-N 2.8Å; Q312-L315 PolarHBondContact O-N 3.39Å; Q312-E316 VanDerWaalsContact O-CB 3.31Å; Q312-E316 WeakPolarHBondContact O-CB 3.23Å; Q312-E316 PolarHBondContact O-N 2.78Å
313S97.4Very high96.1Very high63 Ų6357 Ų5744%0.44129%0.29SS..Hα-helixtrans-64-45.4-177.6-56.90000112.6D309 E310 Q311 N317D309-S313 WeakPolarHBondContact O-CB 3.36Å; D309-S313 PolarHBondContact O-N 3.34Å; D309-S313 PolarHBondContact O-OG 3.02Å; E310-S313 WeakPolarHBondContact O-CB 3.4Å; E310-S313 PolarHBondContact O-N 3.41Å; Q311-S313 VanDerWaalsContact C-N 3.31Å; Q311-S313 PolarHBondContact O-N 3.2Å; S313-N317 WeakPolarHBondContact O-CB 3.23Å; S313-N317 PolarHBondContact O-N 2.65Å; S313-N317 PolarHBondContact O-ND2 2.62Å; S313-N317 VanDerWaalsContact O-ND2 3.16Å
314E97.6Very high96.1Very high21 Ų2156.2 Ų56.210%0.09828%0.282CS..Hα-helixtrans-66.8-41175.9179.463.7-142.600111.6S298 R301 L302 L305 E310 N317 I318S298-E314 WeakPolarHBondContact CA-OE1 3.45Å; S298-E314 VanDerWaalsContact CB-OE1 3.29Å; S298-E314 WeakPolarHBondContact CB-OE1 3.23Å; S298-E314 PolarHBondContact OG-OE1 3.28Å; R301-E314 IonicContact CZ-OE1 2.88Å; R301-E314 IonicContact CZ-OE2 2.96Å; R301-E314 IonicContact NE-OE1 3.22Å; R301-E314 PolarHBondContact NE-OE1 3.2Å; R301-E314 IonicContact NE-OE2 3.09Å; R301-E314 PolarHBondContact NE-OE2 3.03Å; R301-E314 IonicContact NH2-OE1 2.68Å; R301-E314 PolarHBondContact NH2-OE1 3.05Å; R301-E314 IonicContact NH2-OE2 2.67Å; R301-E314 PolarHBondContact NH2-OE2 3.22Å; L302-E314 HydrophobicContact CB-CG 4.26Å; L302-E314 HydrophobicContact CD1-CB 4.48Å; L302-E314 HydrophobicContact CD1-CG 4.45Å; L305-E314 HydrophobicContact CD1-CB 3.85Å; L305-E314 HydrophobicContact CD1-CG 4.47Å; E310-E314 PolarHBondContact O-N 2.77Å; E314-N317 PolarHBondContact O-N 2.63Å; E314-I318 PolarHBondContact O-N 3.06Å
315L97.4Very high96.2Very high2 Ų252.7 Ų52.71%0.0127%0.268CS..Hα-helixtrans-63.6-40.6176.1-72.9172.5000112.5L239 L247 F248 I251 L302 Q311 Q312 I318 A319 I334L239-L315 HydrophobicContact CD1-CD1 4.1Å; L247-L315 HydrophobicContact CB-CD1 4.35Å; L247-L315 HydrophobicContact CD1-CD1 3.67Å; F248-L315 HydrophobicContact CE2-CD1 4.07Å; F248-L315 HydrophobicContact CE2-CD2 4.24Å; F248-L315 HydrophobicContact CZ-CB 3.96Å; F248-L315 HydrophobicContact CZ-CD1 4.34Å; F248-L315 HydrophobicContact CZ-CD2 4.06Å; F248-L315 HydrophobicContact CZ-CG 4.35Å; I251-L315 HydrophobicContact CD1-CB 4.21Å; L302-L315 HydrophobicContact CD1-CG 4.29Å; L302-L315 HydrophobicContact CD2-CD2 3.92Å; Q311-L315 WeakPolarHBondContact O-CB 3.43Å; Q311-L315 WeakPolarHBondContact O-CG 2.9Å; Q311-L315 PolarHBondContact O-N 2.88Å; Q312-L315 PolarHBondContact O-N 3.39Å; L315-I318 WeakPolarHBondContact O-CG2 3.27Å; L315-A319 WeakPolarHBondContact O-CB 3.27Å; L315-A319 PolarHBondContact O-N 3.36Å; L315-I334 HydrophobicContact CD2-CD1 3.79Å
316E97.3Very high96.4Very high57 Ų5750.8 Ų50.827%0.26626%0.258SS..Hα-helixtrans-65-44.1175-169.6-175.4131.900111.2I251 F282 Q312 I318 A319 K320I251-E316 HydrophobicContact CD1-CB 4.06Å; I251-E316 HydrophobicContact CG1-CB 4.16Å; I251-E316 HydrophobicContact CG1-CG 4.41Å; I251-E316 HydrophobicContact CG2-CB 4.44Å; I251-E316 HydrophobicContact CG2-CG 4.04Å; F282-E316 HydrophobicContact CE2-CG 3.65Å; F282-E316 HydrophobicContact CZ-CG 4.03Å; Q312-E316 VanDerWaalsContact O-CB 3.31Å; Q312-E316 WeakPolarHBondContact O-CB 3.23Å; Q312-E316 PolarHBondContact O-N 2.78Å; E316-I318 PolarHBondContact O-N 3.05Å; E316-A319 PolarHBondContact O-N 3.43Å; E316-K320 WeakPolarHBondContact O-CG 3.44Å; E316-K320 PolarHBondContact O-N 3.19Å; E316-K320 WeakPolarHBondContact OE1-CE 3.38Å; E316-K320 IonicContact OE1-NZ 2.66Å; E316-K320 PolarHBondContact OE1-NZ 3.31Å
317N96.8Very high96.7Very high88 Ų8845.9 Ų45.947%0.47123%0.228SC..Hα-helixtrans-63.8-38-179.6-75.2-23.7000113.3S313 E314S313-N317 WeakPolarHBondContact O-CB 3.23Å; S313-N317 PolarHBondContact O-N 2.65Å; S313-N317 PolarHBondContact O-ND2 2.62Å; S313-N317 VanDerWaalsContact O-ND2 3.16Å; E314-N317 PolarHBondContact O-N 2.63Å
318I96.9Very high96.8Very high10 Ų1041.9 Ų41.95%0.05121%0.211CC..Hα-helixtrans-76.4-38.6173.2-166.862.9000111.8L290 E314 L315 E316 K320 K321 C322 I330L290-I318 HydrophobicContact CD1-CD1 3.92Å; L290-I318 HydrophobicContact CD1-CG1 4.5Å; L290-I318 HydrophobicContact CD2-CD1 3.73Å; E314-I318 PolarHBondContact O-N 3.06Å; L315-I318 WeakPolarHBondContact O-CG2 3.27Å; E316-I318 PolarHBondContact O-N 3.05Å; I318-K320 VanDerWaalsContact C-N 3.34Å; I318-K320 PolarHBondContact O-N 3.46Å; I318-K321 PolarHBondContact O-N 2.98Å; I318-C322 PolarHBondContact O-SG 2.83Å; I318-I330 HydrophobicContact CG1-CD1 3.8Å
319A96.8Very high97Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-65-33.3-179.400000113F248 F282 L315 E316 K321 C322 L327F248-A319 HydrophobicContact CE1-CB 4.19Å; F282-A319 HydrophobicContact CE1-CB 3.69Å; F282-A319 HydrophobicContact CZ-CB 3.85Å; L315-A319 WeakPolarHBondContact O-CB 3.27Å; L315-A319 PolarHBondContact O-N 3.36Å; E316-A319 PolarHBondContact O-N 3.43Å; A319-K321 PolarHBondContact O-N 3.44Å; A319-K321 VanDerWaalsContact O-N 3.1Å; A319-C322 WeakPolarHBondContact O-CB 3.38Å; A319-C322 PolarHBondContact O-N 2.78Å; A319-L327 HydrophobicContact CB-CD1 4Å; A319-L327 HydrophobicContact CB-CD2 4.14Å
320K96.1Very high97.1Very high110 Ų11034.8 Ų34.848%0.47818%0.175SC..THydrogen-bonded Turntrans-55.1-25.2171-78167.4-176.5156.80113.9F282 E316 I318F282-K320 HydrophobicContact CE2-CG 3.7Å; F282-K320 HydrophobicContact CZ-CB 4.47Å; F282-K320 HydrophobicContact CZ-CG 3.69Å; E316-K320 WeakPolarHBondContact O-CG 3.44Å; E316-K320 PolarHBondContact O-N 3.19Å; E316-K320 WeakPolarHBondContact OE1-CE 3.38Å; E316-K320 IonicContact OE1-NZ 2.66Å; E316-K320 PolarHBondContact OE1-NZ 3.31Å; I318-K320 VanDerWaalsContact C-N 3.34Å; I318-K320 PolarHBondContact O-N 3.46Å
321K96.5Very high97.1Very high107 Ų10731.6 Ų31.647%0.46516%0.16SC..THydrogen-bonded Turntrans-95.7-1.6178.4-65.6-176.7169-173.60113.9L290 E294 I318 A319L290-K321 HydrophobicContact CD1-CB 4.1Å; L290-K321 HydrophobicContact CD2-CB 3.83Å; L290-K321 HydrophobicContact CD2-CD 3.65Å; L290-K321 HydrophobicContact CD2-CG 4.42Å; L290-K321 HydrophobicContact CG-CB 3.96Å; E294-K321 IonicContact OE1-NZ 2.67Å; E294-K321 PolarHBondContact OE1-NZ 2.83Å; I318-K321 PolarHBondContact O-N 2.98Å; A319-K321 PolarHBondContact O-N 3.44Å; A319-K321 VanDerWaalsContact O-N 3.1Å
322C97.4Very high97Very high0 Ų033.6 Ų33.60%017%0.167CC..  trans-98.6136.4-168.5-72.20000113.2F276 A285 I318 A319 D326 L327F276-C322 HydrophobicContact CE1-CB 4.11Å; F276-C322 HydrophobicContact CZ-CB 4.41Å; F276-C322 WeakPolarHBondContact CZ-O 3.34Å; A285-C322 WeakPolarHBondContact CB-O 3.39Å; A285-C322 PolarHBondContact N-O 2.85Å; I318-C322 PolarHBondContact O-SG 2.83Å; A319-C322 WeakPolarHBondContact O-CB 3.38Å; A319-C322 PolarHBondContact O-N 2.78Å; C322-D326 HydrophobicContact CB-CB 3.84Å; C322-L327 HydrophobicContact CB-CB 3.96Å
323T97.5Very high97Very high22 Ų2231.9 Ų31.914%0.13516%0.16CC..  trans-66.2159.7147.968.90000108.6A285 N325 D326 L327A285-T323 VanDerWaalsContact O-CG2 3.31Å; A285-T323 WeakPolarHBondContact O-CG2 3.48Å; T323-N325 PolarHBondContact O-N 2.96Å; T323-N325 VanDerWaalsContact O-N 3.09Å; T323-D326 WeakPolarHBondContact CA-OD2 3.42Å; T323-D326 VanDerWaalsContact CB-OD2 3.24Å; T323-D326 WeakPolarHBondContact CB-OD2 3.47Å; T323-D326 WeakPolarHBondContact CG2-OD2 3.41Å; T323-D326 PolarHBondContact N-OD2 2.78Å; T323-D326 WeakPolarHBondContact O-CA 3.46Å; T323-D326 WeakPolarHBondContact O-CB 3.46Å; T323-D326 PolarHBondContact O-N 2.58Å; T323-D326 VanDerWaalsContact OG1-CG 3.26Å; T323-D326 PolarHBondContact OG1-N 3.07Å; T323-D326 VanDerWaalsContact OG1-N 3.15Å; T323-D326 PolarHBondContact OG1-OD2 2.93Å; T323-L327 PolarHBondContact O-N 3.4Å
324S96.3Very high96.9Very high14 Ų1429.1 Ų29.110%0.09814%0.14CC..Hα-helixtrans-53.8-33.7175.4-130000113.1E277 K328E277-S324 WeakPolarHBondContact CG-OG 3.3Å; E277-S324 WeakPolarHBondContact OE1-CB 3.39Å; E277-S324 PolarHBondContact OE1-OG 2.99Å; E277-S324 VanDerWaalsContact OE1-OG 3.11Å; S324-K328 WeakPolarHBondContact O-CB 3.28Å; S324-K328 PolarHBondContact O-N 2.92Å
325N96.3Very high96.7Very high77 Ų7731.8 Ų31.841%0.41215%0.151SC..Hα-helixtrans-75.5-28.8176.3-77.8-65.2000113.5R185 T323 C329R185-N325 WeakPolarHBondContact CD-O 3.47Å; T323-N325 PolarHBondContact O-N 2.96Å; T323-N325 VanDerWaalsContact O-N 3.09Å; N325-C329 PolarHBondContact O-N 3.18Å
326D97.7Very high96.6Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-66.5-51.3168.5-60.9-61.6000109.7F181 R185 S288 C322 T323 K328 C329 I330F181-D326 HydrophobicContact CD1-CB 4.08Å; F181-D326 WeakPolarHBondContact CD1-OD1 3.25Å; F181-D326 HydrophobicContact CE1-CB 4.12Å; F181-D326 WeakPolarHBondContact CE1-O 3.44Å; R185-D326 IonicContact CZ-OD1 3.47Å; R185-D326 VanDerWaalsContact CZ-OD1 3.24Å; R185-D326 IonicContact NH1-OD1 2.71Å; R185-D326 PolarHBondContact NH1-OD1 2.9Å; R185-D326 IonicContact NH2-OD1 3.42Å; R185-D326 PolarHBondContact NH2-OD1 3.38Å; R185-D326 IonicContact NH2-OD2 2.78Å; S288-D326 WeakPolarHBondContact CB-OD2 3.46Å; S288-D326 VanDerWaalsContact OG-CG 3.29Å; S288-D326 PolarHBondContact OG-OD1 2.95Å; S288-D326 PolarHBondContact OG-OD2 3.22Å; C322-D326 HydrophobicContact CB-CB 3.84Å; T323-D326 WeakPolarHBondContact CA-OD2 3.42Å; T323-D326 VanDerWaalsContact CB-OD2 3.24Å; T323-D326 WeakPolarHBondContact CB-OD2 3.47Å; T323-D326 WeakPolarHBondContact CG2-OD2 3.41Å; T323-D326 PolarHBondContact N-OD2 2.78Å; T323-D326 WeakPolarHBondContact O-CA 3.46Å; T323-D326 WeakPolarHBondContact O-CB 3.46Å; T323-D326 PolarHBondContact O-N 2.58Å; T323-D326 VanDerWaalsContact OG1-CG 3.26Å; T323-D326 PolarHBondContact OG1-N 3.07Å; T323-D326 VanDerWaalsContact OG1-N 3.15Å; T323-D326 PolarHBondContact OG1-OD2 2.93Å; D326-K328 PolarHBondContact O-N 2.67Å; D326-C329 WeakPolarHBondContact O-CA 3.43Å; D326-C329 WeakPolarHBondContact O-CB 3.19Å; D326-C329 PolarHBondContact O-N 3.34Å; D326-I330 PolarHBondContact O-N 2.95Å
327L97.6Very high96.3Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-61.1-45.8-176-171.960.2000111.6F248 F252 V272 F276 A319 C322 T323 C329 I330 I331F248-L327 HydrophobicContact CE1-CD1 4.27Å; F248-L327 HydrophobicContact CE1-CD2 3.99Å; F248-L327 HydrophobicContact CZ-CD1 4.05Å; F248-L327 HydrophobicContact CZ-CD2 4.45Å; F252-L327 HydrophobicContact CE1-CD2 4.41Å; F252-L327 HydrophobicContact CZ-CD2 3.8Å; V272-L327 HydrophobicContact CG1-CD2 3.62Å; V272-L327 HydrophobicContact CG1-CG 3.96Å; F276-L327 HydrophobicContact CB-CD2 4.47Å; F276-L327 HydrophobicContact CD1-CB 3.94Å; F276-L327 HydrophobicContact CD1-CD2 3.41Å; F276-L327 VanDerWaalsContact CD1-CD2 3.41Å; F276-L327 HydrophobicContact CD1-CG 4.31Å; F276-L327 HydrophobicContact CE1-CB 3.82Å; F276-L327 HydrophobicContact CE1-CD2 3.67Å; F276-L327 HydrophobicContact CE1-CG 4.39Å; F276-L327 HydrophobicContact CG-CD2 4.01Å; F276-L327 HydrophobicContact CZ-CD2 4.42Å; A319-L327 HydrophobicContact CB-CD1 4Å; A319-L327 HydrophobicContact CB-CD2 4.14Å; C322-L327 HydrophobicContact CB-CB 3.96Å; T323-L327 PolarHBondContact O-N 3.4Å; L327-C329 PolarHBondContact O-N 3.39Å; L327-I330 PolarHBondContact O-N 3.36Å; L327-I331 HydrophobicContact CD1-CD1 4.33Å; L327-I331 HydrophobicContact CD1-CG1 4.47Å; L327-I331 HydrophobicContact CG-CG1 4.39Å; L327-I331 WeakPolarHBondContact O-CG1 3.26Å; L327-I331 PolarHBondContact O-N 3.25Å
328K97.2Very high96.2Very high41 Ų4131 Ų3118%0.17815%0.147CC..Hα-helixtrans-50.1-42.7171.4173.1167168.2175.40112.8S269 E270 R273 S324 D326 R332S269-K328 WeakPolarHBondContact CB-O 3.17Å; S269-K328 WeakPolarHBondContact O-CG 3.49Å; E270-K328 VanDerWaalsContact CD-NZ 3.35Å; E270-K328 IonicContact OE1-NZ 3.41Å; E270-K328 PolarHBondContact OE1-NZ 2.99Å; E270-K328 WeakPolarHBondContact OE2-CE 3.46Å; E270-K328 IonicContact OE2-NZ 2.77Å; E270-K328 PolarHBondContact OE2-NZ 3.19Å; R273-K328 HydrophobicContact CB-CB 4.31Å; R273-K328 HydrophobicContact CB-CD 4.35Å; S324-K328 WeakPolarHBondContact O-CB 3.28Å; S324-K328 PolarHBondContact O-N 2.92Å; D326-K328 PolarHBondContact O-N 2.67Å; K328-R332 WeakPolarHBondContact O-CG 3.23Å; K328-R332 PolarHBondContact O-N 2.92Å; K328-R332 VanDerWaalsContact O-N 3.16Å
329C97.5Very high95.9Very high8 Ų833.2 Ų33.25%0.05416%0.157CC..Hα-helixtrans-71.1-38.2178.6-165.60000112.1F181 N325 D326 L327 R332 L333F181-C329 HydrophobicContact CE1-CB 3.84Å; F181-C329 HydrophobicContact CZ-CB 3.64Å; F181-C329 VanDerWaalsContact CZ-SG 3.55Å; N325-C329 PolarHBondContact O-N 3.18Å; D326-C329 WeakPolarHBondContact O-CA 3.43Å; D326-C329 WeakPolarHBondContact O-CB 3.19Å; D326-C329 PolarHBondContact O-N 3.34Å; L327-C329 PolarHBondContact O-N 3.39Å; C329-R332 WeakPolarHBondContact O-CB 3.33Å; C329-R332 PolarHBondContact O-N 3.12Å; C329-L333 WeakPolarHBondContact O-CG 3.34Å; C329-L333 PolarHBondContact O-N 2.9Å
330I97.7Very high95.7Very high3 Ų333.4 Ų33.42%0.01516%0.158CC..Hα-helixtrans-66.1-43.2175.3-66168.9000111.4F181 L290 V295 I318 D326 L327 R332 L333 I334F181-I330 HydrophobicContact CE1-CD1 4.11Å; F181-I330 HydrophobicContact CE1-CG1 3.67Å; F181-I330 HydrophobicContact CZ-CG1 3.7Å; L290-I330 HydrophobicContact CD1-CD1 4.27Å; V295-I330 HydrophobicContact CG1-CG1 4.14Å; V295-I330 HydrophobicContact CG2-CD1 4.15Å; V295-I330 HydrophobicContact CG2-CG1 4.44Å; I318-I330 HydrophobicContact CG1-CD1 3.8Å; D326-I330 PolarHBondContact O-N 2.95Å; L327-I330 PolarHBondContact O-N 3.36Å; I330-R332 PolarHBondContact O-N 3.12Å; I330-L333 WeakPolarHBondContact O-CB 3.41Å; I330-L333 PolarHBondContact O-N 2.8Å; I330-L333 VanDerWaalsContact O-N 3.11Å; I330-I334 HydrophobicContact CG2-CD1 3.99Å; I330-I334 WeakPolarHBondContact O-CG1 3.44Å; I330-I334 PolarHBondContact O-N 3.22Å
331I97.3Very high95.5Very high1 Ų134 Ų341%0.00517%0.166CC..Hα-helixtrans-59.8-37.5173.7-58.8-51.7000110.8I244 F248 V268 V272 L327 I334 K335I244-I331 HydrophobicContact CG2-CD1 4.27Å; I244-I331 HydrophobicContact CG2-CG2 4.34Å; F248-I331 HydrophobicContact CD2-CD1 4.37Å; F248-I331 HydrophobicContact CE2-CD1 3.49Å; F248-I331 VanDerWaalsContact CE2-CD1 3.49Å; F248-I331 HydrophobicContact CZ-CD1 3.91Å; V268-I331 HydrophobicContact CG1-CG2 3.99Å; V272-I331 HydrophobicContact CB-CG1 4.2Å; V272-I331 HydrophobicContact CG1-CD1 4.32Å; V272-I331 HydrophobicContact CG1-CG1 3.9Å; L327-I331 HydrophobicContact CD1-CD1 4.33Å; L327-I331 HydrophobicContact CD1-CG1 4.47Å; L327-I331 HydrophobicContact CG-CG1 4.39Å; L327-I331 WeakPolarHBondContact O-CG1 3.26Å; L327-I331 PolarHBondContact O-N 3.25Å; I331-I334 HydrophobicContact CD1-CD1 4.32Å; I331-I334 PolarHBondContact O-N 3.46Å; I331-K335 HydrophobicContact CG2-CG 4.26Å; I331-K335 VanDerWaalsContact O-CB 3.23Å; I331-K335 WeakPolarHBondContact O-CB 3.45Å; I331-K335 VanDerWaalsContact O-CG 3.25Å; I331-K335 WeakPolarHBondContact O-CG 3.43Å; I331-K335 PolarHBondContact O-N 2.93Å
332R95.7Very high95.3Very high45 Ų4529.9 Ų29.917%0.1715%0.152CC..Hα-helixtrans-65-38174-77.6-178.7-177.8-163.5-2.1113.8D267 S269 K328 C329 I330 K335 H336 D337 L338D267-R332 IonicContact OD2-CZ 2.96Å; D267-R332 IonicContact OD2-NE 2.73Å; D267-R332 IonicContact OD2-NH2 3.25Å; D267-R332 PolarHBondContact OD2-NH2 2.99Å; S269-R332 WeakPolarHBondContact OG-CG 3.5Å; S269-R332 PolarHBondContact OG-NE 2.95Å; K328-R332 WeakPolarHBondContact O-CG 3.23Å; K328-R332 PolarHBondContact O-N 2.92Å; K328-R332 VanDerWaalsContact O-N 3.16Å; C329-R332 WeakPolarHBondContact O-CB 3.33Å; C329-R332 PolarHBondContact O-N 3.12Å; I330-R332 PolarHBondContact O-N 3.12Å; R332-K335 CarbonylContact O-C 3.45Å; R332-K335 PolarHBondContact O-N 3.01Å; R332-H336 PolarHBondContact O-N 3.38Å; R332-H336 VanDerWaalsContact O-N 3.13Å; R332-D337 VanDerWaalsContact CB-O 3.23Å; R332-D337 WeakPolarHBondContact CB-O 3.5Å; R332-D337 WeakPolarHBondContact CG-O 2.91Å; R332-D337 CarbonylContact O-C 3.57Å; R332-D337 PolarHBondContact O-N 3Å; R332-L338 HydrophobicContact CB-CD2 3.99Å; R332-L338 PolarHBondContact NH1-O 3.09Å
333L96.4Very high95.1Very high1 Ų131.4 Ų31.41%0.00517%0.167CC..Hα-helixtrans-64.4-44.1171.9-67.8168.2000111.6F181 F184 L227 P230 V295 L299 C329 I330 K335 H336 L338F181-L333 HydrophobicContact CE2-CD1 3.87Å; F181-L333 HydrophobicContact CZ-CD1 4Å; F184-L333 HydrophobicContact CZ-CD2 4.4Å; L227-L333 HydrophobicContact CB-CD2 4.4Å; L227-L333 HydrophobicContact CD2-CD1 4.25Å; L227-L333 HydrophobicContact CD2-CD2 4.27Å; L227-L333 VanDerWaalsContact O-CD2 3.23Å; L227-L333 WeakPolarHBondContact O-CD2 3.26Å; P230-L333 HydrophobicContact CB-CD2 4.05Å; P230-L333 HydrophobicContact CG-CD2 4.1Å; V295-L333 HydrophobicContact CG1-CD1 3.93Å; L299-L333 HydrophobicContact CD1-CB 3.95Å; L299-L333 HydrophobicContact CD1-CD1 4.06Å; C329-L333 WeakPolarHBondContact O-CG 3.34Å; C329-L333 PolarHBondContact O-N 2.9Å; I330-L333 WeakPolarHBondContact O-CB 3.41Å; I330-L333 PolarHBondContact O-N 2.8Å; I330-L333 VanDerWaalsContact O-N 3.11Å; L333-K335 VanDerWaalsContact C-N 3.29Å; L333-K335 PolarHBondContact O-N 3.25Å; L333-H336 PolarHBondContact O-N 3Å; L333-H336 VanDerWaalsContact O-N 3.15Å; L333-L338 HydrophobicContact CD2-CD1 4.19Å; L333-L338 HydrophobicContact CD2-CD2 4.04Å; L333-L338 HydrophobicContact CD2-CG 4.35Å; L333-L338 HydrophobicContact CG-CD2 4.22Å
334I96Very high94.8Very high5 Ų531.2 Ų31.23%0.02617%0.168CC..Hα-helixtrans-61.4-38.3173.7-66.4167.4000111Y237 L239 I244 L299 L302 L315 I330 I331 H336Y237-I334 HydrophobicContact CD2-CB 4.27Å; Y237-I334 HydrophobicContact CD2-CG2 3.96Å; Y237-I334 VanDerWaalsContact CD2-O 3.29Å; Y237-I334 WeakPolarHBondContact CD2-O 3.41Å; Y237-I334 HydrophobicContact CE2-CB 4.46Å; Y237-I334 HydrophobicContact CG-CG2 4.22Å; L239-I334 HydrophobicContact CB-CG2 4.46Å; L239-I334 HydrophobicContact CD1-CG2 4.27Å; I244-I334 HydrophobicContact CD1-CG2 4.3Å; L299-I334 HydrophobicContact CD2-CD1 4.3Å; L299-I334 HydrophobicContact CD2-CG1 3.56Å; L302-I334 HydrophobicContact CD2-CD1 3.61Å; L302-I334 HydrophobicContact CD2-CG1 3.97Å; L315-I334 HydrophobicContact CD2-CD1 3.79Å; I330-I334 HydrophobicContact CG2-CD1 3.99Å; I330-I334 WeakPolarHBondContact O-CG1 3.44Å; I330-I334 PolarHBondContact O-N 3.22Å; I331-I334 HydrophobicContact CD1-CD1 4.32Å; I331-I334 PolarHBondContact O-N 3.46Å; I334-H336 PolarHBondContact O-N 3.48Å
335K93.6Very high94.7Very high76 Ų7635.2 Ų35.233%0.3318%0.184SC..THydrogen-bonded Turntrans-75.1-5.9177.3-79.3-59.2-47.8179.70114.9D241 I244 V268 I331 R332 L333 D337D241-K335 WeakPolarHBondContact OD1-CE 3.45Å; D241-K335 IonicContact OD1-NZ 2.76Å; D241-K335 PolarHBondContact OD1-NZ 3.38Å; I244-K335 HydrophobicContact CD1-CD 3.96Å; I244-K335 HydrophobicContact CD1-CG 4.37Å; V268-K335 HydrophobicContact CG1-CD 3.85Å; V268-K335 HydrophobicContact CG1-CG 3.81Å; I331-K335 HydrophobicContact CG2-CG 4.26Å; I331-K335 VanDerWaalsContact O-CB 3.23Å; I331-K335 WeakPolarHBondContact O-CB 3.45Å; I331-K335 VanDerWaalsContact O-CG 3.25Å; I331-K335 WeakPolarHBondContact O-CG 3.43Å; I331-K335 PolarHBondContact O-N 2.93Å; R332-K335 CarbonylContact O-C 3.45Å; R332-K335 PolarHBondContact O-N 3.01Å; L333-K335 VanDerWaalsContact C-N 3.29Å; L333-K335 PolarHBondContact O-N 3.25Å; K335-D337 PolarHBondContact O-N 2.88Å
336H93.9Very high94.6Very high45 Ų4533.2 Ų33.221%0.20817%0.172CC..THydrogen-bonded Turntrans62.719.8-175-51.2-72.7000115.2P230 G231 S235 Y237 R332 L333 I334P230-H336 WeakPolarHBondContact O-CB 3.37Å; P230-H336 PolarHBondContact O-ND1 2.9Å; G231-H336 VanDerWaalsContact CA-O 3.32Å; G231-H336 WeakPolarHBondContact CA-O 3.44Å; G231-H336 PolarHBondContact N-O 3.4Å; S235-H336 PolarHBondContact O-CE1 2.96Å; Y237-H336 AromaticContact CD2-CE1 3.82Å; Y237-H336 AromaticContact CD2-NE2 3.87Å; Y237-H336 AromaticContact CE2-CE1 3.44Å; Y237-H336 VanDerWaalsContact CE2-CE1 3.44Å; Y237-H336 WeakPolarHBondContact CE2-CE1 3.42Å; Y237-H336 AromaticContact CE2-NE2 3.95Å; R332-H336 PolarHBondContact O-N 3.38Å; R332-H336 VanDerWaalsContact O-N 3.13Å; L333-H336 PolarHBondContact O-N 3Å; L333-H336 VanDerWaalsContact O-N 3.15Å; I334-H336 PolarHBondContact O-N 3.48Å
337D92Very high94.5Very high76 Ų7633.2 Ų33.241%0.40617%0.172SC..  trans-147.8111.5-177.2178.920.5000111.3R332 K335 K339R332-D337 VanDerWaalsContact CB-O 3.23Å; R332-D337 WeakPolarHBondContact CB-O 3.5Å; R332-D337 WeakPolarHBondContact CG-O 2.91Å; R332-D337 CarbonylContact O-C 3.57Å; R332-D337 PolarHBondContact O-N 3Å; K335-D337 PolarHBondContact O-N 2.88Å; D337-K339 VanDerWaalsContact C-N 3.27Å; D337-K339 WeakPolarHBondContact OD1-CA 3.33Å; D337-K339 PolarHBondContact OD1-N 2.86Å; D337-K339 WeakPolarHBondContact OD2-CG 3.32Å
338L93.9Very high94.4Very high11 Ų1133.2 Ų33.26%0.05817%0.172CC..  trans-80.2-6.1175.8-73.1163.4000113.5F184 L227 P230 R332 L333 M340F184-L338 HydrophobicContact CZ-CD1 4.14Å; L227-L338 WeakPolarHBondContact O-CD1 3.25Å; P230-L338 HydrophobicContact CG-CD1 4.04Å; P230-L338 HydrophobicContact CG-CG 4.12Å; R332-L338 HydrophobicContact CB-CD2 3.99Å; R332-L338 PolarHBondContact NH1-O 3.09Å; L333-L338 HydrophobicContact CD2-CD1 4.19Å; L333-L338 HydrophobicContact CD2-CD2 4.04Å; L333-L338 HydrophobicContact CD2-CG 4.35Å; L333-L338 HydrophobicContact CG-CD2 4.22Å; L338-M340 HydrophobicContact CB-CE 3.82Å; L338-M340 HydrophobicContact CB-CG 4.3Å; L338-M340 HydrophobicContact CD1-CE 3.68Å; L338-M340 HydrophobicContact CG-CE 4.33Å; L338-M340 PolarHBondContact O-N 3.35Å
339K91.5Very high94.3Very high56 Ų5633.5 Ų33.524%0.24318%0.175CC..SBendtrans55.227.7-174.1-61.9-168.9172.9-171.10114.5D267 D337D267-K339 VanDerWaalsContact CB-NZ 3.26Å; D267-K339 IonicContact OD1-NZ 2.69Å; D267-K339 WeakPolarHBondContact OD2-CD 3.42Å; D267-K339 VanDerWaalsContact OD2-CE 3.26Å; D267-K339 WeakPolarHBondContact OD2-CE 3.3Å; D267-K339 IonicContact OD2-NZ 3.17Å; D267-K339 PolarHBondContact OD2-NZ 3.37Å; D337-K339 VanDerWaalsContact C-N 3.27Å; D337-K339 WeakPolarHBondContact OD1-CA 3.33Å; D337-K339 PolarHBondContact OD1-N 2.86Å; D337-K339 WeakPolarHBondContact OD2-CG 3.32Å
340M92.6Very high94.2Very high4 Ų433.2 Ų33.22%0.0217%0.174CC..SBendtrans-91.3-1.7-179.970.5165.666.900114.5C188 V191 A192 K200 L228 L338 A342C188-M340 HydrophobicContact CB-CE 3.75Å; C188-M340 WeakPolarHBondContact SG-CE 3.22Å; V191-M340 HydrophobicContact CB-CB 4.49Å; V191-M340 HydrophobicContact CB-SD 4.21Å; V191-M340 HydrophobicContact CG1-CB 4.06Å; V191-M340 HydrophobicContact CG1-CG 4.14Å; V191-M340 HydrophobicContact CG1-SD 3.59Å; V191-M340 VanDerWaalsContact CG1-SD 3.59Å; A192-M340 HydrophobicContact CB-CB 4.04Å; K200-M340 PolarHBondContact NZ-O 2.97Å; L228-M340 HydrophobicContact CD2-CE 3.76Å; L228-M340 HydrophobicContact CD2-SD 4.4Å; L338-M340 HydrophobicContact CB-CE 3.82Å; L338-M340 HydrophobicContact CB-CG 4.3Å; L338-M340 HydrophobicContact CD1-CE 3.68Å; L338-M340 HydrophobicContact CG-CE 4.33Å; L338-M340 PolarHBondContact O-N 3.35Å; M340-A342 HydrophobicContact CG-CB 4.05Å; M340-A342 PolarHBondContact O-N 3.36Å; M340-A342 HydrophobicContact SD-CB 3.95Å
341N91.5Very high93.9Very high123 Ų12333.7 Ų33.766%0.65818%0.176SC*.SBendtrans48.942.1-175.4-66.9-26.5000113.6Y197 K200Y197-N341 WeakPolarHBondContact CE1-O 3.33Å; K200-N341 WeakPolarHBondContact CD-O 3.35Å; K200-N341 WeakPolarHBondContact CE-O 3.43Å
342A92.1Very high93.7Very high20 Ų2035.4 Ų35.417%0.16519%0.185CC..  trans-133.7136.5168.300000108.6V191 K200 M340 H346V191-A342 HydrophobicContact CG1-CB 3.91Å; K200-A342 HydrophobicContact CD-CB 4.15Å; M340-A342 HydrophobicContact CG-CB 4.05Å; M340-A342 PolarHBondContact O-N 3.36Å; M340-A342 HydrophobicContact SD-CB 3.95Å; A342-H346 HydrophobicContact CB-CB 4.2Å
343G91.9Very high93.3Very high32 Ų3238.2 Ų38.233%0.3321%0.209SC..  trans-128.4-170.3177.500000110.9K345 H346 V347G343-K345 CarbonylContact O-C 3.49Å; G343-K345 PolarHBondContact O-N 3.44Å; G343-H346 PolarHBondContact O-N 3.19Å; G343-V347 PolarHBondContact O-N 2.91Å
344A92.8Very high93Very high17 Ų1740 Ų4014%0.1422%0.219CC..Hα-helixtrans-35.3-51.6-173.500000114.4V232 L348 Y356V232-A344 HydrophobicContact CG1-CB 4.32Å; V232-A344 HydrophobicContact CG2-CB 4.05Å; A344-L348 HydrophobicContact CB-CD1 4.46Å; A344-L348 VanDerWaalsContact O-CB 3.25Å; A344-L348 WeakPolarHBondContact O-CB 3.39Å; A344-L348 VanDerWaalsContact O-CG 3.26Å; A344-L348 WeakPolarHBondContact O-CG 2.98Å; A344-L348 PolarHBondContact O-N 2.92Å; A344-Y356 HydrophobicContact CB-CD2 4.14Å; A344-Y356 HydrophobicContact CB-CE2 3.82Å
345K93.4Very high92.8Very high99 Ų9939.8 Ų39.843%0.4322%0.218SC..Hα-helixtrans-53.1-64.3178-175.2179.4175.5-174.30112.5G343 V347 L348 D349 Y356G343-K345 CarbonylContact O-C 3.49Å; G343-K345 PolarHBondContact O-N 3.44Å; K345-V347 PolarHBondContact O-N 3.18Å; K345-V347 VanDerWaalsContact O-N 3.12Å; K345-L348 PolarHBondContact O-N 2.79Å; K345-L348 VanDerWaalsContact O-N 3.11Å; K345-D349 WeakPolarHBondContact CE-OD2 3.44Å; K345-D349 WeakPolarHBondContact CG-OD1 3.25Å; K345-D349 VanDerWaalsContact CG-OD2 3.23Å; K345-D349 WeakPolarHBondContact CG-OD2 3.23Å; K345-D349 VanDerWaalsContact O-CB 3.27Å; K345-D349 WeakPolarHBondContact O-CB 3.43Å; K345-D349 PolarHBondContact O-N 2.71Å; K345-D349 VanDerWaalsContact O-OD1 3.09Å; K345-Y356 HydrophobicContact CB-CD1 3.94Å; K345-Y356 HydrophobicContact CB-CD2 4.03Å; K345-Y356 HydrophobicContact CB-CE1 3.85Å; K345-Y356 HydrophobicContact CB-CE2 3.95Å; K345-Y356 HydrophobicContact CB-CG 4.02Å; K345-Y356 HydrophobicContact CD-CD1 4.32Å; K345-Y356 HydrophobicContact CD-CE1 4.21Å; K345-Y356 HydrophobicContact CG-CD1 3.78Å; K345-Y356 HydrophobicContact CG-CE1 3.97Å; K345-Y356 HydrophobicContact CG-CG 4.12Å
346H94.6Very high92.8Very high35 Ų3539.4 Ų39.416%0.16222%0.215CC..Hα-helixtrans-65.7-21.9-170.5-46.6135.2000113.7Y197 T201 A342 G343Y197-H346 AromaticContact CD1-CE1 3.16Å; Y197-H346 WeakPolarHBondContact CD1-CE1 3.33Å; Y197-H346 AromaticContact CD1-ND1 3.49Å; Y197-H346 WeakPolarHBondContact CD1-ND1 3.23Å; Y197-H346 AromaticContact CD1-NE2 3.83Å; Y197-H346 AromaticContact CE1-CE1 3.58Å; Y197-H346 AromaticContact CG-CE1 3.66Å; Y197-H346 AromaticContact CG-NE2 3.86Å; T201-H346 PolarHBondContact OG1-O 2.92Å; A342-H346 HydrophobicContact CB-CB 4.2Å; G343-H346 PolarHBondContact O-N 3.19Å
347V96.1Very high92.6Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-85.2-38.9174.5-171.70000111.6I204 V225 L228 L229 G343 K345 A350I204-V347 HydrophobicContact CD1-CB 4.48Å; I204-V347 HydrophobicContact CD1-CG2 4.01Å; I204-V347 HydrophobicContact CG2-CG1 4.49Å; V225-V347 HydrophobicContact CG1-CG1 4.02Å; L228-V347 HydrophobicContact CB-CG1 3.88Å; L228-V347 HydrophobicContact CB-CG2 4.33Å; L228-V347 HydrophobicContact CD1-CG1 3.76Å; L228-V347 HydrophobicContact CG-CG1 4.48Å; L229-V347 HydrophobicContact CD1-CB 4.17Å; L229-V347 HydrophobicContact CD1-CG1 4.22Å; L229-V347 HydrophobicContact CD2-CB 3.84Å; L229-V347 HydrophobicContact CD2-CG1 4.39Å; L229-V347 HydrophobicContact CD2-CG2 3.54Å; L229-V347 HydrophobicContact CG-CB 4.08Å; L229-V347 HydrophobicContact CG-CG1 4.11Å; L229-V347 HydrophobicContact CG-CG2 4.14Å; G343-V347 PolarHBondContact O-N 2.91Å; K345-V347 PolarHBondContact O-N 3.18Å; K345-V347 VanDerWaalsContact O-N 3.12Å; V347-A350 WeakPolarHBondContact O-CB 3.46Å; V347-A350 PolarHBondContact O-N 2.61Å
348L95.3Very high92.4Very high0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-80.3-37.5-179-67.7171000112.5V225 L229 A344 K345 A350 V351 D352 A355 Y356 F359 L365V225-L348 HydrophobicContact CG1-CD2 4.05Å; L229-L348 HydrophobicContact CD1-CG 4.31Å; A344-L348 HydrophobicContact CB-CD1 4.46Å; A344-L348 VanDerWaalsContact O-CB 3.25Å; A344-L348 WeakPolarHBondContact O-CB 3.39Å; A344-L348 VanDerWaalsContact O-CG 3.26Å; A344-L348 WeakPolarHBondContact O-CG 2.98Å; A344-L348 PolarHBondContact O-N 2.92Å; K345-L348 PolarHBondContact O-N 2.79Å; K345-L348 VanDerWaalsContact O-N 3.11Å; L348-A350 PolarHBondContact O-N 3.5Å; L348-A350 VanDerWaalsContact O-N 3.09Å; L348-V351 WeakPolarHBondContact O-CA 3.39Å; L348-V351 WeakPolarHBondContact O-CB 3.34Å; L348-V351 PolarHBondContact O-N 2.88Å; L348-D352 PolarHBondContact O-N 2.84Å; L348-D352 VanDerWaalsContact O-N 3.09Å; L348-D352 VanDerWaalsContact O-O 3.08Å; L348-A355 HydrophobicContact CB-CB 4.08Å; L348-A355 HydrophobicContact CD2-CB 4.44Å; L348-Y356 HydrophobicContact CD1-CD2 4.28Å; L348-F359 HydrophobicContact CD1-CB 3.66Å; L348-F359 HydrophobicContact CD1-CD1 3.76Å; L348-F359 HydrophobicContact CD1-CG 3.71Å; L348-L365 HydrophobicContact CD2-CD1 3.82Å
349D94.3Very high92.3Very high46 Ų4635.9 Ų35.925%0.24620%0.197CC..THydrogen-bonded Turntrans-55.6-24.9170-67.59.5000111.8T201 K345 Y356T201-D349 HydrophobicContact CG2-CB 3.86Å; K345-D349 WeakPolarHBondContact CE-OD2 3.44Å; K345-D349 WeakPolarHBondContact CG-OD1 3.25Å; K345-D349 VanDerWaalsContact CG-OD2 3.23Å; K345-D349 WeakPolarHBondContact CG-OD2 3.23Å; K345-D349 VanDerWaalsContact O-CB 3.27Å; K345-D349 WeakPolarHBondContact O-CB 3.43Å; K345-D349 PolarHBondContact O-N 2.71Å; K345-D349 VanDerWaalsContact O-OD1 3.09Å; D349-Y356 WeakPolarHBondContact OD1-CB 3.47Å
350A94.8Very high92.3Very high3 Ų333.6 Ų33.63%0.02519%0.188CC..THydrogen-bonded Turntrans-84.3-15176.200000114.2T201 I204 E205 V347 L348T201-A350 HydrophobicContact CG2-CB 3.85Å; T201-A350 WeakPolarHBondContact O-CB 3.07Å; I204-A350 HydrophobicContact CB-CB 3.82Å; I204-A350 HydrophobicContact CG2-CB 3.68Å; E205-A350 HydrophobicContact CB-CB 4.02Å; V347-A350 WeakPolarHBondContact O-CB 3.46Å; V347-A350 PolarHBondContact O-N 2.61Å; L348-A350 PolarHBondContact O-N 3.5Å; L348-A350 VanDerWaalsContact O-N 3.09Å
351V93.3Very high92.1Very high12 Ų1233.4 Ų33.47%0.07319%0.187CC..THydrogen-bonded Turntrans-89-54.5174.8173.80000110L208 L221 V225 L348 I369 V372L208-V351 HydrophobicContact CD1-CG2 3.82Å; L221-V351 HydrophobicContact CD1-CG2 4.49Å; V225-V351 HydrophobicContact CG2-CG2 3.69Å; L348-V351 WeakPolarHBondContact O-CA 3.39Å; L348-V351 WeakPolarHBondContact O-CB 3.34Å; L348-V351 PolarHBondContact O-N 2.88Å; V351-I369 HydrophobicContact CG1-CD1 3.86Å; V351-I369 HydrophobicContact CG2-CD1 4.27Å; V351-V372 HydrophobicContact CG1-CB 4.43Å; V351-V372 HydrophobicContact CG1-CG1 3.95Å; V351-V372 HydrophobicContact CG1-CG2 4.35Å
352D91.6Very high91.8Very high37 Ų3727.6 Ų27.620%0.19816%0.156CC..  trans-155.8142.6174.4179.5-88000109.7L348 N354 A355 V372L348-D352 PolarHBondContact O-N 2.84Å; L348-D352 VanDerWaalsContact O-N 3.09Å; L348-D352 VanDerWaalsContact O-O 3.08Å; D352-N354 PolarHBondContact O-N 3.04Å; D352-N354 WeakPolarHBondContact OD1-CB 3.48Å; D352-N354 PolarHBondContact OD1-N 3.37Å; D352-A355 HydrophobicContact CB-CB 4.08Å; D352-A355 WeakPolarHBondContact O-CB 3.44Å; D352-A355 PolarHBondContact O-N 3.13Å; D352-V372 HydrophobicContact CB-CG1 4.29Å; D352-V372 HydrophobicContact CB-CG2 3.79Å
353P88.4Confident91.5Very high104 Ų10430 Ų3068%0.67516%0.16SC*.THydrogen-bonded Turntrans-55-27.3-178.7-2836.4000115.5
354N89.9Confident91.3Very high40 Ų4030.2 Ų30.221%0.21415%0.154CC..THydrogen-bonded Turntrans-95.9-9.3178-77.99.5000113.2D352 Y356 D357 A358 L389D352-N354 PolarHBondContact O-N 3.04Å; D352-N354 WeakPolarHBondContact OD1-CB 3.48Å; D352-N354 PolarHBondContact OD1-N 3.37Å; N354-Y356 VanDerWaalsContact C-N 3.28Å; N354-Y356 PolarHBondContact O-N 3.35Å; N354-D357 PolarHBondContact O-N 3.29Å; N354-D357 VanDerWaalsContact O-N 3.1Å; N354-A358 WeakPolarHBondContact O-CB 3.38Å; N354-A358 PolarHBondContact O-N 3.29Å; N354-L389 HydrophobicContact CB-CB 4.02Å; N354-L389 PolarHBondContact ND2-O 2.79Å
355A91.8Very high91.2Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-60.8-33-173.600000113.3L348 D352 F359 V368 L389L348-A355 HydrophobicContact CB-CB 4.08Å; L348-A355 HydrophobicContact CD2-CB 4.44Å; D352-A355 HydrophobicContact CB-CB 4.08Å; D352-A355 WeakPolarHBondContact O-CB 3.44Å; D352-A355 PolarHBondContact O-N 3.13Å; A355-F359 WeakPolarHBondContact O-CB 3.45Å; A355-F359 PolarHBondContact O-N 2.89Å; A355-V368 HydrophobicContact CB-CG1 3.88Å; A355-L389 HydrophobicContact CB-CD2 4.27Å
356Y92.6Very high91Very high67 Ų6725.2 Ų25.226%0.26313%0.13SC..Hα-helixtrans-70.4-38.3175.3-179.8-121.6000113A344 K345 L348 D349 N354 K360A344-Y356 HydrophobicContact CB-CD2 4.14Å; A344-Y356 HydrophobicContact CB-CE2 3.82Å; K345-Y356 HydrophobicContact CB-CD1 3.94Å; K345-Y356 HydrophobicContact CB-CD2 4.03Å; K345-Y356 HydrophobicContact CB-CE1 3.85Å; K345-Y356 HydrophobicContact CB-CE2 3.95Å; K345-Y356 HydrophobicContact CB-CG 4.02Å; K345-Y356 HydrophobicContact CD-CD1 4.32Å; K345-Y356 HydrophobicContact CD-CE1 4.21Å; K345-Y356 HydrophobicContact CG-CD1 3.78Å; K345-Y356 HydrophobicContact CG-CE1 3.97Å; K345-Y356 HydrophobicContact CG-CG 4.12Å; L348-Y356 HydrophobicContact CD1-CD2 4.28Å; D349-Y356 WeakPolarHBondContact OD1-CB 3.47Å; N354-Y356 VanDerWaalsContact C-N 3.28Å; N354-Y356 PolarHBondContact O-N 3.35Å; Y356-K360 HydrophobicContact CD1-CD 4.49Å; Y356-K360 HydrophobicContact CE1-CD 3.92Å; Y356-K360 HydrophobicContact CE2-CD 3.99Å; Y356-K360 HydrophobicContact CE2-CG 4.26Å; Y356-K360 WeakPolarHBondContact O-CE 3.15Å; Y356-K360 WeakPolarHBondContact O-CG 3.26Å; Y356-K360 PolarHBondContact O-N 3.32Å
357D89.4Confident90.6Very high51 Ų5125.9 Ų25.927%0.27314%0.135SC..Hα-helixtrans-73.8-40.1176.5-81.3-50.3000111.4N354 K360 A361 I391N354-D357 PolarHBondContact O-N 3.29Å; N354-D357 VanDerWaalsContact O-N 3.1Å; D357-K360 PolarHBondContact O-N 2.85Å; D357-K360 VanDerWaalsContact O-N 3.14Å; D357-K360 VanDerWaalsContact OD1-CE 3.23Å; D357-K360 WeakPolarHBondContact OD1-CE 3.29Å; D357-K360 IonicContact OD1-NZ 2.73Å; D357-K360 PolarHBondContact OD1-NZ 3.22Å; D357-A361 PolarHBondContact O-N 3.41Å; D357-I391 HydrophobicContact CB-CD1 3.71Å; D357-I391 HydrophobicContact CB-CG1 4.22Å
358A89.4Confident90.3Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-60.3-45.3172.600000112.3N354 K360 A361 S362 V368 L389N354-A358 WeakPolarHBondContact O-CB 3.38Å; N354-A358 PolarHBondContact O-N 3.29Å; A358-K360 PolarHBondContact O-N 3.39Å; A358-A361 PolarHBondContact O-N 3.47Å; A358-S362 PolarHBondContact O-N 3.2Å; A358-S362 PolarHBondContact O-OG 3.23Å; A358-V368 HydrophobicContact CB-CG2 4.25Å; A358-L389 HydrophobicContact CB-CD2 3.51Å; A358-L389 HydrophobicContact CB-CG 4.09Å
359F91.8Very high90.2Very high7 Ų725.9 Ų25.93%0.03114%0.135CC..Hα-helixtrans-65-21.4175.6-179-101.4000113.8V232 L348 A355 S362 R363 L365 V368V232-F359 HydrophobicContact CG1-CE1 3.57Å; V232-F359 HydrophobicContact CG1-CZ 3.7Å; L348-F359 HydrophobicContact CD1-CB 3.66Å; L348-F359 HydrophobicContact CD1-CD1 3.76Å; L348-F359 HydrophobicContact CD1-CG 3.71Å; A355-F359 WeakPolarHBondContact O-CB 3.45Å; A355-F359 PolarHBondContact O-N 2.89Å; F359-S362 CarbonylContact C-O 3.59Å; F359-S362 WeakPolarHBondContact CA-O 3.41Å; F359-S362 CarbonylContact O-C 3.57Å; F359-R363 HydrophobicContact CE1-CG 4.02Å; F359-R363 HydrophobicContact CE2-CG 3.96Å; F359-R363 HydrophobicContact CZ-CG 3.57Å; F359-R363 WeakPolarHBondContact O-CA 3.19Å; F359-L365 HydrophobicContact CD2-CB 4.49Å; F359-L365 HydrophobicContact CE2-CB 4.08Å; F359-V368 HydrophobicContact CB-CG2 4.2Å
360K90.3Very high89.9Confident9 Ų925.7 Ų25.74%0.03913%0.132CC..Hα-helixtrans-83.3-32.3170.5-72.6-177.8-59.282.70112.3Y356 D357 A358 Q400 P586Y356-K360 HydrophobicContact CD1-CD 4.49Å; Y356-K360 HydrophobicContact CE1-CD 3.92Å; Y356-K360 HydrophobicContact CE2-CD 3.99Å; Y356-K360 HydrophobicContact CE2-CG 4.26Å; Y356-K360 WeakPolarHBondContact O-CE 3.15Å; Y356-K360 WeakPolarHBondContact O-CG 3.26Å; Y356-K360 PolarHBondContact O-N 3.32Å; D357-K360 PolarHBondContact O-N 2.85Å; D357-K360 VanDerWaalsContact O-N 3.14Å; D357-K360 VanDerWaalsContact OD1-CE 3.23Å; D357-K360 WeakPolarHBondContact OD1-CE 3.29Å; D357-K360 IonicContact OD1-NZ 2.73Å; D357-K360 PolarHBondContact OD1-NZ 3.22Å; A358-K360 PolarHBondContact O-N 3.39Å; K360-Q400 HydrophobicContact CB-CB 3.87Å; K360-Q400 HydrophobicContact CG-CB 4.09Å; K360-Q400 HydrophobicContact CG-CG 4.21Å; K360-Q400 VanDerWaalsContact O-CB 3.29Å; K360-Q400 WeakPolarHBondContact O-CB 2.97Å; K360-Q400 PolarHBondContact O-N 2.68Å; K360-P586 HydrophobicContact CB-CB 3.91Å; K360-P586 WeakPolarHBondContact CD-O 3.47Å; K360-P586 PolarHBondContact NZ-O 3.1Å; K360-P586 WeakPolarHBondContact O-CB 3.44Å
361A88.8Confident89.6Confident0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-71.3-39.7173.700000112.1D357 A358 I391 E392 V399 M524D357-A361 PolarHBondContact O-N 3.41Å; A358-A361 PolarHBondContact O-N 3.47Å; A361-I391 HydrophobicContact CB-CG2 3.69Å; A361-E392 WeakPolarHBondContact CB-O 3.03Å; A361-V399 WeakPolarHBondContact O-CG2 3.33Å; A361-M524 HydrophobicContact CB-CE 4.13Å
362S85.1Confident89.4Confident1 Ų127.4 Ų27.41%0.00714%0.137CC..SBendtrans-135109.5173.449.90000109.4A358 F359 N364A358-S362 PolarHBondContact O-N 3.2Å; A358-S362 PolarHBondContact O-OG 3.23Å; F359-S362 CarbonylContact C-O 3.59Å; F359-S362 WeakPolarHBondContact CA-O 3.41Å; F359-S362 CarbonylContact O-C 3.57Å; S362-N364 PolarHBondContact O-N 3.18Å
363R86.4Confident89.3Confident70 Ų7026.3 Ų26.326%0.26413%0.131SC..  trans-77.949.9-175.9-162.7-179.7165.7105.94.7113.4V232 F359 P398V232-R363 PolarHBondContact O-NH2 2.87Å; F359-R363 HydrophobicContact CE1-CG 4.02Å; F359-R363 HydrophobicContact CE2-CG 3.96Å; F359-R363 HydrophobicContact CZ-CG 3.57Å; F359-R363 WeakPolarHBondContact O-CA 3.19Å; R363-P398 HydrophobicContact CB-CG 4.33Å; R363-P398 VanDerWaalsContact CB-O 3.25Å; R363-P398 WeakPolarHBondContact CB-O 3.32Å; R363-P398 PolarHBondContact N-O 3.34Å
364N87.6Confident89.2Confident37 Ų3727.1 Ų27.120%0.19812%0.121CC..  trans-116.8112.9171.3-175.6-6.4000109.3S163 S362 G366 D367 V368 T397S163-N364 WeakPolarHBondContact CB-OD1 3.28Å; S163-N364 PolarHBondContact OG-ND2 3.41Å; S163-N364 PolarHBondContact OG-OD1 3.09Å; S362-N364 PolarHBondContact O-N 3.18Å; N364-G366 PolarHBondContact OD1-N 2.81Å; N364-D367 HydrophobicContact CB-CB 3.94Å; N364-D367 PolarHBondContact OD1-N 3.16Å; N364-V368 WeakPolarHBondContact O-CG2 3.38Å; N364-V368 PolarHBondContact O-N 3.37Å; N364-T397 HydrophobicContact CB-CG2 4Å
365L90Very high89Confident8 Ų827 Ų274%0.04212%0.12CC..Hα-helixtrans-70.6-34.6177.9-177.962.5000112Y222 V225 K226 V233 L348 F359 V368 I369Y222-L365 HydrophobicContact CD2-CD2 4.43Å; Y222-L365 HydrophobicContact CD2-CG 4.21Å; Y222-L365 HydrophobicContact CE2-CB 4.33Å; Y222-L365 HydrophobicContact CE2-CD2 4.27Å; Y222-L365 HydrophobicContact CE2-CG 4.17Å; V225-L365 HydrophobicContact CG1-CD1 3.86Å; V225-L365 HydrophobicContact CG1-CD2 4.16Å; K226-L365 HydrophobicContact CB-CD2 4.04Å; V233-L365 HydrophobicContact CG2-CB 4.39Å; V233-L365 HydrophobicContact CG2-CD2 3.88Å; L348-L365 HydrophobicContact CD2-CD1 3.82Å; F359-L365 HydrophobicContact CD2-CB 4.49Å; F359-L365 HydrophobicContact CE2-CB 4.08Å; L365-V368 PolarHBondContact O-N 3.14Å; L365-I369 HydrophobicContact CD1-CD1 4.25Å; L365-I369 HydrophobicContact CD1-CG1 3.89Å; L365-I369 HydrophobicContact CG-CG1 4.16Å; L365-I369 WeakPolarHBondContact O-CB 3.31Å; L365-I369 VanDerWaalsContact O-CG1 3.28Å; L365-I369 WeakPolarHBondContact O-CG1 3.41Å; L365-I369 PolarHBondContact O-N 2.93Å
366G88.4Confident88.6Confident2 Ų231.6 Ų31.62%0.02114%0.142CC..Hα-helixtrans-62.4-47.617900000111.8N364 I369 E370N364-G366 PolarHBondContact OD1-N 2.81Å; G366-I369 PolarHBondContact O-N 2.96Å; G366-E370 VanDerWaalsContact O-CB 3.25Å; G366-E370 WeakPolarHBondContact O-CB 3.38Å; G366-E370 PolarHBondContact O-N 2.91Å
367D87.6Confident88.2Confident50 Ų5031.6 Ų31.627%0.26714%0.144SC..Hα-helixtrans-57.7-50.2175.1176.181.1000112.3N364 I369 E370 R371N364-D367 HydrophobicContact CB-CB 3.94Å; N364-D367 PolarHBondContact OD1-N 3.16Å; D367-I369 PolarHBondContact O-N 3.06Å; D367-E370 PolarHBondContact O-N 3.13Å; D367-R371 VanDerWaalsContact CG-CD 3.43Å; D367-R371 WeakPolarHBondContact O-CB 3.4Å; D367-R371 WeakPolarHBondContact O-CD 3.4Å; D367-R371 WeakPolarHBondContact O-CG 3.27Å; D367-R371 PolarHBondContact O-N 3.02Å; D367-R371 VanDerWaalsContact OD1-CD 3.27Å; D367-R371 WeakPolarHBondContact OD1-CD 3.29Å; D367-R371 WeakPolarHBondContact OD2-CD 3.47Å; D367-R371 IonicContact OD2-CZ 3.7Å; D367-R371 IonicContact OD2-NE 3.83Å; D367-R371 IonicContact OD2-NH1 2.78Å; D367-R371 PolarHBondContact OD2-NH1 3.11Å
368V90.4Very high87.8Confident0 Ų031.8 Ų31.80%015%0.145CC..Hα-helixtrans-62-45.8-178.7169.30000111.5A355 A358 F359 N364 L365 V372 L389A355-V368 HydrophobicContact CB-CG1 3.88Å; A358-V368 HydrophobicContact CB-CG2 4.25Å; F359-V368 HydrophobicContact CB-CG2 4.2Å; N364-V368 WeakPolarHBondContact O-CG2 3.38Å; N364-V368 PolarHBondContact O-N 3.37Å; L365-V368 PolarHBondContact O-N 3.14Å; V368-V372 VanDerWaalsContact O-CG2 3.31Å; V368-V372 WeakPolarHBondContact O-CG2 3.28Å; V368-V372 PolarHBondContact O-N 2.73Å; V368-V372 VanDerWaalsContact O-N 3.09Å; V368-L389 HydrophobicContact CG1-CD2 4.23Å
369I91.3Very high87.1Confident0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-65-42.4176.3-64.3-58.4000110.9L221 V225 V351 L365 G366 D367 R371 V372 L373L221-I369 HydrophobicContact CB-CG2 4.43Å; L221-I369 HydrophobicContact CD2-CG2 3.91Å; L221-I369 HydrophobicContact CG-CD1 4.37Å; L221-I369 HydrophobicContact CG-CG2 3.96Å; V225-I369 HydrophobicContact CB-CD1 4.38Å; V225-I369 HydrophobicContact CG1-CD1 4.33Å; V225-I369 HydrophobicContact CG2-CD1 4.28Å; V351-I369 HydrophobicContact CG1-CD1 3.86Å; V351-I369 HydrophobicContact CG2-CD1 4.27Å; L365-I369 HydrophobicContact CD1-CD1 4.25Å; L365-I369 HydrophobicContact CD1-CG1 3.89Å; L365-I369 HydrophobicContact CG-CG1 4.16Å; L365-I369 WeakPolarHBondContact O-CB 3.31Å; L365-I369 VanDerWaalsContact O-CG1 3.28Å; L365-I369 WeakPolarHBondContact O-CG1 3.41Å; L365-I369 PolarHBondContact O-N 2.93Å; G366-I369 PolarHBondContact O-N 2.96Å; D367-I369 PolarHBondContact O-N 3.06Å; I369-R371 PolarHBondContact O-N 3.24Å; I369-V372 PolarHBondContact O-N 2.75Å; I369-L373 HydrophobicContact CG2-CD1 3.93Å; I369-L373 HydrophobicContact CG2-CG 4.36Å; I369-L373 WeakPolarHBondContact O-CG 3.27Å; I369-L373 PolarHBondContact O-N 2.9Å
370E89.4Confident86.1Confident41 Ų4137.7 Ų37.719%0.19219%0.189CC..Hα-helixtrans-64.6-42.6-179.4-169.7165.4133.200112.6S165 A166 L167 G366 D367 L373 R374S165-E370 WeakPolarHBondContact OG-CB 3.5Å; A166-E370 PolarHBondContact N-OE2 3.36Å; L167-E370 HydrophobicContact CB-CG 4.29Å; L167-E370 HydrophobicContact CD1-CG 3.84Å; G366-E370 VanDerWaalsContact O-CB 3.25Å; G366-E370 WeakPolarHBondContact O-CB 3.38Å; G366-E370 PolarHBondContact O-N 2.91Å; D367-E370 PolarHBondContact O-N 3.13Å; E370-L373 PolarHBondContact O-N 3.31Å; E370-R374 VanDerWaalsContact O-CG 3.31Å; E370-R374 WeakPolarHBondContact O-CG 3.28Å; E370-R374 PolarHBondContact O-N 3.22Å; E370-R374 IonicContact OE1-CZ 3.36Å; E370-R374 IonicContact OE1-NE 3.16Å; E370-R374 PolarHBondContact OE1-NE 3.37Å; E370-R374 VanDerWaalsContact OE1-NE 3.16Å; E370-R374 IonicContact OE1-NH2 2.71Å; E370-R374 PolarHBondContact OE1-NH2 3.49Å
371R88.3Confident85.2Confident48 Ų4841.8 Ų41.818%0.18122%0.219CC..Hα-helixtrans-67.7-35.3177.6-71.3161.464.3-148.7-2.5112.1D367 I369 N375 L389 T390D367-R371 VanDerWaalsContact CG-CD 3.43Å; D367-R371 WeakPolarHBondContact O-CB 3.4Å; D367-R371 WeakPolarHBondContact O-CD 3.4Å; D367-R371 WeakPolarHBondContact O-CG 3.27Å; D367-R371 PolarHBondContact O-N 3.02Å; D367-R371 VanDerWaalsContact OD1-CD 3.27Å; D367-R371 WeakPolarHBondContact OD1-CD 3.29Å; D367-R371 WeakPolarHBondContact OD2-CD 3.47Å; D367-R371 IonicContact OD2-CZ 3.7Å; D367-R371 IonicContact OD2-NE 3.83Å; D367-R371 IonicContact OD2-NH1 2.78Å; D367-R371 PolarHBondContact OD2-NH1 3.11Å; I369-R371 PolarHBondContact O-N 3.24Å; R371-N375 WeakPolarHBondContact O-CB 3.29Å; R371-N375 PolarHBondContact O-N 3.09Å; R371-L389 HydrophobicContact CB-CD1 3.56Å; R371-T390 PolarHBondContact NH2-O 3.39Å; R371-T390 PolarHBondContact NH2-OG1 3.05Å
372V89.3Confident83.6Confident3 Ų344.9 Ų44.92%0.01825%0.251CS..Hα-helixtrans-63.7-46.2170.2169.90000111V351 D352 V368 I369 R374 N375 Q376 L389V351-V372 HydrophobicContact CG1-CB 4.43Å; V351-V372 HydrophobicContact CG1-CG1 3.95Å; V351-V372 HydrophobicContact CG1-CG2 4.35Å; D352-V372 HydrophobicContact CB-CG1 4.29Å; D352-V372 HydrophobicContact CB-CG2 3.79Å; V368-V372 VanDerWaalsContact O-CG2 3.31Å; V368-V372 WeakPolarHBondContact O-CG2 3.28Å; V368-V372 PolarHBondContact O-N 2.73Å; V368-V372 VanDerWaalsContact O-N 3.09Å; I369-V372 PolarHBondContact O-N 2.75Å; V372-R374 PolarHBondContact O-N 3.46Å; V372-N375 PolarHBondContact O-N 3.32Å; V372-Q376 HydrophobicContact CG1-CG 4.48Å; V372-Q376 VanDerWaalsContact CG1-NE2 3.29Å; V372-Q376 VanDerWaalsContact O-CG 3.31Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 3.46Å; V372-L389 HydrophobicContact CG2-CD1 4.26Å; V372-L389 HydrophobicContact CG2-CD2 3.9Å
373L88.7Confident82Confident14 Ų1448.4 Ų48.47%0.07328%0.276CS..Hα-helixtrans-62.3-42178-72.5172000112.3L167 L171 L221 I369 E370 Q376 Q377L167-L373 HydrophobicContact CB-CD1 4.23Å; L171-L373 HydrophobicContact CD1-CD1 4.4Å; L171-L373 HydrophobicContact CD1-CD2 3.95Å; L221-L373 HydrophobicContact CD2-CD1 4.44Å; L221-L373 HydrophobicContact CD2-CD2 3.76Å; L221-L373 HydrophobicContact CD2-CG 4.08Å; I369-L373 HydrophobicContact CG2-CD1 3.93Å; I369-L373 HydrophobicContact CG2-CG 4.36Å; I369-L373 WeakPolarHBondContact O-CG 3.27Å; I369-L373 PolarHBondContact O-N 2.9Å; E370-L373 PolarHBondContact O-N 3.31Å; L373-Q376 PolarHBondContact O-N 3.2Å; L373-Q377 WeakPolarHBondContact O-CG 3.46Å; L373-Q377 PolarHBondContact O-N 3.06Å
374R87.1Confident80.5Confident122 Ų12247.1 Ų47.146%0.4628%0.284SS..Hα-helixtrans-60.1-49173.5-70.5171.7-176.7-893.7111.7L167 E370 V372 Q376 Q377 D378L167-R374 HydrophobicContact CD1-CG 3.52Å; E370-R374 VanDerWaalsContact O-CG 3.31Å; E370-R374 WeakPolarHBondContact O-CG 3.28Å; E370-R374 PolarHBondContact O-N 3.22Å; E370-R374 IonicContact OE1-CZ 3.36Å; E370-R374 IonicContact OE1-NE 3.16Å; E370-R374 PolarHBondContact OE1-NE 3.37Å; E370-R374 VanDerWaalsContact OE1-NE 3.16Å; E370-R374 IonicContact OE1-NH2 2.71Å; E370-R374 PolarHBondContact OE1-NH2 3.49Å; V372-R374 PolarHBondContact O-N 3.46Å; R374-Q376 PolarHBondContact O-N 3.48Å; R374-Q377 PolarHBondContact O-N 2.95Å; R374-Q377 VanDerWaalsContact O-N 3.13Å; R374-D378 PolarHBondContact O-N 3.08Å
375N85.9Confident78.9Confident37 Ų3751.1 Ų51.120%0.19831%0.312CS..Hα-helixtrans-62.4-29.6177.3-76.27.8000113.1R371 V372 A379 K387R371-N375 WeakPolarHBondContact O-CB 3.29Å; R371-N375 PolarHBondContact O-N 3.09Å; V372-N375 PolarHBondContact O-N 3.32Å; N375-A379 WeakPolarHBondContact O-CB 3.29Å; N375-A379 PolarHBondContact O-N 2.85Å; N375-K387 PolarHBondContact ND2-O 3.47Å
376Q83.8Confident77.4Confident96 Ų9660.8 Ų60.845%0.44935%0.348SS..Hα-helixtrans-73.9-40.3173.3-71.3176.114.400112.1V372 L373 R374 S380V372-Q376 HydrophobicContact CG1-CG 4.48Å; V372-Q376 VanDerWaalsContact CG1-NE2 3.29Å; V372-Q376 VanDerWaalsContact O-CG 3.31Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 3.46Å; L373-Q376 PolarHBondContact O-N 3.2Å; R374-Q376 PolarHBondContact O-N 3.48Å; Q376-S380 PolarHBondContact O-N 3.29Å; Q376-S380 VanDerWaalsContact O-N 3.12Å; Q376-S380 PolarHBondContact O-OG 3.35Å
377Q83.3Confident76.2Confident68 Ų6866.3 Ų66.332%0.31837%0.372SS..Hα-helixtrans-62.2-54.6174.4-75.9179.1-22.800111.5L373 R374 A379 S380 S381L373-Q377 WeakPolarHBondContact O-CG 3.46Å; L373-Q377 PolarHBondContact O-N 3.06Å; R374-Q377 PolarHBondContact O-N 2.95Å; R374-Q377 VanDerWaalsContact O-N 3.13Å; Q377-A379 PolarHBondContact O-N 3.37Å; Q377-A379 VanDerWaalsContact O-N 3.16Å; Q377-S380 CarbonylContact O-C 3.59Å; Q377-S380 WeakPolarHBondContact O-CA 3.26Å; Q377-S380 PolarHBondContact O-N 2.99Å; Q377-S380 PolarHBondContact O-OG 3.37Å; Q377-S381 PolarHBondContact O-N 3.36Å; Q377-S381 PolarHBondContact O-OG 3Å
378D79.9Confident75.3Confident55 Ų5570.1 Ų70.129%0.29439%0.391SS..Hα-helixtrans-46.4-47.3175.5-82.318.2000112R374 S380 S381 G382 S383 K387R374-D378 PolarHBondContact O-N 3.08Å; D378-S380 VanDerWaalsContact C-N 3.33Å; D378-S380 PolarHBondContact O-N 3.16Å; D378-S381 PolarHBondContact O-N 3.27Å; D378-G382 PolarHBondContact O-N 3.36Å; D378-S383 PolarHBondContact O-N 2.94Å; D378-S383 PolarHBondContact O-OG 3.19Å; D378-K387 IonicContact OD2-NZ 2.66Å; D378-K387 PolarHBondContact OD2-NZ 3.3Å
379A74.9Confident74.8Confident33 Ų3370.3 Ų70.327%0.27339%0.392SS..Hα-helixtrans-71.2-24.6-17900000114N375 Q377 R386N375-A379 WeakPolarHBondContact O-CB 3.29Å; N375-A379 PolarHBondContact O-N 2.85Å; Q377-A379 PolarHBondContact O-N 3.37Å; Q377-A379 VanDerWaalsContact O-N 3.16Å; A379-R386 HydrophobicContact CB-CG 3.58Å
380S71.6Confident74.1Confident97 Ų9773.6 Ų73.668%0.67841%0.413SS*.Hα-helixtrans-83.2-27.2171.669.10000112.9Q376 Q377 D378 G382Q376-S380 PolarHBondContact O-N 3.29Å; Q376-S380 VanDerWaalsContact O-N 3.12Å; Q376-S380 PolarHBondContact O-OG 3.35Å; Q377-S380 CarbonylContact O-C 3.59Å; Q377-S380 WeakPolarHBondContact O-CA 3.26Å; Q377-S380 PolarHBondContact O-N 2.99Å; Q377-S380 PolarHBondContact O-OG 3.37Å; D378-S380 VanDerWaalsContact C-N 3.33Å; D378-S380 PolarHBondContact O-N 3.16Å; S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.33Å
381S70.6Confident73.6Confident96 Ų9674.6 Ų74.667%0.67142%0.419SS*.THydrogen-bonded Turntrans-84.86.8176.9-58.40000113.8Q377 D378 S383Q377-S381 PolarHBondContact O-N 3.36Å; Q377-S381 PolarHBondContact O-OG 3Å; D378-S381 PolarHBondContact O-N 3.27Å; S381-S383 VanDerWaalsContact C-N 3.31Å; S381-S383 PolarHBondContact O-N 3.39Å
382G56.8Low73.1Confident65 Ų6577.5 Ų77.567%0.6743%0.434SS*.THydrogen-bonded Turntrans758.717300000115.8D378 S380 G384D378-G382 PolarHBondContact O-N 3.36Å; S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.33Å; G382-G384 PolarHBondContact O-N 3.38Å
383S51.8Low72.9Confident75 Ų7577.9 Ų77.952%0.52444%0.437SS..SBendtrans-78.929.9-171.676.10000114.7D378 S381D378-S383 PolarHBondContact O-N 2.94Å; D378-S383 PolarHBondContact O-OG 3.19Å; S381-S383 VanDerWaalsContact C-N 3.31Å; S381-S383 PolarHBondContact O-N 3.39Å
384G53.7Low72.8Confident43 Ų4379.6 Ų79.644%0.44345%0.451SS..SBendtrans116.6-178.3179.400000115G382G382-G384 PolarHBondContact O-N 3.38Å
385P53.9Low72.9Confident121 Ų12175.3 Ų75.379%0.78644%0.437SS*.SBendtrans-65.2151.5177.528.8-35.3000111.4K387P385-K387 PolarHBondContact O-N 2.89Å
386R58.2Low73.1Confident211 Ų21176 Ų7680%0.79644%0.439SS*.  trans-51.1110.3177.5-78.6-178.8178.2170.51.9111.3A379 L388A379-R386 HydrophobicContact CB-CG 3.58Å; R386-L388 PolarHBondContact O-N 3.08Å
387K64.6Low73.4Confident118 Ų11872.6 Ų72.651%0.51343%0.425SS..PPolyproline II helixtrans-63.5125.1169.8-62168.6-172163.10108.3N375 D378 P385N375-K387 PolarHBondContact ND2-O 3.47Å; D378-K387 IonicContact OD2-NZ 2.66Å; D378-K387 PolarHBondContact OD2-NZ 3.3Å; P385-K387 PolarHBondContact O-N 2.89Å
388L67.5Low73.8Confident130 Ų13070.2 Ų70.268%0.68142%0.416SS*.PPolyproline II helixtrans-64.5146.8167.8-79.174.4000108.7R386 T390R386-L388 PolarHBondContact O-N 3.08Å; L388-T390 PolarHBondContact O-N 2.69Å
389L79.5Confident74.5Confident3 Ų367.6 Ų67.62%0.01640%0.402CS..PPolyproline II helixtrans-63.6124.4172.7-178.271.7000109.6N354 A355 A358 V368 R371 V372N354-L389 HydrophobicContact CB-CB 4.02Å; N354-L389 PolarHBondContact ND2-O 2.79Å; A355-L389 HydrophobicContact CB-CD2 4.27Å; A358-L389 HydrophobicContact CB-CD2 3.51Å; A358-L389 HydrophobicContact CB-CG 4.09Å; V368-L389 HydrophobicContact CG1-CD2 4.23Å; R371-L389 HydrophobicContact CB-CD1 3.56Å; V372-L389 HydrophobicContact CG2-CD1 4.26Å; V372-L389 HydrophobicContact CG2-CD2 3.9Å
390T76.5Confident75.3Confident70 Ų7067.9 Ų67.943%0.42940%0.398SS..PPolyproline II helixtrans-74.8147.1179.2590000111.7R371 L388 E392R371-T390 PolarHBondContact NH2-O 3.39Å; R371-T390 PolarHBondContact NH2-OG1 3.05Å; L388-T390 PolarHBondContact O-N 2.69Å; T390-E392 WeakPolarHBondContact CB-OE1 3.36Å; T390-E392 PolarHBondContact OG1-OE1 3.45Å
391I79.3Confident76.4Confident62 Ų6263.4 Ų63.432%0.31837%0.366SS..  trans-107.995.5-177.1-60.2162.8000107.5D357 A361D357-I391 HydrophobicContact CB-CD1 3.71Å; D357-I391 HydrophobicContact CB-CG1 4.22Å; A361-I391 HydrophobicContact CB-CG2 3.69Å
392E78.4Confident77.6Confident108 Ų10859 Ų5951%0.50534%0.335SS..  trans-131.3144.2-172.2-70.3170.1-117.800110.5A361 T390A361-E392 WeakPolarHBondContact CB-O 3.03Å; T390-E392 WeakPolarHBondContact CB-OE1 3.36Å; T390-E392 PolarHBondContact OG1-OE1 3.45Å
393A84.8Confident79.4Confident11 Ų1157.3 Ų57.39%0.09131%0.31CS..PPolyproline II helixtrans-84.2123.1173.900000109.9V399 I474 M524A393-V399 HydrophobicContact CB-CG2 3.94Å; A393-I474 HydrophobicContact CB-CD1 4.33Å; A393-M524 HydrophobicContact CB-CE 3.76Å; A393-M524 HydrophobicContact CB-SD 4.04Å
394S87.1Confident81.5Confident50 Ų5054.7 Ų54.735%0.3529%0.293SS..PPolyproline II helixtrans-92.9129.7178.2-177.70000110.7T397S394-T397 WeakPolarHBondContact O-CB 3.14Å; S394-T397 PolarHBondContact O-N 2.82Å; S394-T397 VanDerWaalsContact O-N 3.15Å; S394-T397 VanDerWaalsContact O-O 3.06Å
395L89.3Confident83.5Confident33 Ų3355.3 Ų55.317%0.17328%0.284CS..THydrogen-bonded Turntrans-62.2149.7-179.4-167.462.8000111T397 N437 S472 I474 Y517L395-T397 PolarHBondContact O-N 3.17Å; L395-N437 HydrophobicContact CD2-CB 3.72Å; L395-N437 HydrophobicContact CG-CB 4.3Å; L395-S472 VanDerWaalsContact CD2-CB 3.5Å; L395-I474 HydrophobicContact CD1-CD1 4.44Å; L395-I474 HydrophobicContact CD1-CG1 3.97Å; L395-Y517 HydrophobicContact CD1-CD1 4.1Å; L395-Y517 HydrophobicContact CD1-CE1 3.95Å; L395-Y517 HydrophobicContact CD2-CE1 4.37Å
396M90.6Very high85.2Confident50 Ų5051.5 Ų51.525%0.24626%0.264CS..THydrogen-bonded Turntrans59.1-8.8-169.5-48.9-78.482.800116.1H435 N437 T440 F444M396-H435 HydrophobicContact CE-CB 3.58Å; M396-N437 HydrophobicContact CE-CB 3.78Å; M396-N437 HydrophobicContact CG-CB 4.3Å; M396-N437 HydrophobicContact SD-CB 3.82Å; M396-T440 HydrophobicContact SD-CG2 3.91Å; M396-F444 WeakPolarHBondContact O-CZ 3.34Å
397T89.9Confident86.7Confident26 Ų2641.5 Ų41.516%0.1623%0.226CC..SBendtrans-99.1126.5176.4-57.20000110N364 S394 L395 V399 H435N364-T397 HydrophobicContact CB-CG2 4Å; S394-T397 WeakPolarHBondContact O-CB 3.14Å; S394-T397 PolarHBondContact O-N 2.82Å; S394-T397 VanDerWaalsContact O-N 3.15Å; S394-T397 VanDerWaalsContact O-O 3.06Å; L395-T397 PolarHBondContact O-N 3.17Å; T397-V399 PolarHBondContact O-N 2.66Å; T397-H435 PolarHBondContact O-CE1 2.89Å
398P91.5Very high87.8Confident18 Ų1841.7 Ų41.712%0.11723%0.227CC..PPolyproline II helixtrans-62.1138.5-17517.6-26.4000113.5R363 F444 L448R363-P398 HydrophobicContact CB-CG 4.33Å; R363-P398 VanDerWaalsContact CB-O 3.25Å; R363-P398 WeakPolarHBondContact CB-O 3.32Å; R363-P398 PolarHBondContact N-O 3.34Å; P398-F444 HydrophobicContact CB-CB 4.21Å; P398-F444 HydrophobicContact CB-CD1 4.04Å; P398-F444 HydrophobicContact CB-CD2 3.81Å; P398-F444 HydrophobicContact CB-CE1 4.37Å; P398-F444 HydrophobicContact CB-CE2 4.16Å; P398-F444 HydrophobicContact CB-CG 3.75Å; P398-F444 HydrophobicContact CB-CZ 4.43Å; P398-F444 HydrophobicContact CG-CD1 4.03Å; P398-F444 HydrophobicContact CG-CD2 4.45Å; P398-F444 HydrophobicContact CG-CE1 4.02Å; P398-F444 HydrophobicContact CG-CE2 4.42Å; P398-F444 HydrophobicContact CG-CG 4.26Å; P398-F444 HydrophobicContact CG-CZ 4.22Å; P398-L448 HydrophobicContact CB-CB 4.16Å; P398-L448 HydrophobicContact CB-CD1 4.46Å; P398-L448 HydrophobicContact CB-CD2 3.76Å; P398-L448 HydrophobicContact CB-CG 4.32Å; P398-L448 HydrophobicContact CG-CB 4.39Å
399V93.7Very high88.8Confident0 Ų037.1 Ų37.10%021%0.206CC..PPolyproline II helixtrans-95.6133.5175.1-172.50000108.4A361 A393 T397 P401 Q433 I474 I516 M524 Y584 P586A361-V399 WeakPolarHBondContact O-CG2 3.33Å; A393-V399 HydrophobicContact CB-CG2 3.94Å; T397-V399 PolarHBondContact O-N 2.66Å; V399-P401 VanDerWaalsContact O-CD 3.24Å; V399-P401 WeakPolarHBondContact O-CD 3.4Å; V399-P401 VanDerWaalsContact O-N 3.13Å; V399-Q433 PolarHBondContact O-NE2 3.07Å; V399-Q433 PolarHBondContact O-OE1 3.38Å; V399-Q433 VanDerWaalsContact O-OE1 3.11Å; V399-I474 HydrophobicContact CG2-CD1 4.06Å; V399-I474 HydrophobicContact CG2-CG2 4.46Å; V399-I516 HydrophobicContact CG1-CG2 4.46Å; V399-I516 HydrophobicContact CG2-CG2 4.28Å; V399-M524 HydrophobicContact CG1-SD 4.14Å; V399-Y584 HydrophobicContact CG1-CE1 4.28Å; V399-P586 HydrophobicContact CG1-CB 4.08Å; V399-P586 HydrophobicContact CG1-CG 3.77Å
400Q92.8Very high89.3Confident39 Ų3937.3 Ų37.318%0.18221%0.206CC..  trans-64.8114.7-177.6-169.568.26100110.7K360 M402 P586 G587K360-Q400 HydrophobicContact CB-CB 3.87Å; K360-Q400 HydrophobicContact CG-CB 4.09Å; K360-Q400 HydrophobicContact CG-CG 4.21Å; K360-Q400 VanDerWaalsContact O-CB 3.29Å; K360-Q400 WeakPolarHBondContact O-CB 2.97Å; K360-Q400 PolarHBondContact O-N 2.68Å; Q400-M402 PolarHBondContact O-N 3.38Å; Q400-P586 HydrophobicContact CB-CB 4.23Å; Q400-P586 CarbonylContact O-C 3.58Å; Q400-P586 WeakPolarHBondContact O-CA 3.47Å; Q400-P586 WeakPolarHBondContact O-CB 3.42Å; Q400-G587 PolarHBondContact O-N 2.89Å
401P94.5Very high89.9Confident3 Ų338.1 Ų38.12%0.01921%0.206CC..  trans-58.8134.6-170.317.7-32.4000112.8V399 L403 Y584 G587V399-P401 VanDerWaalsContact O-CD 3.24Å; V399-P401 WeakPolarHBondContact O-CD 3.4Å; V399-P401 VanDerWaalsContact O-N 3.13Å; P401-L403 WeakPolarHBondContact O-CD2 3.32Å; P401-L403 WeakPolarHBondContact O-CG 3.46Å; P401-Y584 WeakPolarHBondContact CA-OH 3.45Å; P401-G587 WeakPolarHBondContact O-CA 3.26Å; P401-G587 PolarHBondContact O-N 2.65Å
402M94.9Very high90.5Very high4 Ų439 Ų392%0.0221%0.205CC..  trans-62.5135.5171.4-169.8171-174.900110.2Q400 R431 S583 Y584 E585 H590 W591Q400-M402 PolarHBondContact O-N 3.38Å; M402-R431 VanDerWaalsContact O-CZ 3.3Å; M402-R431 PolarHBondContact O-NH1 3.05Å; M402-R431 PolarHBondContact O-NH2 3.34Å; M402-S583 WeakPolarHBondContact CE-O 3.36Å; M402-Y584 HydrophobicContact CB-CD2 4.21Å; M402-Y584 HydrophobicContact CB-CE1 4.06Å; M402-Y584 HydrophobicContact CB-CE2 3.76Å; M402-Y584 PolarHBondContact N-OH 3.48Å; M402-Y584 HydrophobicContact SD-CD2 4.19Å; M402-Y584 HydrophobicContact SD-CG 4.39Å; M402-E585 HydrophobicContact CE-CB 4.3Å; M402-E585 PolarHBondContact SD-N 2.7Å; M402-E585 VanDerWaalsContact SD-N 3.39Å; M402-H590 HydrophobicContact CE-CB 3.93Å; M402-W591 HydrophobicContact CB-CH2 4.28Å; M402-W591 HydrophobicContact CB-CZ2 4.21Å; M402-W591 HydrophobicContact CE-CG 4.43Å; M402-W591 HydrophobicContact CG-CD2 4.19Å; M402-W591 HydrophobicContact CG-CZ2 4.23Å; M402-W591 HydrophobicContact SD-CD2 4.3Å; M402-W591 VanDerWaalsContact SD-CE2 3.55Å; M402-W591 HydrophobicContact SD-CZ2 3.8Å; M402-W591 PolarHBondContact SD-NE1 2.92Å; M402-W591 VanDerWaalsContact SD-NE1 3.38Å
403L95.8Very high91.2Very high28 Ų2833.9 Ų33.915%0.14718%0.181CC..EExtended strand (participates in β ladder)trans-112.8159.8-167.1-59-179.3000112.5P401 K588 R589 H590 W591P401-L403 WeakPolarHBondContact O-CD2 3.32Å; P401-L403 WeakPolarHBondContact O-CG 3.46Å; L403-K588 WeakPolarHBondContact CA-O 3.28Å; L403-K588 WeakPolarHBondContact CB-O 3.46Å; L403-K588 PolarHBondContact N-O 2.94Å; L403-R589 HydrophobicContact CB-CB 4.49Å; L403-R589 HydrophobicContact CB-CG 3.73Å; L403-R589 HydrophobicContact CD1-CG 4.14Å; L403-R589 CarbonylContact O-C 3.56Å; L403-R589 WeakPolarHBondContact O-CA 3.49Å; L403-H590 PolarHBondContact O-N 2.82Å; L403-W591 PolarHBondContact O-N 3.33Å
404A95.1Very high91.5Very high20 Ų2035.9 Ų35.917%0.16519%0.189CC..EExtended strand (participates in β ladder)trans-101.5137.8173.200000112.9R589 W591 K593A404-R589 PolarHBondContact O-NH1 3.36Å; A404-W591 CarbonylContact C-O 3.59Å; A404-W591 VanDerWaalsContact CA-O 3.25Å; A404-W591 WeakPolarHBondContact CA-O 3.43Å; A404-W591 HydrophobicContact CB-CB 4.17Å; A404-K593 HydrophobicContact CB-CB 3.95Å; A404-K593 HydrophobicContact CB-CG 3.8Å
405E94.5Very high91.9Very high56 Ų5641.6 Ų41.626%0.26221%0.208SC..EExtended strand (participates in β ladder)trans-79.4153.6164-158.1-171.6128.300110.1Y412 K416 W591 L592 K593E405-Y412 WeakPolarHBondContact OE1-CE1 3.39Å; E405-Y412 PolarHBondContact OE1-OH 3.01Å; E405-K416 VanDerWaalsContact CD-NZ 3.32Å; E405-K416 IonicContact OE1-NZ 2.62Å; E405-K416 PolarHBondContact OE1-NZ 2.67Å; E405-K416 IonicContact OE2-NZ 3.05Å; E405-K416 PolarHBondContact OE2-NZ 3.26Å; E405-W591 PolarHBondContact N-O 3.13Å; E405-L592 HydrophobicContact CB-CD2 4.14Å; E405-L592 CarbonylContact O-C 3.5Å; E405-K593 WeakPolarHBondContact O-CG 3.39Å; E405-K593 PolarHBondContact O-N 3.37Å
406A90.9Very high92Very high42 Ų4244.1 Ų44.135%0.34722%0.218SC..EExtended strand (participates in β ladder)trans-80.7122.6174.400000110.1Y598A406-Y598 HydrophobicContact CB-CD2 3.98Å; A406-Y598 HydrophobicContact CB-CE2 4.09Å; A406-Y598 HydrophobicContact CB-CG 4.29Å
407C90.4Very high92.1Very high0 Ų041.9 Ų41.90%021%0.207CC..PPolyproline II helixtrans-97.5124.3179.9-1670000110.2S409 L592 K593 V594 Y598C407-S409 PolarHBondContact SG-O 2.86Å; C407-L592 HydrophobicContact CB-CB 4.12Å; C407-K593 WeakPolarHBondContact CB-O 3.16Å; C407-K593 PolarHBondContact N-O 3.31Å; C407-V594 HydrophobicContact CB-CG2 3.87Å; C407-Y598 WeakPolarHBondContact O-CB 3.34Å
408K87.3Confident92.2Very high122 Ų12245.6 Ų45.653%0.5323%0.231SC..  trans-93.7-23.7-174.5-69.1-171.1171.4-165.30115.2Y598K408-Y598 WeakPolarHBondContact CA-O 3.49Å
409S88.2Confident92.1Very high35 Ų3547.8 Ų47.825%0.24524%0.242CC..  trans-150.2169.4-179.294.10000111.3C407 E411 Y412 A413C407-S409 PolarHBondContact SG-O 2.86Å; S409-E411 WeakPolarHBondContact CB-OE2 3.45Å; S409-E411 PolarHBondContact OG-N 3.2Å; S409-E411 PolarHBondContact OG-OE2 3.45Å; S409-Y412 PolarHBondContact OG-N 3.39Å; S409-A413 PolarHBondContact O-N 2.77Å
410I89.1Confident92.1Very high6 Ų648.2 Ų48.23%0.03125%0.247CC..Hα-helixtrans-70.8-40.8177.6-72.9171.9000110.5Y412 A413 M414 A557 L560 A561 I564 V758 A760I410-Y412 VanDerWaalsContact C-N 3.26Å; I410-Y412 PolarHBondContact O-N 3.31Å; I410-A413 WeakPolarHBondContact O-CA 3.45Å; I410-A413 WeakPolarHBondContact O-CB 3.45Å; I410-A413 PolarHBondContact O-N 3.31Å; I410-M414 HydrophobicContact CG2-CG 4.27Å; I410-M414 WeakPolarHBondContact O-CG 3.41Å; I410-M414 PolarHBondContact O-N 2.94Å; I410-A557 HydrophobicContact CG2-CB 3.7Å; I410-L560 HydrophobicContact CG1-CD2 4.42Å; I410-L560 HydrophobicContact CG1-CG 4.48Å; I410-L560 HydrophobicContact CG2-CD2 4.27Å; I410-A561 HydrophobicContact CD1-CB 3.59Å; I410-I564 HydrophobicContact CD1-CD1 4.16Å; I410-I564 HydrophobicContact CG1-CD1 3.87Å; I410-V758 HydrophobicContact CD1-CG1 3.68Å; I410-A760 HydrophobicContact CG2-CB 4.34Å
411E90.3Very high92.3Very high88 Ų8846.4 Ų46.441%0.41124%0.238SC..Hα-helixtrans-60.4-38.6179-55.667.5-145.500110.5S409 K415 G761S409-E411 WeakPolarHBondContact CB-OE2 3.45Å; S409-E411 PolarHBondContact OG-N 3.2Å; S409-E411 PolarHBondContact OG-OE2 3.45Å; E411-K415 WeakPolarHBondContact O-CB 3.48Å; E411-K415 PolarHBondContact O-N 2.83Å; E411-G761 PolarHBondContact OE1-N 3.07Å
412Y91.2Very high92.4Very high80 Ų8048 Ų4831%0.31424%0.244SC..Hα-helixtrans-64.7-39.5172.9-167.3-108.3000112.6E405 S409 I410 K416 L592E405-Y412 WeakPolarHBondContact OE1-CE1 3.39Å; E405-Y412 PolarHBondContact OE1-OH 3.01Å; S409-Y412 PolarHBondContact OG-N 3.39Å; I410-Y412 VanDerWaalsContact C-N 3.26Å; I410-Y412 PolarHBondContact O-N 3.31Å; Y412-K416 HydrophobicContact CD1-CG 4.33Å; Y412-K416 HydrophobicContact CE1-CG 4.09Å; Y412-K416 HydrophobicContact CE2-CG 4.49Å; Y412-K416 WeakPolarHBondContact O-CB 3.35Å; Y412-K416 WeakPolarHBondContact O-CG 3.41Å; Y412-K416 PolarHBondContact O-N 2.75Å; Y412-K416 WeakPolarHBondContact OH-CE 3.49Å; Y412-K416 PolarHBondContact OH-NZ 2.99Å; Y412-L592 HydrophobicContact CE1-CD2 4.47Å
413A92.8Very high92.5Very high0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-65-50.5175.800000111.8S409 I410 K415 K416 C417 M421 L560 L577 L592S409-A413 PolarHBondContact O-N 2.77Å; I410-A413 WeakPolarHBondContact O-CA 3.45Å; I410-A413 WeakPolarHBondContact O-CB 3.45Å; I410-A413 PolarHBondContact O-N 3.31Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.19Å; A413-K416 PolarHBondContact O-N 2.71Å; A413-K416 VanDerWaalsContact O-N 3.11Å; A413-C417 PolarHBondContact O-N 2.94Å; A413-M421 HydrophobicContact CB-CE 4.3Å; A413-M421 HydrophobicContact CB-SD 4.5Å; A413-L560 HydrophobicContact CB-CD2 3.81Å; A413-L577 HydrophobicContact CB-CD1 3.6Å; A413-L592 HydrophobicContact CB-CD1 3.93Å
414M92.7Very high92.4Very high53 Ų5346.8 Ų46.826%0.26124%0.238SC..Hα-helixtrans-58.9-41.1177.8-60.8-55.9-63.800111.7I410 K416 C417 M421 T555 A557I410-M414 HydrophobicContact CG2-CG 4.27Å; I410-M414 WeakPolarHBondContact O-CG 3.41Å; I410-M414 PolarHBondContact O-N 2.94Å; M414-K416 VanDerWaalsContact C-N 3.34Å; M414-K416 PolarHBondContact O-N 2.87Å; M414-C417 CarbonylContact O-C 3.52Å; M414-M421 HydrophobicContact SD-CE 3.49Å; M414-M421 WeakPolarHBondContact SD-CE 3.44Å; M414-T555 WeakPolarHBondContact CE-O 3.45Å; M414-A557 HydrophobicContact CG-CB 4.17Å; M414-A557 HydrophobicContact SD-CB 4.44Å
415K93.7Very high92.4Very high170 Ų17046.6 Ų46.674%0.73923%0.234SC*.Hα-helixtrans-68.5-27.5177.2-175.3173.6-178.6174.60113.7E411 A413E411-K415 WeakPolarHBondContact O-CB 3.48Å; E411-K415 PolarHBondContact O-N 2.83Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.19Å
416K93.1Very high92.3Very high86 Ų8645.7 Ų45.737%0.37423%0.229SC..Hα-helixtrans-88.7-24.7177.6-79.9-67.8-170.781.70113.6E405 Y412 A413 M414 P418 L592E405-K416 VanDerWaalsContact CD-NZ 3.32Å; E405-K416 IonicContact OE1-NZ 2.62Å; E405-K416 PolarHBondContact OE1-NZ 2.67Å; E405-K416 IonicContact OE2-NZ 3.05Å; E405-K416 PolarHBondContact OE2-NZ 3.26Å; Y412-K416 HydrophobicContact CD1-CG 4.33Å; Y412-K416 HydrophobicContact CE1-CG 4.09Å; Y412-K416 HydrophobicContact CE2-CG 4.49Å; Y412-K416 WeakPolarHBondContact O-CB 3.35Å; Y412-K416 WeakPolarHBondContact O-CG 3.41Å; Y412-K416 PolarHBondContact O-N 2.75Å; Y412-K416 WeakPolarHBondContact OH-CE 3.49Å; Y412-K416 PolarHBondContact OH-NZ 2.99Å; A413-K416 PolarHBondContact O-N 2.71Å; A413-K416 VanDerWaalsContact O-N 3.11Å; M414-K416 VanDerWaalsContact C-N 3.34Å; M414-K416 PolarHBondContact O-N 2.87Å; K416-P418 VanDerWaalsContact O-CD 3.29Å; K416-P418 WeakPolarHBondContact O-CD 2.98Å; K416-L592 HydrophobicContact CB-CD1 3.96Å; K416-L592 HydrophobicContact CB-CD2 4.43Å; K416-L592 HydrophobicContact CG-CD2 4.38Å
417C92.6Very high92.3Very high4 Ų444.9 Ų44.93%0.02722%0.217CC..  trans-118.765.8179.5-58.70000111.4A413 M414 N419 G420 M421 D579A413-C417 PolarHBondContact O-N 2.94Å; M414-C417 CarbonylContact O-C 3.52Å; C417-N419 PolarHBondContact O-N 2.89Å; C417-N419 VanDerWaalsContact O-N 3.12Å; C417-G420 PolarHBondContact O-N 3.17Å; C417-G420 VanDerWaalsContact O-N 3.13Å; C417-M421 HydrophobicContact CB-CB 3.87Å; C417-M421 HydrophobicContact CB-CE 4.13Å; C417-D579 VanDerWaalsContact CA-OD2 3.28Å; C417-D579 WeakPolarHBondContact CA-OD2 3.49Å; C417-D579 HydrophobicContact CB-CB 4.09Å
418P90.8Very high92.1Very high103 Ų10346.7 Ų46.767%0.66923%0.227SC*.THydrogen-bonded Turntrans-67.7-11.3-173.530.7-37.9000113.9K416 G420K416-P418 VanDerWaalsContact O-CD 3.29Å; K416-P418 WeakPolarHBondContact O-CD 2.98Å; P418-G420 VanDerWaalsContact C-N 3.3Å
419N90.9Very high92.2Very high65 Ų6541.3 Ų41.335%0.34821%0.206SC..THydrogen-bonded Turntrans-89.25.9176.1-56.5-77.1000113.3C417 D579 K581C417-N419 PolarHBondContact O-N 2.89Å; C417-N419 VanDerWaalsContact O-N 3.12Å; N419-D579 PolarHBondContact N-OD2 3.15Å; N419-D579 PolarHBondContact ND2-OD1 3.45Å; N419-D579 PolarHBondContact ND2-OD2 3.32Å; N419-K581 HydrophobicContact CB-CB 4.49Å; N419-K581 HydrophobicContact CB-CD 4.16Å; N419-K581 HydrophobicContact CB-CG 4.02Å; N419-K581 VanDerWaalsContact OD1-CD 3.29Å; N419-K581 WeakPolarHBondContact OD1-CD 3.49Å; N419-K581 VanDerWaalsContact OD1-CE 3.28Å; N419-K581 WeakPolarHBondContact OD1-CE 3.3Å; N419-K581 PolarHBondContact OD1-NZ 2.91Å
420G93.1Very high92.4Very high9 Ų942.4 Ų42.49%0.09321%0.207CC..  trans81.9169.6-157.100000111.2C417 P418 V580C417-G420 PolarHBondContact O-N 3.17Å; C417-G420 VanDerWaalsContact O-N 3.13Å; P418-G420 VanDerWaalsContact C-N 3.3Å; G420-V580 WeakPolarHBondContact O-CG2 3.48Å; G420-V580 PolarHBondContact O-N 3.02Å
421M95.8Very high92.7Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-134.6149.3-177.769.2-164.381.700112.2A413 M414 C417 V554 L560 L577 K578A413-M421 HydrophobicContact CB-CE 4.3Å; A413-M421 HydrophobicContact CB-SD 4.5Å; M414-M421 HydrophobicContact SD-CE 3.49Å; M414-M421 WeakPolarHBondContact SD-CE 3.44Å; C417-M421 HydrophobicContact CB-CB 3.87Å; C417-M421 HydrophobicContact CB-CE 4.13Å; M421-V554 HydrophobicContact CG-CB 3.87Å; M421-V554 HydrophobicContact CG-CG1 4.12Å; M421-V554 PolarHBondContact N-O 3.25Å; M421-V554 PolarHBondContact O-N 3.42Å; M421-V554 HydrophobicContact SD-CG1 4.38Å; M421-L560 HydrophobicContact CE-CD2 4.15Å; M421-L560 HydrophobicContact SD-CD1 4.38Å; M421-L560 HydrophobicContact SD-CD2 3.92Å; M421-L577 HydrophobicContact SD-CB 3.9Å; M421-L577 HydrophobicContact SD-CD1 3.8Å; M421-L577 HydrophobicContact SD-CD2 4.23Å; M421-L577 HydrophobicContact SD-CG 4.19Å; M421-K578 CarbonylContact C-O 3.6Å; M421-K578 VanDerWaalsContact CA-O 3.25Å; M421-K578 WeakPolarHBondContact CA-O 3.21Å; M421-K578 WeakPolarHBondContact CB-O 3.45Å
422Y97Very high93Very high38 Ų3839.1 Ų39.115%0.14919%0.191CC..EExtended strand (participates in β ladder)trans-84.2126156.2-65.3-66.2000108.4L528 C529 M551 H553 L577 K578 V580Y422-L528 HydrophobicContact CD2-CD2 3.78Å; Y422-L528 HydrophobicContact CD2-CG 3.93Å; Y422-L528 HydrophobicContact CE2-CG 4.27Å; Y422-C529 HydrophobicContact CE2-CB 4.04Å; Y422-C529 WeakPolarHBondContact OH-CB 3.28Å; Y422-M551 HydrophobicContact CD1-CE 4.27Å; Y422-M551 HydrophobicContact CD1-CG 3.87Å; Y422-M551 HydrophobicContact CD1-SD 3.29Å; Y422-M551 WeakPolarHBondContact CD1-SD 3.29Å; Y422-M551 HydrophobicContact CE1-SD 3.9Å; Y422-M551 HydrophobicContact CG-CE 4Å; Y422-M551 HydrophobicContact CG-CG 4.26Å; Y422-M551 HydrophobicContact CG-SD 3.64Å; Y422-H553 HydrophobicContact CD1-CB 4.2Å; Y422-H553 HydrophobicContact CE1-CB 4.12Å; Y422-L577 WeakPolarHBondContact O-CA 3.41Å; Y422-K578 PolarHBondContact N-O 3.33Å; Y422-K578 PolarHBondContact O-N 3.39Å; Y422-V580 HydrophobicContact CD2-CB 4.47Å; Y422-V580 HydrophobicContact CD2-CG2 3.97Å; Y422-V580 HydrophobicContact CE2-CB 4.13Å; Y422-V580 HydrophobicContact CE2-CG1 3.96Å; Y422-V580 HydrophobicContact CE2-CG2 3.88Å; Y422-V580 HydrophobicContact CG-CG2 4.45Å
423S96.5Very high93.3Very high0 Ų035.5 Ų35.50%018%0.176CC..EExtended strand (participates in β ladder)trans-109.2115.7177-175.10000108.6M551 K552 M563 L577S423-M551 WeakPolarHBondContact O-CA 3.41Å; S423-K552 PolarHBondContact N-O 3.17Å; S423-K552 PolarHBondContact O-N 3.4Å; S423-M563 PolarHBondContact OG-SD 3.11Å; S423-L577 WeakPolarHBondContact OG-CD2 3.15Å
424E95.6Very high93.5Very high5 Ų535.5 Ų35.52%0.02318%0.176CC..EExtended strand (participates in β ladder)trans-114.6148.1-177.4-74.2167-122.300111.4K426 F513 S549 E550 M551 L575 V576 K578E424-K426 PolarHBondContact O-N 2.84Å; E424-F513 WeakPolarHBondContact OE2-CB 3.31Å; E424-S549 WeakPolarHBondContact OE2-CB 3.41Å; E424-S549 PolarHBondContact OE2-OG 2.79Å; E424-E550 VanDerWaalsContact CA-O 3.26Å; E424-E550 WeakPolarHBondContact CA-O 3.41Å; E424-M551 HydrophobicContact CG-CB 3.8Å; E424-M551 HydrophobicContact CG-CE 3.92Å; E424-M551 HydrophobicContact CG-CG 3.92Å; E424-M551 WeakPolarHBondContact OE1-CE 3.24Å; E424-L575 CarbonylContact O-C 3.41Å; E424-L575 WeakPolarHBondContact O-CA 3.43Å; E424-L575 VanDerWaalsContact O-CD2 3.29Å; E424-L575 WeakPolarHBondContact O-CD2 3.46Å; E424-V576 PolarHBondContact N-O 3.06Å; E424-V576 PolarHBondContact O-N 3.42Å; E424-K578 VanDerWaalsContact OE1-CD 3.32Å; E424-K578 WeakPolarHBondContact OE1-CD 3.22Å; E424-K578 WeakPolarHBondContact OE1-CE 3.39Å; E424-K578 IonicContact OE1-NZ 2.7Å; E424-K578 PolarHBondContact OE1-NZ 3.11Å; E424-K578 IonicContact OE2-NZ 3.06Å; E424-K578 PolarHBondContact OE2-NZ 3.31Å
425I93.4Very high93.8Very high16 Ų1633 Ų338%0.08216%0.164CC..EExtended strand (participates in β ladder)trans-58.1129.2171.1-69.3179000109.3Y427 E550 V567 L572I425-Y427 HydrophobicContact CB-CE2 4.33Å; I425-Y427 HydrophobicContact CG2-CD1 4.27Å; I425-Y427 HydrophobicContact CG2-CE1 4.17Å; I425-Y427 HydrophobicContact CG2-CE2 4.5Å; I425-Y427 HydrophobicContact CG2-CG 4.49Å; I425-Y427 VanDerWaalsContact O-CD2 3.25Å; I425-Y427 WeakPolarHBondContact O-CD2 3.2Å; I425-Y427 WeakPolarHBondContact O-CE2 3.5Å; I425-Y427 PolarHBondContact O-N 3.26Å; I425-E550 HydrophobicContact CD1-CB 3.97Å; I425-E550 HydrophobicContact CD1-CG 4.32Å; I425-E550 WeakPolarHBondContact CD1-OE2 3.21Å; I425-E550 HydrophobicContact CG1-CB 4.32Å; I425-E550 PolarHBondContact N-O 3.49Å; I425-V567 HydrophobicContact CG1-CG2 4.46Å; I425-L572 HydrophobicContact CD1-CD1 3.95Å; I425-L572 HydrophobicContact CG1-CD1 4.41Å; I425-L572 HydrophobicContact CG2-CD1 4.09Å
426K93.6Very high93.9Very high37 Ų3725.5 Ų25.516%0.16113%0.132CC..  trans-80.6100.4167.8-163.2-159.2174.3-60.10109.6E424 E573 G574 V576E424-K426 PolarHBondContact O-N 2.84Å; K426-E573 HydrophobicContact CD-CB 4.47Å; K426-E573 HydrophobicContact CD-CG 4.45Å; K426-E573 WeakPolarHBondContact CD-OE1 3.41Å; K426-E573 VanDerWaalsContact CE-OE1 3.24Å; K426-E573 WeakPolarHBondContact CE-OE1 3.26Å; K426-E573 WeakPolarHBondContact CE-OE2 3.39Å; K426-E573 IonicContact NZ-OE1 2.65Å; K426-E573 PolarHBondContact NZ-OE1 3.36Å; K426-E573 VanDerWaalsContact NZ-OE1 3.17Å; K426-E573 IonicContact NZ-OE2 3.34Å; K426-E573 PolarHBondContact NZ-OE2 2.7Å; K426-E573 WeakPolarHBondContact O-CB 3.48Å; K426-G574 VanDerWaalsContact CB-C 3.48Å; K426-G574 VanDerWaalsContact CB-O 3.29Å; K426-G574 WeakPolarHBondContact CB-O 3.34Å; K426-G574 PolarHBondContact N-O 2.82Å; K426-V576 HydrophobicContact CB-CG2 4Å; K426-V576 HydrophobicContact CG-CG2 3.8Å
427Y90.7Very high94Very high25 Ų2525.2 Ų25.210%0.09813%0.134CC..  trans-66.8135.5168.8-54.7-84000111.6I425 G429 L480 F511 E550I425-Y427 HydrophobicContact CB-CE2 4.33Å; I425-Y427 HydrophobicContact CG2-CD1 4.27Å; I425-Y427 HydrophobicContact CG2-CE1 4.17Å; I425-Y427 HydrophobicContact CG2-CE2 4.5Å; I425-Y427 HydrophobicContact CG2-CG 4.49Å; I425-Y427 VanDerWaalsContact O-CD2 3.25Å; I425-Y427 WeakPolarHBondContact O-CD2 3.2Å; I425-Y427 WeakPolarHBondContact O-CE2 3.5Å; I425-Y427 PolarHBondContact O-N 3.26Å; Y427-G429 VanDerWaalsContact C-N 3.33Å; Y427-G429 PolarHBondContact O-N 2.81Å; Y427-L480 HydrophobicContact CD1-CD1 4.23Å; Y427-L480 HydrophobicContact CD1-CD2 4.26Å; Y427-L480 HydrophobicContact CG-CD1 4.09Å; Y427-F511 HydrophobicContact CD1-CD1 4.46Å; Y427-F511 HydrophobicContact CD1-CD2 4.16Å; Y427-F511 HydrophobicContact CD1-CE2 4.25Å; Y427-F511 HydrophobicContact CD1-CG 4.25Å; Y427-F511 HydrophobicContact CD1-CZ 4.45Å; Y427-F511 HydrophobicContact CD2-CB 4.4Å; Y427-F511 AromaticContact CE1-CD1 3.66Å; Y427-F511 HydrophobicContact CE1-CD1 3.66Å; Y427-F511 HydrophobicContact CE1-CD2 4.13Å; Y427-F511 AromaticContact CE1-CE1 3.67Å; Y427-F511 HydrophobicContact CE1-CE1 3.67Å; Y427-F511 HydrophobicContact CE1-CE2 4.12Å; Y427-F511 AromaticContact CE1-CG 3.88Å; Y427-F511 HydrophobicContact CE1-CG 3.88Å; Y427-F511 AromaticContact CE1-CZ 3.89Å; Y427-F511 HydrophobicContact CE1-CZ 3.89Å; Y427-F511 HydrophobicContact CE2-CB 4.18Å; Y427-F511 HydrophobicContact CE2-CD1 4.27Å; Y427-F511 HydrophobicContact CE2-CG 4.28Å; Y427-F511 AromaticContact CZ-CD1 3.55Å; Y427-F511 AromaticContact CZ-CE1 3.94Å; Y427-F511 AromaticContact CZ-CG 3.91Å; Y427-F511 WeakPolarHBondContact OH-CD1 3.13Å; Y427-E550 PolarHBondContact OH-N 3.29Å
428D86.4Confident94.1Very high38 Ų3826.5 Ų26.520%0.20315%0.148CC..  trans-93.263.6173-159.17.3000109.8F492 E573 R721D428-F492 HydrophobicContact CB-CB 4.17Å; D428-F492 VanDerWaalsContact CG-CB 3.46Å; D428-F492 WeakPolarHBondContact O-CB 3.42Å; D428-F492 WeakPolarHBondContact O-CD2 3.24Å; D428-F492 VanDerWaalsContact OD2-CB 3.27Å; D428-F492 WeakPolarHBondContact OD2-CB 3.38Å; D428-E573 WeakPolarHBondContact CA-OE2 3.46Å; D428-E573 HydrophobicContact CB-CB 4.1Å; D428-E573 HydrophobicContact CB-CG 4.02Å; D428-E573 WeakPolarHBondContact CB-OE2 3.48Å; D428-E573 PolarHBondContact N-OE2 2.94Å; D428-R721 VanDerWaalsContact CG-NH2 3.32Å; D428-R721 IonicContact OD1-NH2 3.89Å; D428-R721 PolarHBondContact OD1-NH2 2.88Å; D428-R721 IonicContact OD2-CZ 3.18Å; D428-R721 VanDerWaalsContact OD2-CZ 3.3Å; D428-R721 IonicContact OD2-NH1 2.69Å; D428-R721 PolarHBondContact OD2-NH1 2.86Å; D428-R721 IonicContact OD2-NH2 2.84Å; D428-R721 PolarHBondContact OD2-NH2 2.73Å
429G89.6Confident94.1Very high9 Ų928.8 Ų28.89%0.09316%0.155CC..SBendtrans-112.4-150.8-176.700000113.6Y427 V479Y427-G429 VanDerWaalsContact C-N 3.33Å; Y427-G429 PolarHBondContact O-N 2.81Å; G429-V479 WeakPolarHBondContact CA-O 3.47Å
430E91.5Very high94.3Very high58 Ų5829.8 Ų29.827%0.27116%0.163SC..EExtended strand (participates in β ladder)trans-119.5116.3167.1-76.8171.2-128.500110.2V432 K455 E478 V479 L495E430-V432 WeakPolarHBondContact O-CG2 3.14Å; E430-V432 PolarHBondContact O-N 2.66Å; E430-K455 IonicContact OE1-NZ 2.66Å; E430-K455 PolarHBondContact OE1-NZ 3.28Å; E430-K455 IonicContact OE2-NZ 2.68Å; E430-K455 PolarHBondContact OE2-NZ 3.35Å; E430-E478 VanDerWaalsContact C-OE1 3.31Å; E430-V479 HydrophobicContact CB-CG1 3.94Å; E430-V479 PolarHBondContact N-O 2.81Å; E430-V479 WeakPolarHBondContact O-CG1 3.14Å; E430-V479 PolarHBondContact O-N 2.85Å; E430-L495 HydrophobicContact CB-CD1 4.24Å; E430-L495 HydrophobicContact CG-CD1 4.17Å
431R95.4Very high94.5Very high24 Ų2431.2 Ų31.29%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-61.1123.5176.1-166.5168170.8173.8-4112.2M402 S445 R446 D476 A477 E478 F513M402-R431 VanDerWaalsContact O-CZ 3.3Å; M402-R431 PolarHBondContact O-NH1 3.05Å; M402-R431 PolarHBondContact O-NH2 3.34Å; R431-S445 CarbonylContact O-C 3.57Å; R431-S445 WeakPolarHBondContact O-CA 3.3Å; R431-R446 HydrophobicContact CB-CB 4.24Å; R431-R446 PolarHBondContact O-N 2.6Å; R431-R446 VanDerWaalsContact O-N 3.09Å; R431-D476 IonicContact CZ-OD1 3.72Å; R431-D476 IonicContact CZ-OD2 2.81Å; R431-D476 IonicContact NE-OD1 2.65Å; R431-D476 PolarHBondContact NE-OD1 2.89Å; R431-D476 IonicContact NE-OD2 2.7Å; R431-D476 IonicContact NH2-OD1 3.92Å; R431-D476 PolarHBondContact NH2-OD1 2.84Å; R431-D476 IonicContact NH2-OD2 2.73Å; R431-D476 PolarHBondContact NH2-OD2 2.93Å; R431-A477 CarbonylContact C-O 3.53Å; R431-A477 WeakPolarHBondContact CA-O 3.42Å; R431-A477 WeakPolarHBondContact CG-O 3.24Å; R431-E478 VanDerWaalsContact CA-CD 3.45Å; R431-E478 WeakPolarHBondContact CA-OE1 3.4Å; R431-E478 WeakPolarHBondContact CA-OE2 3.06Å; R431-E478 WeakPolarHBondContact CB-OE2 3.44Å; R431-E478 PolarHBondContact N-OE1 2.88Å; R431-F513 HydrophobicContact CG-CZ 4.09Å
432V97Very high94.5Very high1 Ų133 Ų331%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-122.7116.2177.5-177.50000109.5E430 V434 Y443 F444 V451 V456 A477 V479E430-V432 WeakPolarHBondContact O-CG2 3.14Å; E430-V432 PolarHBondContact O-N 2.66Å; V432-V434 HydrophobicContact CG1-CG2 4.02Å; V432-Y443 HydrophobicContact CG1-CD1 3.91Å; V432-Y443 HydrophobicContact CG1-CG 4.43Å; V432-F444 WeakPolarHBondContact CA-O 3.5Å; V432-V451 HydrophobicContact CG1-CG2 4.08Å; V432-V451 HydrophobicContact CG2-CG1 4.4Å; V432-V451 HydrophobicContact CG2-CG2 3.92Å; V432-V456 HydrophobicContact CG1-CG1 4.4Å; V432-A477 CarbonylContact C-O 3.58Å; V432-A477 PolarHBondContact N-O 2.89Å; V432-A477 PolarHBondContact O-N 2.91Å; V432-A477 VanDerWaalsContact O-O 3.09Å; V432-V479 HydrophobicContact CG2-CB 3.86Å; V432-V479 HydrophobicContact CG2-CG1 3.66Å
433Q97.4Very high94.4Very high4 Ų432.3 Ų32.32%0.01918%0.177CC..EExtended strand (participates in β ladder)trans-84.3118.6165.2-175.2176.481.300108.4V399 H435 F444 I474 L475V399-Q433 PolarHBondContact O-NE2 3.07Å; V399-Q433 PolarHBondContact O-OE1 3.38Å; V399-Q433 VanDerWaalsContact O-OE1 3.11Å; Q433-H435 WeakPolarHBondContact CG-NE2 3.47Å; Q433-H435 PolarHBondContact OE1-NE2 3.4Å; Q433-H435 VanDerWaalsContact OE1-NE2 3.1Å; Q433-F444 HydrophobicContact CB-CB 4.41Å; Q433-F444 PolarHBondContact N-O 3.07Å; Q433-F444 PolarHBondContact O-N 2.91Å; Q433-I474 HydrophobicContact CG-CG2 3.98Å; Q433-L475 CarbonylContact C-O 3.58Å; Q433-L475 WeakPolarHBondContact CA-O 3.4Å
434V97.6Very high94.4Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-99.6121-175.1-1790000109V432 Y443 I463 I474 L475 L510V432-V434 HydrophobicContact CG1-CG2 4.02Å; V434-Y443 HydrophobicContact CB-CD1 4.49Å; V434-Y443 HydrophobicContact CG1-CD1 4.23Å; V434-Y443 HydrophobicContact CG1-CE1 3.87Å; V434-Y443 HydrophobicContact CG2-CD1 4.01Å; V434-Y443 HydrophobicContact CG2-CE1 4.14Å; V434-I463 HydrophobicContact CG1-CD1 3.69Å; V434-I474 CarbonylContact O-C 3.57Å; V434-I474 WeakPolarHBondContact O-CA 3.15Å; V434-L475 HydrophobicContact CB-CB 4.23Å; V434-L475 PolarHBondContact N-O 2.82Å; V434-L475 PolarHBondContact O-N 2.54Å; V434-L510 HydrophobicContact CG2-CD1 4.29Å; V434-L510 HydrophobicContact CG2-CD2 3.97Å
435H97.3Very high94.3Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-111.6134.9171.3-65.5-128.2000109.6M396 T397 Q433 F441 S442 F444 M473M396-H435 HydrophobicContact CE-CB 3.58Å; T397-H435 PolarHBondContact O-CE1 2.89Å; Q433-H435 WeakPolarHBondContact CG-NE2 3.47Å; Q433-H435 PolarHBondContact OE1-NE2 3.4Å; Q433-H435 VanDerWaalsContact OE1-NE2 3.1Å; H435-F441 CarbonylContact O-C 3.54Å; H435-F441 WeakPolarHBondContact O-CA 3.33Å; H435-S442 PolarHBondContact N-O 2.61Å; H435-S442 PolarHBondContact O-N 3.01Å; H435-F444 HydrophobicContact CB-CE2 4.39Å; H435-F444 AromaticContact CD2-CD2 3.46Å; H435-F444 VanDerWaalsContact CD2-CD2 3.46Å; H435-F444 WeakPolarHBondContact CD2-CD2 3.47Å; H435-F444 AromaticContact CD2-CE2 3.61Å; H435-F444 AromaticContact CG-CE2 3.84Å; H435-F444 AromaticContact NE2-CD2 3.66Å; H435-F444 AromaticContact NE2-CE2 3.88Å; H435-M473 WeakPolarHBondContact CA-O 3.35Å
436K96.1Very high94.2Very high13 Ų1340.6 Ų40.66%0.05721%0.211CC..EExtended strand (participates in β ladder)trans-131136.8175.2175.4-171.7-171.1-68.60109.9G438 T440 F441 I463 G470 H471 S472 M473K436-G438 WeakPolarHBondContact CE-O 3.45Å; K436-G438 PolarHBondContact NZ-O 3.26Å; K436-T440 CarbonylContact C-O 3.53Å; K436-T440 WeakPolarHBondContact CA-O 3.43Å; K436-F441 HydrophobicContact CB-CD1 3.98Å; K436-F441 HydrophobicContact CB-CE1 3.96Å; K436-F441 HydrophobicContact CD-CD1 4.47Å; K436-F441 HydrophobicContact CD-CE1 3.62Å; K436-F441 HydrophobicContact CD-CZ 3.89Å; K436-F441 HydrophobicContact CG-CD1 4.07Å; K436-F441 HydrophobicContact CG-CE1 3.66Å; K436-F441 HydrophobicContact CG-CZ 3.99Å; K436-I463 HydrophobicContact CD-CG2 4.01Å; K436-G470 WeakPolarHBondContact CE-O 3.18Å; K436-G470 PolarHBondContact NZ-O 3.28Å; K436-H471 PolarHBondContact NZ-O 3.45Å; K436-S472 VanDerWaalsContact O-CA 3.29Å; K436-S472 WeakPolarHBondContact O-CA 3.25Å; K436-M473 HydrophobicContact CB-CG 3.72Å; K436-M473 HydrophobicContact CB-SD 4.38Å; K436-M473 HydrophobicContact CD-CE 4.03Å; K436-M473 HydrophobicContact CD-CG 4.21Å; K436-M473 HydrophobicContact CD-SD 4.03Å; K436-M473 PolarHBondContact N-O 2.77Å; K436-M473 PolarHBondContact O-N 3.39Å
437N96Very high93.9Very high81 Ų8142.4 Ų42.443%0.43323%0.228SC..EExtended strand (participates in β ladder)trans-137.5108.5169.8-174.525000109.1L395 M396 N439 T440L395-N437 HydrophobicContact CD2-CB 3.72Å; L395-N437 HydrophobicContact CG-CB 4.3Å; M396-N437 HydrophobicContact CE-CB 3.78Å; M396-N437 HydrophobicContact CG-CB 4.3Å; M396-N437 HydrophobicContact SD-CB 3.82Å; N437-N439 PolarHBondContact O-N 2.75Å; N437-N439 VanDerWaalsContact O-N 3.09Å; N437-T440 PolarHBondContact N-O 2.78Å; N437-T440 WeakPolarHBondContact O-CB 3.35Å; N437-T440 PolarHBondContact O-N 2.66Å
438G93.8Very high93.8Very high31 Ų3142 Ų4232%0.3223%0.228SC..THydrogen-bonded Turntrans57.4-115.9-168.900000110.1K436 H471K436-G438 WeakPolarHBondContact CE-O 3.45Å; K436-G438 PolarHBondContact NZ-O 3.26Å; G438-H471 PolarHBondContact N-O 2.93Å
439N92.3Very high93.9Very high151 Ų15146.5 Ų46.581%0.80725%0.246SC*.THydrogen-bonded Turntrans-100.1-0.6177.1-63.2-16.7000113.5N437 F441N437-N439 PolarHBondContact O-N 2.75Å; N437-N439 VanDerWaalsContact O-N 3.09Å; N439-F441 VanDerWaalsContact O-CD2 3.27Å; N439-F441 WeakPolarHBondContact O-CD2 3.48Å
440T94.9Very high93.9Very high85 Ų8551.1 Ų51.152%0.52127%0.274SS..EExtended strand (participates in β ladder)trans-85.4127.9176.5-55.30000110M396 K436 N437M396-T440 HydrophobicContact SD-CG2 3.91Å; K436-T440 CarbonylContact C-O 3.53Å; K436-T440 WeakPolarHBondContact CA-O 3.43Å; N437-T440 PolarHBondContact N-O 2.78Å; N437-T440 WeakPolarHBondContact O-CB 3.35Å; N437-T440 PolarHBondContact O-N 2.66Å
441F96Very high93.9Very high40 Ų4049.1 Ų49.118%0.17527%0.266CS..EExtended strand (participates in β ladder)trans-118.7142.2178-66.6-94.4000110.9H435 K436 N439 Y443 K460 I463 P464H435-F441 CarbonylContact O-C 3.54Å; H435-F441 WeakPolarHBondContact O-CA 3.33Å; K436-F441 HydrophobicContact CB-CD1 3.98Å; K436-F441 HydrophobicContact CB-CE1 3.96Å; K436-F441 HydrophobicContact CD-CD1 4.47Å; K436-F441 HydrophobicContact CD-CE1 3.62Å; K436-F441 HydrophobicContact CD-CZ 3.89Å; K436-F441 HydrophobicContact CG-CD1 4.07Å; K436-F441 HydrophobicContact CG-CE1 3.66Å; K436-F441 HydrophobicContact CG-CZ 3.99Å; N439-F441 VanDerWaalsContact O-CD2 3.27Å; N439-F441 WeakPolarHBondContact O-CD2 3.48Å; F441-Y443 HydrophobicContact CB-CE2 3.71Å; F441-K460 HydrophobicContact CD2-CB 3.86Å; F441-K460 HydrophobicContact CE2-CB 3.87Å; F441-K460 HydrophobicContact CG-CB 4.45Å; F441-K460 HydrophobicContact CZ-CB 4.45Å; F441-I463 HydrophobicContact CD1-CD1 3.89Å; F441-I463 HydrophobicContact CE1-CB 3.83Å; F441-I463 HydrophobicContact CE1-CD1 3.69Å; F441-I463 HydrophobicContact CE1-CG1 4.38Å; F441-I463 HydrophobicContact CE1-CG2 3.89Å; F441-I463 HydrophobicContact CZ-CB 4.4Å; F441-P464 HydrophobicContact CZ-CG 4.11Å
442S95.6Very high93.6Very high36 Ų3652.9 Ų52.925%0.25229%0.287SS..EExtended strand (participates in β ladder)trans-136.6137.5171.4-74.30000109.8H435H435-S442 PolarHBondContact N-O 2.61Å; H435-S442 PolarHBondContact O-N 3.01Å
443Y96.3Very high93.2Very high25 Ų2557.1 Ų57.110%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-125112.9-173.1-59.9-85.3000108.8V432 V434 F441 P450 V451 V456 F459 K460 I463V432-Y443 HydrophobicContact CG1-CD1 3.91Å; V432-Y443 HydrophobicContact CG1-CG 4.43Å; V434-Y443 HydrophobicContact CB-CD1 4.49Å; V434-Y443 HydrophobicContact CG1-CD1 4.23Å; V434-Y443 HydrophobicContact CG1-CE1 3.87Å; V434-Y443 HydrophobicContact CG2-CD1 4.01Å; V434-Y443 HydrophobicContact CG2-CE1 4.14Å; F441-Y443 HydrophobicContact CB-CE2 3.71Å; Y443-P450 CarbonylContact O-C 3.49Å; Y443-P450 WeakPolarHBondContact O-CA 3.41Å; Y443-V451 PolarHBondContact O-N 3.28Å; Y443-V456 HydrophobicContact CD1-CB 3.84Å; Y443-V456 HydrophobicContact CD1-CG1 3.95Å; Y443-V456 HydrophobicContact CD1-CG2 4.44Å; Y443-V456 HydrophobicContact CD2-CB 3.85Å; Y443-V456 HydrophobicContact CD2-CG2 3.66Å; Y443-V456 HydrophobicContact CE1-CB 4.13Å; Y443-V456 HydrophobicContact CE2-CB 4.13Å; Y443-V456 HydrophobicContact CE2-CG2 4.23Å; Y443-V456 HydrophobicContact CG-CB 3.7Å; Y443-V456 HydrophobicContact CG-CG1 4.01Å; Y443-V456 HydrophobicContact CG-CG2 3.79Å; Y443-F459 HydrophobicContact CE1-CB 4.24Å; Y443-F459 HydrophobicContact CE1-CD2 4.41Å; Y443-K460 PolarHBondContact OH-N 2.85Å; Y443-I463 HydrophobicContact CE1-CD1 4.16Å
444F95.2Very high92.6Very high21 Ų2159.9 Ų59.99%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-108.4127.3-177.9-56.6-73.1000110.8M396 P398 V432 Q433 H435 L448M396-F444 WeakPolarHBondContact O-CZ 3.34Å; P398-F444 HydrophobicContact CB-CB 4.21Å; P398-F444 HydrophobicContact CB-CD1 4.04Å; P398-F444 HydrophobicContact CB-CD2 3.81Å; P398-F444 HydrophobicContact CB-CE1 4.37Å; P398-F444 HydrophobicContact CB-CE2 4.16Å; P398-F444 HydrophobicContact CB-CG 3.75Å; P398-F444 HydrophobicContact CB-CZ 4.43Å; P398-F444 HydrophobicContact CG-CD1 4.03Å; P398-F444 HydrophobicContact CG-CD2 4.45Å; P398-F444 HydrophobicContact CG-CE1 4.02Å; P398-F444 HydrophobicContact CG-CE2 4.42Å; P398-F444 HydrophobicContact CG-CG 4.26Å; P398-F444 HydrophobicContact CG-CZ 4.22Å; V432-F444 WeakPolarHBondContact CA-O 3.5Å; Q433-F444 HydrophobicContact CB-CB 4.41Å; Q433-F444 PolarHBondContact N-O 3.07Å; Q433-F444 PolarHBondContact O-N 2.91Å; H435-F444 HydrophobicContact CB-CE2 4.39Å; H435-F444 AromaticContact CD2-CD2 3.46Å; H435-F444 VanDerWaalsContact CD2-CD2 3.46Å; H435-F444 WeakPolarHBondContact CD2-CD2 3.47Å; H435-F444 AromaticContact CD2-CE2 3.61Å; H435-F444 AromaticContact CG-CE2 3.84Å; H435-F444 AromaticContact NE2-CD2 3.66Å; H435-F444 AromaticContact NE2-CE2 3.88Å; F444-L448 HydrophobicContact CB-CD2 4.32Å
445S93.8Very high92.2Very high25 Ų2560.8 Ų60.818%0.17533%0.331CS..EExtended strand (participates in β ladder)trans-66.1169.5173.962.60000111.6R431 S447 L448 K449R431-S445 CarbonylContact O-C 3.57Å; R431-S445 WeakPolarHBondContact O-CA 3.3Å; S445-S447 PolarHBondContact O-N 2.95Å; S445-S447 PolarHBondContact OG-N 3.36Å; S445-S447 PolarHBondContact OG-OG 2.72Å; S445-L448 WeakPolarHBondContact O-CA 3.22Å; S445-L448 PolarHBondContact O-N 2.89Å; S445-K449 WeakPolarHBondContact CB-O 3.33Å; S445-K449 PolarHBondContact N-O 3.36Å; S445-K449 PolarHBondContact OG-N 3.05Å; S445-K449 PolarHBondContact OG-O 3.03Å
446R91.5Very high91.9Very high149 Ų14961 Ų6156%0.56233%0.332SS*.THydrogen-bonded Turntrans-46.2-29.5165.1-170.3175.5-179.7160.53.5115R431 L448R431-R446 HydrophobicContact CB-CB 4.24Å; R431-R446 PolarHBondContact O-N 2.6Å; R431-R446 VanDerWaalsContact O-N 3.09Å; R446-L448 VanDerWaalsContact C-N 3.33Å
447S86.9Confident91.6Very high75 Ų7562.6 Ų62.652%0.52435%0.348SS..THydrogen-bonded Turntrans-87.90.1178.273.90000114.2S445 K449S445-S447 PolarHBondContact O-N 2.95Å; S445-S447 PolarHBondContact OG-N 3.36Å; S445-S447 PolarHBondContact OG-OG 2.72Å; S447-K449 PolarHBondContact O-N 3.21Å; S447-K449 WeakPolarHBondContact OG-CG 3.27Å
448L89.3Confident91.2Very high17 Ų1762.1 Ų62.19%0.08934%0.343CS..SBendtrans61.613.5-175.6-53.2172.7000114.9P398 F444 S445 R446P398-L448 HydrophobicContact CB-CB 4.16Å; P398-L448 HydrophobicContact CB-CD1 4.46Å; P398-L448 HydrophobicContact CB-CD2 3.76Å; P398-L448 HydrophobicContact CB-CG 4.32Å; P398-L448 HydrophobicContact CG-CB 4.39Å; F444-L448 HydrophobicContact CB-CD2 4.32Å; S445-L448 WeakPolarHBondContact O-CA 3.22Å; S445-L448 PolarHBondContact O-N 2.89Å; R446-L448 VanDerWaalsContact C-N 3.33Å
449K88.7Confident91.3Very high132 Ų13260.7 Ų60.757%0.57433%0.328SS*.SBendtrans-75148.4160-63.4-176.9174.6-168.20110.4S445 S447S445-K449 WeakPolarHBondContact CB-O 3.33Å; S445-K449 PolarHBondContact N-O 3.36Å; S445-K449 PolarHBondContact OG-N 3.05Å; S445-K449 PolarHBondContact OG-O 3.03Å; S447-K449 PolarHBondContact O-N 3.21Å; S447-K449 WeakPolarHBondContact OG-CG 3.27Å
450P90Very high91.3Very high105 Ų10559 Ų5968%0.68231%0.314SS*.BIsolated β-bridgetrans-52141.6168.8-26.535.2000112.7Y443Y443-P450 CarbonylContact O-C 3.49Å; Y443-P450 WeakPolarHBondContact O-CA 3.41Å
451V91.8Very high91.2Very high17 Ų1759 Ų5910%0.10331%0.308CS..PPolyproline II helixtrans-80144.3174.4-176.70000110V432 Y443 K455 V456V432-V451 HydrophobicContact CG1-CG2 4.08Å; V432-V451 HydrophobicContact CG2-CG1 4.4Å; V432-V451 HydrophobicContact CG2-CG2 3.92Å; Y443-V451 PolarHBondContact O-N 3.28Å; V451-K455 HydrophobicContact CG1-CB 4.16Å; V451-K455 HydrophobicContact CG1-CD 4.41Å; V451-V456 HydrophobicContact CB-CG1 4.1Å; V451-V456 HydrophobicContact CB-CG2 4.23Å; V451-V456 HydrophobicContact CG1-CG1 3.62Å; V451-V456 HydrophobicContact CG1-CG2 4.2Å
452L88.1Confident91.2Very high102 Ų10259.4 Ų59.453%0.53431%0.308SS..PPolyproline II helixtrans-64.4130.5-178.1-62.5176.2000111.2H454 K455L452-H454 VanDerWaalsContact C-N 3.28Å; L452-H454 VanDerWaalsContact CB-CE1 3.5Å; L452-H454 WeakPolarHBondContact CB-CE1 3.41Å; L452-H454 PolarHBondContact O-N 3.37Å; L452-K455 PolarHBondContact O-N 3.47Å
453P89.4Confident91.2Very high91 Ų9157.7 Ų57.759%0.59130%0.296SS*.Hα-helixtrans-53-36.3-169.9-31.936.1000115.7K455 V456 A457P453-K455 PolarHBondContact O-N 2.94Å; P453-V456 PolarHBondContact O-N 3.46Å; P453-A457 WeakPolarHBondContact O-CB 3.39Å; P453-A457 PolarHBondContact O-N 3.3Å
454H84.9Confident91.1Very high61 Ų6159.2 Ų59.228%0.28231%0.31SS..Hα-helixtrans-61.4-14.3-179.964.3-104000114.9L452 V497 K500L452-H454 VanDerWaalsContact C-N 3.28Å; L452-H454 VanDerWaalsContact CB-CE1 3.5Å; L452-H454 WeakPolarHBondContact CB-CE1 3.41Å; L452-H454 PolarHBondContact O-N 3.37Å; H454-V497 WeakPolarHBondContact CE1-CG2 3.46Å; H454-V497 WeakPolarHBondContact NE2-CG2 3.23Å; H454-K500 PolarHBondContact O-NZ 3.38Å
455K87.8Confident91.1Very high19 Ų1963.5 Ų63.58%0.08333%0.33CS..Hα-helixtrans-95.5-21175.5-52.1-169.7-173.9-177.80113.7E430 V451 L452 P453 F459 L495 V508E430-K455 IonicContact OE1-NZ 2.66Å; E430-K455 PolarHBondContact OE1-NZ 3.28Å; E430-K455 IonicContact OE2-NZ 2.68Å; E430-K455 PolarHBondContact OE2-NZ 3.35Å; V451-K455 HydrophobicContact CG1-CB 4.16Å; V451-K455 HydrophobicContact CG1-CD 4.41Å; L452-K455 PolarHBondContact O-N 3.47Å; P453-K455 PolarHBondContact O-N 2.94Å; K455-F459 WeakPolarHBondContact O-CE2 3.4Å; K455-L495 HydrophobicContact CD-CB 4.4Å; K455-L495 WeakPolarHBondContact CE-O 3.35Å; K455-V508 WeakPolarHBondContact O-CG1 3.37Å
456V91.4Very high91.2Very high4 Ų462.3 Ų62.32%0.02432%0.321CS..Hα-helixtrans-134.5-18.2-165.6-67.60000115.7V432 Y443 V451 P453 H458 F459V432-V456 HydrophobicContact CG1-CG1 4.4Å; Y443-V456 HydrophobicContact CD1-CB 3.84Å; Y443-V456 HydrophobicContact CD1-CG1 3.95Å; Y443-V456 HydrophobicContact CD1-CG2 4.44Å; Y443-V456 HydrophobicContact CD2-CB 3.85Å; Y443-V456 HydrophobicContact CD2-CG2 3.66Å; Y443-V456 HydrophobicContact CE1-CB 4.13Å; Y443-V456 HydrophobicContact CE2-CB 4.13Å; Y443-V456 HydrophobicContact CE2-CG2 4.23Å; Y443-V456 HydrophobicContact CG-CB 3.7Å; Y443-V456 HydrophobicContact CG-CG1 4.01Å; Y443-V456 HydrophobicContact CG-CG2 3.79Å; V451-V456 HydrophobicContact CB-CG1 4.1Å; V451-V456 HydrophobicContact CB-CG2 4.23Å; V451-V456 HydrophobicContact CG1-CG1 3.62Å; V451-V456 HydrophobicContact CG1-CG2 4.2Å; P453-V456 PolarHBondContact O-N 3.46Å; V456-H458 PolarHBondContact O-N 2.92Å; V456-H458 VanDerWaalsContact O-N 3.13Å; V456-F459 HydrophobicContact CB-CD2 4.14Å; V456-F459 HydrophobicContact CG1-CD2 4.22Å; V456-F459 HydrophobicContact CG1-CE2 4.26Å; V456-F459 PolarHBondContact O-N 2.95Å
457A89.2Confident91.4Very high47 Ų4755.4 Ų55.439%0.38830%0.296SS..THydrogen-bonded Turntrans-59.4-31-173.600000113.6P453 F459 K460P453-A457 WeakPolarHBondContact O-CB 3.39Å; P453-A457 PolarHBondContact O-N 3.3Å; A457-F459 VanDerWaalsContact C-N 3.33Å; A457-F459 PolarHBondContact O-N 3.17Å; A457-K460 WeakPolarHBondContact O-CD 3.23Å; A457-K460 VanDerWaalsContact O-CG 3.26Å; A457-K460 WeakPolarHBondContact O-CG 3.42Å
458H89.2Confident91.7Very high71 Ų7156 Ų5633%0.32930%0.297SS..THydrogen-bonded Turntrans-67-29.9177.1-51.6-68.7000112.8V456 K460 E461 Y462V456-H458 PolarHBondContact O-N 2.92Å; V456-H458 VanDerWaalsContact O-N 3.13Å; H458-K460 PolarHBondContact O-N 2.73Å; H458-K460 VanDerWaalsContact O-N 3.1Å; H458-E461 WeakPolarHBondContact O-CB 3.48Å; H458-E461 PolarHBondContact O-N 2.98Å; H458-Y462 HydrophobicContact CB-CE2 4.26Å; H458-Y462 VanDerWaalsContact O-CD2 3.23Å; H458-Y462 WeakPolarHBondContact O-CD2 3.44Å
459F94.1Very high91.6Very high2 Ų257.3 Ų57.31%0.00932%0.315CS..Hα-helixtrans-66.6-16.9-175.3-61.2-51.7000113.7Y443 K455 V456 A457 E461 Y462 I463 V479 V508 L510 R545 I546Y443-F459 HydrophobicContact CE1-CB 4.24Å; Y443-F459 HydrophobicContact CE1-CD2 4.41Å; K455-F459 WeakPolarHBondContact O-CE2 3.4Å; V456-F459 HydrophobicContact CB-CD2 4.14Å; V456-F459 HydrophobicContact CG1-CD2 4.22Å; V456-F459 HydrophobicContact CG1-CE2 4.26Å; V456-F459 PolarHBondContact O-N 2.95Å; A457-F459 VanDerWaalsContact C-N 3.33Å; A457-F459 PolarHBondContact O-N 3.17Å; F459-E461 PolarHBondContact O-N 3.18Å; F459-E461 VanDerWaalsContact O-N 3.17Å; F459-Y462 PolarHBondContact O-N 3.4Å; F459-I463 HydrophobicContact CB-CD1 3.73Å; F459-I463 HydrophobicContact CB-CG1 4.11Å; F459-I463 WeakPolarHBondContact O-CB 3.28Å; F459-I463 WeakPolarHBondContact O-CD1 3.25Å; F459-I463 VanDerWaalsContact O-CG1 3.22Å; F459-I463 WeakPolarHBondContact O-CG1 3.48Å; F459-I463 PolarHBondContact O-N 2.87Å; F459-V479 HydrophobicContact CE2-CG2 3.69Å; F459-V479 HydrophobicContact CZ-CG2 3.8Å; F459-V508 HydrophobicContact CE2-CG1 4.44Å; F459-V508 HydrophobicContact CZ-CB 4.38Å; F459-V508 HydrophobicContact CZ-CG1 4.01Å; F459-L510 HydrophobicContact CD1-CB 4.37Å; F459-L510 HydrophobicContact CE1-CB 3.9Å; F459-L510 HydrophobicContact CE2-CB 4.33Å; F459-L510 HydrophobicContact CE2-CD1 4.33Å; F459-L510 HydrophobicContact CZ-CB 3.88Å; F459-R545 WeakPolarHBondContact CE1-O 3.18Å; F459-I546 HydrophobicContact CD1-CG1 4.4Å
460K93.2Very high91.7Very high114 Ų11451.2 Ų51.250%0.49629%0.29SS..Hα-helixtrans-55.8-29.917179.4-173.1175.11670112.6F441 Y443 A457 H458 P464F441-K460 HydrophobicContact CD2-CB 3.86Å; F441-K460 HydrophobicContact CE2-CB 3.87Å; F441-K460 HydrophobicContact CG-CB 4.45Å; F441-K460 HydrophobicContact CZ-CB 4.45Å; Y443-K460 PolarHBondContact OH-N 2.85Å; A457-K460 WeakPolarHBondContact O-CD 3.23Å; A457-K460 VanDerWaalsContact O-CG 3.26Å; A457-K460 WeakPolarHBondContact O-CG 3.42Å; H458-K460 PolarHBondContact O-N 2.73Å; H458-K460 VanDerWaalsContact O-N 3.1Å; K460-P464 WeakPolarHBondContact O-CD 3.26Å; K460-P464 WeakPolarHBondContact O-CG 3.42Å
461E93.3Very high91.7Very high86 Ų8652.3 Ų52.340%0.40229%0.286SS..Hα-helixtrans-83.7-36.2-178.7-71.8141.9-152.900111.4H458 F459 Q465H458-E461 WeakPolarHBondContact O-CB 3.48Å; H458-E461 PolarHBondContact O-N 2.98Å; F459-E461 PolarHBondContact O-N 3.18Å; F459-E461 VanDerWaalsContact O-N 3.17Å; E461-Q465 PolarHBondContact O-NE2 3.37Å
462Y95.4Very high91.9Very high48 Ų4852.2 Ų52.219%0.18829%0.286CS..Hα-helixtrans-94.1-31.7-172.9-55.5-75000114H458 F459 Q465 A466 V542 R545 I546H458-Y462 HydrophobicContact CB-CE2 4.26Å; H458-Y462 VanDerWaalsContact O-CD2 3.23Å; H458-Y462 WeakPolarHBondContact O-CD2 3.44Å; F459-Y462 PolarHBondContact O-N 3.4Å; Y462-Q465 WeakPolarHBondContact O-CB 3.42Å; Y462-Q465 PolarHBondContact O-N 2.77Å; Y462-A466 PolarHBondContact O-N 3.2Å; Y462-V542 HydrophobicContact CD1-CG1 3.91Å; Y462-R545 HydrophobicContact CD1-CB 4.2Å; Y462-R545 HydrophobicContact CD1-CG 3.84Å; Y462-R545 HydrophobicContact CD2-CB 4.48Å; Y462-R545 HydrophobicContact CD2-CG 4.23Å; Y462-R545 HydrophobicContact CE1-CG 3.83Å; Y462-R545 HydrophobicContact CE2-CG 4.28Å; Y462-R545 HydrophobicContact CG-CB 4.08Å; Y462-R545 HydrophobicContact CG-CG 4.03Å; Y462-R545 PolarHBondContact OH-NE 3.18Å; Y462-I546 VanDerWaalsContact C-CD1 3.47Å
463I95.8Very high92.3Very high0 Ų047.3 Ų47.30%026%0.26CS..Hα-helixtrans-59.4-40.4178.4-66160.1000112.2V434 K436 F441 Y443 F459 Q465 A466 F467 M473 I546V434-I463 HydrophobicContact CG1-CD1 3.69Å; K436-I463 HydrophobicContact CD-CG2 4.01Å; F441-I463 HydrophobicContact CD1-CD1 3.89Å; F441-I463 HydrophobicContact CE1-CB 3.83Å; F441-I463 HydrophobicContact CE1-CD1 3.69Å; F441-I463 HydrophobicContact CE1-CG1 4.38Å; F441-I463 HydrophobicContact CE1-CG2 3.89Å; F441-I463 HydrophobicContact CZ-CB 4.4Å; Y443-I463 HydrophobicContact CE1-CD1 4.16Å; F459-I463 HydrophobicContact CB-CD1 3.73Å; F459-I463 HydrophobicContact CB-CG1 4.11Å; F459-I463 WeakPolarHBondContact O-CB 3.28Å; F459-I463 WeakPolarHBondContact O-CD1 3.25Å; F459-I463 VanDerWaalsContact O-CG1 3.22Å; F459-I463 WeakPolarHBondContact O-CG1 3.48Å; F459-I463 PolarHBondContact O-N 2.87Å; I463-Q465 VanDerWaalsContact C-N 3.26Å; I463-Q465 PolarHBondContact O-N 2.84Å; I463-A466 PolarHBondContact O-N 3.13Å; I463-F467 HydrophobicContact CG2-CD2 4.15Å; I463-F467 PolarHBondContact O-N 3.31Å; I463-M473 HydrophobicContact CG2-SD 3.94Å; I463-I546 HydrophobicContact CB-CD1 4.24Å; I463-I546 HydrophobicContact CG1-CD1 3.62Å
464P95Very high92.7Very high58 Ų5843 Ų4338%0.37723%0.232SC..Hα-helixtrans-63.8-27.7173.8-23.235.3000114.3F441 K460F441-P464 HydrophobicContact CZ-CG 4.11Å; K460-P464 WeakPolarHBondContact O-CD 3.26Å; K460-P464 WeakPolarHBondContact O-CG 3.42Å
465Q95.3Very high93.3Very high110 Ų11040.1 Ų40.151%0.51422%0.219SC..Hα-helixtrans-77-42.8175.3-57.2172.143.900110.5E461 Y462 I463 F467 V542E461-Q465 PolarHBondContact O-NE2 3.37Å; Y462-Q465 WeakPolarHBondContact O-CB 3.42Å; Y462-Q465 PolarHBondContact O-N 2.77Å; I463-Q465 VanDerWaalsContact C-N 3.26Å; I463-Q465 PolarHBondContact O-N 2.84Å; Q465-F467 VanDerWaalsContact C-N 3.34Å; Q465-F467 PolarHBondContact O-N 3.18Å; Q465-V542 HydrophobicContact CB-CG2 4.23Å
466A95.8Very high93.8Very high0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-69.5-27178.500000113.3Y462 I463 M539 V540 V542 I546Y462-A466 PolarHBondContact O-N 3.2Å; I463-A466 PolarHBondContact O-N 3.13Å; A466-M539 HydrophobicContact CB-CG 4.49Å; A466-M539 CarbonylContact O-C 3.51Å; A466-M539 VanDerWaalsContact O-CA 3.25Å; A466-M539 WeakPolarHBondContact O-CA 3.09Å; A466-V540 VanDerWaalsContact CA-O 3.29Å; A466-V540 WeakPolarHBondContact CA-O 3.34Å; A466-V540 WeakPolarHBondContact CB-O 3.25Å; A466-V540 PolarHBondContact O-N 3.49Å; A466-V542 HydrophobicContact CB-CG2 3.9Å; A466-I546 HydrophobicContact CB-CB 4.18Å; A466-I546 HydrophobicContact CB-CD1 3.84Å; A466-I546 HydrophobicContact CB-CG2 3.98Å
467F95.5Very high94Very high5 Ų539.1 Ų39.12%0.02221%0.214CC..SBendtrans-127.874.5180-68.5-90.8000112.3I463 Q465 G469 G470 M473 L475 F518 L535 M539I463-F467 HydrophobicContact CG2-CD2 4.15Å; I463-F467 PolarHBondContact O-N 3.31Å; Q465-F467 VanDerWaalsContact C-N 3.34Å; Q465-F467 PolarHBondContact O-N 3.18Å; F467-G469 PolarHBondContact O-N 2.97Å; F467-G470 PolarHBondContact O-N 3.47Å; F467-M473 HydrophobicContact CB-CE 3.56Å; F467-M473 HydrophobicContact CB-SD 4.49Å; F467-M473 HydrophobicContact CD1-CE 4.18Å; F467-M473 HydrophobicContact CD2-CE 4.36Å; F467-M473 HydrophobicContact CD2-SD 4.23Å; F467-M473 HydrophobicContact CG-CE 3.8Å; F467-M473 HydrophobicContact CG-SD 4.21Å; F467-L475 HydrophobicContact CD2-CD1 4.28Å; F467-L475 HydrophobicContact CE1-CD1 4.44Å; F467-L475 HydrophobicContact CE1-CD2 4.11Å; F467-L475 HydrophobicContact CE2-CD1 3.44Å; F467-L475 VanDerWaalsContact CE2-CD1 3.44Å; F467-L475 HydrophobicContact CZ-CD1 3.54Å; F467-L475 HydrophobicContact CZ-CD2 3.83Å; F467-L475 HydrophobicContact CZ-CG 4.35Å; F467-F518 AromaticContact CD1-CE2 3.98Å; F467-F518 HydrophobicContact CD1-CE2 3.98Å; F467-L535 HydrophobicContact CE1-CD2 4.04Å; F467-L535 HydrophobicContact CZ-CD2 4.08Å; F467-M539 HydrophobicContact CD1-CB 4.13Å; F467-M539 HydrophobicContact CD2-CG 4.43Å; F467-M539 HydrophobicContact CE1-CB 3.62Å; F467-M539 HydrophobicContact CE1-CG 3.98Å; F467-M539 HydrophobicContact CE1-SD 4.27Å; F467-M539 HydrophobicContact CE2-CB 4.42Å; F467-M539 HydrophobicContact CE2-CG 3.85Å; F467-M539 HydrophobicContact CE2-SD 3.77Å; F467-M539 HydrophobicContact CZ-CB 3.78Å; F467-M539 HydrophobicContact CZ-CG 3.62Å; F467-M539 HydrophobicContact CZ-SD 3.44Å; F467-M539 WeakPolarHBondContact CZ-SD 3.3Å
468P91.6Very high94.4Very high86 Ų8638.2 Ų38.256%0.55820%0.202SC*.THydrogen-bonded Turntrans-55.6124.6175-23.935000111.4G470P468-G470 VanDerWaalsContact C-N 3.25Å; P468-G470 PolarHBondContact O-N 2.89Å
469G87.6Confident94.6Very high45 Ų4534.8 Ų34.846%0.46419%0.186SC..THydrogen-bonded Turntrans75.13.7-17700000115.7F467 H471 N519F467-G469 PolarHBondContact O-N 2.97Å; G469-H471 PolarHBondContact O-CE1 2.94Å; G469-H471 PolarHBondContact O-N 2.63Å; G469-H471 VanDerWaalsContact O-N 3.1Å; G469-H471 PolarHBondContact O-ND1 3.13Å; G469-N519 PolarHBondContact O-ND2 3.06Å
470G90.4Very high94.5Very high4 Ų435 Ų354%0.04119%0.187CC..  trans-76.387170.800000111.9K436 F467 P468 M473K436-G470 WeakPolarHBondContact CE-O 3.18Å; K436-G470 PolarHBondContact NZ-O 3.28Å; F467-G470 PolarHBondContact O-N 3.47Å; P468-G470 VanDerWaalsContact C-N 3.25Å; P468-G470 PolarHBondContact O-N 2.89Å; G470-M473 WeakPolarHBondContact O-CE 3.39Å
471H91.8Very high94.3Very high128 Ų12829.7 Ų29.759%0.59316%0.164SC*.  trans-77.8-46-176.9-65.483.2000111.7K436 G438 G469 N519K436-H471 PolarHBondContact NZ-O 3.45Å; G438-H471 PolarHBondContact N-O 2.93Å; G469-H471 PolarHBondContact O-CE1 2.94Å; G469-H471 PolarHBondContact O-N 2.63Å; G469-H471 VanDerWaalsContact O-N 3.1Å; G469-H471 PolarHBondContact O-ND1 3.13Å; H471-N519 PolarHBondContact N-OD1 3.21Å
472S95.3Very high94.1Very high15 Ų1525.6 Ų25.611%0.10515%0.145CC..EExtended strand (participates in β ladder)trans-128.1139.8172.356.40000111.2L395 K436 F518 N519 G520L395-S472 VanDerWaalsContact CD2-CB 3.5Å; K436-S472 VanDerWaalsContact O-CA 3.29Å; K436-S472 WeakPolarHBondContact O-CA 3.25Å; S472-F518 CarbonylContact O-C 3.53Å; S472-F518 WeakPolarHBondContact O-CA 3.29Å; S472-N519 PolarHBondContact N-OD1 3.06Å; S472-N519 PolarHBondContact O-N 3.45Å; S472-N519 PolarHBondContact O-OD1 3.09Å; S472-N519 WeakPolarHBondContact OG-CA 3.34Å; S472-G520 PolarHBondContact OG-N 2.92Å
473M96.5Very high93.7Very high0 Ų024.9 Ų24.90%015%0.145CC..EExtended strand (participates in β ladder)trans-160.7157.3-178.957.7-177.667.600112.8H435 K436 I463 F467 G470 L475 Y517 F518H435-M473 WeakPolarHBondContact CA-O 3.35Å; K436-M473 HydrophobicContact CB-CG 3.72Å; K436-M473 HydrophobicContact CB-SD 4.38Å; K436-M473 HydrophobicContact CD-CE 4.03Å; K436-M473 HydrophobicContact CD-CG 4.21Å; K436-M473 HydrophobicContact CD-SD 4.03Å; K436-M473 PolarHBondContact N-O 2.77Å; K436-M473 PolarHBondContact O-N 3.39Å; I463-M473 HydrophobicContact CG2-SD 3.94Å; F467-M473 HydrophobicContact CB-CE 3.56Å; F467-M473 HydrophobicContact CB-SD 4.49Å; F467-M473 HydrophobicContact CD1-CE 4.18Å; F467-M473 HydrophobicContact CD2-CE 4.36Å; F467-M473 HydrophobicContact CD2-SD 4.23Å; F467-M473 HydrophobicContact CG-CE 3.8Å; F467-M473 HydrophobicContact CG-SD 4.21Å; G470-M473 WeakPolarHBondContact O-CE 3.39Å; M473-L475 HydrophobicContact CG-CG 4.48Å; M473-L475 HydrophobicContact SD-CD1 3.89Å; M473-L475 HydrophobicContact SD-CD2 4.37Å; M473-L475 HydrophobicContact SD-CG 4.1Å; M473-Y517 CarbonylContact C-O 3.57Å; M473-Y517 VanDerWaalsContact CA-O 3.23Å; M473-Y517 WeakPolarHBondContact CA-O 3.47Å; M473-F518 HydrophobicContact CB-CD2 3.99Å; M473-F518 HydrophobicContact CE-CD2 4.37Å; M473-F518 HydrophobicContact CE-CE2 3.86Å
474I97.4Very high93.3Very high0 Ų027.1 Ų27.10%016%0.158CC..EExtended strand (participates in β ladder)trans-128.5118163.6-53.1172.5000108A393 L395 V399 Q433 V434 I516 Y517A393-I474 HydrophobicContact CB-CD1 4.33Å; L395-I474 HydrophobicContact CD1-CD1 4.44Å; L395-I474 HydrophobicContact CD1-CG1 3.97Å; V399-I474 HydrophobicContact CG2-CD1 4.06Å; V399-I474 HydrophobicContact CG2-CG2 4.46Å; Q433-I474 HydrophobicContact CG-CG2 3.98Å; V434-I474 CarbonylContact O-C 3.57Å; V434-I474 WeakPolarHBondContact O-CA 3.15Å; I474-I516 HydrophobicContact CB-CB 4.07Å; I474-I516 HydrophobicContact CB-CG2 4.42Å; I474-I516 HydrophobicContact CG2-CB 3.97Å; I474-I516 HydrophobicContact CG2-CD1 4.1Å; I474-I516 HydrophobicContact CG2-CG2 4.26Å; I474-I516 PolarHBondContact O-N 3.04Å; I474-Y517 HydrophobicContact CD1-CG 4.24Å; I474-Y517 HydrophobicContact CG1-CD1 4.36Å; I474-Y517 HydrophobicContact CG1-CG 4.33Å; I474-Y517 PolarHBondContact N-O 3.44Å; I474-Y517 PolarHBondContact O-N 3.12Å
475L97.6Very high92.9Very high1 Ų131.4 Ų31.41%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-112.6151.1177.9-48.5174.6000110.5Q433 V434 F467 M473 V512 C515 L535Q433-L475 CarbonylContact C-O 3.58Å; Q433-L475 WeakPolarHBondContact CA-O 3.4Å; V434-L475 HydrophobicContact CB-CB 4.23Å; V434-L475 PolarHBondContact N-O 2.82Å; V434-L475 PolarHBondContact O-N 2.54Å; F467-L475 HydrophobicContact CD2-CD1 4.28Å; F467-L475 HydrophobicContact CE1-CD1 4.44Å; F467-L475 HydrophobicContact CE1-CD2 4.11Å; F467-L475 HydrophobicContact CE2-CD1 3.44Å; F467-L475 VanDerWaalsContact CE2-CD1 3.44Å; F467-L475 HydrophobicContact CZ-CD1 3.54Å; F467-L475 HydrophobicContact CZ-CD2 3.83Å; F467-L475 HydrophobicContact CZ-CG 4.35Å; M473-L475 HydrophobicContact CG-CG 4.48Å; M473-L475 HydrophobicContact SD-CD1 3.89Å; M473-L475 HydrophobicContact SD-CD2 4.37Å; M473-L475 HydrophobicContact SD-CG 4.1Å; L475-V512 HydrophobicContact CB-CG1 4.42Å; L475-C515 HydrophobicContact CD2-CB 4.37Å; L475-L535 HydrophobicContact CD2-CD2 4.35Å
476D97.6Very high92.4Very high1 Ų130 Ų301%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-115124.9172-146.3-20.1000108.6R431 F513 D514 I516 Y584R431-D476 IonicContact CZ-OD1 3.72Å; R431-D476 IonicContact CZ-OD2 2.81Å; R431-D476 IonicContact NE-OD1 2.65Å; R431-D476 PolarHBondContact NE-OD1 2.89Å; R431-D476 IonicContact NE-OD2 2.7Å; R431-D476 IonicContact NH2-OD1 3.92Å; R431-D476 PolarHBondContact NH2-OD1 2.84Å; R431-D476 IonicContact NH2-OD2 2.73Å; R431-D476 PolarHBondContact NH2-OD2 2.93Å; D476-F513 HydrophobicContact CB-CD2 4.21Å; D476-F513 HydrophobicContact CB-CE2 3.63Å; D476-F513 HydrophobicContact CB-CZ 4.15Å; D476-F513 VanDerWaalsContact CG-CE2 3.46Å; D476-F513 PolarHBondContact O-N 3.34Å; D476-F513 WeakPolarHBondContact OD1-CZ 3.49Å; D476-D514 HydrophobicContact CB-CB 3.81Å; D476-D514 PolarHBondContact N-O 2.88Å; D476-D514 PolarHBondContact O-N 3.18Å; D476-I516 HydrophobicContact CB-CD1 4.12Å; D476-Y584 WeakPolarHBondContact OD2-CE2 3.48Å; D476-Y584 PolarHBondContact OD2-OH 3.4Å
477A97.2Very high91.6Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-151.6160.3-168.700000112.1R431 V432 L510 F511 V512 F513R431-A477 CarbonylContact C-O 3.53Å; R431-A477 WeakPolarHBondContact CA-O 3.42Å; R431-A477 WeakPolarHBondContact CG-O 3.24Å; V432-A477 CarbonylContact C-O 3.58Å; V432-A477 PolarHBondContact N-O 2.89Å; V432-A477 PolarHBondContact O-N 2.91Å; V432-A477 VanDerWaalsContact O-O 3.09Å; A477-L510 HydrophobicContact CB-CD1 3.6Å; A477-L510 HydrophobicContact CB-CD2 4.2Å; A477-L510 HydrophobicContact CB-CG 3.7Å; A477-F511 CarbonylContact C-O 3.57Å; A477-F511 WeakPolarHBondContact CA-O 3.36Å; A477-F511 VanDerWaalsContact CB-O 3.28Å; A477-F511 WeakPolarHBondContact CB-O 3.44Å; A477-V512 HydrophobicContact CB-CG2 4.35Å; A477-F513 VanDerWaalsContact CA-CE1 3.46Å
478E95.9Very high91Very high28 Ų2839.7 Ų39.713%0.13122%0.22CC..EExtended strand (participates in β ladder)trans-107.7129.9168.3-148.379.8-167.900108.6E430 R431 L480 F511 F513E430-E478 VanDerWaalsContact C-OE1 3.31Å; R431-E478 VanDerWaalsContact CA-CD 3.45Å; R431-E478 WeakPolarHBondContact CA-OE1 3.4Å; R431-E478 WeakPolarHBondContact CA-OE2 3.06Å; R431-E478 WeakPolarHBondContact CB-OE2 3.44Å; R431-E478 PolarHBondContact N-OE1 2.88Å; E478-L480 HydrophobicContact CB-CD1 3.86Å; E478-L480 HydrophobicContact CG-CD1 3.92Å; E478-F511 PolarHBondContact N-O 2.83Å; E478-F511 PolarHBondContact O-N 3.45Å; E478-F513 HydrophobicContact CB-CE1 4.22Å
479V94.5Very high90.7Very high0 Ų038.1 Ų38.10%021%0.21CC..EExtended strand (participates in β ladder)trans-91.1134.117280.90000109.8G429 E430 V432 F459 L495 V508 C509 L510G429-V479 WeakPolarHBondContact CA-O 3.47Å; E430-V479 HydrophobicContact CB-CG1 3.94Å; E430-V479 PolarHBondContact N-O 2.81Å; E430-V479 WeakPolarHBondContact O-CG1 3.14Å; E430-V479 PolarHBondContact O-N 2.85Å; V432-V479 HydrophobicContact CG2-CB 3.86Å; V432-V479 HydrophobicContact CG2-CG1 3.66Å; F459-V479 HydrophobicContact CE2-CG2 3.69Å; F459-V479 HydrophobicContact CZ-CG2 3.8Å; V479-L495 HydrophobicContact CG1-CD1 4.07Å; V479-L495 WeakPolarHBondContact O-CD1 3.3Å; V479-V508 HydrophobicContact CG2-CG1 3.41Å; V479-V508 VanDerWaalsContact CG2-CG1 3.41Å; V479-C509 WeakPolarHBondContact CG2-O 3.26Å; V479-L510 HydrophobicContact CB-CD1 4.41Å
480L91.2Very high90.4Very high7 Ų737.7 Ų37.74%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-136.5165.8179.1-75.894.7000110.8Y427 E478 P489 V508 C509 F511Y427-L480 HydrophobicContact CD1-CD1 4.23Å; Y427-L480 HydrophobicContact CD1-CD2 4.26Å; Y427-L480 HydrophobicContact CG-CD1 4.09Å; E478-L480 HydrophobicContact CB-CD1 3.86Å; E478-L480 HydrophobicContact CG-CD1 3.92Å; L480-P489 HydrophobicContact CD2-CB 3.83Å; L480-V508 WeakPolarHBondContact O-CA 3.12Å; L480-V508 WeakPolarHBondContact O-CG1 3.27Å; L480-C509 PolarHBondContact N-O 2.91Å; L480-C509 PolarHBondContact O-N 3.29Å; L480-F511 HydrophobicContact CB-CD2 4.34Å; L480-F511 HydrophobicContact CB-CE2 4.16Å; L480-F511 HydrophobicContact CD1-CD2 3.67Å; L480-F511 HydrophobicContact CD1-CE2 4.15Å
481L89.6Confident89.7Confident1 Ų142 Ų421%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-98.5129.7166.2-162.272.9000107.7L490 L495 K500 F503 A506 V508L481-L490 HydrophobicContact CB-CB 4.48Å; L481-L490 HydrophobicContact CB-CD1 4.4Å; L481-L490 HydrophobicContact CD2-CD1 3.8Å; L481-L490 HydrophobicContact CG-CD1 4.01Å; L481-L490 WeakPolarHBondContact O-CB 3.32Å; L481-L490 PolarHBondContact O-N 2.58Å; L481-L495 HydrophobicContact CB-CD2 4.21Å; L481-K500 HydrophobicContact CD1-CG 4.07Å; L481-F503 HydrophobicContact CD2-CD2 4.03Å; L481-A506 HydrophobicContact CD1-CB 4.25Å; L481-A506 HydrophobicContact CD2-CB 3.89Å; L481-A506 HydrophobicContact CG-CB 3.9Å; L481-V508 HydrophobicContact CD1-CG2 3.92Å
482I88.9Confident88.6Confident0 Ų040.7 Ų40.70%022%0.217CC..EExtended strand (participates in β ladder)trans-115.7136.5178.6-67.2-177000108.9T484 K488 A506 N507 C509 F511 L547I482-T484 PolarHBondContact O-N 2.74Å; I482-K488 WeakPolarHBondContact CA-O 3.4Å; I482-A506 CarbonylContact O-C 3.57Å; I482-A506 VanDerWaalsContact O-CA 3.3Å; I482-A506 WeakPolarHBondContact O-CA 3.36Å; I482-N507 PolarHBondContact N-O 2.88Å; I482-N507 PolarHBondContact O-N 2.93Å; I482-C509 HydrophobicContact CB-CB 4.4Å; I482-C509 HydrophobicContact CD1-CB 3.36Å; I482-C509 VanDerWaalsContact CD1-SG 3.52Å; I482-C509 HydrophobicContact CG1-CB 3.79Å; I482-F511 HydrophobicContact CD1-CE2 3.7Å; I482-F511 HydrophobicContact CD1-CZ 3.54Å; I482-F511 HydrophobicContact CG1-CE2 4.2Å; I482-F511 HydrophobicContact CG1-CZ 4.36Å; I482-L547 HydrophobicContact CD1-CD1 4.17Å
483D88.1Confident87.5Confident34 Ų3441.1 Ų41.118%0.18222%0.224CC..EExtended strand (participates in β ladder)trans-71.8119.8165162.323.6000109.8K485 T486 S487 K488 L490D483-K485 VanDerWaalsContact C-N 3.26Å; D483-K485 PolarHBondContact O-N 3.29Å; D483-K485 WeakPolarHBondContact OD1-CB 3.48Å; D483-K485 PolarHBondContact OD1-N 2.83Å; D483-T486 VanDerWaalsContact OD2-CB 3.3Å; D483-T486 WeakPolarHBondContact OD2-CB 3.13Å; D483-T486 WeakPolarHBondContact OD2-CG2 3.44Å; D483-T486 PolarHBondContact OD2-N 3.2Å; D483-T486 PolarHBondContact OD2-OG1 3.49Å; D483-S487 WeakPolarHBondContact O-CA 3.38Å; D483-S487 PolarHBondContact O-N 3.32Å; D483-K488 PolarHBondContact N-O 3.17Å; D483-L490 HydrophobicContact CB-CD2 4.26Å; D483-L490 HydrophobicContact CB-CG 4.47Å
484T86Confident86.5Confident46 Ų4641.8 Ų41.828%0.28223%0.228SC..THydrogen-bonded Turntrans-68.7-20.1-177.457.50000114.3I482 D505 N507I482-T484 PolarHBondContact O-N 2.74Å; T484-D505 PolarHBondContact N-O 2.99Å; T484-D505 PolarHBondContact OG1-O 3.31Å; T484-N507 HydrophobicContact CG2-CB 3.87Å; T484-N507 VanDerWaalsContact CG2-ND2 3.26Å; T484-N507 WeakPolarHBondContact CG2-ND2 3.11Å
485K86.8Confident85.5Confident149 Ų14942.1 Ų42.165%0.64823%0.23SC*.THydrogen-bonded Turntrans-82.3-40179.5-71.6171.2170.7161.30111.9D483 D505D483-K485 VanDerWaalsContact C-N 3.26Å; D483-K485 PolarHBondContact O-N 3.29Å; D483-K485 WeakPolarHBondContact OD1-CB 3.48Å; D483-K485 PolarHBondContact OD1-N 2.83Å; K485-D505 HydrophobicContact CD-CB 4.11Å; K485-D505 WeakPolarHBondContact CE-OD1 3.36Å; K485-D505 WeakPolarHBondContact CE-OD2 3.33Å; K485-D505 HydrophobicContact CG-CB 4.37Å; K485-D505 IonicContact NZ-OD1 3.3Å; K485-D505 PolarHBondContact NZ-OD1 2.88Å; K485-D505 IonicContact NZ-OD2 2.8Å; K485-D505 PolarHBondContact NZ-OD2 3.31Å
486T84.4Confident84.3Confident80 Ų8043.5 Ų43.549%0.49124%0.244SC..THydrogen-bonded Turntrans-99.6-11.4178.264.30000114.3D483 K488D483-T486 VanDerWaalsContact OD2-CB 3.3Å; D483-T486 WeakPolarHBondContact OD2-CB 3.13Å; D483-T486 WeakPolarHBondContact OD2-CG2 3.44Å; D483-T486 PolarHBondContact OD2-N 3.2Å; D483-T486 PolarHBondContact OD2-OG1 3.49Å; T486-K488 PolarHBondContact O-N 2.86Å; T486-K488 PolarHBondContact OG1-N 2.59Å
487S80.8Confident82.9Confident66 Ų6647 Ų4746%0.46227%0.266SS..  trans54.720.3-169.4-53.30000114.4D483 N544D483-S487 WeakPolarHBondContact O-CA 3.38Å; D483-S487 PolarHBondContact O-N 3.32Å; S487-N544 PolarHBondContact OG-ND2 2.66Å; S487-N544 PolarHBondContact OG-OD1 2.75Å
488K82.6Confident81.3Confident143 Ų14355 Ų5562%0.62230%0.303SS*.PPolyproline II helixtrans-91.8144.4179.1-67.8-173.6176.4-173.50112.3I482 D483 T486I482-K488 WeakPolarHBondContact CA-O 3.4Å; D483-K488 PolarHBondContact N-O 3.17Å; T486-K488 PolarHBondContact O-N 2.86Å; T486-K488 PolarHBondContact OG1-N 2.59Å
489P83.8Confident79.9Confident52 Ų5259.6 Ų59.634%0.33832%0.322SS..BIsolated β-bridgetrans-67.5139.3172.929.5-34.5000111L480L480-P489 HydrophobicContact CD2-CB 3.83Å
490L82.6Confident78.6Confident36 Ų3662 Ų6219%0.18833%0.332CS..PPolyproline II helixtrans-89.2154.5175.7-64.5171.7000111L481 D483 T494 F503 A506L481-L490 HydrophobicContact CB-CB 4.48Å; L481-L490 HydrophobicContact CB-CD1 4.4Å; L481-L490 HydrophobicContact CD2-CD1 3.8Å; L481-L490 HydrophobicContact CG-CD1 4.01Å; L481-L490 WeakPolarHBondContact O-CB 3.32Å; L481-L490 PolarHBondContact O-N 2.58Å; D483-L490 HydrophobicContact CB-CD2 4.26Å; D483-L490 HydrophobicContact CB-CG 4.47Å; L490-T494 HydrophobicContact CB-CG2 4.24Å; L490-F503 HydrophobicContact CD1-CD1 4.41Å; L490-F503 HydrophobicContact CD1-CD2 4.45Å; L490-F503 HydrophobicContact CD1-CG 4.3Å; L490-A506 HydrophobicContact CD1-CB 3.88Å
491P74.6Confident77.6Confident96 Ų9665.5 Ų65.562%0.62336%0.363SS*.PPolyproline II helixtrans-59.2160.8-175.4-26.635.7000115.2T494P491-T494 WeakPolarHBondContact O-CB 3.33Å; P491-T494 WeakPolarHBondContact O-CG2 3.38Å; P491-T494 PolarHBondContact O-N 3.44Å; P491-T494 PolarHBondContact O-OG1 2.79Å
492F70Confident76.9Confident99 Ų9969.1 Ų69.143%0.43439%0.393SS..THydrogen-bonded Turntrans-55.9147.3-179.4179.2-98.6000113.7D428 T494D428-F492 HydrophobicContact CB-CB 4.17Å; D428-F492 VanDerWaalsContact CG-CB 3.46Å; D428-F492 WeakPolarHBondContact O-CB 3.42Å; D428-F492 WeakPolarHBondContact O-CD2 3.24Å; D428-F492 VanDerWaalsContact OD2-CB 3.27Å; D428-F492 WeakPolarHBondContact OD2-CB 3.38Å; F492-T494 PolarHBondContact O-N 2.65Å
493G70.8Confident76.3Confident25 Ų2573.2 Ų73.226%0.25841%0.411SS..THydrogen-bonded Turntrans77.9-4.2-179.600000115L495 G496 K499G493-L495 PolarHBondContact O-N 2.83Å; G493-G496 PolarHBondContact O-N 2.96Å; G493-K499 VanDerWaalsContact O-CD 3.24Å; G493-K499 WeakPolarHBondContact O-CD 3.5Å
494T76.9Confident75.6Confident14 Ų1480.6 Ų80.69%0.08644%0.444CS..THydrogen-bonded Turntrans-63.2-24.8168.751.40000112.9L490 P491 F492 G496 K499 K500 F503L490-T494 HydrophobicContact CB-CG2 4.24Å; P491-T494 WeakPolarHBondContact O-CB 3.33Å; P491-T494 WeakPolarHBondContact O-CG2 3.38Å; P491-T494 PolarHBondContact O-N 3.44Å; P491-T494 PolarHBondContact O-OG1 2.79Å; F492-T494 PolarHBondContact O-N 2.65Å; T494-G496 PolarHBondContact O-N 3.39Å; T494-G496 VanDerWaalsContact O-N 3.09Å; T494-K499 WeakPolarHBondContact O-CB 3.36Å; T494-K500 PolarHBondContact O-N 3.2Å; T494-F503 HydrophobicContact CG2-CE2 3.82Å; T494-F503 HydrophobicContact CG2-CZ 4.18Å
495L75Confident75.5Confident7 Ų781.5 Ų81.54%0.03745%0.447CS..THydrogen-bonded Turntrans-62.9-6.1174.8-72.8169.6000115.8E430 K455 V479 L481 G493 V508E430-L495 HydrophobicContact CB-CD1 4.24Å; E430-L495 HydrophobicContact CG-CD1 4.17Å; K455-L495 HydrophobicContact CD-CB 4.4Å; K455-L495 WeakPolarHBondContact CE-O 3.35Å; V479-L495 HydrophobicContact CG1-CD1 4.07Å; V479-L495 WeakPolarHBondContact O-CD1 3.3Å; L481-L495 HydrophobicContact CB-CD2 4.21Å; G493-L495 PolarHBondContact O-N 2.83Å; L495-V508 HydrophobicContact CD2-CG1 4Å
496G72.3Confident75.4Confident29 Ų2975 Ų7530%0.29942%0.421SS..SBendtrans-71.3140.8173.500000111.9G493 T494 H498 K499 K500G493-G496 PolarHBondContact O-N 2.96Å; T494-G496 PolarHBondContact O-N 3.39Å; T494-G496 VanDerWaalsContact O-N 3.09Å; G496-H498 PolarHBondContact O-N 3.31Å; G496-K499 CarbonylContact O-C 3.57Å; G496-K499 WeakPolarHBondContact O-CA 3.37Å; G496-K499 PolarHBondContact O-N 3.33Å; G496-K500 PolarHBondContact O-N 3.27Å
497V69.7Low75.5Confident75 Ų7573.6 Ų73.646%0.45541%0.41SS..Hα-helixtrans-43.2-56-173.5-176.40000113.4H454 K499 K500 A501H454-V497 WeakPolarHBondContact CE1-CG2 3.46Å; H454-V497 WeakPolarHBondContact NE2-CG2 3.23Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.28Å; V497-K500 PolarHBondContact O-N 2.92Å; V497-A501 PolarHBondContact O-N 3.23Å; V497-A501 VanDerWaalsContact O-N 3.13Å
498H62Low76Confident169 Ų16970.6 Ų70.678%0.78239%0.39SS*.Hα-helixtrans-68.2-25.8-177.9-54.7-78.6000113.4G496G496-H498 PolarHBondContact O-N 3.31Å
499K67.9Low76.5Confident123 Ų12363.8 Ų63.854%0.53536%0.36SS..Hα-helixtrans-80.8-41.2176.2-74.4-177.9169-172.50111.5G493 T494 G496 V497 A501 A502 F503G493-K499 VanDerWaalsContact O-CD 3.24Å; G493-K499 WeakPolarHBondContact O-CD 3.5Å; T494-K499 WeakPolarHBondContact O-CB 3.36Å; G496-K499 CarbonylContact O-C 3.57Å; G496-K499 WeakPolarHBondContact O-CA 3.37Å; G496-K499 PolarHBondContact O-N 3.33Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.28Å; K499-A501 VanDerWaalsContact C-N 3.25Å; K499-A501 PolarHBondContact O-N 3.47Å; K499-A502 WeakPolarHBondContact O-CB 3.5Å; K499-A502 PolarHBondContact O-N 2.94Å; K499-F503 WeakPolarHBondContact O-CD2 3.45Å
500K66.6Low77Confident50 Ų5061.3 Ų61.322%0.21734%0.344CS..Hα-helixtrans-54.8-43.6170.1-177.6-175.5176.9-171.90110.9H454 L481 T494 G496 V497 A502 F503 V508H454-K500 PolarHBondContact O-NZ 3.38Å; L481-K500 HydrophobicContact CD1-CG 4.07Å; T494-K500 PolarHBondContact O-N 3.2Å; G496-K500 PolarHBondContact O-N 3.27Å; V497-K500 PolarHBondContact O-N 2.92Å; K500-A502 PolarHBondContact O-N 2.99Å; K500-F503 PolarHBondContact O-N 3.34Å; K500-V508 HydrophobicContact CD-CG2 4.1Å
501A70.6Confident77.7Confident82 Ų8260.3 Ų60.368%0.67834%0.338SS*.THydrogen-bonded Turntrans-64.8-18.4178.600000114.7V497 K499V497-A501 PolarHBondContact O-N 3.23Å; V497-A501 VanDerWaalsContact O-N 3.13Å; K499-A501 VanDerWaalsContact C-N 3.25Å; K499-A501 PolarHBondContact O-N 3.47Å
502A74.3Confident78.8Confident76 Ų7655.8 Ų55.863%0.62831%0.308SS*.THydrogen-bonded Turntrans-83-12.9177.100000113.6K499 K500K499-A502 WeakPolarHBondContact O-CB 3.5Å; K499-A502 PolarHBondContact O-N 2.94Å; K500-A502 PolarHBondContact O-N 2.99Å
503F76.3Confident80.1Confident87 Ų8751.8 Ų51.838%0.38229%0.291SS..  trans-112.498.4178.7-58.6-78.3000110.1L481 L490 T494 K499 K500 D505 A506L481-F503 HydrophobicContact CD2-CD2 4.03Å; L490-F503 HydrophobicContact CD1-CD1 4.41Å; L490-F503 HydrophobicContact CD1-CD2 4.45Å; L490-F503 HydrophobicContact CD1-CG 4.3Å; T494-F503 HydrophobicContact CG2-CE2 3.82Å; T494-F503 HydrophobicContact CG2-CZ 4.18Å; K499-F503 WeakPolarHBondContact O-CD2 3.45Å; K500-F503 PolarHBondContact O-N 3.34Å; F503-D505 VanDerWaalsContact C-N 3.34Å; F503-D505 PolarHBondContact O-N 3.43Å; F503-A506 HydrophobicContact CB-CB 3.4Å; F503-A506 VanDerWaalsContact CB-CB 3.4Å; F503-A506 HydrophobicContact CG-CB 4.34Å; F503-A506 PolarHBondContact O-N 3.17Å
504Q74.3Confident81.3Confident188 Ų18850.6 Ų50.688%0.87928%0.279SS*.THydrogen-bonded Turntrans-63.8-39.5-179.3-64.7-178.2-4.800112.1A506Q504-A506 VanDerWaalsContact C-N 3.28Å; Q504-A506 PolarHBondContact O-N 2.67Å
505D82.9Confident82.3Confident66 Ų6649.9 Ų49.935%0.35327%0.274SS..THydrogen-bonded Turntrans-87.225.7-179.6-56.8-70.8000113.6T484 K485 F503T484-D505 PolarHBondContact N-O 2.99Å; T484-D505 PolarHBondContact OG1-O 3.31Å; K485-D505 HydrophobicContact CD-CB 4.11Å; K485-D505 WeakPolarHBondContact CE-OD1 3.36Å; K485-D505 WeakPolarHBondContact CE-OD2 3.33Å; K485-D505 HydrophobicContact CG-CB 4.37Å; K485-D505 IonicContact NZ-OD1 3.3Å; K485-D505 PolarHBondContact NZ-OD1 2.88Å; K485-D505 IonicContact NZ-OD2 2.8Å; K485-D505 PolarHBondContact NZ-OD2 3.31Å; F503-D505 VanDerWaalsContact C-N 3.34Å; F503-D505 PolarHBondContact O-N 3.43Å
506A85.2Confident83.3Confident11 Ų1149.6 Ų49.69%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-121.1128.5-172.700000114.2L481 I482 L490 F503 Q504L481-A506 HydrophobicContact CD1-CB 4.25Å; L481-A506 HydrophobicContact CD2-CB 3.89Å; L481-A506 HydrophobicContact CG-CB 3.9Å; I482-A506 CarbonylContact O-C 3.57Å; I482-A506 VanDerWaalsContact O-CA 3.3Å; I482-A506 WeakPolarHBondContact O-CA 3.36Å; L490-A506 HydrophobicContact CD1-CB 3.88Å; F503-A506 HydrophobicContact CB-CB 3.4Å; F503-A506 VanDerWaalsContact CB-CB 3.4Å; F503-A506 HydrophobicContact CG-CB 4.34Å; F503-A506 PolarHBondContact O-N 3.17Å; Q504-A506 VanDerWaalsContact C-N 3.28Å; Q504-A506 PolarHBondContact O-N 2.67Å
507N86.3Confident84.4Confident51 Ų5149.9 Ų49.927%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-115.6146.9-179.7-93.7-52.4000112I482 T484 R545I482-N507 PolarHBondContact N-O 2.88Å; I482-N507 PolarHBondContact O-N 2.93Å; T484-N507 HydrophobicContact CG2-CB 3.87Å; T484-N507 VanDerWaalsContact CG2-ND2 3.26Å; T484-N507 WeakPolarHBondContact CG2-ND2 3.11Å; N507-R545 PolarHBondContact OD1-NH1 2.75Å; N507-R545 PolarHBondContact OD1-NH2 3.36Å
508V90.7Very high85.6Confident4 Ų447 Ų472%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-79.4128.6172.9-160.90000108.4K455 F459 V479 L480 L481 L495 K500K455-V508 WeakPolarHBondContact O-CG1 3.37Å; F459-V508 HydrophobicContact CE2-CG1 4.44Å; F459-V508 HydrophobicContact CZ-CB 4.38Å; F459-V508 HydrophobicContact CZ-CG1 4.01Å; V479-V508 HydrophobicContact CG2-CG1 3.41Å; V479-V508 VanDerWaalsContact CG2-CG1 3.41Å; L480-V508 WeakPolarHBondContact O-CA 3.12Å; L480-V508 WeakPolarHBondContact O-CG1 3.27Å; L481-V508 HydrophobicContact CD1-CG2 3.92Å; L495-V508 HydrophobicContact CD2-CG1 4Å; K500-V508 HydrophobicContact CD-CG2 4.1Å
509C93.3Very high87.1Confident0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-128.3148.4-177.1-172.90000110.7V479 L480 I482 R545V479-C509 WeakPolarHBondContact CG2-O 3.26Å; L480-C509 PolarHBondContact N-O 2.91Å; L480-C509 PolarHBondContact O-N 3.29Å; I482-C509 HydrophobicContact CB-CB 4.4Å; I482-C509 HydrophobicContact CD1-CB 3.36Å; I482-C509 VanDerWaalsContact CD1-SG 3.52Å; I482-C509 HydrophobicContact CG1-CB 3.79Å; C509-R545 CarbonylContact C-O 3.53Å; C509-R545 WeakPolarHBondContact CA-O 3.36Å; C509-R545 PolarHBondContact SG-O 2.95Å; C509-R545 VanDerWaalsContact SG-O 3.42Å
510L95.7Very high88.2Confident0 Ų038.6 Ų38.60%022%0.224CC..EExtended strand (participates in β ladder)trans-109.3119.1179.5-169.176.4000109.3V434 F459 A477 V479 V512 R545 I546 L547V434-L510 HydrophobicContact CG2-CD1 4.29Å; V434-L510 HydrophobicContact CG2-CD2 3.97Å; F459-L510 HydrophobicContact CD1-CB 4.37Å; F459-L510 HydrophobicContact CE1-CB 3.9Å; F459-L510 HydrophobicContact CE2-CB 4.33Å; F459-L510 HydrophobicContact CE2-CD1 4.33Å; F459-L510 HydrophobicContact CZ-CB 3.88Å; A477-L510 HydrophobicContact CB-CD1 3.6Å; A477-L510 HydrophobicContact CB-CD2 4.2Å; A477-L510 HydrophobicContact CB-CG 3.7Å; V479-L510 HydrophobicContact CB-CD1 4.41Å; L510-V512 HydrophobicContact CD2-CG2 3.91Å; L510-V512 HydrophobicContact CG-CG2 4.23Å; L510-R545 PolarHBondContact N-O 2.9Å; L510-I546 HydrophobicContact CB-CG1 4.42Å; L510-I546 WeakPolarHBondContact O-CA 3.5Å; L510-L547 PolarHBondContact O-N 2.99Å
511F96.2Very high89.3Confident15 Ų1538.7 Ų38.77%0.06623%0.229CC..EExtended strand (participates in β ladder)trans-95.5102172.1-71.9-87.7000109.2Y427 A477 E478 L480 I482 L547Y427-F511 HydrophobicContact CD1-CD1 4.46Å; Y427-F511 HydrophobicContact CD1-CD2 4.16Å; Y427-F511 HydrophobicContact CD1-CE2 4.25Å; Y427-F511 HydrophobicContact CD1-CG 4.25Å; Y427-F511 HydrophobicContact CD1-CZ 4.45Å; Y427-F511 HydrophobicContact CD2-CB 4.4Å; Y427-F511 AromaticContact CE1-CD1 3.66Å; Y427-F511 HydrophobicContact CE1-CD1 3.66Å; Y427-F511 HydrophobicContact CE1-CD2 4.13Å; Y427-F511 AromaticContact CE1-CE1 3.67Å; Y427-F511 HydrophobicContact CE1-CE1 3.67Å; Y427-F511 HydrophobicContact CE1-CE2 4.12Å; Y427-F511 AromaticContact CE1-CG 3.88Å; Y427-F511 HydrophobicContact CE1-CG 3.88Å; Y427-F511 AromaticContact CE1-CZ 3.89Å; Y427-F511 HydrophobicContact CE1-CZ 3.89Å; Y427-F511 HydrophobicContact CE2-CB 4.18Å; Y427-F511 HydrophobicContact CE2-CD1 4.27Å; Y427-F511 HydrophobicContact CE2-CG 4.28Å; Y427-F511 AromaticContact CZ-CD1 3.55Å; Y427-F511 AromaticContact CZ-CE1 3.94Å; Y427-F511 AromaticContact CZ-CG 3.91Å; Y427-F511 WeakPolarHBondContact OH-CD1 3.13Å; A477-F511 CarbonylContact C-O 3.57Å; A477-F511 WeakPolarHBondContact CA-O 3.36Å; A477-F511 VanDerWaalsContact CB-O 3.28Å; A477-F511 WeakPolarHBondContact CB-O 3.44Å; E478-F511 PolarHBondContact N-O 2.83Å; E478-F511 PolarHBondContact O-N 3.45Å; L480-F511 HydrophobicContact CB-CD2 4.34Å; L480-F511 HydrophobicContact CB-CE2 4.16Å; L480-F511 HydrophobicContact CD1-CD2 3.67Å; L480-F511 HydrophobicContact CD1-CE2 4.15Å; I482-F511 HydrophobicContact CD1-CE2 3.7Å; I482-F511 HydrophobicContact CD1-CZ 3.54Å; I482-F511 HydrophobicContact CG1-CE2 4.2Å; I482-F511 HydrophobicContact CG1-CZ 4.36Å; F511-L547 CarbonylContact C-O 3.45Å; F511-L547 WeakPolarHBondContact CA-O 3.43Å; F511-L547 HydrophobicContact CD1-CB 4.08Å; F511-L547 HydrophobicContact CE1-CB 4.12Å; F511-L547 HydrophobicContact CE1-CD1 3.89Å; F511-L547 HydrophobicContact CZ-CD1 4.17Å
512V97.7Very high90.4Very high0 Ų037 Ų370%021%0.213CC..EExtended strand (participates in β ladder)trans-80.5120.4-178.4-176.30000109.5L475 A477 L510 L535 M539 I546 L547 F548 S549L475-V512 HydrophobicContact CB-CG1 4.42Å; A477-V512 HydrophobicContact CB-CG2 4.35Å; L510-V512 HydrophobicContact CD2-CG2 3.91Å; L510-V512 HydrophobicContact CG-CG2 4.23Å; V512-L535 HydrophobicContact CG1-CD1 4.11Å; V512-L535 HydrophobicContact CG1-CD2 3.83Å; V512-M539 HydrophobicContact CB-CE 4.39Å; V512-M539 HydrophobicContact CB-SD 3.98Å; V512-M539 HydrophobicContact CG1-SD 4.24Å; V512-M539 HydrophobicContact CG2-CE 4.43Å; V512-M539 HydrophobicContact CG2-SD 4.02Å; V512-I546 HydrophobicContact CG2-CG2 3.91Å; V512-L547 PolarHBondContact N-O 3.4Å; V512-F548 CarbonylContact O-C 3.41Å; V512-S549 PolarHBondContact O-N 2.6Å
513F96.9Very high91.4Very high15 Ų1533.6 Ų33.67%0.06618%0.184CC..EExtended strand (participates in β ladder)trans-122.2-7.3-176.262.5-113.9000114.4E424 R431 D476 A477 E478 S549 K578 W591E424-F513 WeakPolarHBondContact OE2-CB 3.31Å; R431-F513 HydrophobicContact CG-CZ 4.09Å; D476-F513 HydrophobicContact CB-CD2 4.21Å; D476-F513 HydrophobicContact CB-CE2 3.63Å; D476-F513 HydrophobicContact CB-CZ 4.15Å; D476-F513 VanDerWaalsContact CG-CE2 3.46Å; D476-F513 PolarHBondContact O-N 3.34Å; D476-F513 WeakPolarHBondContact OD1-CZ 3.49Å; A477-F513 VanDerWaalsContact CA-CE1 3.46Å; E478-F513 HydrophobicContact CB-CE1 4.22Å; F513-S549 WeakPolarHBondContact CA-OG 3.29Å; F513-S549 VanDerWaalsContact CB-OG 3.3Å; F513-S549 WeakPolarHBondContact CB-OG 3.26Å; F513-K578 PolarHBondContact O-NZ 3.41Å; F513-W591 HydrophobicContact CD2-CH2 4.2Å; F513-W591 HydrophobicContact CD2-CZ3 4.45Å; F513-W591 AromaticContact CE2-CH2 3.89Å; F513-W591 HydrophobicContact CE2-CH2 3.89Å; F513-W591 AromaticContact CE2-CZ3 3.95Å; F513-W591 HydrophobicContact CE2-CZ3 3.95Å
514D97.4Very high92.2Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans-157155.5171.6-140.1-21.9000114.6D476 R531 Y584D476-D514 HydrophobicContact CB-CB 3.81Å; D476-D514 PolarHBondContact N-O 2.88Å; D476-D514 PolarHBondContact O-N 3.18Å; D514-R531 IonicContact OD1-CZ 2.66Å; D514-R531 VanDerWaalsContact OD1-CZ 3.24Å; D514-R531 IonicContact OD1-NH1 2.74Å; D514-R531 PolarHBondContact OD1-NH1 2.99Å; D514-R531 IonicContact OD1-NH2 3.21Å; D514-R531 PolarHBondContact OD1-NH2 2.93Å; D514-R531 IonicContact OD2-CZ 3.36Å; D514-R531 IonicContact OD2-NH1 2.71Å; D514-R531 PolarHBondContact OD2-NH1 2.95Å; D514-R531 IonicContact OD2-NH2 2.64Å; D514-R531 PolarHBondContact OD2-NH2 2.83Å; D514-Y584 WeakPolarHBondContact OD2-CD2 2.98Å
515C96.8Very high93Very high0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-119.9126.6170.6-1660000110.4L475 L523 R531 L535L475-C515 HydrophobicContact CD2-CB 4.37Å; C515-L523 HydrophobicContact CB-CD1 4.09Å; C515-R531 PolarHBondContact O-NH1 3.35Å; C515-L535 HydrophobicContact CB-CD1 4.41Å; C515-L535 HydrophobicContact CB-CD2 3.87Å; C515-L535 HydrophobicContact CB-CG 3.84Å
516I95.9Very high93.6Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-104.3-33-172.7-61.6175.6000110.6V399 I474 D476 L523 M524 Y584V399-I516 HydrophobicContact CG1-CG2 4.46Å; V399-I516 HydrophobicContact CG2-CG2 4.28Å; I474-I516 HydrophobicContact CB-CB 4.07Å; I474-I516 HydrophobicContact CB-CG2 4.42Å; I474-I516 HydrophobicContact CG2-CB 3.97Å; I474-I516 HydrophobicContact CG2-CD1 4.1Å; I474-I516 HydrophobicContact CG2-CG2 4.26Å; I474-I516 PolarHBondContact O-N 3.04Å; D476-I516 HydrophobicContact CB-CD1 4.12Å; I516-L523 PolarHBondContact O-N 3.03Å; I516-M524 HydrophobicContact CG2-CG 3.68Å; I516-M524 HydrophobicContact CG2-SD 4.04Å; I516-Y584 HydrophobicContact CD1-CD1 4.49Å; I516-Y584 HydrophobicContact CD1-CE1 3.83Å; I516-Y584 HydrophobicContact CD1-CE2 3.84Å; I516-Y584 VanDerWaalsContact CD1-CZ 3.45Å; I516-Y584 WeakPolarHBondContact CD1-OH 3.37Å; I516-Y584 HydrophobicContact CG1-CD1 4.42Å; I516-Y584 HydrophobicContact CG1-CD2 4.15Å; I516-Y584 HydrophobicContact CG1-CE1 4.24Å; I516-Y584 HydrophobicContact CG1-CE2 3.91Å; I516-Y584 HydrophobicContact CG1-CG 4.39Å
517Y95.8Very high94.2Very high35 Ų3529.4 Ų29.414%0.13716%0.161CC..EExtended strand (participates in β ladder)trans-157.8143.7-175.6177.3-83000110.2L395 M473 I474 G520 V521L395-Y517 HydrophobicContact CD1-CD1 4.1Å; L395-Y517 HydrophobicContact CD1-CE1 3.95Å; L395-Y517 HydrophobicContact CD2-CE1 4.37Å; M473-Y517 CarbonylContact C-O 3.57Å; M473-Y517 VanDerWaalsContact CA-O 3.23Å; M473-Y517 WeakPolarHBondContact CA-O 3.47Å; I474-Y517 HydrophobicContact CD1-CG 4.24Å; I474-Y517 HydrophobicContact CG1-CD1 4.36Å; I474-Y517 HydrophobicContact CG1-CG 4.33Å; I474-Y517 PolarHBondContact N-O 3.44Å; I474-Y517 PolarHBondContact O-N 3.12Å; Y517-G520 VanDerWaalsContact OH-CA 3.24Å; Y517-G520 WeakPolarHBondContact OH-CA 3.34Å; Y517-V521 CarbonylContact C-O 3.3Å; Y517-V521 WeakPolarHBondContact CA-O 3.34Å; Y517-V521 WeakPolarHBondContact CD2-O 3.19Å
518F95.3Very high94.7Very high15 Ų1527 Ų277%0.06615%0.148CC..EExtended strand (participates in β ladder)trans-152.6135.4177.2-163.3-90000112.4F467 S472 M473 G520 V521 L523 F534 N538F467-F518 AromaticContact CD1-CE2 3.98Å; F467-F518 HydrophobicContact CD1-CE2 3.98Å; S472-F518 CarbonylContact O-C 3.53Å; S472-F518 WeakPolarHBondContact O-CA 3.29Å; M473-F518 HydrophobicContact CB-CD2 3.99Å; M473-F518 HydrophobicContact CE-CD2 4.37Å; M473-F518 HydrophobicContact CE-CE2 3.86Å; F518-G520 VanDerWaalsContact C-N 3.33Å; F518-G520 PolarHBondContact O-N 3.46Å; F518-G520 VanDerWaalsContact O-N 3.15Å; F518-V521 PolarHBondContact N-O 2.74Å; F518-V521 PolarHBondContact O-N 3.33Å; F518-L523 HydrophobicContact CB-CD1 4.48Å; F518-F534 HydrophobicContact CB-CE1 3.71Å; F518-F534 HydrophobicContact CB-CZ 3.88Å; F518-F534 AromaticContact CD1-CE1 3.91Å; F518-F534 HydrophobicContact CD1-CE1 3.91Å; F518-F534 AromaticContact CD1-CZ 3.48Å; F518-F534 HydrophobicContact CD1-CZ 3.48Å; F518-F534 VanDerWaalsContact CD1-CZ 3.48Å; F518-F534 AromaticContact CD2-CE1 3.79Å; F518-F534 HydrophobicContact CD2-CE1 3.79Å; F518-F534 HydrophobicContact CD2-CZ 4.23Å; F518-F534 HydrophobicContact CE1-CE1 4.39Å; F518-F534 AromaticContact CE1-CZ 3.93Å; F518-F534 HydrophobicContact CE1-CZ 3.93Å; F518-F534 HydrophobicContact CE2-CE1 4.29Å; F518-F534 AromaticContact CG-CE1 3.56Å; F518-F534 HydrophobicContact CG-CE1 3.56Å; F518-F534 AromaticContact CG-CZ 3.63Å; F518-F534 HydrophobicContact CG-CZ 3.63Å; F518-F534 HydrophobicContact CZ-CZ 4.47Å; F518-N538 HydrophobicContact CZ-CB 4.49Å
519N93.9Very high95Very high67 Ų6728.8 Ų28.836%0.35816%0.16SC..THydrogen-bonded Turntrans39.751.6175.4-73.2-10.5000115G469 H471 S472G469-N519 PolarHBondContact O-ND2 3.06Å; H471-N519 PolarHBondContact N-OD1 3.21Å; S472-N519 PolarHBondContact N-OD1 3.06Å; S472-N519 PolarHBondContact O-N 3.45Å; S472-N519 PolarHBondContact O-OD1 3.09Å; S472-N519 WeakPolarHBondContact OG-CA 3.34Å
520G89.6Confident95.2Very high48 Ų4833 Ų3350%0.49518%0.18SC..THydrogen-bonded Turntrans95.7-19.9179.400000114.9S472 Y517 F518S472-G520 PolarHBondContact OG-N 2.92Å; Y517-G520 VanDerWaalsContact OH-CA 3.24Å; Y517-G520 WeakPolarHBondContact OH-CA 3.34Å; F518-G520 VanDerWaalsContact C-N 3.33Å; F518-G520 PolarHBondContact O-N 3.46Å; F518-G520 VanDerWaalsContact O-N 3.15Å
521V91.4Very high95.2Very high53 Ų5333 Ų3332%0.32118%0.18SC..EExtended strand (participates in β ladder)trans-104.6125.3-168.9-176.30000111.2F137 Y517 F518 L523F137-V521 HydrophobicContact CE1-CG1 4.46Å; F137-V521 HydrophobicContact CE1-CG2 4.25Å; Y517-V521 CarbonylContact C-O 3.3Å; Y517-V521 WeakPolarHBondContact CA-O 3.34Å; Y517-V521 WeakPolarHBondContact CD2-O 3.19Å; F518-V521 PolarHBondContact N-O 2.74Å; F518-V521 PolarHBondContact O-N 3.33Å; V521-L523 HydrophobicContact CG1-CD2 4.24Å
522S92.6Very high95.2Very high47 Ų4733.4 Ų33.433%0.32918%0.181SC..EExtended strand (participates in β ladder)trans-70.2129.2165.4-178.90000109.9
523L94.9Very high95.1Very high4 Ų438.4 Ų38.42%0.02120%0.203CC..  trans-97.3-9175.1-57.5-177.9000112.3C515 I516 F518 V521 E525 R526 R531 F534C515-L523 HydrophobicContact CB-CD1 4.09Å; I516-L523 PolarHBondContact O-N 3.03Å; F518-L523 HydrophobicContact CB-CD1 4.48Å; V521-L523 HydrophobicContact CG1-CD2 4.24Å; L523-E525 VanDerWaalsContact C-N 3.33Å; L523-E525 PolarHBondContact O-N 3.45Å; L523-E525 VanDerWaalsContact O-N 3.12Å; L523-R526 WeakPolarHBondContact O-CB 3.34Å; L523-R526 PolarHBondContact O-N 2.92Å; L523-R531 HydrophobicContact CB-CG 4.26Å; L523-R531 WeakPolarHBondContact O-CD 3.26Å; L523-F534 HydrophobicContact CD1-CD1 3.75Å; L523-F534 HydrophobicContact CD1-CE1 4.11Å; L523-F534 HydrophobicContact CD1-CG 4.14Å
524M93.1Very high95Very high2 Ų239.4 Ų39.41%0.0121%0.207CC..THydrogen-bonded Turntrans-50.9-43.8-167-67.5-170.1-59.100115.1A361 A393 V399 I516 R526 S583 Y584 P586A361-M524 HydrophobicContact CB-CE 4.13Å; A393-M524 HydrophobicContact CB-CE 3.76Å; A393-M524 HydrophobicContact CB-SD 4.04Å; V399-M524 HydrophobicContact CG1-SD 4.14Å; I516-M524 HydrophobicContact CG2-CG 3.68Å; I516-M524 HydrophobicContact CG2-SD 4.04Å; M524-R526 PolarHBondContact O-N 3.11Å; M524-S583 WeakPolarHBondContact O-CB 3.46Å; M524-Y584 HydrophobicContact CG-CD1 4.25Å; M524-Y584 PolarHBondContact O-N 3.04Å; M524-Y584 HydrophobicContact SD-CD1 4.32Å; M524-P586 HydrophobicContact SD-CG 3.75Å
525E92.4Very high94.9Very high142 Ų14239.5 Ų39.566%0.66421%0.207SC*.THydrogen-bonded Turntrans-71.4-10.2-178.8-60.8-55.8136.700114L523L523-E525 VanDerWaalsContact C-N 3.33Å; L523-E525 PolarHBondContact O-N 3.45Å; L523-E525 VanDerWaalsContact O-N 3.12Å
526R95.4Very high94.8Very high83 Ų8343 Ų4331%0.31323%0.226SC..SBendtrans-79.7145.6-178.9-62.2-179179.9-129.55.5112L523 M524 E530 R531L523-R526 WeakPolarHBondContact O-CB 3.34Å; L523-R526 PolarHBondContact O-N 2.92Å; M524-R526 PolarHBondContact O-N 3.11Å; R526-E530 HydrophobicContact CB-CB 4.3Å; R526-E530 WeakPolarHBondContact CD-OE2 3.36Å; R526-E530 IonicContact NH1-OE2 2.71Å; R526-E530 PolarHBondContact NH1-OE2 2.89Å; R526-R531 HydrophobicContact CB-CG 3.76Å; R526-R531 WeakPolarHBondContact O-CD 3.34Å; R526-R531 PolarHBondContact O-NE 3.05Å
527P97Very high94.8Very high36 Ų3647.5 Ų47.523%0.23425%0.25CS..  trans-50.4143169.3-30.337.7000113.4C529 E530 R531P527-C529 VanDerWaalsContact CB-SG 3.59Å; P527-C529 PolarHBondContact O-N 2.8Å; P527-E530 WeakPolarHBondContact CD-OE1 3.34Å; P527-E530 WeakPolarHBondContact O-CB 3.29Å; P527-E530 PolarHBondContact O-N 3.07Å; P527-R531 WeakPolarHBondContact O-CG 3.45Å; P527-R531 PolarHBondContact O-N 2.68Å; P527-R531 VanDerWaalsContact O-N 3.08Å
528L97Very high94.8Very high2 Ų248.5 Ų48.51%0.0126%0.258CS..Hα-helixtrans-55-35.1176.4176.160.7000113Y422 E530 R531 R532 K578 G582Y422-L528 HydrophobicContact CD2-CD2 3.78Å; Y422-L528 HydrophobicContact CD2-CG 3.93Å; Y422-L528 HydrophobicContact CE2-CG 4.27Å; L528-E530 VanDerWaalsContact C-N 3.34Å; L528-E530 PolarHBondContact O-N 2.53Å; L528-R531 PolarHBondContact O-N 2.97Å; L528-R532 WeakPolarHBondContact O-CB 3.13Å; L528-R532 PolarHBondContact O-N 3.03Å; L528-K578 HydrophobicContact CD2-CB 3.26Å; L528-K578 HydrophobicContact CD2-CD 3.58Å; L528-K578 HydrophobicContact CD2-CG 4.05Å; L528-G582 WeakPolarHBondContact CB-O 3.38Å; L528-G582 PolarHBondContact N-O 3.22Å
529C96.2Very high94.8Very high40 Ų4048.3 Ų48.327%0.2726%0.257SS..Hα-helixtrans-59.8-39.7173.856.80000113.4Y422 P527 K533 V580Y422-C529 HydrophobicContact CE2-CB 4.04Å; Y422-C529 WeakPolarHBondContact OH-CB 3.28Å; P527-C529 VanDerWaalsContact CB-SG 3.59Å; P527-C529 PolarHBondContact O-N 2.8Å; C529-K533 VanDerWaalsContact O-CB 3.27Å; C529-K533 WeakPolarHBondContact O-CB 3.39Å; C529-K533 PolarHBondContact O-N 3.27Å; C529-V580 HydrophobicContact CB-CG1 3.86Å; C529-V580 PolarHBondContact N-O 2.86Å
530E97.3Very high94.9Very high89 Ų8949.2 Ų49.242%0.41627%0.265SS..Hα-helixtrans-68.1-41.3172.9-71.8-175.4-139.900111.8R526 P527 L528 K533 F534R526-E530 HydrophobicContact CB-CB 4.3Å; R526-E530 WeakPolarHBondContact CD-OE2 3.36Å; R526-E530 IonicContact NH1-OE2 2.71Å; R526-E530 PolarHBondContact NH1-OE2 2.89Å; P527-E530 WeakPolarHBondContact CD-OE1 3.34Å; P527-E530 WeakPolarHBondContact O-CB 3.29Å; P527-E530 PolarHBondContact O-N 3.07Å; L528-E530 VanDerWaalsContact C-N 3.34Å; L528-E530 PolarHBondContact O-N 2.53Å; E530-K533 PolarHBondContact O-N 3.27Å; E530-F534 VanDerWaalsContact O-CB 3.26Å; E530-F534 WeakPolarHBondContact O-CB 3.32Å; E530-F534 PolarHBondContact O-N 3.05Å
531R96.8Very high95.2Very high1 Ų151.2 Ų51.20%0.00426%0.262CS..Hα-helixtrans-73.7-32.6-175.6-58.4-176-50.5101.78.7112D514 C515 L523 R526 P527 L528 L535D514-R531 IonicContact OD1-CZ 2.66Å; D514-R531 VanDerWaalsContact OD1-CZ 3.24Å; D514-R531 IonicContact OD1-NH1 2.74Å; D514-R531 PolarHBondContact OD1-NH1 2.99Å; D514-R531 IonicContact OD1-NH2 3.21Å; D514-R531 PolarHBondContact OD1-NH2 2.93Å; D514-R531 IonicContact OD2-CZ 3.36Å; D514-R531 IonicContact OD2-NH1 2.71Å; D514-R531 PolarHBondContact OD2-NH1 2.95Å; D514-R531 IonicContact OD2-NH2 2.64Å; D514-R531 PolarHBondContact OD2-NH2 2.83Å; C515-R531 PolarHBondContact O-NH1 3.35Å; L523-R531 HydrophobicContact CB-CG 4.26Å; L523-R531 WeakPolarHBondContact O-CD 3.26Å; R526-R531 HydrophobicContact CB-CG 3.76Å; R526-R531 WeakPolarHBondContact O-CD 3.34Å; R526-R531 PolarHBondContact O-NE 3.05Å; P527-R531 WeakPolarHBondContact O-CG 3.45Å; P527-R531 PolarHBondContact O-N 2.68Å; P527-R531 VanDerWaalsContact O-N 3.08Å; L528-R531 PolarHBondContact O-N 2.97Å; R531-L535 PolarHBondContact O-N 3.43Å; R531-L535 VanDerWaalsContact O-N 3.15Å
532R95Very high95.4Very high23 Ų2349.6 Ų49.69%0.08725%0.252CS..Hα-helixtrans-72.6-46.9170.1-178.763.1-157-131.93111.3L528 F534 L535 D536 S549 M551L528-R532 WeakPolarHBondContact O-CB 3.13Å; L528-R532 PolarHBondContact O-N 3.03Å; R532-F534 PolarHBondContact O-N 3.43Å; R532-L535 WeakPolarHBondContact O-CA 3.35Å; R532-L535 VanDerWaalsContact O-CB 3.3Å; R532-L535 WeakPolarHBondContact O-CB 3.45Å; R532-L535 PolarHBondContact O-N 3.4Å; R532-D536 IonicContact CZ-OD1 3.42Å; R532-D536 VanDerWaalsContact CZ-OD1 3.23Å; R532-D536 IonicContact NE-OD1 2.62Å; R532-D536 PolarHBondContact NE-OD1 2.95Å; R532-D536 IonicContact NE-OD2 2.66Å; R532-D536 PolarHBondContact NE-OD2 3.39Å; R532-D536 IonicContact NH2-OD1 2.75Å; R532-D536 PolarHBondContact NH2-OD1 3.48Å; R532-D536 VanDerWaalsContact O-CG 3.28Å; R532-D536 PolarHBondContact O-N 2.74Å; R532-D536 VanDerWaalsContact O-OD2 3.05Å; R532-S549 PolarHBondContact NH1-O 3.04Å; R532-M551 HydrophobicContact CB-CE 4.5Å; R532-M551 HydrophobicContact CG-CE 3.84Å; R532-M551 HydrophobicContact CG-SD 3.88Å
533K95.8Very high95.3Very high104 Ų10452.4 Ų52.445%0.45227%0.269SS..Hα-helixtrans-56.5-38.9172.3174.3160.7175.350.70111.9C529 E530 L535 D536 D537C529-K533 VanDerWaalsContact O-CB 3.27Å; C529-K533 WeakPolarHBondContact O-CB 3.39Å; C529-K533 PolarHBondContact O-N 3.27Å; E530-K533 PolarHBondContact O-N 3.27Å; K533-L535 VanDerWaalsContact C-N 3.34Å; K533-L535 PolarHBondContact O-N 2.81Å; K533-D536 PolarHBondContact O-N 3.26Å; K533-D537 VanDerWaalsContact CE-OD2 3.25Å; K533-D537 WeakPolarHBondContact CE-OD2 2.86Å; K533-D537 VanDerWaalsContact CG-OD2 3.29Å; K533-D537 WeakPolarHBondContact CG-OD2 2.95Å; K533-D537 IonicContact NZ-OD1 3.54Å; K533-D537 PolarHBondContact NZ-OD1 2.96Å; K533-D537 IonicContact NZ-OD2 3.05Å; K533-D537 PolarHBondContact NZ-OD2 2.75Å; K533-D537 VanDerWaalsContact O-CB 3.29Å; K533-D537 WeakPolarHBondContact O-CB 2.92Å; K533-D537 PolarHBondContact O-N 3.03Å
534F96.2Very high95.1Very high37 Ų3753.7 Ų53.716%0.16228%0.276CS..Hα-helixtrans-62.1-40174.9-174-87.9000112.4F518 L523 E530 R532 N538F518-F534 HydrophobicContact CB-CE1 3.71Å; F518-F534 HydrophobicContact CB-CZ 3.88Å; F518-F534 AromaticContact CD1-CE1 3.91Å; F518-F534 HydrophobicContact CD1-CE1 3.91Å; F518-F534 AromaticContact CD1-CZ 3.48Å; F518-F534 HydrophobicContact CD1-CZ 3.48Å; F518-F534 VanDerWaalsContact CD1-CZ 3.48Å; F518-F534 AromaticContact CD2-CE1 3.79Å; F518-F534 HydrophobicContact CD2-CE1 3.79Å; F518-F534 HydrophobicContact CD2-CZ 4.23Å; F518-F534 HydrophobicContact CE1-CE1 4.39Å; F518-F534 AromaticContact CE1-CZ 3.93Å; F518-F534 HydrophobicContact CE1-CZ 3.93Å; F518-F534 HydrophobicContact CE2-CE1 4.29Å; F518-F534 AromaticContact CG-CE1 3.56Å; F518-F534 HydrophobicContact CG-CE1 3.56Å; F518-F534 AromaticContact CG-CZ 3.63Å; F518-F534 HydrophobicContact CG-CZ 3.63Å; F518-F534 HydrophobicContact CZ-CZ 4.47Å; L523-F534 HydrophobicContact CD1-CD1 3.75Å; L523-F534 HydrophobicContact CD1-CE1 4.11Å; L523-F534 HydrophobicContact CD1-CG 4.14Å; E530-F534 VanDerWaalsContact O-CB 3.26Å; E530-F534 WeakPolarHBondContact O-CB 3.32Å; E530-F534 PolarHBondContact O-N 3.05Å; R532-F534 PolarHBondContact O-N 3.43Å; F534-N538 HydrophobicContact CE1-CB 4.29Å; F534-N538 WeakPolarHBondContact CE2-ND2 2.98Å; F534-N538 HydrophobicContact CZ-CB 4.43Å; F534-N538 WeakPolarHBondContact O-CB 3.3Å; F534-N538 PolarHBondContact O-N 3.16Å; F534-N538 PolarHBondContact O-ND2 3.33Å
535L95.1Very high95.1Very high1 Ų155.5 Ų55.51%0.00528%0.283CS..Hα-helixtrans-60.9-52.2170-82.8175.3000111.3F467 L475 V512 C515 R531 R532 K533 D537 N538 M539 F548F467-L535 HydrophobicContact CE1-CD2 4.04Å; F467-L535 HydrophobicContact CZ-CD2 4.08Å; L475-L535 HydrophobicContact CD2-CD2 4.35Å; V512-L535 HydrophobicContact CG1-CD1 4.11Å; V512-L535 HydrophobicContact CG1-CD2 3.83Å; C515-L535 HydrophobicContact CB-CD1 4.41Å; C515-L535 HydrophobicContact CB-CD2 3.87Å; C515-L535 HydrophobicContact CB-CG 3.84Å; R531-L535 PolarHBondContact O-N 3.43Å; R531-L535 VanDerWaalsContact O-N 3.15Å; R532-L535 WeakPolarHBondContact O-CA 3.35Å; R532-L535 VanDerWaalsContact O-CB 3.3Å; R532-L535 WeakPolarHBondContact O-CB 3.45Å; R532-L535 PolarHBondContact O-N 3.4Å; K533-L535 VanDerWaalsContact C-N 3.34Å; K533-L535 PolarHBondContact O-N 2.81Å; L535-D537 PolarHBondContact O-N 2.92Å; L535-N538 PolarHBondContact O-N 2.98Å; L535-N538 VanDerWaalsContact O-N 3.16Å; L535-M539 VanDerWaalsContact O-CB 3.26Å; L535-M539 WeakPolarHBondContact O-CB 3.27Å; L535-M539 PolarHBondContact O-N 3.01Å; L535-F548 HydrophobicContact CB-CE1 4.09Å
536D94.2Very high95.3Very high74 Ų7448.7 Ų48.740%0.39625%0.251SS..Hα-helixtrans-62-31.3-177.8-54.2-45000112.3R532 K533R532-D536 IonicContact CZ-OD1 3.42Å; R532-D536 VanDerWaalsContact CZ-OD1 3.23Å; R532-D536 IonicContact NE-OD1 2.62Å; R532-D536 PolarHBondContact NE-OD1 2.95Å; R532-D536 IonicContact NE-OD2 2.66Å; R532-D536 PolarHBondContact NE-OD2 3.39Å; R532-D536 IonicContact NH2-OD1 2.75Å; R532-D536 PolarHBondContact NH2-OD1 3.48Å; R532-D536 VanDerWaalsContact O-CG 3.28Å; R532-D536 PolarHBondContact O-N 2.74Å; R532-D536 VanDerWaalsContact O-OD2 3.05Å; K533-D536 PolarHBondContact O-N 3.26Å
537D95.1Very high95.2Very high94 Ų9446.2 Ų46.250%0.50324%0.244SC..Hα-helixtrans-81.7-18.9177.9-71.6-21.5000114.3K533 L535K533-D537 VanDerWaalsContact CE-OD2 3.25Å; K533-D537 WeakPolarHBondContact CE-OD2 2.86Å; K533-D537 VanDerWaalsContact CG-OD2 3.29Å; K533-D537 WeakPolarHBondContact CG-OD2 2.95Å; K533-D537 IonicContact NZ-OD1 3.54Å; K533-D537 PolarHBondContact NZ-OD1 2.96Å; K533-D537 IonicContact NZ-OD2 3.05Å; K533-D537 PolarHBondContact NZ-OD2 2.75Å; K533-D537 VanDerWaalsContact O-CB 3.29Å; K533-D537 WeakPolarHBondContact O-CB 2.92Å; K533-D537 PolarHBondContact O-N 3.03Å; L535-D537 PolarHBondContact O-N 2.92Å
538N95.6Very high95.2Very high57 Ų5746.1 Ų46.131%0.30524%0.24SC..Hα-helixtrans-127.1-5.4-170.6-65.5-100.1000114.7F518 F534 L535F518-N538 HydrophobicContact CZ-CB 4.49Å; F534-N538 HydrophobicContact CE1-CB 4.29Å; F534-N538 WeakPolarHBondContact CE2-ND2 2.98Å; F534-N538 HydrophobicContact CZ-CB 4.43Å; F534-N538 WeakPolarHBondContact O-CB 3.3Å; F534-N538 PolarHBondContact O-N 3.16Å; F534-N538 PolarHBondContact O-ND2 3.33Å; L535-N538 PolarHBondContact O-N 2.98Å; L535-N538 VanDerWaalsContact O-N 3.16Å
539M95.9Very high95.1Very high10 Ų1046.1 Ų46.15%0.04924%0.24CC..  trans-112.9134.8177.2-176.1177.4127.100111.2A466 F467 V512 L535 E541 I546 F548A466-M539 HydrophobicContact CB-CG 4.49Å; A466-M539 CarbonylContact O-C 3.51Å; A466-M539 VanDerWaalsContact O-CA 3.25Å; A466-M539 WeakPolarHBondContact O-CA 3.09Å; F467-M539 HydrophobicContact CD1-CB 4.13Å; F467-M539 HydrophobicContact CD2-CG 4.43Å; F467-M539 HydrophobicContact CE1-CB 3.62Å; F467-M539 HydrophobicContact CE1-CG 3.98Å; F467-M539 HydrophobicContact CE1-SD 4.27Å; F467-M539 HydrophobicContact CE2-CB 4.42Å; F467-M539 HydrophobicContact CE2-CG 3.85Å; F467-M539 HydrophobicContact CE2-SD 3.77Å; F467-M539 HydrophobicContact CZ-CB 3.78Å; F467-M539 HydrophobicContact CZ-CG 3.62Å; F467-M539 HydrophobicContact CZ-SD 3.44Å; F467-M539 WeakPolarHBondContact CZ-SD 3.3Å; V512-M539 HydrophobicContact CB-CE 4.39Å; V512-M539 HydrophobicContact CB-SD 3.98Å; V512-M539 HydrophobicContact CG1-SD 4.24Å; V512-M539 HydrophobicContact CG2-CE 4.43Å; V512-M539 HydrophobicContact CG2-SD 4.02Å; L535-M539 VanDerWaalsContact O-CB 3.26Å; L535-M539 WeakPolarHBondContact O-CB 3.27Å; L535-M539 PolarHBondContact O-N 3.01Å; M539-E541 HydrophobicContact CE-CG 4.32Å; M539-I546 HydrophobicContact CE-CG2 3.92Å; M539-I546 HydrophobicContact SD-CG2 4.27Å; M539-F548 HydrophobicContact CB-CE1 3.72Å; M539-F548 HydrophobicContact CB-CZ 3.72Å; M539-F548 HydrophobicContact CE-CD1 3.64Å; M539-F548 HydrophobicContact CE-CD2 4.14Å; M539-F548 HydrophobicContact CE-CE1 3.7Å; M539-F548 HydrophobicContact CE-CE2 4.2Å; M539-F548 HydrophobicContact CE-CG 3.87Å; M539-F548 HydrophobicContact CE-CZ 4Å; M539-F548 HydrophobicContact CG-CE1 3.98Å; M539-F548 HydrophobicContact CG-CZ 4.01Å; M539-F548 HydrophobicContact SD-CD1 4Å; M539-F548 HydrophobicContact SD-CE1 3.69Å; M539-F548 HydrophobicContact SD-CZ 4.25Å
540V96.4Very high94.8Very high86 Ų8648.4 Ų48.452%0.52125%0.246SC..  trans-105.1132.2167.9-1760000107.9A466A466-V540 VanDerWaalsContact CA-O 3.29Å; A466-V540 WeakPolarHBondContact CA-O 3.34Å; A466-V540 WeakPolarHBondContact CB-O 3.25Å; A466-V540 PolarHBondContact O-N 3.49Å
541E95.3Very high94.6Very high90 Ų9046.3 Ų46.342%0.42124%0.237SC..  trans-68.2137.1174.5-66.6-158.813100111.4M539 I546 L547 F548M539-E541 HydrophobicContact CE-CG 4.32Å; E541-I546 WeakPolarHBondContact CA-O 3.26Å; E541-L547 HydrophobicContact CB-CD2 4.16Å; E541-L547 HydrophobicContact CG-CD2 4.43Å; E541-L547 WeakPolarHBondContact OE1-CA 3.26Å; E541-F548 HydrophobicContact CG-CD2 3.52Å; E541-F548 HydrophobicContact CG-CE2 3.69Å; E541-F548 HydrophobicContact CG-CG 4.48Å; E541-F548 WeakPolarHBondContact OE1-CD2 3.24Å; E541-F548 PolarHBondContact OE1-N 3.11Å
542V95.1Very high94.4Very high20 Ų2050.2 Ų50.212%0.12125%0.254CS..BIsolated β-bridgetrans-109.9107.4171.3-174.80000107Y462 Q465 A466 N544 R545 I546Y462-V542 HydrophobicContact CD1-CG1 3.91Å; Q465-V542 HydrophobicContact CB-CG2 4.23Å; A466-V542 HydrophobicContact CB-CG2 3.9Å; V542-N544 PolarHBondContact O-N 3.3Å; V542-R545 HydrophobicContact CB-CB 4.05Å; V542-R545 HydrophobicContact CG1-CB 3.76Å; V542-R545 HydrophobicContact CG1-CG 4.11Å; V542-R545 WeakPolarHBondContact O-CB 3.34Å; V542-R545 PolarHBondContact O-N 2.89Å; V542-I546 HydrophobicContact CB-CB 4.38Å; V542-I546 PolarHBondContact N-O 3.46Å; V542-I546 PolarHBondContact O-N 2.74Å
543P92.1Very high94.4Very high106 Ų10653.8 Ų53.869%0.68827%0.272SS*.THydrogen-bonded Turntrans-50.9133.2-172-31.636.4000113.8R545P543-R545 PolarHBondContact O-N 2.58Å
544N90.1Very high94.3Very high31 Ų3148.9 Ų48.917%0.16625%0.25CS..THydrogen-bonded Turntrans54.820.3-177.4-64.7-37.5000115.2S487 V542S487-N544 PolarHBondContact OG-ND2 2.66Å; S487-N544 PolarHBondContact OG-OD1 2.75Å; V542-N544 PolarHBondContact O-N 3.3Å
545R93.2Very high94.2Very high39 Ų3951 Ų5115%0.14727%0.266CS..THydrogen-bonded Turntrans-132.9-55.5180-68.7-65-171.4-148.6-5.9114F459 Y462 N507 C509 L510 V542 P543F459-R545 WeakPolarHBondContact CE1-O 3.18Å; Y462-R545 HydrophobicContact CD1-CB 4.2Å; Y462-R545 HydrophobicContact CD1-CG 3.84Å; Y462-R545 HydrophobicContact CD2-CB 4.48Å; Y462-R545 HydrophobicContact CD2-CG 4.23Å; Y462-R545 HydrophobicContact CE1-CG 3.83Å; Y462-R545 HydrophobicContact CE2-CG 4.28Å; Y462-R545 HydrophobicContact CG-CB 4.08Å; Y462-R545 HydrophobicContact CG-CG 4.03Å; Y462-R545 PolarHBondContact OH-NE 3.18Å; N507-R545 PolarHBondContact OD1-NH1 2.75Å; N507-R545 PolarHBondContact OD1-NH2 3.36Å; C509-R545 CarbonylContact C-O 3.53Å; C509-R545 WeakPolarHBondContact CA-O 3.36Å; C509-R545 PolarHBondContact SG-O 2.95Å; C509-R545 VanDerWaalsContact SG-O 3.42Å; L510-R545 PolarHBondContact N-O 2.9Å; V542-R545 HydrophobicContact CB-CB 4.05Å; V542-R545 HydrophobicContact CG1-CB 3.76Å; V542-R545 HydrophobicContact CG1-CG 4.11Å; V542-R545 WeakPolarHBondContact O-CB 3.34Å; V542-R545 PolarHBondContact O-N 2.89Å; P543-R545 PolarHBondContact O-N 2.58Å
546I95.7Very high94.1Very high0 Ų059.2 Ų59.20%030%0.297CS..EExtended strand (participates in β ladder)trans-141.5110.9-178.7-55.7-177.8000107.2F459 Y462 I463 A466 L510 V512 M539 E541 V542F459-I546 HydrophobicContact CD1-CG1 4.4Å; Y462-I546 VanDerWaalsContact C-CD1 3.47Å; I463-I546 HydrophobicContact CB-CD1 4.24Å; I463-I546 HydrophobicContact CG1-CD1 3.62Å; A466-I546 HydrophobicContact CB-CB 4.18Å; A466-I546 HydrophobicContact CB-CD1 3.84Å; A466-I546 HydrophobicContact CB-CG2 3.98Å; L510-I546 HydrophobicContact CB-CG1 4.42Å; L510-I546 WeakPolarHBondContact O-CA 3.5Å; V512-I546 HydrophobicContact CG2-CG2 3.91Å; M539-I546 HydrophobicContact CE-CG2 3.92Å; M539-I546 HydrophobicContact SD-CG2 4.27Å; E541-I546 WeakPolarHBondContact CA-O 3.26Å; V542-I546 HydrophobicContact CB-CB 4.38Å; V542-I546 PolarHBondContact N-O 3.46Å; V542-I546 PolarHBondContact O-N 2.74Å
547L95.3Very high94Very high30 Ų3057.2 Ų57.216%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-125.2157.7-176.6-58.5176000109.1I482 L510 F511 V512 E541I482-L547 HydrophobicContact CD1-CD1 4.17Å; L510-L547 PolarHBondContact O-N 2.99Å; F511-L547 CarbonylContact C-O 3.45Å; F511-L547 WeakPolarHBondContact CA-O 3.43Å; F511-L547 HydrophobicContact CD1-CB 4.08Å; F511-L547 HydrophobicContact CE1-CB 4.12Å; F511-L547 HydrophobicContact CE1-CD1 3.89Å; F511-L547 HydrophobicContact CZ-CD1 4.17Å; V512-L547 PolarHBondContact N-O 3.4Å; E541-L547 HydrophobicContact CB-CD2 4.16Å; E541-L547 HydrophobicContact CG-CD2 4.43Å; E541-L547 WeakPolarHBondContact OE1-CA 3.26Å
548F96.1Very high93.8Very high35 Ų3554.5 Ų54.515%0.15429%0.285CS..EExtended strand (participates in β ladder)trans-71.5158.9166.5-64.2-70.3000110.6V512 L535 M539 E541V512-F548 CarbonylContact O-C 3.41Å; L535-F548 HydrophobicContact CB-CE1 4.09Å; M539-F548 HydrophobicContact CB-CE1 3.72Å; M539-F548 HydrophobicContact CB-CZ 3.72Å; M539-F548 HydrophobicContact CE-CD1 3.64Å; M539-F548 HydrophobicContact CE-CD2 4.14Å; M539-F548 HydrophobicContact CE-CE1 3.7Å; M539-F548 HydrophobicContact CE-CE2 4.2Å; M539-F548 HydrophobicContact CE-CG 3.87Å; M539-F548 HydrophobicContact CE-CZ 4Å; M539-F548 HydrophobicContact CG-CE1 3.98Å; M539-F548 HydrophobicContact CG-CZ 4.01Å; M539-F548 HydrophobicContact SD-CD1 4Å; M539-F548 HydrophobicContact SD-CE1 3.69Å; M539-F548 HydrophobicContact SD-CZ 4.25Å; E541-F548 HydrophobicContact CG-CD2 3.52Å; E541-F548 HydrophobicContact CG-CE2 3.69Å; E541-F548 HydrophobicContact CG-CG 4.48Å; E541-F548 WeakPolarHBondContact OE1-CD2 3.24Å; E541-F548 PolarHBondContact OE1-N 3.11Å
549S94.3Very high93.6Very high2 Ų253.3 Ų53.31%0.01428%0.279CS..PPolyproline II helixtrans-65.9135.4159.453.60000110.8E424 V512 F513 R532 M551E424-S549 WeakPolarHBondContact OE2-CB 3.41Å; E424-S549 PolarHBondContact OE2-OG 2.79Å; V512-S549 PolarHBondContact O-N 2.6Å; F513-S549 WeakPolarHBondContact CA-OG 3.29Å; F513-S549 VanDerWaalsContact CB-OG 3.3Å; F513-S549 WeakPolarHBondContact CB-OG 3.26Å; R532-S549 PolarHBondContact NH1-O 3.04Å; S549-M551 PolarHBondContact O-N 2.88Å
550E91Very high93.4Very high87 Ų8752.9 Ų52.941%0.40728%0.277SS..PPolyproline II helixtrans-64.2127168.3-171.8-168.9138.600108.4E424 I425 Y427 R566E424-E550 VanDerWaalsContact CA-O 3.26Å; E424-E550 WeakPolarHBondContact CA-O 3.41Å; I425-E550 HydrophobicContact CD1-CB 3.97Å; I425-E550 HydrophobicContact CD1-CG 4.32Å; I425-E550 WeakPolarHBondContact CD1-OE2 3.21Å; I425-E550 HydrophobicContact CG1-CB 4.32Å; I425-E550 PolarHBondContact N-O 3.49Å; Y427-E550 PolarHBondContact OH-N 3.29Å; E550-R566 IonicContact OE1-CZ 3.24Å; E550-R566 VanDerWaalsContact OE1-CZ 3.31Å; E550-R566 IonicContact OE1-NH1 2.69Å; E550-R566 PolarHBondContact OE1-NH1 3.21Å; E550-R566 IonicContact OE1-NH2 2.91Å; E550-R566 PolarHBondContact OE1-NH2 3.41Å; E550-R566 IonicContact OE2-NH2 3.04Å
551M92.3Very high93.1Very high46 Ų4649.1 Ų49.123%0.22726%0.255CS..EExtended strand (participates in β ladder)trans-140.3134.6-170.7179.9-171.2-83.500109.7Y422 S423 E424 R532 S549Y422-M551 HydrophobicContact CD1-CE 4.27Å; Y422-M551 HydrophobicContact CD1-CG 3.87Å; Y422-M551 HydrophobicContact CD1-SD 3.29Å; Y422-M551 WeakPolarHBondContact CD1-SD 3.29Å; Y422-M551 HydrophobicContact CE1-SD 3.9Å; Y422-M551 HydrophobicContact CG-CE 4Å; Y422-M551 HydrophobicContact CG-CG 4.26Å; Y422-M551 HydrophobicContact CG-SD 3.64Å; S423-M551 WeakPolarHBondContact O-CA 3.41Å; E424-M551 HydrophobicContact CG-CB 3.8Å; E424-M551 HydrophobicContact CG-CE 3.92Å; E424-M551 HydrophobicContact CG-CG 3.92Å; E424-M551 WeakPolarHBondContact OE1-CE 3.24Å; R532-M551 HydrophobicContact CB-CE 4.5Å; R532-M551 HydrophobicContact CG-CE 3.84Å; R532-M551 HydrophobicContact CG-SD 3.88Å; S549-M551 PolarHBondContact O-N 2.88Å
552K93.3Very high92.8Very high83 Ų8350.8 Ų50.836%0.36126%0.263SS..EExtended strand (participates in β ladder)trans-116.1137.8163.1-169.2-175.4178.2-172.20108.9S423 V554 M563S423-K552 PolarHBondContact N-O 3.17Å; S423-K552 PolarHBondContact O-N 3.4Å; K552-V554 HydrophobicContact CB-CG2 4.38Å; K552-V554 HydrophobicContact CD-CG2 4.34Å; K552-V554 HydrophobicContact CG-CG2 4.31Å; K552-M563 HydrophobicContact CB-CE 3.37Å; K552-M563 HydrophobicContact CB-SD 4.46Å; K552-M563 HydrophobicContact CD-CE 3.9Å; K552-M563 HydrophobicContact CG-CE 4.26Å
553H94.7Very high92.6Very high98 Ų9850.3 Ų50.345%0.45426%0.259SS..EExtended strand (participates in β ladder)trans-76.5126.8165.7-179-136.4000108.9Y422 T555Y422-H553 HydrophobicContact CD1-CB 4.2Å; Y422-H553 HydrophobicContact CE1-CB 4.12Å; H553-T555 VanDerWaalsContact CE1-CG2 3.48Å; H553-T555 WeakPolarHBondContact CE1-CG2 3.27Å
554V94.2Very high92.4Very high0 Ų045.5 Ų45.50%023%0.228CC..EExtended strand (participates in β ladder)trans-127.2118.8-171.4169.60000109.1M421 K552 D559 L560M421-V554 HydrophobicContact CG-CB 3.87Å; M421-V554 HydrophobicContact CG-CG1 4.12Å; M421-V554 PolarHBondContact N-O 3.25Å; M421-V554 PolarHBondContact O-N 3.42Å; M421-V554 HydrophobicContact SD-CG1 4.38Å; K552-V554 HydrophobicContact CB-CG2 4.38Å; K552-V554 HydrophobicContact CD-CG2 4.34Å; K552-V554 HydrophobicContact CG-CG2 4.31Å; V554-D559 HydrophobicContact CG1-CB 4.36Å; V554-L560 HydrophobicContact CG1-CB 3.92Å
555T92.5Very high92.3Very high81 Ų8145 Ų4550%0.49723%0.226SC..  trans-117.9-10.5-178.756.40000113.3M414 H553M414-T555 WeakPolarHBondContact CE-O 3.45Å; H553-T555 VanDerWaalsContact CE1-CG2 3.48Å; H553-T555 WeakPolarHBondContact CE1-CG2 3.27Å
556R93.3Very high92Very high174 Ų17447.1 Ų47.166%0.65723%0.234SC*.SBendtrans-126.2151.3-178.8-57.2174.371.9-167.70.4111.3G558 D559 L560R556-G558 VanDerWaalsContact C-N 3.34Å; R556-G558 PolarHBondContact O-N 3.1Å; R556-D559 WeakPolarHBondContact CB-OD1 3.11Å; R556-L560 PolarHBondContact O-N 3Å
557A92.1Very high91.6Very high32 Ų3247.1 Ų47.126%0.26423%0.234SC..Hα-helixtrans-65.8-32.4-179.700000113.6I410 M414 L560 A561 A760I410-A557 HydrophobicContact CG2-CB 3.7Å; M414-A557 HydrophobicContact CG-CB 4.17Å; M414-A557 HydrophobicContact SD-CB 4.44Å; A557-L560 PolarHBondContact O-N 2.97Å; A557-A561 PolarHBondContact O-N 2.62Å; A557-A760 HydrophobicContact CB-CB 3.87Å
558G91.3Very high91Very high37 Ų3746.2 Ų46.238%0.38123%0.229SC..Hα-helixtrans-63.6-51.3176.800000112.3R556 L560 A561 E562R556-G558 VanDerWaalsContact C-N 3.34Å; R556-G558 PolarHBondContact O-N 3.1Å; G558-L560 PolarHBondContact O-N 3.35Å; G558-L560 VanDerWaalsContact O-N 3.11Å; G558-A561 WeakPolarHBondContact O-CA 3.44Å; G558-A561 WeakPolarHBondContact O-CB 3.49Å; G558-A561 PolarHBondContact O-N 3.41Å; G558-E562 PolarHBondContact O-N 3.17Å
559D91.6Very high90.3Very high33 Ų3351.8 Ų51.818%0.17625%0.249CC..Hα-helixtrans-57-30.6178.5-381.6000112.4V554 R556 M563V554-D559 HydrophobicContact CG1-CB 4.36Å; R556-D559 WeakPolarHBondContact CB-OD1 3.11Å; D559-M563 WeakPolarHBondContact O-CB 3.23Å; D559-M563 PolarHBondContact O-N 2.91Å
560L91.6Very high89.6Confident1 Ų156.5 Ų56.51%0.00527%0.271CS..Hα-helixtrans-74.6-43.5173.9-172.855000111.9I410 A413 M421 V554 R556 A557 G558 E562 M563 I564 L575 L577I410-L560 HydrophobicContact CG1-CD2 4.42Å; I410-L560 HydrophobicContact CG1-CG 4.48Å; I410-L560 HydrophobicContact CG2-CD2 4.27Å; A413-L560 HydrophobicContact CB-CD2 3.81Å; M421-L560 HydrophobicContact CE-CD2 4.15Å; M421-L560 HydrophobicContact SD-CD1 4.38Å; M421-L560 HydrophobicContact SD-CD2 3.92Å; V554-L560 HydrophobicContact CG1-CB 3.92Å; R556-L560 PolarHBondContact O-N 3Å; A557-L560 PolarHBondContact O-N 2.97Å; G558-L560 PolarHBondContact O-N 3.35Å; G558-L560 VanDerWaalsContact O-N 3.11Å; L560-E562 VanDerWaalsContact C-N 3.35Å; L560-E562 PolarHBondContact O-N 2.88Å; L560-M563 PolarHBondContact O-N 3.25Å; L560-I564 HydrophobicContact CD1-CD1 4.23Å; L560-I564 HydrophobicContact CD1-CG1 4.34Å; L560-I564 HydrophobicContact CG-CD1 3.91Å; L560-I564 HydrophobicContact CG-CG1 4.48Å; L560-I564 WeakPolarHBondContact O-CB 3.39Å; L560-I564 WeakPolarHBondContact O-CD1 3.22Å; L560-I564 VanDerWaalsContact O-CG1 3.22Å; L560-I564 WeakPolarHBondContact O-CG1 3.46Å; L560-I564 PolarHBondContact O-N 3.43Å; L560-L575 HydrophobicContact CD1-CD1 4.2Å; L560-L577 HydrophobicContact CD1-CD1 4.14Å; L560-L577 HydrophobicContact CD1-CD2 3.75Å; L560-L577 HydrophobicContact CD2-CD1 4.04Å
561A89.7Confident88.9Confident7 Ų755.6 Ų55.66%0.05828%0.284CS..Hα-helixtrans-59.2-44.3174.900000112.3I410 A557 G558 T565I410-A561 HydrophobicContact CD1-CB 3.59Å; A557-A561 PolarHBondContact O-N 2.62Å; G558-A561 WeakPolarHBondContact O-CA 3.44Å; G558-A561 WeakPolarHBondContact O-CB 3.49Å; G558-A561 PolarHBondContact O-N 3.41Å; A561-T565 WeakPolarHBondContact O-CB 3.46Å; A561-T565 PolarHBondContact O-N 2.61Å; A561-T565 PolarHBondContact O-OG1 2.74Å
562E89.7Confident88.5Confident124 Ų12455.7 Ų55.758%0.57929%0.286SS*.Hα-helixtrans-57.3-50.6173.2-72.1175.1-178.700111.3G558 L560 T565 R566G558-E562 PolarHBondContact O-N 3.17Å; L560-E562 VanDerWaalsContact C-N 3.35Å; L560-E562 PolarHBondContact O-N 2.88Å; E562-T565 PolarHBondContact O-N 3.25Å; E562-R566 WeakPolarHBondContact O-CB 3.18Å; E562-R566 PolarHBondContact O-N 2.81Å
563M89.9Confident88.1Confident11 Ų1153.6 Ų53.65%0.05428%0.277CS..Hα-helixtrans-66.2-40.7-177.7-176.7173.1-9400112.3S423 K552 D559 L560 T565 R566 V567 L575S423-M563 PolarHBondContact OG-SD 3.11Å; K552-M563 HydrophobicContact CB-CE 3.37Å; K552-M563 HydrophobicContact CB-SD 4.46Å; K552-M563 HydrophobicContact CD-CE 3.9Å; K552-M563 HydrophobicContact CG-CE 4.26Å; D559-M563 WeakPolarHBondContact O-CB 3.23Å; D559-M563 PolarHBondContact O-N 2.91Å; L560-M563 PolarHBondContact O-N 3.25Å; M563-T565 VanDerWaalsContact C-N 3.3Å; M563-T565 PolarHBondContact O-N 3.22Å; M563-R566 PolarHBondContact O-N 2.95Å; M563-V567 HydrophobicContact CG-CG2 4.17Å; M563-V567 WeakPolarHBondContact O-CB 3.26Å; M563-V567 VanDerWaalsContact O-CG2 3.32Å; M563-V567 WeakPolarHBondContact O-CG2 3.2Å; M563-V567 PolarHBondContact O-N 3Å; M563-L575 HydrophobicContact CB-CD1 4.37Å; M563-L575 HydrophobicContact CG-CD1 3.85Å; M563-L575 HydrophobicContact CG-CD2 3.88Å; M563-L575 HydrophobicContact CG-CG 4.47Å; M563-L575 HydrophobicContact SD-CD1 4.2Å; M563-L575 HydrophobicContact SD-CD2 3.71Å
564I88.8Confident87.9Confident4 Ų449 Ų492%0.02126%0.257CS..Hα-helixtrans-58.1-46.2173.4-69.2164.1000110I410 L560 I568 L575 V594 L599 V758I410-I564 HydrophobicContact CD1-CD1 4.16Å; I410-I564 HydrophobicContact CG1-CD1 3.87Å; L560-I564 HydrophobicContact CD1-CD1 4.23Å; L560-I564 HydrophobicContact CD1-CG1 4.34Å; L560-I564 HydrophobicContact CG-CD1 3.91Å; L560-I564 HydrophobicContact CG-CG1 4.48Å; L560-I564 WeakPolarHBondContact O-CB 3.39Å; L560-I564 WeakPolarHBondContact O-CD1 3.22Å; L560-I564 VanDerWaalsContact O-CG1 3.22Å; L560-I564 WeakPolarHBondContact O-CG1 3.46Å; L560-I564 PolarHBondContact O-N 3.43Å; I564-I568 HydrophobicContact CG2-CD1 3.84Å; I564-I568 WeakPolarHBondContact O-CG1 2.9Å; I564-I568 PolarHBondContact O-N 3.5Å; I564-I568 VanDerWaalsContact O-N 3.15Å; I564-L575 HydrophobicContact CB-CD1 4.5Å; I564-L575 HydrophobicContact CG1-CD1 3.64Å; I564-V594 HydrophobicContact CD1-CG1 3.94Å; I564-V594 HydrophobicContact CG1-CG1 4Å; I564-V594 HydrophobicContact CG2-CG1 4.4Å; I564-L599 HydrophobicContact CG2-CD1 3.59Å; I564-V758 HydrophobicContact CG2-CG2 3.82Å
565T86.9Confident87.9Confident21 Ų2149 Ų4913%0.12926%0.257CS..Hα-helixtrans-64.9-41.9179.6-53.70000111.5A561 E562 M563 R569A561-T565 WeakPolarHBondContact O-CB 3.46Å; A561-T565 PolarHBondContact O-N 2.61Å; A561-T565 PolarHBondContact O-OG1 2.74Å; E562-T565 PolarHBondContact O-N 3.25Å; M563-T565 VanDerWaalsContact C-N 3.3Å; M563-T565 PolarHBondContact O-N 3.22Å; T565-R569 VanDerWaalsContact O-CB 3.3Å; T565-R569 WeakPolarHBondContact O-CB 3.44Å; T565-R569 PolarHBondContact O-N 2.91Å; T565-R569 VanDerWaalsContact O-N 3.11Å
566R88.4Confident88.1Confident83 Ų8346.3 Ų46.331%0.31324%0.24SC..Hα-helixtrans-59.6-55.4175.9-165.5-160.382.8-173.5-0.1111.3E550 E562 M563 I568 R569 E570E550-R566 IonicContact OE1-CZ 3.24Å; E550-R566 VanDerWaalsContact OE1-CZ 3.31Å; E550-R566 IonicContact OE1-NH1 2.69Å; E550-R566 PolarHBondContact OE1-NH1 3.21Å; E550-R566 IonicContact OE1-NH2 2.91Å; E550-R566 PolarHBondContact OE1-NH2 3.41Å; E550-R566 IonicContact OE2-NH2 3.04Å; E562-R566 WeakPolarHBondContact O-CB 3.18Å; E562-R566 PolarHBondContact O-N 2.81Å; M563-R566 PolarHBondContact O-N 2.95Å; R566-I568 PolarHBondContact O-N 3.44Å; R566-R569 PolarHBondContact O-N 3.07Å; R566-E570 WeakPolarHBondContact CD-OE1 3.48Å; R566-E570 WeakPolarHBondContact CG-OE1 3.38Å; R566-E570 IonicContact CZ-OE2 2.76Å; R566-E570 IonicContact NE-OE1 2.66Å; R566-E570 PolarHBondContact NE-OE1 3.28Å; R566-E570 IonicContact NE-OE2 3.6Å; R566-E570 PolarHBondContact NE-OE2 2.82Å; R566-E570 IonicContact NH2-OE2 2.85Å; R566-E570 WeakPolarHBondContact O-CB 3.43Å; R566-E570 VanDerWaalsContact O-CG 3.31Å; R566-E570 WeakPolarHBondContact O-CG 3.45Å; R566-E570 PolarHBondContact O-N 2.92Å
567V87.6Confident88.3Confident0 Ų038 Ų380%021%0.209CC..Hα-helixtrans-63.1-39.4-173.21640000112.2I425 M563 E570 G571 L572 G574 L575I425-V567 HydrophobicContact CG1-CG2 4.46Å; M563-V567 HydrophobicContact CG-CG2 4.17Å; M563-V567 WeakPolarHBondContact O-CB 3.26Å; M563-V567 VanDerWaalsContact O-CG2 3.32Å; M563-V567 WeakPolarHBondContact O-CG2 3.2Å; M563-V567 PolarHBondContact O-N 3Å; V567-E570 PolarHBondContact O-N 3.4Å; V567-G571 PolarHBondContact O-N 3.34Å; V567-L572 HydrophobicContact CG1-CB 3.72Å; V567-L572 HydrophobicContact CG1-CD1 4.28Å; V567-L572 HydrophobicContact CG2-CD1 4.46Å; V567-L572 WeakPolarHBondContact O-CB 3.15Å; V567-L572 PolarHBondContact O-N 3.5Å; V567-G574 VanDerWaalsContact CG1-O 3.28Å; V567-G574 WeakPolarHBondContact CG1-O 3.45Å; V567-L575 HydrophobicContact CG1-CD2 4.44Å; V567-L575 HydrophobicContact CG1-CG 4.43Å; V567-L575 HydrophobicContact CG2-CD2 3.88Å; V567-L575 HydrophobicContact CG2-CG 4.45Å
568I81.7Confident88.5Confident11 Ų1136.6 Ų36.66%0.05620%0.196CC..Hα-helixtrans-76.5-34.1178.3-57.3168000111.1I564 R566 E570 G571 K596 L599 F756I564-I568 HydrophobicContact CG2-CD1 3.84Å; I564-I568 WeakPolarHBondContact O-CG1 2.9Å; I564-I568 PolarHBondContact O-N 3.5Å; I564-I568 VanDerWaalsContact O-N 3.15Å; R566-I568 PolarHBondContact O-N 3.44Å; I568-E570 VanDerWaalsContact C-N 3.26Å; I568-E570 PolarHBondContact O-N 3.23Å; I568-G571 PolarHBondContact O-N 3.23Å; I568-K596 HydrophobicContact CD1-CB 4.23Å; I568-K596 HydrophobicContact CG2-CB 4.46Å; I568-K596 HydrophobicContact CG2-CD 4.49Å; I568-K596 HydrophobicContact CG2-CG 4.34Å; I568-L599 HydrophobicContact CD1-CD1 4.41Å; I568-F756 HydrophobicContact CB-CE1 4.23Å; I568-F756 HydrophobicContact CB-CZ 3.75Å; I568-F756 HydrophobicContact CD1-CE2 4.36Å; I568-F756 HydrophobicContact CD1-CZ 3.79Å; I568-F756 HydrophobicContact CG1-CZ 4.37Å; I568-F756 HydrophobicContact CG2-CE1 3.69Å; I568-F756 HydrophobicContact CG2-CZ 3.57Å
569R81.9Confident88.7Confident152 Ų15235.9 Ų35.957%0.57418%0.184SC*.Hα-helixtrans-62.4-33.3169.8-176.1-174-68.3154.9-1.3112.4T565 R566 G571T565-R569 VanDerWaalsContact O-CB 3.3Å; T565-R569 WeakPolarHBondContact O-CB 3.44Å; T565-R569 PolarHBondContact O-N 2.91Å; T565-R569 VanDerWaalsContact O-N 3.11Å; R566-R569 PolarHBondContact O-N 3.07Å; R569-G571 PolarHBondContact O-N 2.91Å
570E80.3Confident89Confident102 Ų10235.2 Ų35.248%0.47718%0.181SC..THydrogen-bonded Turntrans-73.9-1.6173.5-71.8164.3170.700113.2R566 V567 I568 L572R566-E570 WeakPolarHBondContact CD-OE1 3.48Å; R566-E570 WeakPolarHBondContact CG-OE1 3.38Å; R566-E570 IonicContact CZ-OE2 2.76Å; R566-E570 IonicContact NE-OE1 2.66Å; R566-E570 PolarHBondContact NE-OE1 3.28Å; R566-E570 IonicContact NE-OE2 3.6Å; R566-E570 PolarHBondContact NE-OE2 2.82Å; R566-E570 IonicContact NH2-OE2 2.85Å; R566-E570 WeakPolarHBondContact O-CB 3.43Å; R566-E570 VanDerWaalsContact O-CG 3.31Å; R566-E570 WeakPolarHBondContact O-CG 3.45Å; R566-E570 PolarHBondContact O-N 2.92Å; V567-E570 PolarHBondContact O-N 3.4Å; I568-E570 VanDerWaalsContact C-N 3.26Å; I568-E570 PolarHBondContact O-N 3.23Å; E570-L572 VanDerWaalsContact C-N 3.27Å; E570-L572 HydrophobicContact CB-CD1 3.94Å; E570-L572 HydrophobicContact CB-CG 3.96Å; E570-L572 PolarHBondContact O-N 2.75Å
571G75.9Confident89.2Confident67 Ų6741.3 Ų41.369%0.69121%0.207SC*.THydrogen-bonded Turntrans72.516.4-179.700000114.2V567 I568 R569V567-G571 PolarHBondContact O-N 3.34Å; I568-G571 PolarHBondContact O-N 3.23Å; R569-G571 PolarHBondContact O-N 2.91Å
572L83.5Confident89.4Confident49 Ų4942.2 Ų42.226%0.25722%0.217SC..  trans-84.2155.6-177.8-58.5170.7000111.3I425 V567 E570 G574I425-L572 HydrophobicContact CD1-CD1 3.95Å; I425-L572 HydrophobicContact CG1-CD1 4.41Å; I425-L572 HydrophobicContact CG2-CD1 4.09Å; V567-L572 HydrophobicContact CG1-CB 3.72Å; V567-L572 HydrophobicContact CG1-CD1 4.28Å; V567-L572 HydrophobicContact CG2-CD1 4.46Å; V567-L572 WeakPolarHBondContact O-CB 3.15Å; V567-L572 PolarHBondContact O-N 3.5Å; E570-L572 VanDerWaalsContact C-N 3.27Å; E570-L572 HydrophobicContact CB-CD1 3.94Å; E570-L572 HydrophobicContact CB-CG 3.96Å; E570-L572 PolarHBondContact O-N 2.75Å; L572-G574 PolarHBondContact O-N 3Å
573E83.6Confident89.7Confident38 Ų3837.7 Ų37.718%0.17820%0.2CC..  trans-66.3-13.4-169.7-151.4-154.2139.300114.8K426 D428 K595K426-E573 HydrophobicContact CD-CB 4.47Å; K426-E573 HydrophobicContact CD-CG 4.45Å; K426-E573 WeakPolarHBondContact CD-OE1 3.41Å; K426-E573 VanDerWaalsContact CE-OE1 3.24Å; K426-E573 WeakPolarHBondContact CE-OE1 3.26Å; K426-E573 WeakPolarHBondContact CE-OE2 3.39Å; K426-E573 IonicContact NZ-OE1 2.65Å; K426-E573 PolarHBondContact NZ-OE1 3.36Å; K426-E573 VanDerWaalsContact NZ-OE1 3.17Å; K426-E573 IonicContact NZ-OE2 3.34Å; K426-E573 PolarHBondContact NZ-OE2 2.7Å; K426-E573 WeakPolarHBondContact O-CB 3.48Å; D428-E573 WeakPolarHBondContact CA-OE2 3.46Å; D428-E573 HydrophobicContact CB-CB 4.1Å; D428-E573 HydrophobicContact CB-CG 4.02Å; D428-E573 WeakPolarHBondContact CB-OE2 3.48Å; D428-E573 PolarHBondContact N-OE2 2.94Å; E573-K595 VanDerWaalsContact CG-NZ 3.33Å; E573-K595 WeakPolarHBondContact O-CE 3.29Å; E573-K595 WeakPolarHBondContact O-CG 3.33Å; E573-K595 WeakPolarHBondContact OE1-CE 3.22Å; E573-K595 IonicContact OE1-NZ 2.67Å; E573-K595 PolarHBondContact OE1-NZ 3.21Å
574G90.6Very high90Very high2 Ų237.3 Ų37.32%0.02120%0.198CC..  trans131.2-152.3-178.300000112.9K426 V567 L572 V594K426-G574 VanDerWaalsContact CB-C 3.48Å; K426-G574 VanDerWaalsContact CB-O 3.29Å; K426-G574 WeakPolarHBondContact CB-O 3.34Å; K426-G574 PolarHBondContact N-O 2.82Å; V567-G574 VanDerWaalsContact CG1-O 3.28Å; V567-G574 WeakPolarHBondContact CG1-O 3.45Å; L572-G574 PolarHBondContact O-N 3Å; G574-V594 WeakPolarHBondContact CA-O 3.5Å
575L94.6Very high90.2Very high1 Ų139.2 Ų39.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-125.4153.7-176.6-69.2168.9000112.4E424 L560 M563 I564 V567 L577 K593 V594E424-L575 CarbonylContact O-C 3.41Å; E424-L575 WeakPolarHBondContact O-CA 3.43Å; E424-L575 VanDerWaalsContact O-CD2 3.29Å; E424-L575 WeakPolarHBondContact O-CD2 3.46Å; L560-L575 HydrophobicContact CD1-CD1 4.2Å; M563-L575 HydrophobicContact CB-CD1 4.37Å; M563-L575 HydrophobicContact CG-CD1 3.85Å; M563-L575 HydrophobicContact CG-CD2 3.88Å; M563-L575 HydrophobicContact CG-CG 4.47Å; M563-L575 HydrophobicContact SD-CD1 4.2Å; M563-L575 HydrophobicContact SD-CD2 3.71Å; I564-L575 HydrophobicContact CB-CD1 4.5Å; I564-L575 HydrophobicContact CG1-CD1 3.64Å; V567-L575 HydrophobicContact CG1-CD2 4.44Å; V567-L575 HydrophobicContact CG1-CG 4.43Å; V567-L575 HydrophobicContact CG2-CD2 3.88Å; V567-L575 HydrophobicContact CG2-CG 4.45Å; L575-L577 HydrophobicContact CB-CD2 3.89Å; L575-L577 HydrophobicContact CD1-CD2 4.23Å; L575-K593 CarbonylContact O-C 3.28Å; L575-K593 VanDerWaalsContact O-CA 3.26Å; L575-K593 WeakPolarHBondContact O-CA 3.4Å; L575-V594 HydrophobicContact CB-CB 4.37Å; L575-V594 PolarHBondContact N-O 2.87Å; L575-V594 PolarHBondContact O-N 2.91Å
576V97Very high90.5Very high24 Ų2438.9 Ų38.915%0.14520%0.204CC..EExtended strand (participates in β ladder)trans-112.4121.6162-176.60000108.2E424 K426 K578 W591 L592E424-V576 PolarHBondContact N-O 3.06Å; E424-V576 PolarHBondContact O-N 3.42Å; K426-V576 HydrophobicContact CB-CG2 4Å; K426-V576 HydrophobicContact CG-CG2 3.8Å; V576-K578 HydrophobicContact CG1-CG 4.18Å; V576-W591 HydrophobicContact CG1-CB 4.38Å; V576-W591 HydrophobicContact CG1-CE3 4.31Å; V576-L592 CarbonylContact C-O 3.56Å; V576-L592 WeakPolarHBondContact CA-O 3.33Å
577L96.9Very high90.6Very high0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans-106.9133.2178.8-35.9173.7000109A413 M421 Y422 S423 L560 L575 L592 V594A413-L577 HydrophobicContact CB-CD1 3.6Å; M421-L577 HydrophobicContact SD-CB 3.9Å; M421-L577 HydrophobicContact SD-CD1 3.8Å; M421-L577 HydrophobicContact SD-CD2 4.23Å; M421-L577 HydrophobicContact SD-CG 4.19Å; Y422-L577 WeakPolarHBondContact O-CA 3.41Å; S423-L577 WeakPolarHBondContact OG-CD2 3.15Å; L560-L577 HydrophobicContact CD1-CD1 4.14Å; L560-L577 HydrophobicContact CD1-CD2 3.75Å; L560-L577 HydrophobicContact CD2-CD1 4.04Å; L575-L577 HydrophobicContact CB-CD2 3.89Å; L575-L577 HydrophobicContact CD1-CD2 4.23Å; L577-L592 HydrophobicContact CB-CB 4.08Å; L577-L592 HydrophobicContact CD1-CB 4.43Å; L577-L592 HydrophobicContact CD1-CD1 4.37Å; L577-L592 HydrophobicContact CG-CB 4.4Å; L577-L592 PolarHBondContact N-O 3.21Å; L577-L592 PolarHBondContact O-N 2.83Å; L577-V594 HydrophobicContact CD1-CG2 3.69Å; L577-V594 HydrophobicContact CG-CG2 4.25Å
578K96.9Very high90.7Very high1 Ų139.3 Ų39.30%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-131.6126.7-176.5-49.5177.6-177.4161.80109.1M421 Y422 E424 F513 L528 V576 V580 W591M421-K578 CarbonylContact C-O 3.6Å; M421-K578 VanDerWaalsContact CA-O 3.25Å; M421-K578 WeakPolarHBondContact CA-O 3.21Å; M421-K578 WeakPolarHBondContact CB-O 3.45Å; Y422-K578 PolarHBondContact N-O 3.33Å; Y422-K578 PolarHBondContact O-N 3.39Å; E424-K578 VanDerWaalsContact OE1-CD 3.32Å; E424-K578 WeakPolarHBondContact OE1-CD 3.22Å; E424-K578 WeakPolarHBondContact OE1-CE 3.39Å; E424-K578 IonicContact OE1-NZ 2.7Å; E424-K578 PolarHBondContact OE1-NZ 3.11Å; E424-K578 IonicContact OE2-NZ 3.06Å; E424-K578 PolarHBondContact OE2-NZ 3.31Å; F513-K578 PolarHBondContact O-NZ 3.41Å; L528-K578 HydrophobicContact CD2-CB 3.26Å; L528-K578 HydrophobicContact CD2-CD 3.58Å; L528-K578 HydrophobicContact CD2-CG 4.05Å; V576-K578 HydrophobicContact CG1-CG 4.18Å; K578-V580 PolarHBondContact O-N 3.4Å; K578-W591 HydrophobicContact CB-CG 4.44Å; K578-W591 HydrophobicContact CD-CD2 4.12Å; K578-W591 HydrophobicContact CD-CG 4.47Å; K578-W591 HydrophobicContact CD-CZ2 4.06Å; K578-W591 HydrophobicContact CG-CB 4.47Å; K578-W591 HydrophobicContact CG-CD2 3.99Å; K578-W591 HydrophobicContact CG-CG 3.84Å
579D96.5Very high91.3Very high23 Ų2345.8 Ų45.812%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-61.5134.6175.6-179.7-77.3000110.3C417 N419 K581 G582C417-D579 VanDerWaalsContact CA-OD2 3.28Å; C417-D579 WeakPolarHBondContact CA-OD2 3.49Å; C417-D579 HydrophobicContact CB-CB 4.09Å; N419-D579 PolarHBondContact N-OD2 3.15Å; N419-D579 PolarHBondContact ND2-OD1 3.45Å; N419-D579 PolarHBondContact ND2-OD2 3.32Å; D579-K581 PolarHBondContact O-N 3.11Å; D579-K581 VanDerWaalsContact O-N 3.17Å; D579-K581 WeakPolarHBondContact OD1-CA 3.31Å; D579-K581 PolarHBondContact OD1-N 3.29Å; D579-G582 PolarHBondContact O-N 2.97Å; D579-G582 PolarHBondContact OD1-N 2.9Å
580V96.6Very high91.9Very high18 Ų1843.5 Ų43.511%0.10923%0.234CC..THydrogen-bonded Turntrans-57.5-32.1-174171.60000112.8G420 Y422 C529 K578G420-V580 WeakPolarHBondContact O-CG2 3.48Å; G420-V580 PolarHBondContact O-N 3.02Å; Y422-V580 HydrophobicContact CD2-CB 4.47Å; Y422-V580 HydrophobicContact CD2-CG2 3.97Å; Y422-V580 HydrophobicContact CE2-CB 4.13Å; Y422-V580 HydrophobicContact CE2-CG1 3.96Å; Y422-V580 HydrophobicContact CE2-CG2 3.88Å; Y422-V580 HydrophobicContact CG-CG2 4.45Å; C529-V580 HydrophobicContact CB-CG1 3.86Å; C529-V580 PolarHBondContact N-O 2.86Å; K578-V580 PolarHBondContact O-N 3.4Å
581K96.1Very high92.7Very high129 Ų12939.3 Ų39.356%0.56121%0.214SC*.THydrogen-bonded Turntrans-99.41.4-179.5-60.8-173.3-164.8150.40113.9N419 D579 S583N419-K581 HydrophobicContact CB-CB 4.49Å; N419-K581 HydrophobicContact CB-CD 4.16Å; N419-K581 HydrophobicContact CB-CG 4.02Å; N419-K581 VanDerWaalsContact OD1-CD 3.29Å; N419-K581 WeakPolarHBondContact OD1-CD 3.49Å; N419-K581 VanDerWaalsContact OD1-CE 3.28Å; N419-K581 WeakPolarHBondContact OD1-CE 3.3Å; N419-K581 PolarHBondContact OD1-NZ 2.91Å; D579-K581 PolarHBondContact O-N 3.11Å; D579-K581 VanDerWaalsContact O-N 3.17Å; D579-K581 WeakPolarHBondContact OD1-CA 3.31Å; D579-K581 PolarHBondContact OD1-N 3.29Å; K581-S583 PolarHBondContact O-N 3.21Å
582G94.9Very high93.6Very high26 Ų2636.2 Ų36.227%0.26818%0.182SC..  trans-64.7129.3179.600000112.7L528 D579L528-G582 WeakPolarHBondContact CB-O 3.38Å; L528-G582 PolarHBondContact N-O 3.22Å; D579-G582 PolarHBondContact O-N 2.97Å; D579-G582 PolarHBondContact OD1-N 2.9Å
583S95.8Very high94.2Very high30 Ų3036.2 Ų36.221%0.2118%0.18CC..  trans-74.4167.7168.354.30000111.4M402 M524 K581 E585M402-S583 WeakPolarHBondContact CE-O 3.36Å; M524-S583 WeakPolarHBondContact O-CB 3.46Å; K581-S583 PolarHBondContact O-N 3.21Å; S583-E585 PolarHBondContact O-N 2.91Å
584Y95.5Very high94.5Very high2 Ų234.6 Ų34.61%0.00817%0.172CC..  trans-80.1114.2171.6-163.3-88.4000109.7V399 P401 M402 D476 D514 I516 M524 P586 W591V399-Y584 HydrophobicContact CG1-CE1 4.28Å; P401-Y584 WeakPolarHBondContact CA-OH 3.45Å; M402-Y584 HydrophobicContact CB-CD2 4.21Å; M402-Y584 HydrophobicContact CB-CE1 4.06Å; M402-Y584 HydrophobicContact CB-CE2 3.76Å; M402-Y584 PolarHBondContact N-OH 3.48Å; M402-Y584 HydrophobicContact SD-CD2 4.19Å; M402-Y584 HydrophobicContact SD-CG 4.39Å; D476-Y584 WeakPolarHBondContact OD2-CE2 3.48Å; D476-Y584 PolarHBondContact OD2-OH 3.4Å; D514-Y584 WeakPolarHBondContact OD2-CD2 2.98Å; I516-Y584 HydrophobicContact CD1-CD1 4.49Å; I516-Y584 HydrophobicContact CD1-CE1 3.83Å; I516-Y584 HydrophobicContact CD1-CE2 3.84Å; I516-Y584 VanDerWaalsContact CD1-CZ 3.45Å; I516-Y584 WeakPolarHBondContact CD1-OH 3.37Å; I516-Y584 HydrophobicContact CG1-CD1 4.42Å; I516-Y584 HydrophobicContact CG1-CD2 4.15Å; I516-Y584 HydrophobicContact CG1-CE1 4.24Å; I516-Y584 HydrophobicContact CG1-CE2 3.91Å; I516-Y584 HydrophobicContact CG1-CG 4.39Å; M524-Y584 HydrophobicContact CG-CD1 4.25Å; M524-Y584 PolarHBondContact O-N 3.04Å; M524-Y584 HydrophobicContact SD-CD1 4.32Å; Y584-P586 HydrophobicContact CD1-CG 4.03Å; Y584-P586 HydrophobicContact CE1-CG 4.16Å; Y584-P586 WeakPolarHBondContact O-CD 3.37Å; Y584-W591 HydrophobicContact CD2-CZ2 4.42Å; Y584-W591 HydrophobicContact CE2-CH2 4.24Å; Y584-W591 HydrophobicContact CE2-CZ2 4.31Å
585E92.8Very high94.3Very high45 Ų4535.3 Ų35.321%0.2118%0.175CC..  trans-114.596.2-177.5-68-175.583.400111.3M402 S583 G587 K588 H590M402-E585 HydrophobicContact CE-CB 4.3Å; M402-E585 PolarHBondContact SD-N 2.7Å; M402-E585 VanDerWaalsContact SD-N 3.39Å; S583-E585 PolarHBondContact O-N 2.91Å; E585-G587 PolarHBondContact O-N 2.83Å; E585-K588 HydrophobicContact CB-CB 3.97Å; E585-K588 HydrophobicContact CB-CD 3.85Å; E585-K588 HydrophobicContact CB-CG 4.01Å; E585-K588 HydrophobicContact CG-CD 4.42Å; E585-K588 PolarHBondContact O-N 2.87Å; E585-K588 VanDerWaalsContact OE1-CD 3.26Å; E585-K588 WeakPolarHBondContact OE1-CD 3.46Å; E585-K588 WeakPolarHBondContact OE1-CE 3.29Å; E585-K588 IonicContact OE1-NZ 2.65Å; E585-K588 PolarHBondContact OE1-NZ 2.88Å; E585-H590 IonicContact OE1-CE1 2.65Å; E585-H590 IonicContact OE1-ND1 3.76Å; E585-H590 IonicContact OE2-CE1 3.84Å; E585-H590 PolarHBondContact OE2-CE1 2.75Å; E585-H590 IonicContact OE2-CG 3.01Å; E585-H590 IonicContact OE2-ND1 3.24Å; E585-H590 PolarHBondContact OE2-ND1 3.11Å
586P92.8Very high93.6Very high13 Ų1337.5 Ų37.58%0.08418%0.184CC..THydrogen-bonded Turntrans-52123.8-172.5-31.937.3000114K360 V399 Q400 M524 Y584 K588K360-P586 HydrophobicContact CB-CB 3.91Å; K360-P586 WeakPolarHBondContact CD-O 3.47Å; K360-P586 PolarHBondContact NZ-O 3.1Å; K360-P586 WeakPolarHBondContact O-CB 3.44Å; V399-P586 HydrophobicContact CG1-CB 4.08Å; V399-P586 HydrophobicContact CG1-CG 3.77Å; Q400-P586 HydrophobicContact CB-CB 4.23Å; Q400-P586 CarbonylContact O-C 3.58Å; Q400-P586 WeakPolarHBondContact O-CA 3.47Å; Q400-P586 WeakPolarHBondContact O-CB 3.42Å; M524-P586 HydrophobicContact SD-CG 3.75Å; Y584-P586 HydrophobicContact CD1-CG 4.03Å; Y584-P586 HydrophobicContact CE1-CG 4.16Å; Y584-P586 WeakPolarHBondContact O-CD 3.37Å; P586-K588 PolarHBondContact O-N 2.66Å
587G90.3Very high92.4Very high21 Ų2137.8 Ų37.822%0.21619%0.185CC..THydrogen-bonded Turntrans69.1-1.9-179.700000117.1Q400 P401 E585Q400-G587 PolarHBondContact O-N 2.89Å; P401-G587 WeakPolarHBondContact O-CA 3.26Å; P401-G587 PolarHBondContact O-N 2.65Å; E585-G587 PolarHBondContact O-N 2.83Å
588K91.6Very high91.4Very high72 Ų7239.6 Ų39.631%0.31319%0.192SC..  trans-80.2158.7175.3-57.8-166.4-158.11670111L403 E585 P586L403-K588 WeakPolarHBondContact CA-O 3.28Å; L403-K588 WeakPolarHBondContact CB-O 3.46Å; L403-K588 PolarHBondContact N-O 2.94Å; E585-K588 HydrophobicContact CB-CB 3.97Å; E585-K588 HydrophobicContact CB-CD 3.85Å; E585-K588 HydrophobicContact CB-CG 4.01Å; E585-K588 HydrophobicContact CG-CD 4.42Å; E585-K588 PolarHBondContact O-N 2.87Å; E585-K588 VanDerWaalsContact OE1-CD 3.26Å; E585-K588 WeakPolarHBondContact OE1-CD 3.46Å; E585-K588 WeakPolarHBondContact OE1-CE 3.29Å; E585-K588 IonicContact OE1-NZ 2.65Å; E585-K588 PolarHBondContact OE1-NZ 2.88Å; P586-K588 PolarHBondContact O-N 2.66Å
589R93.1Very high90.4Very high146 Ų14639.7 Ų39.755%0.55119%0.192SC*.EExtended strand (participates in β ladder)trans-107.560.9-175.8-69.8176.4179-92.48.4111.4L403 A404L403-R589 HydrophobicContact CB-CB 4.49Å; L403-R589 HydrophobicContact CB-CG 3.73Å; L403-R589 HydrophobicContact CD1-CG 4.14Å; L403-R589 CarbonylContact O-C 3.56Å; L403-R589 WeakPolarHBondContact O-CA 3.49Å; A404-R589 PolarHBondContact O-NH1 3.36Å
590H93.8Very high89.1Confident104 Ų10443.2 Ų43.248%0.48121%0.211SC..EExtended strand (participates in β ladder)trans-107-13.4-174.6-61.7168.8000114.2M402 L403 E585M402-H590 HydrophobicContact CE-CB 3.93Å; L403-H590 PolarHBondContact O-N 2.82Å; E585-H590 IonicContact OE1-CE1 2.65Å; E585-H590 IonicContact OE1-ND1 3.76Å; E585-H590 IonicContact OE2-CE1 3.84Å; E585-H590 PolarHBondContact OE2-CE1 2.75Å; E585-H590 IonicContact OE2-CG 3.01Å; E585-H590 IonicContact OE2-ND1 3.24Å; E585-H590 PolarHBondContact OE2-ND1 3.11Å
591W97.1Very high87.6Confident14 Ų1450.6 Ų50.65%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-73.2162.6160.3-61.8-16.9000109.7M402 L403 A404 E405 F513 V576 K578 Y584M402-W591 HydrophobicContact CB-CH2 4.28Å; M402-W591 HydrophobicContact CB-CZ2 4.21Å; M402-W591 HydrophobicContact CE-CG 4.43Å; M402-W591 HydrophobicContact CG-CD2 4.19Å; M402-W591 HydrophobicContact CG-CZ2 4.23Å; M402-W591 HydrophobicContact SD-CD2 4.3Å; M402-W591 VanDerWaalsContact SD-CE2 3.55Å; M402-W591 HydrophobicContact SD-CZ2 3.8Å; M402-W591 PolarHBondContact SD-NE1 2.92Å; M402-W591 VanDerWaalsContact SD-NE1 3.38Å; L403-W591 PolarHBondContact O-N 3.33Å; A404-W591 CarbonylContact C-O 3.59Å; A404-W591 VanDerWaalsContact CA-O 3.25Å; A404-W591 WeakPolarHBondContact CA-O 3.43Å; A404-W591 HydrophobicContact CB-CB 4.17Å; E405-W591 PolarHBondContact N-O 3.13Å; F513-W591 HydrophobicContact CD2-CH2 4.2Å; F513-W591 HydrophobicContact CD2-CZ3 4.45Å; F513-W591 AromaticContact CE2-CH2 3.89Å; F513-W591 HydrophobicContact CE2-CH2 3.89Å; F513-W591 AromaticContact CE2-CZ3 3.95Å; F513-W591 HydrophobicContact CE2-CZ3 3.95Å; V576-W591 HydrophobicContact CG1-CB 4.38Å; V576-W591 HydrophobicContact CG1-CE3 4.31Å; K578-W591 HydrophobicContact CB-CG 4.44Å; K578-W591 HydrophobicContact CD-CD2 4.12Å; K578-W591 HydrophobicContact CD-CG 4.47Å; K578-W591 HydrophobicContact CD-CZ2 4.06Å; K578-W591 HydrophobicContact CG-CB 4.47Å; K578-W591 HydrophobicContact CG-CD2 3.99Å; K578-W591 HydrophobicContact CG-CG 3.84Å; Y584-W591 HydrophobicContact CD2-CZ2 4.42Å; Y584-W591 HydrophobicContact CE2-CH2 4.24Å; Y584-W591 HydrophobicContact CE2-CZ2 4.31Å
592L96.3Very high85.9Confident3 Ų345.4 Ų45.42%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-113.6151.9173.2-57.4176.9000109.6E405 C407 Y412 A413 K416 V576 L577E405-L592 HydrophobicContact CB-CD2 4.14Å; E405-L592 CarbonylContact O-C 3.5Å; C407-L592 HydrophobicContact CB-CB 4.12Å; Y412-L592 HydrophobicContact CE1-CD2 4.47Å; A413-L592 HydrophobicContact CB-CD1 3.93Å; K416-L592 HydrophobicContact CB-CD1 3.96Å; K416-L592 HydrophobicContact CB-CD2 4.43Å; K416-L592 HydrophobicContact CG-CD2 4.38Å; V576-L592 CarbonylContact C-O 3.56Å; V576-L592 WeakPolarHBondContact CA-O 3.33Å; L577-L592 HydrophobicContact CB-CB 4.08Å; L577-L592 HydrophobicContact CD1-CB 4.43Å; L577-L592 HydrophobicContact CD1-CD1 4.37Å; L577-L592 HydrophobicContact CG-CB 4.4Å; L577-L592 PolarHBondContact N-O 3.21Å; L577-L592 PolarHBondContact O-N 2.83Å
593K94.4Very high84.2Confident49 Ų4948.4 Ų48.421%0.21325%0.25CS..EExtended strand (participates in β ladder)trans-124.3127.7165.150.8156-168.7157.80110.1A404 E405 C407 L575 Y598A404-K593 HydrophobicContact CB-CB 3.95Å; A404-K593 HydrophobicContact CB-CG 3.8Å; E405-K593 WeakPolarHBondContact O-CG 3.39Å; E405-K593 PolarHBondContact O-N 3.37Å; C407-K593 WeakPolarHBondContact CB-O 3.16Å; C407-K593 PolarHBondContact N-O 3.31Å; L575-K593 CarbonylContact O-C 3.28Å; L575-K593 VanDerWaalsContact O-CA 3.26Å; L575-K593 WeakPolarHBondContact O-CA 3.4Å; K593-Y598 HydrophobicContact CD-CE2 3.9Å; K593-Y598 HydrophobicContact CG-CE2 4.42Å; K593-Y598 VanDerWaalsContact NZ-CE2 3.3Å; K593-Y598 VanDerWaalsContact NZ-CZ 3.26Å; K593-Y598 PolarHBondContact NZ-OH 2.99Å
594V91.3Very high82.6Confident4 Ų448.6 Ų48.62%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-101.7142171.2179.10000108.3C407 I564 G574 L575 L577 L599C407-V594 HydrophobicContact CB-CG2 3.87Å; I564-V594 HydrophobicContact CD1-CG1 3.94Å; I564-V594 HydrophobicContact CG1-CG1 4Å; I564-V594 HydrophobicContact CG2-CG1 4.4Å; G574-V594 WeakPolarHBondContact CA-O 3.5Å; L575-V594 HydrophobicContact CB-CB 4.37Å; L575-V594 PolarHBondContact N-O 2.87Å; L575-V594 PolarHBondContact O-N 2.91Å; L577-V594 HydrophobicContact CD1-CG2 3.69Å; L577-V594 HydrophobicContact CG-CG2 4.25Å; V594-L599 HydrophobicContact CG1-CD1 3.97Å; V594-L599 HydrophobicContact CG1-CD2 3.91Å; V594-L599 HydrophobicContact CG1-CG 4.05Å
595K86.3Confident81.4Confident16 Ų1649.1 Ų49.17%0.0725%0.253CS..  trans-149.8159.7175.9-70.8-157.1158.7-150.70110.9E573 D597 Y598 L599E573-K595 VanDerWaalsContact CG-NZ 3.33Å; E573-K595 WeakPolarHBondContact O-CE 3.29Å; E573-K595 WeakPolarHBondContact O-CG 3.33Å; E573-K595 WeakPolarHBondContact OE1-CE 3.22Å; E573-K595 IonicContact OE1-NZ 2.67Å; E573-K595 PolarHBondContact OE1-NZ 3.21Å; K595-D597 WeakPolarHBondContact CB-OD1 3.33Å; K595-D597 WeakPolarHBondContact CD-OD1 3.45Å; K595-D597 PolarHBondContact O-N 3.23Å; K595-Y598 HydrophobicContact CB-CD2 3.82Å; K595-Y598 HydrophobicContact CB-CE2 3.88Å; K595-Y598 HydrophobicContact CB-CG 4.37Å; K595-Y598 HydrophobicContact CD-CE2 3.85Å; K595-Y598 HydrophobicContact CG-CD2 4.1Å; K595-Y598 HydrophobicContact CG-CE2 3.7Å; K595-Y598 PolarHBondContact O-N 2.84Å; K595-Y598 VanDerWaalsContact O-N 3.11Å; K595-L599 WeakPolarHBondContact O-CG 3.28Å; K595-L599 PolarHBondContact O-N 3.33Å
596K78.9Confident80.8Confident47 Ų4747.9 Ų47.920%0.20425%0.248CC..G310 helixtrans-48-45.3167-159.9-163.1-175.4-167.40111.8I568 Y598 M604 D606I568-K596 HydrophobicContact CD1-CB 4.23Å; I568-K596 HydrophobicContact CG2-CB 4.46Å; I568-K596 HydrophobicContact CG2-CD 4.49Å; I568-K596 HydrophobicContact CG2-CG 4.34Å; K596-Y598 VanDerWaalsContact C-N 3.27Å; K596-Y598 PolarHBondContact O-N 2.99Å; K596-M604 WeakPolarHBondContact CD-O 3.37Å; K596-M604 WeakPolarHBondContact CE-O 3.42Å; K596-M604 HydrophobicContact CG-CB 4.18Å; K596-M604 WeakPolarHBondContact CG-O 3.33Å; K596-D606 IonicContact NZ-OD1 2.72Å; K596-D606 PolarHBondContact NZ-OD1 3.33Å
597D73.3Confident80.5Confident30 Ų3049.8 Ų49.816%0.1626%0.259CS..G310 helixtrans-73.5-2.8-177.969.5-49.1000116K595 A605K595-D597 WeakPolarHBondContact CB-OD1 3.33Å; K595-D597 WeakPolarHBondContact CD-OD1 3.45Å; K595-D597 PolarHBondContact O-N 3.23Å; D597-A605 HydrophobicContact CB-CB 4.16Å
598Y76.3Confident80.7Confident39 Ų3948.9 Ų48.915%0.15325%0.249CC..G310 helixtrans-113.2-18.8177.8-54.8-30.8000114.6A406 C407 K408 K593 K595 K596A406-Y598 HydrophobicContact CB-CD2 3.98Å; A406-Y598 HydrophobicContact CB-CE2 4.09Å; A406-Y598 HydrophobicContact CB-CG 4.29Å; C407-Y598 WeakPolarHBondContact O-CB 3.34Å; K408-Y598 WeakPolarHBondContact CA-O 3.49Å; K593-Y598 HydrophobicContact CD-CE2 3.9Å; K593-Y598 HydrophobicContact CG-CE2 4.42Å; K593-Y598 VanDerWaalsContact NZ-CE2 3.3Å; K593-Y598 VanDerWaalsContact NZ-CZ 3.26Å; K593-Y598 PolarHBondContact NZ-OH 2.99Å; K595-Y598 HydrophobicContact CB-CD2 3.82Å; K595-Y598 HydrophobicContact CB-CE2 3.88Å; K595-Y598 HydrophobicContact CB-CG 4.37Å; K595-Y598 HydrophobicContact CD-CE2 3.85Å; K595-Y598 HydrophobicContact CG-CD2 4.1Å; K595-Y598 HydrophobicContact CG-CE2 3.7Å; K595-Y598 PolarHBondContact O-N 2.84Å; K595-Y598 VanDerWaalsContact O-N 3.11Å; K596-Y598 VanDerWaalsContact C-N 3.27Å; K596-Y598 PolarHBondContact O-N 2.99Å
599L74.6Confident80.9Confident2 Ų246.2 Ų46.21%0.0124%0.238CC..G310 helixtrans-76145.3-176-68169.8000111.4I564 I568 V594 K595 E601 G602 M604I564-L599 HydrophobicContact CG2-CD1 3.59Å; I568-L599 HydrophobicContact CD1-CD1 4.41Å; V594-L599 HydrophobicContact CG1-CD1 3.97Å; V594-L599 HydrophobicContact CG1-CD2 3.91Å; V594-L599 HydrophobicContact CG1-CG 4.05Å; K595-L599 WeakPolarHBondContact O-CG 3.28Å; K595-L599 PolarHBondContact O-N 3.33Å; L599-E601 VanDerWaalsContact C-N 3.29Å; L599-E601 PolarHBondContact O-N 3.06Å; L599-G602 PolarHBondContact O-N 3.08Å; L599-M604 HydrophobicContact CB-CE 3.99Å; L599-M604 HydrophobicContact CB-SD 3.72Å; L599-M604 HydrophobicContact CD1-SD 4.14Å
600N69.3Low81.1Confident98 Ų9839.2 Ų39.252%0.52421%0.212SC..G310 helixtrans47.751.2-179.6-62.29.4000112.1G602 A603 M604N600-G602 PolarHBondContact O-N 3.34Å; N600-A603 HydrophobicContact CB-CB 4.32Å; N600-A603 WeakPolarHBondContact O-CB 3.38Å; N600-A603 PolarHBondContact O-N 2.88Å; N600-M604 HydrophobicContact CB-CE 4.31Å; N600-M604 WeakPolarHBondContact ND2-CE 3.28Å
601E64.7Low81.3Confident173 Ų17334.3 Ų34.381%0.80819%0.19SC*.G310 helixtrans60.79.5-178.6-49.2-148110.900116.2L599L599-E601 VanDerWaalsContact C-N 3.29Å; L599-E601 PolarHBondContact O-N 3.06Å
602G60.4Low81.3Confident19 Ų1933.7 Ų33.720%0.19619%0.187CC..G310 helixtrans101.24.3-173.100000113.7L599 N600 M604 A605L599-G602 PolarHBondContact O-N 3.08Å; N600-G602 PolarHBondContact O-N 3.34Å; G602-M604 PolarHBondContact O-N 3.05Å; G602-M604 VanDerWaalsContact O-N 3.12Å; G602-A605 WeakPolarHBondContact O-CB 3.4Å; G602-A605 PolarHBondContact O-N 2.86Å
603A60.3Low81.3Confident90 Ų9033.6 Ų33.674%0.74419%0.187SC*.THydrogen-bonded Turntrans-63.9-13.3175.500000114.1N600N600-A603 HydrophobicContact CB-CB 4.32Å; N600-A603 WeakPolarHBondContact O-CB 3.38Å; N600-A603 PolarHBondContact O-N 2.88Å
604M62.2Low81.4Confident34 Ų3431.2 Ų31.217%0.16718%0.176CC..THydrogen-bonded Turntrans-94-3.2170.5-59.1-174.7-165.300113.5K596 L599 N600 G602 F756 V758K596-M604 WeakPolarHBondContact CD-O 3.37Å; K596-M604 WeakPolarHBondContact CE-O 3.42Å; K596-M604 HydrophobicContact CG-CB 4.18Å; K596-M604 WeakPolarHBondContact CG-O 3.33Å; L599-M604 HydrophobicContact CB-CE 3.99Å; L599-M604 HydrophobicContact CB-SD 3.72Å; L599-M604 HydrophobicContact CD1-SD 4.14Å; N600-M604 HydrophobicContact CB-CE 4.31Å; N600-M604 WeakPolarHBondContact ND2-CE 3.28Å; G602-M604 PolarHBondContact O-N 3.05Å; G602-M604 VanDerWaalsContact O-N 3.12Å; M604-F756 HydrophobicContact SD-CD2 4.03Å; M604-F756 HydrophobicContact SD-CE2 3.86Å; M604-V758 HydrophobicContact CE-CG2 4.33Å
605A69.9Low81.5Confident13 Ų1331.1 Ų31.111%0.10718%0.176CC..SBendtrans-77155.3-176.500000112.3D597 G602 T607 T703D597-A605 HydrophobicContact CB-CB 4.16Å; G602-A605 WeakPolarHBondContact O-CB 3.4Å; G602-A605 PolarHBondContact O-N 2.86Å; A605-T607 PolarHBondContact O-N 2.94Å; A605-T703 HydrophobicContact CB-CG2 3.41Å; A605-T703 VanDerWaalsContact CB-CG2 3.41Å
606D79.6Confident81.9Confident19 Ų1930.9 Ų30.910%0.10218%0.175CC..EExtended strand (participates in β ladder)trans-77.8121.7175.9-71.616.3000109.4K596 G704 F707 S750K596-D606 IonicContact NZ-OD1 2.72Å; K596-D606 PolarHBondContact NZ-OD1 3.33Å; D606-G704 PolarHBondContact O-N 3.15Å; D606-F707 HydrophobicContact CB-CD2 4Å; D606-F707 HydrophobicContact CB-CE2 3.78Å; D606-S750 WeakPolarHBondContact OD2-CB 3.29Å; D606-S750 PolarHBondContact OD2-OG 2.89Å
607T88Confident82.4Confident52 Ų5230.9 Ų30.932%0.31917%0.174SC..EExtended strand (participates in β ladder)trans-125.3154.5-176.671.10000112.7A605 I702 T703A605-T607 PolarHBondContact O-N 2.94Å; T607-I702 WeakPolarHBondContact CA-O 3.39Å; T607-T703 HydrophobicContact CG2-CG2 4.11Å; T607-T703 VanDerWaalsContact CG2-OG1 3.29Å; T607-T703 WeakPolarHBondContact CG2-OG1 3.38Å
608A93.7Very high83Confident2 Ų229.8 Ų29.82%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-143.3140169.400000110.5L610 I702 F707 I720 T738 L743A608-L610 HydrophobicContact CB-CD1 4.49Å; A608-L610 HydrophobicContact CB-CD2 4.13Å; A608-L610 HydrophobicContact CB-CG 4.05Å; A608-L610 PolarHBondContact O-N 3.27Å; A608-I702 PolarHBondContact N-O 3.31Å; A608-I702 PolarHBondContact O-N 3.08Å; A608-F707 HydrophobicContact CB-CE1 4.18Å; A608-F707 HydrophobicContact CB-CZ 4.19Å; A608-I720 HydrophobicContact CB-CD1 4.28Å; A608-T738 HydrophobicContact CB-CG2 4.5Å; A608-L743 HydrophobicContact CB-CD1 4.48Å
609D96.1Very high83Confident16 Ų1634.8 Ų34.89%0.08619%0.192CC..EExtended strand (participates in β ladder)trans-86.7102174.8-71.2-43.5000108.6V699 R729 K732 T738D609-V699 HydrophobicContact CB-CG1 3.93Å; D609-R729 WeakPolarHBondContact OD1-CG 3.42Å; D609-R729 IonicContact OD1-CZ 3.78Å; D609-R729 IonicContact OD1-NH1 3.95Å; D609-R729 PolarHBondContact OD1-NH1 3.3Å; D609-R729 IonicContact OD2-CZ 3.2Å; D609-R729 IonicContact OD2-NH1 2.75Å; D609-R729 PolarHBondContact OD2-NH1 2.94Å; D609-K732 HydrophobicContact CB-CD 4.16Å; D609-K732 WeakPolarHBondContact OD2-CD 3.41Å; D609-K732 VanDerWaalsContact OD2-CE 3.3Å; D609-K732 WeakPolarHBondContact OD2-CE 3.36Å; D609-K732 IonicContact OD2-NZ 2.72Å; D609-K732 PolarHBondContact OD2-NZ 3.28Å; D609-T738 PolarHBondContact N-OG1 3.4Å; D609-T738 VanDerWaalsContact N-OG1 3.08Å; D609-T738 WeakPolarHBondContact O-CB 3.46Å; D609-T738 PolarHBondContact O-N 3.15Å; D609-T738 PolarHBondContact O-OG1 2.76Å
610L97.3Very high83.1Confident0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-112.8147.6-172.3-62-179.9000112.1A608 M631 C633 V644 T645 W700 I702 I720A608-L610 HydrophobicContact CB-CD1 4.49Å; A608-L610 HydrophobicContact CB-CD2 4.13Å; A608-L610 HydrophobicContact CB-CG 4.05Å; A608-L610 PolarHBondContact O-N 3.27Å; L610-M631 HydrophobicContact CB-CB 4.04Å; L610-M631 HydrophobicContact CB-CE 4.02Å; L610-M631 HydrophobicContact CD1-CB 3.93Å; L610-M631 WeakPolarHBondContact O-CE 3.26Å; L610-C633 HydrophobicContact CD2-CB 4.27Å; L610-V644 HydrophobicContact CD1-CB 3.95Å; L610-V644 HydrophobicContact CD1-CG1 3.81Å; L610-V644 HydrophobicContact CD2-CB 4.45Å; L610-V644 HydrophobicContact CD2-CG2 4.13Å; L610-T645 HydrophobicContact CD1-CG2 4.3Å; L610-W700 PolarHBondContact N-O 3.05Å; L610-W700 PolarHBondContact O-N 2.81Å; L610-I702 HydrophobicContact CB-CG1 4.12Å; L610-I702 HydrophobicContact CD1-CB 4.22Å; L610-I702 HydrophobicContact CD1-CG1 4.06Å; L610-I702 HydrophobicContact CG-CG1 4.35Å; L610-I720 HydrophobicContact CD1-CD1 3.87Å
611V97.6Very high83.3Confident1 Ų137 Ų371%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-86.9139.3-179.9-175.90000110L613 G632 W641 A697 V699 A737V611-L613 HydrophobicContact CB-CD2 4.43Å; V611-L613 HydrophobicContact CG1-CD2 4.17Å; V611-L613 PolarHBondContact O-N 2.73Å; V611-G632 PolarHBondContact N-O 2.96Å; V611-G632 PolarHBondContact O-N 2.9Å; V611-W641 HydrophobicContact CB-CE3 4.49Å; V611-W641 HydrophobicContact CB-CH2 4.31Å; V611-W641 HydrophobicContact CB-CZ3 3.79Å; V611-W641 HydrophobicContact CG1-CH2 4.32Å; V611-W641 HydrophobicContact CG1-CZ3 4.15Å; V611-W641 HydrophobicContact CG2-CH2 3.86Å; V611-W641 HydrophobicContact CG2-CZ3 3.6Å; V611-A697 HydrophobicContact CG1-CB 3.5Å; V611-V699 HydrophobicContact CG2-CG2 4.44Å; V611-A737 HydrophobicContact CG2-CB 3.73Å
612V96.8Very high84Confident1 Ų130.8 Ų30.81%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-72120.3170.7-178.60000109.4F629 M631 I691 A697 P698 W700V612-F629 HydrophobicContact CG1-CD1 4.38Å; V612-M631 HydrophobicContact CG2-CE 3.84Å; V612-M631 HydrophobicContact CG2-SD 4.11Å; V612-I691 HydrophobicContact CG1-CD1 4.23Å; V612-I691 HydrophobicContact CG1-CG1 4.07Å; V612-A697 VanDerWaalsContact O-CB 3.26Å; V612-A697 WeakPolarHBondContact O-CB 3.45Å; V612-P698 HydrophobicContact CB-CG 4.35Å; V612-P698 HydrophobicContact CG2-CG 4Å; V612-P698 PolarHBondContact N-O 2.92Å; V612-W700 HydrophobicContact CG2-CD2 3.39Å; V612-W700 HydrophobicContact CG2-CE3 3.33Å; V612-W700 HydrophobicContact CG2-CG 4.13Å; V612-W700 HydrophobicContact CG2-CH2 3.73Å; V612-W700 HydrophobicContact CG2-CZ2 3.73Å; V612-W700 HydrophobicContact CG2-CZ3 3.54Å
613L96.8Very high85.1Confident0 Ų030.6 Ų30.60%019%0.192CC..EExtended strand (participates in β ladder)trans-105-22.2178.8-57.6-178.5000112.8V611 L630 W641 W678 L679 I690 I691 P694V611-L613 HydrophobicContact CB-CD2 4.43Å; V611-L613 HydrophobicContact CG1-CD2 4.17Å; V611-L613 PolarHBondContact O-N 2.73Å; L613-L630 HydrophobicContact CB-CD2 4.47Å; L613-L630 PolarHBondContact N-O 3.11Å; L613-W641 HydrophobicContact CD1-CB 4.01Å; L613-W641 HydrophobicContact CD2-CB 4.11Å; L613-W641 HydrophobicContact CD2-CD2 3.9Å; L613-W641 HydrophobicContact CD2-CE3 3.74Å; L613-W641 HydrophobicContact CD2-CG 4.07Å; L613-W678 HydrophobicContact CD2-CZ3 4.35Å; L613-L679 HydrophobicContact CD1-CD1 3.82Å; L613-I690 WeakPolarHBondContact O-CG1 3.43Å; L613-I691 PolarHBondContact O-N 3.48Å; L613-P694 HydrophobicContact CD2-CB 4.1Å
614G95.7Very high86.1Confident0 Ų027.6 Ų27.60%017%0.169CC..EExtended strand (participates in β ladder)trans178.7-176.618000000113.1F629 L630 F689G614-F629 WeakPolarHBondContact O-CA 3.32Å; G614-L630 PolarHBondContact O-N 2.78Å; G614-F689 CarbonylContact C-O 3.2Å; G614-F689 WeakPolarHBondContact CA-O 3.44Å
615A95.2Very high87.5Confident1 Ų128.8 Ų28.81%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-143.8161.3-175.100000113.9M626 S628 F629 P687 D688 F689A615-M626 HydrophobicContact CB-CB 3.9Å; A615-M626 HydrophobicContact CB-CG 3.85Å; A615-M626 HydrophobicContact CB-SD 3.64Å; A615-S628 CarbonylContact C-O 3.57Å; A615-S628 WeakPolarHBondContact CA-O 3.24Å; A615-F629 HydrophobicContact CB-CD1 3.71Å; A615-F629 HydrophobicContact CB-CE1 3.88Å; A615-P687 WeakPolarHBondContact O-CB 3.4Å; A615-D688 PolarHBondContact O-N 2.86Å; A615-F689 HydrophobicContact CB-CB 4.22Å; A615-F689 HydrophobicContact CB-CD2 4.46Å; A615-F689 PolarHBondContact N-O 3.15Å; A615-F689 PolarHBondContact O-N 2.7Å
616F92.9Very high88.5Confident11 Ų1128.7 Ų28.75%0.04817%0.173CC..EExtended strand (participates in β ladder)trans-122.6145.8177.7-54-97.3000110.4M626 S627 S628 L630 K646 Y685 P687 D688F616-M626 WeakPolarHBondContact O-CA 3.44Å; F616-S627 PolarHBondContact O-N 2.94Å; F616-S627 VanDerWaalsContact O-N 3.13Å; F616-S628 PolarHBondContact N-O 2.88Å; F616-L630 HydrophobicContact CE2-CB 4.08Å; F616-K646 HydrophobicContact CD2-CD 3.87Å; F616-K646 HydrophobicContact CD2-CG 4.32Å; F616-K646 VanDerWaalsContact CD2-NZ 3.32Å; F616-K646 HydrophobicContact CE2-CD 3.62Å; F616-K646 HydrophobicContact CE2-CG 3.97Å; F616-K646 HydrophobicContact CZ-CD 4.12Å; F616-Y685 WeakPolarHBondContact CZ-O 3.33Å; F616-P687 HydrophobicContact CD1-CB 4.4Å; F616-P687 HydrophobicContact CE1-CB 4.09Å; F616-P687 HydrophobicContact CE2-CB 4.47Å; F616-P687 HydrophobicContact CZ-CB 4.12Å; F616-D688 VanDerWaalsContact CA-OD2 3.28Å; F616-D688 WeakPolarHBondContact CA-OD2 3.44Å
617Y90.3Very high89Confident47 Ų4728.5 Ų28.518%0.18417%0.173CC..EExtended strand (participates in β ladder)trans-60.8142166.8-75.9-66.4000110.8E264 G624 I625 K667 D688 F689E264-Y617 HydrophobicContact CB-CD2 4.12Å; E264-Y617 HydrophobicContact CB-CE2 3.96Å; E264-Y617 HydrophobicContact CB-CG 4.49Å; E264-Y617 HydrophobicContact CG-CD2 4.11Å; E264-Y617 HydrophobicContact CG-CE2 3.89Å; E264-Y617 WeakPolarHBondContact OE1-CE2 2.94Å; Y617-G624 WeakPolarHBondContact CE1-O 3.48Å; Y617-I625 WeakPolarHBondContact CA-O 3Å; Y617-K667 PolarHBondContact OH-NZ 2.59Å; Y617-D688 HydrophobicContact CD2-CB 3.76Å; Y617-D688 HydrophobicContact CE2-CB 4.15Å; Y617-D688 PolarHBondContact N-OD2 3.35Å; Y617-F689 HydrophobicContact CD1-CE2 4.02Å; Y617-F689 HydrophobicContact CD1-CZ 4.46Å; Y617-F689 HydrophobicContact CD2-CE2 4.12Å; Y617-F689 AromaticContact CE1-CE2 3.72Å; Y617-F689 HydrophobicContact CE1-CE2 3.72Å; Y617-F689 AromaticContact CE1-CZ 3.71Å; Y617-F689 HydrophobicContact CE1-CZ 3.71Å; Y617-F689 AromaticContact CE2-CE2 3.82Å; Y617-F689 HydrophobicContact CE2-CE2 3.82Å; Y617-F689 AromaticContact CE2-CZ 4Å; Y617-F689 HydrophobicContact CE2-CZ 4Å; Y617-F689 HydrophobicContact CG-CE2 4.22Å; Y617-F689 AromaticContact CZ-CE2 3.63Å; Y617-F689 AromaticContact CZ-CZ 3.45Å; Y617-F689 VanDerWaalsContact CZ-CZ 3.45Å; Y617-F689 WeakPolarHBondContact OH-CZ 3.34Å
618G85.3Confident89.3Confident8 Ų826.6 Ų26.68%0.08216%0.162CC..  trans-80.9-167.5171.600000114N622 I625 S627G618-N622 CarbonylContact C-O 3.37Å; G618-N622 WeakPolarHBondContact CA-O 3.4Å; G618-N622 PolarHBondContact N-O 3.03Å; G618-I625 PolarHBondContact N-O 3.36Å; G618-S627 WeakPolarHBondContact CA-OG 3.4Å; G618-S627 PolarHBondContact N-OG 3.07Å
619K76.6Confident89.4Confident143 Ų14326.5 Ų26.562%0.62216%0.161SC*.  trans-143.1159.5178.8-64.6-166.1174.3-166.10110.2D241 S621 N622D241-K619 IonicContact OD2-NZ 2.7Å; D241-K619 PolarHBondContact OD2-NZ 3.26Å; K619-S621 PolarHBondContact O-N 3.11Å; K619-N622 PolarHBondContact O-N 3.1Å
620G76.6Confident89.4Confident33 Ų3325.8 Ų25.834%0.3416%0.157SC..G310 helixtrans71.3-119.3176.800000111.2G266 N622G266-G620 PolarHBondContact O-N 3.35Å; G620-N622 VanDerWaalsContact C-N 3.28Å
621S72.9Confident89.4Confident115 Ų11525.8 Ų25.880%0.80416%0.157SC*.G310 helixtrans-68-26.1174.447.90000113.5K619K619-S621 PolarHBondContact O-N 3.11Å
622N80.8Confident89.4Confident42 Ų4225.7 Ų25.723%0.22516%0.157CC..G310 helixtrans-107.321.1-173.8-5638.9000111.1G618 K619 G620 I625G618-N622 CarbonylContact C-O 3.37Å; G618-N622 WeakPolarHBondContact CA-O 3.4Å; G618-N622 PolarHBondContact N-O 3.03Å; K619-N622 PolarHBondContact O-N 3.1Å; G620-N622 VanDerWaalsContact C-N 3.28Å; N622-I625 HydrophobicContact CB-CD1 4.15Å; N622-I625 HydrophobicContact CB-CG1 4.21Å; N622-I625 VanDerWaalsContact O-CG1 3.27Å; N622-I625 WeakPolarHBondContact O-CG1 3.23Å
623G82.1Confident89.4Confident15 Ų1525.7 Ų25.716%0.15516%0.157CC..THydrogen-bonded Turntrans-65.3158.6168.800000111.7Q265 I625Q265-G623 WeakPolarHBondContact O-CA 3.47Å; G623-I625 PolarHBondContact O-N 3.1Å
624G82.8Confident89.4Confident26 Ų2628.1 Ų28.127%0.26817%0.166SC..THydrogen-bonded Turntrans70.8-16.9-177.800000115.8E264 Y617E264-G624 WeakPolarHBondContact O-CA 3.38Å; E264-G624 PolarHBondContact O-N 3.19Å; Y617-G624 WeakPolarHBondContact CE1-O 3.48Å
625I89.9Confident89.4Confident59 Ų5928.3 Ų28.330%0.30317%0.168SC..SBendtrans-112.6156179.662.8168.4000113Y617 G618 N622 G623 S627 L656 Q660Y617-I625 WeakPolarHBondContact CA-O 3Å; G618-I625 PolarHBondContact N-O 3.36Å; N622-I625 HydrophobicContact CB-CD1 4.15Å; N622-I625 HydrophobicContact CB-CG1 4.21Å; N622-I625 VanDerWaalsContact O-CG1 3.27Å; N622-I625 WeakPolarHBondContact O-CG1 3.23Å; G623-I625 PolarHBondContact O-N 3.1Å; I625-S627 PolarHBondContact O-N 3.04Å; I625-S627 VanDerWaalsContact O-N 3.11Å; I625-L656 HydrophobicContact CD1-CD2 3.91Å; I625-L656 HydrophobicContact CD1-CG 4.33Å; I625-Q660 HydrophobicContact CB-CG 4.49Å; I625-Q660 HydrophobicContact CG2-CG 4.48Å
626M91.9Very high89.4Confident11 Ų1130.8 Ų30.85%0.05418%0.183CC..EExtended strand (participates in β ladder)trans-69.599.8169.8-64.5-174.4-71.400109.2A615 F616 F629 L656 Q660 V665 F689A615-M626 HydrophobicContact CB-CB 3.9Å; A615-M626 HydrophobicContact CB-CG 3.85Å; A615-M626 HydrophobicContact CB-SD 3.64Å; F616-M626 WeakPolarHBondContact O-CA 3.44Å; M626-F629 HydrophobicContact CB-CE1 4.16Å; M626-F629 HydrophobicContact CB-CZ 4.35Å; M626-L656 VanDerWaalsContact O-CD1 3.3Å; M626-L656 WeakPolarHBondContact O-CD1 3.32Å; M626-Q660 PolarHBondContact O-NE2 2.61Å; M626-V665 HydrophobicContact CE-CG2 4.01Å; M626-V665 HydrophobicContact SD-CG1 4.15Å; M626-V665 HydrophobicContact SD-CG2 3.81Å; M626-F689 HydrophobicContact CG-CD2 3.65Å; M626-F689 HydrophobicContact CG-CE2 3.66Å; M626-F689 HydrophobicContact CG-CG 4.24Å; M626-F689 HydrophobicContact CG-CZ 4.25Å; M626-F689 HydrophobicContact SD-CB 4.2Å; M626-F689 HydrophobicContact SD-CD1 4.32Å; M626-F689 HydrophobicContact SD-CD2 3.95Å; M626-F689 HydrophobicContact SD-CE2 4.37Å; M626-F689 HydrophobicContact SD-CG 3.92Å
627S90.6Very high89.4Confident15 Ų1535.2 Ų35.211%0.10521%0.207CC..EExtended strand (participates in β ladder)trans-108.2-4.8-17488.60000114.6F616 G618 I625 Y651F616-S627 PolarHBondContact O-N 2.94Å; F616-S627 VanDerWaalsContact O-N 3.13Å; G618-S627 WeakPolarHBondContact CA-OG 3.4Å; G618-S627 PolarHBondContact N-OG 3.07Å; I625-S627 PolarHBondContact O-N 3.04Å; I625-S627 VanDerWaalsContact O-N 3.11Å; S627-Y651 PolarHBondContact O-OH 3.31Å
628S93.4Very high89.5Confident13 Ų1335.1 Ų35.19%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-149.1142.9-177.2-55.80000109.6A615 F616 C647 S648A615-S628 CarbonylContact C-O 3.57Å; A615-S628 WeakPolarHBondContact CA-O 3.24Å; F616-S628 PolarHBondContact N-O 2.88Å; S628-C647 CarbonylContact C-O 3.56Å; S628-C647 WeakPolarHBondContact CA-O 3.41Å; S628-C647 WeakPolarHBondContact CB-O 3.32Å; S628-S648 VanDerWaalsContact CB-OG 3.3Å; S628-S648 WeakPolarHBondContact CB-OG 3.22Å; S628-S648 PolarHBondContact OG-OG 3.44Å
629F95.6Very high89.9Confident0 Ų042.2 Ų42.20%024%0.242CC..EExtended strand (participates in β ladder)trans-125.1142.8-169.1-57.9-80.8000111.3V612 G614 A615 M626 M631 K646 C647 Y651 L656 L659 L663 W700V612-F629 HydrophobicContact CG1-CD1 4.38Å; G614-F629 WeakPolarHBondContact O-CA 3.32Å; A615-F629 HydrophobicContact CB-CD1 3.71Å; A615-F629 HydrophobicContact CB-CE1 3.88Å; M626-F629 HydrophobicContact CB-CE1 4.16Å; M626-F629 HydrophobicContact CB-CZ 4.35Å; F629-M631 HydrophobicContact CB-SD 4.03Å; F629-K646 CarbonylContact O-C 3.52Å; F629-K646 WeakPolarHBondContact O-CA 3.38Å; F629-C647 PolarHBondContact N-O 2.9Å; F629-C647 PolarHBondContact O-N 3.38Å; F629-Y651 AromaticContact CD2-CE1 3.88Å; F629-Y651 HydrophobicContact CD2-CE1 3.88Å; F629-Y651 AromaticContact CD2-CZ 3.96Å; F629-Y651 AromaticContact CE2-CE1 3.92Å; F629-Y651 HydrophobicContact CE2-CE1 3.92Å; F629-Y651 HydrophobicContact CE2-CE2 4.44Å; F629-Y651 AromaticContact CE2-CZ 3.79Å; F629-L656 HydrophobicContact CE2-CD1 3.89Å; F629-L656 HydrophobicContact CZ-CD1 3.98Å; F629-L659 HydrophobicContact CE2-CD1 4.27Å; F629-L659 HydrophobicContact CZ-CB 4.44Å; F629-L659 HydrophobicContact CZ-CD1 4.21Å; F629-L663 HydrophobicContact CD1-CD1 4.08Å; F629-L663 HydrophobicContact CE1-CD1 3.46Å; F629-L663 VanDerWaalsContact CE1-CD1 3.46Å; F629-L663 HydrophobicContact CZ-CD1 4.24Å; F629-W700 HydrophobicContact CB-CH2 4.22Å; F629-W700 HydrophobicContact CB-CZ3 3.61Å; F629-W700 AromaticContact CD1-CH2 3.9Å; F629-W700 HydrophobicContact CD1-CH2 3.9Å; F629-W700 HydrophobicContact CD1-CZ3 4.17Å; F629-W700 AromaticContact CD2-CH2 3.63Å; F629-W700 HydrophobicContact CD2-CH2 3.63Å; F629-W700 AromaticContact CD2-CZ3 3.57Å; F629-W700 HydrophobicContact CD2-CZ3 3.57Å; F629-W700 HydrophobicContact CE1-CH2 4.19Å; F629-W700 AromaticContact CE2-CH2 3.92Å; F629-W700 HydrophobicContact CE2-CH2 3.92Å; F629-W700 HydrophobicContact CE2-CZ3 4.3Å; F629-W700 AromaticContact CG-CH2 3.62Å; F629-W700 HydrophobicContact CG-CH2 3.62Å; F629-W700 AromaticContact CG-CZ3 3.49Å; F629-W700 HydrophobicContact CG-CZ3 3.49Å; F629-W700 VanDerWaalsContact CG-CZ3 3.49Å; F629-W700 HydrophobicContact CZ-CH2 4.2Å
630L96.8Very high90.7Very high0 Ų039.2 Ų39.20%023%0.229CC..EExtended strand (participates in β ladder)trans-89.1115.1175.3-177.865.9000108.5L613 G614 F616 T643 I681 P687L613-L630 HydrophobicContact CB-CD2 4.47Å; L613-L630 PolarHBondContact N-O 3.11Å; G614-L630 PolarHBondContact O-N 2.78Å; F616-L630 HydrophobicContact CE2-CB 4.08Å; L630-T643 HydrophobicContact CD1-CG2 3.96Å; L630-T643 HydrophobicContact CD2-CG2 3.92Å; L630-T643 HydrophobicContact CG-CG2 4.12Å; L630-I681 HydrophobicContact CD2-CD1 3.56Å; L630-P687 HydrophobicContact CD2-CG 4.41Å
631M97Very high91.7Very high0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-103.2140.8-176.5-53.1-49.7-56.300110.6L610 V612 F629 V644 T645 C647 W700 I702L610-M631 HydrophobicContact CB-CB 4.04Å; L610-M631 HydrophobicContact CB-CE 4.02Å; L610-M631 HydrophobicContact CD1-CB 3.93Å; L610-M631 WeakPolarHBondContact O-CE 3.26Å; V612-M631 HydrophobicContact CG2-CE 3.84Å; V612-M631 HydrophobicContact CG2-SD 4.11Å; F629-M631 HydrophobicContact CB-SD 4.03Å; M631-V644 PolarHBondContact O-N 3.17Å; M631-T645 HydrophobicContact CB-CG2 4Å; M631-T645 HydrophobicContact CG-CG2 4.32Å; M631-T645 PolarHBondContact N-O 3.2Å; M631-T645 PolarHBondContact O-N 2.89Å; M631-C647 HydrophobicContact CG-CB 3.89Å; M631-C647 HydrophobicContact SD-CB 4.45Å; M631-W700 HydrophobicContact CE-CB 3.9Å; M631-W700 HydrophobicContact CE-CD2 4.19Å; M631-W700 HydrophobicContact CE-CE3 3.63Å; M631-W700 HydrophobicContact CE-CG 4.34Å; M631-W700 HydrophobicContact SD-CE3 3.57Å; M631-W700 VanDerWaalsContact SD-CE3 3.57Å; M631-W700 HydrophobicContact SD-CZ3 3.97Å; M631-I702 HydrophobicContact CE-CD1 4.17Å; M631-I702 HydrophobicContact CE-CG1 4.26Å; M631-I702 HydrophobicContact CG-CD1 4.04Å; M631-I702 HydrophobicContact CG-CG1 4.13Å; M631-I702 HydrophobicContact SD-CD1 4.4Å
632G96.9Very high92.8Very high0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-153.8178.3-179.800000115.3V611 C642V611-G632 PolarHBondContact N-O 2.96Å; V611-G632 PolarHBondContact O-N 2.9Å; G632-C642 CarbonylContact C-O 3.48Å; G632-C642 WeakPolarHBondContact CA-O 3.44Å
633C96.9Very high93.6Very high1 Ų130.5 Ų30.51%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-126.1154.1-178.860.50000110.5L610 C642 V644 T738L610-C633 HydrophobicContact CD2-CB 4.27Å; C633-C642 PolarHBondContact N-O 2.83Å; C633-C642 PolarHBondContact O-N 2.85Å; C633-V644 HydrophobicContact CB-CG2 4.15Å; C633-T738 WeakPolarHBondContact CB-O 3.48Å
634Y97.4Very high94.3Very high50 Ų5029.8 Ų29.820%0.19616%0.158CC..EExtended strand (participates in β ladder)trans-76.2139.8170-169-113000110.4P636 W641 W734 N739 L740Y634-P636 HydrophobicContact CD1-CG 4.08Å; Y634-P636 HydrophobicContact CE1-CB 4.38Å; Y634-P636 HydrophobicContact CE1-CG 4.4Å; Y634-W641 HydrophobicContact CD2-CD2 4.07Å; Y634-W641 AromaticContact CD2-CE2 3.67Å; Y634-W641 HydrophobicContact CD2-CE3 4.43Å; Y634-W641 HydrophobicContact CD2-CH2 4.09Å; Y634-W641 AromaticContact CD2-CZ2 3.7Å; Y634-W641 HydrophobicContact CD2-CZ2 3.7Å; Y634-W641 HydrophobicContact CD2-CZ3 4.45Å; Y634-W641 HydrophobicContact CE2-CZ2 4.5Å; Y634-W641 HydrophobicContact CG-CH2 4.32Å; Y634-W641 HydrophobicContact CG-CZ2 4.35Å; Y634-W734 HydrophobicContact CD1-CZ3 4.04Å; Y634-W734 HydrophobicContact CD2-CZ3 4.18Å; Y634-W734 HydrophobicContact CE1-CZ3 4.04Å; Y634-W734 HydrophobicContact CE2-CZ3 4.19Å; Y634-W734 HydrophobicContact CG-CE3 4.43Å; Y634-W734 HydrophobicContact CG-CZ3 4.1Å; Y634-N739 CarbonylContact O-C 3.58Å; Y634-N739 WeakPolarHBondContact O-CA 3.08Å; Y634-N739 WeakPolarHBondContact O-CB 3.26Å; Y634-L740 PolarHBondContact O-N 3.23Å
635D96.3Very high94.9Very high5 Ų528.9 Ų28.93%0.02715%0.147CC..EExtended strand (participates in β ladder)trans-108.8103.5170167.814.4000109D637 S638 K639 K640 K680 L740D635-D637 VanDerWaalsContact C-N 3.25Å; D635-D637 PolarHBondContact O-N 3.44Å; D635-D637 WeakPolarHBondContact OD1-CB 3.16Å; D635-D637 PolarHBondContact OD1-N 3.38Å; D635-S638 PolarHBondContact OD1-N 3.45Å; D635-S638 WeakPolarHBondContact OD2-CB 3.41Å; D635-S638 PolarHBondContact OD2-OG 3.1Å; D635-K639 VanDerWaalsContact O-CA 3.28Å; D635-K639 WeakPolarHBondContact O-CA 3.3Å; D635-K639 PolarHBondContact O-N 2.8Å; D635-K640 WeakPolarHBondContact CB-O 3.44Å; D635-K640 PolarHBondContact N-O 2.89Å; D635-K640 PolarHBondContact O-N 2.87Å; D635-K680 IonicContact OD2-NZ 3.7Å; D635-K680 PolarHBondContact OD2-NZ 3.43Å; D635-L740 HydrophobicContact CB-CB 4.18Å; D635-L740 HydrophobicContact CB-CD2 3.84Å
636P93.7Very high95.1Very high52 Ų5229.1 Ų29.134%0.33815%0.146SC..THydrogen-bonded Turntrans-61.9-29.3-179.8-23.234000114.2Y634 N739Y634-P636 HydrophobicContact CD1-CG 4.08Å; Y634-P636 HydrophobicContact CE1-CB 4.38Å; Y634-P636 HydrophobicContact CE1-CG 4.4Å; P636-N739 HydrophobicContact CG-CB 4.49Å
637D93.4Very high95.2Very high104 Ų10428.6 Ų28.656%0.55614%0.143SC*.THydrogen-bonded Turntrans-73.3-46.6-171.9-53.3-23.6000110.1D635 H741 R744D635-D637 VanDerWaalsContact C-N 3.25Å; D635-D637 PolarHBondContact O-N 3.44Å; D635-D637 WeakPolarHBondContact OD1-CB 3.16Å; D635-D637 PolarHBondContact OD1-N 3.38Å; D637-H741 IonicContact OD1-CD2 3.31Å; D637-H741 IonicContact OD1-CE1 3.73Å; D637-H741 IonicContact OD1-NE2 3.73Å; D637-H741 PolarHBondContact OD1-NE2 3.08Å; D637-H741 IonicContact OD2-CD2 2.74Å; D637-H741 IonicContact OD2-CE1 2.63Å; D637-H741 IonicContact OD2-NE2 3.7Å; D637-H741 PolarHBondContact OD2-NE2 3.43Å; D637-R744 IonicContact OD2-NH1 2.77Å
638S92.4Very high95.1Very high46 Ų4631.1 Ų31.132%0.32216%0.161SC..THydrogen-bonded Turntrans-94.2-6.2177.277.90000114.7D635 K640 K680D635-S638 PolarHBondContact OD1-N 3.45Å; D635-S638 WeakPolarHBondContact OD2-CB 3.41Å; D635-S638 PolarHBondContact OD2-OG 3.1Å; S638-K640 VanDerWaalsContact C-N 3.32Å; S638-K640 PolarHBondContact O-N 3.33Å; S638-K680 WeakPolarHBondContact OG-CE 3.33Å; S638-K680 PolarHBondContact OG-NZ 3.41Å
639K93.2Very high94.8Very high156 Ų15631.6 Ų31.668%0.67817%0.168SC*.THydrogen-bonded Turntrans56.141.8-175.8-56.1179.9-177.5178.80113D635D635-K639 VanDerWaalsContact O-CA 3.28Å; D635-K639 WeakPolarHBondContact O-CA 3.3Å; D635-K639 PolarHBondContact O-N 2.8Å
640K95.4Very high94.3Very high80 Ų8034.2 Ų34.235%0.34820%0.195SC..EExtended strand (participates in β ladder)trans-132.8160.6-178.5-67.6-166.3-176.4-153.90112.4D635 S638 S677 W678 K680D635-K640 WeakPolarHBondContact CB-O 3.44Å; D635-K640 PolarHBondContact N-O 2.89Å; D635-K640 PolarHBondContact O-N 2.87Å; S638-K640 VanDerWaalsContact C-N 3.32Å; S638-K640 PolarHBondContact O-N 3.33Å; K640-S677 VanDerWaalsContact CE-O 3.29Å; K640-S677 WeakPolarHBondContact CE-O 3.29Å; K640-S677 PolarHBondContact NZ-O 2.96Å; K640-W678 WeakPolarHBondContact CA-O 3.44Å; K640-W678 WeakPolarHBondContact CB-O 3.46Å; K640-K680 HydrophobicContact CB-CD 4.14Å; K640-K680 HydrophobicContact CB-CG 4.1Å; K640-K680 HydrophobicContact CD-CG 4.07Å
641W97Very high93.9Very high8 Ų835.6 Ų35.63%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-86.2128.7174.4-69.195.1000110.6V611 L613 Y634 W678 L679 K680 P694 W734V611-W641 HydrophobicContact CB-CE3 4.49Å; V611-W641 HydrophobicContact CB-CH2 4.31Å; V611-W641 HydrophobicContact CB-CZ3 3.79Å; V611-W641 HydrophobicContact CG1-CH2 4.32Å; V611-W641 HydrophobicContact CG1-CZ3 4.15Å; V611-W641 HydrophobicContact CG2-CH2 3.86Å; V611-W641 HydrophobicContact CG2-CZ3 3.6Å; L613-W641 HydrophobicContact CD1-CB 4.01Å; L613-W641 HydrophobicContact CD2-CB 4.11Å; L613-W641 HydrophobicContact CD2-CD2 3.9Å; L613-W641 HydrophobicContact CD2-CE3 3.74Å; L613-W641 HydrophobicContact CD2-CG 4.07Å; Y634-W641 HydrophobicContact CD2-CD2 4.07Å; Y634-W641 AromaticContact CD2-CE2 3.67Å; Y634-W641 HydrophobicContact CD2-CE3 4.43Å; Y634-W641 HydrophobicContact CD2-CH2 4.09Å; Y634-W641 AromaticContact CD2-CZ2 3.7Å; Y634-W641 HydrophobicContact CD2-CZ2 3.7Å; Y634-W641 HydrophobicContact CD2-CZ3 4.45Å; Y634-W641 HydrophobicContact CE2-CZ2 4.5Å; Y634-W641 HydrophobicContact CG-CH2 4.32Å; Y634-W641 HydrophobicContact CG-CZ2 4.35Å; W641-W678 HydrophobicContact CB-CE3 3.94Å; W641-W678 HydrophobicContact CB-CZ3 4.13Å; W641-W678 AromaticContact CD1-CE3 3.52Å; W641-W678 AromaticContact CG-CE3 3.94Å; W641-W678 HydrophobicContact CG-CE3 3.94Å; W641-W678 HydrophobicContact CG-CZ3 4.19Å; W641-W678 PolarHBondContact N-O 3.02Å; W641-L679 HydrophobicContact CB-CD1 4.12Å; W641-K680 WeakPolarHBondContact O-CB 3.21Å; W641-K680 PolarHBondContact O-N 3.06Å; W641-P694 HydrophobicContact CD2-CB 4.15Å; W641-P694 HydrophobicContact CG-CB 4.3Å; W641-P694 HydrophobicContact CG-CG 4.39Å; W641-P694 HydrophobicContact CZ2-CB 4.19Å; W641-W734 HydrophobicContact CH2-CB 3.97Å; W641-W734 HydrophobicContact CH2-CE3 4.1Å; W641-W734 HydrophobicContact CZ2-CB 4.29Å; W641-W734 HydrophobicContact CZ2-CD2 4.41Å; W641-W734 AromaticContact CZ2-CE3 3.97Å; W641-W734 HydrophobicContact CZ2-CE3 3.97Å
642C96.6Very high93.4Very high0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-109135.5179-650000110.3G632 C633 K680 A715G632-C642 CarbonylContact C-O 3.48Å; G632-C642 WeakPolarHBondContact CA-O 3.44Å; C633-C642 PolarHBondContact N-O 2.83Å; C633-C642 PolarHBondContact O-N 2.85Å; C642-K680 WeakPolarHBondContact SG-CD 3.3Å; C642-A715 HydrophobicContact CB-CB 3.92Å
643T96.9Very high93Very high0 Ų046.5 Ų46.50%026%0.259CS..EExtended strand (participates in β ladder)trans-79.6135.7176.164.20000110.6L630 L679 I681 T714 A715L630-T643 HydrophobicContact CD1-CG2 3.96Å; L630-T643 HydrophobicContact CD2-CG2 3.92Å; L630-T643 HydrophobicContact CG-CG2 4.12Å; T643-L679 HydrophobicContact CG2-CD1 4.17Å; T643-I681 HydrophobicContact CG2-CB 4.1Å; T643-I681 HydrophobicContact CG2-CD1 4.17Å; T643-I681 HydrophobicContact CG2-CG1 3.99Å; T643-T714 PolarHBondContact N-OG1 3.34Å; T643-T714 PolarHBondContact O-N 3.33Å; T643-T714 VanDerWaalsContact O-N 3.08Å; T643-T714 PolarHBondContact OG1-N 2.89Å; T643-T714 PolarHBondContact OG1-OG1 2.65Å; T643-A715 PolarHBondContact O-N 2.93Å; T643-A715 VanDerWaalsContact O-N 3.14Å
644V96Very high92.6Very high0 Ų049.7 Ų49.70%029%0.285CS..EExtended strand (participates in β ladder)trans-115.3-45.8-178.5177.20000110.8L610 M631 C633 H713 A715 S719 I720 L743L610-V644 HydrophobicContact CD1-CB 3.95Å; L610-V644 HydrophobicContact CD1-CG1 3.81Å; L610-V644 HydrophobicContact CD2-CB 4.45Å; L610-V644 HydrophobicContact CD2-CG2 4.13Å; M631-V644 PolarHBondContact O-N 3.17Å; C633-V644 HydrophobicContact CB-CG2 4.15Å; V644-H713 PolarHBondContact O-CD2 3.2Å; V644-H713 VanDerWaalsContact O-CD2 3.31Å; V644-H713 VanDerWaalsContact O-CG 3.29Å; V644-A715 HydrophobicContact CG2-CB 3.65Å; V644-S719 VanDerWaalsContact O-CA 3.29Å; V644-S719 WeakPolarHBondContact O-CA 3.46Å; V644-S719 VanDerWaalsContact O-CB 3.22Å; V644-S719 WeakPolarHBondContact O-CB 3.2Å; V644-S719 PolarHBondContact O-OG 2.9Å; V644-I720 HydrophobicContact CG1-CD1 4.36Å; V644-I720 HydrophobicContact CG1-CG1 4.29Å; V644-L743 HydrophobicContact CB-CD2 4.45Å; V644-L743 HydrophobicContact CG1-CD2 3.98Å; V644-L743 HydrophobicContact CG2-CD2 3.56Å
645T95Very high92.2Very high6 Ų649.9 Ų49.94%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-159.5169-178.9-164.70000113L610 M631 I702 I720 P723L610-T645 HydrophobicContact CD1-CG2 4.3Å; M631-T645 HydrophobicContact CB-CG2 4Å; M631-T645 HydrophobicContact CG-CG2 4.32Å; M631-T645 PolarHBondContact N-O 3.2Å; M631-T645 PolarHBondContact O-N 2.89Å; T645-I702 HydrophobicContact CG2-CG2 4.22Å; T645-I720 HydrophobicContact CG2-CB 4.36Å; T645-I720 HydrophobicContact CG2-CD1 4.31Å; T645-P723 HydrophobicContact CG2-CB 3.95Å; T645-P723 HydrophobicContact CG2-CG 4.38Å; T645-P723 WeakPolarHBondContact OG1-CG 3.34Å
646K94.8Very high91.9Very high64 Ų6449.9 Ų49.928%0.27829%0.288SS..EExtended strand (participates in β ladder)trans-109.1111.1168.8177.8175.2176.5164.20109.3F616 F629 Y685 P723F616-K646 HydrophobicContact CD2-CD 3.87Å; F616-K646 HydrophobicContact CD2-CG 4.32Å; F616-K646 VanDerWaalsContact CD2-NZ 3.32Å; F616-K646 HydrophobicContact CE2-CD 3.62Å; F616-K646 HydrophobicContact CE2-CG 3.97Å; F616-K646 HydrophobicContact CZ-CD 4.12Å; F629-K646 CarbonylContact O-C 3.52Å; F629-K646 WeakPolarHBondContact O-CA 3.38Å; K646-Y685 HydrophobicContact CB-CE1 4.46Å; K646-P723 WeakPolarHBondContact O-CG 3.26Å
647C93.5Very high91.8Very high0 Ų050 Ų500%029%0.294CS..EExtended strand (participates in β ladder)trans-82.6146.5173.8-166.50000110.5S628 F629 M631 G649 I702S628-C647 CarbonylContact C-O 3.56Å; S628-C647 WeakPolarHBondContact CA-O 3.41Å; S628-C647 WeakPolarHBondContact CB-O 3.32Å; F629-C647 PolarHBondContact N-O 2.9Å; F629-C647 PolarHBondContact O-N 3.38Å; M631-C647 HydrophobicContact CG-CB 3.89Å; M631-C647 HydrophobicContact SD-CB 4.45Å; C647-G649 PolarHBondContact SG-O 3.02Å; C647-I702 HydrophobicContact CB-CD1 4.22Å
648S89.8Confident91.7Very high68 Ų6850.1 Ų50.148%0.47629%0.287SS..  trans-15022.3-176.8-62.30000113.4S628 Y651S628-S648 VanDerWaalsContact CB-OG 3.3Å; S628-S648 WeakPolarHBondContact CB-OG 3.22Å; S628-S648 PolarHBondContact OG-OG 3.44Å; S648-Y651 VanDerWaalsContact C-OH 3.28Å; S648-Y651 VanDerWaalsContact CA-OH 3.28Å; S648-Y651 WeakPolarHBondContact CA-OH 3.3Å
649G86.7Confident91.6Very high23 Ų2348.1 Ų48.124%0.23727%0.272CS..  trans173.7171.4178.500000113.4C647 Y651 R724 M725C647-G649 PolarHBondContact SG-O 3.02Å; G649-Y651 PolarHBondContact N-OH 3.39Å; G649-R724 WeakPolarHBondContact O-CA 3.25Å; G649-M725 PolarHBondContact O-N 2.64Å
650G85.5Confident91.6Very high55 Ų5543.4 Ų43.457%0.56725%0.253SS*.SBendtrans107.9-18.8-171.700000112.9M725G650-M725 WeakPolarHBondContact CA-O 3.29Å
651Y87.4Confident91.3Very high30 Ų3048.3 Ų48.312%0.11827%0.274CS..SBendtrans-88.5154.2161.836.6-96.4000110.9S627 F629 S648 G649 L656 M725S627-Y651 PolarHBondContact O-OH 3.31Å; F629-Y651 AromaticContact CD2-CE1 3.88Å; F629-Y651 HydrophobicContact CD2-CE1 3.88Å; F629-Y651 AromaticContact CD2-CZ 3.96Å; F629-Y651 AromaticContact CE2-CE1 3.92Å; F629-Y651 HydrophobicContact CE2-CE1 3.92Å; F629-Y651 HydrophobicContact CE2-CE2 4.44Å; F629-Y651 AromaticContact CE2-CZ 3.79Å; S648-Y651 VanDerWaalsContact C-OH 3.28Å; S648-Y651 VanDerWaalsContact CA-OH 3.28Å; S648-Y651 WeakPolarHBondContact CA-OH 3.3Å; G649-Y651 PolarHBondContact N-OH 3.39Å; Y651-L656 HydrophobicContact CD2-CB 4.21Å; Y651-L656 HydrophobicContact CD2-CD1 3.85Å; Y651-L656 HydrophobicContact CD2-CD2 4.39Å; Y651-L656 HydrophobicContact CD2-CG 4.38Å; Y651-L656 HydrophobicContact CE2-CD1 3.68Å; Y651-L656 HydrophobicContact CE2-CD2 4.19Å; Y651-L656 HydrophobicContact CE2-CG 4.42Å; Y651-M725 HydrophobicContact CD1-CB 4.14Å
652D87.5Confident91Very high99 Ų9953 Ų5353%0.52930%0.296SS..  trans-93.6176.317072.6-8.5000111.7A654 M655 L656D652-A654 PolarHBondContact O-N 3.32Å; D652-A654 PolarHBondContact OD1-N 2.67Å; D652-M655 PolarHBondContact O-N 2.8Å; D652-M655 WeakPolarHBondContact OD1-CB 3.5Å; D652-M655 PolarHBondContact OD1-N 2.97Å; D652-L656 WeakPolarHBondContact O-CB 3.25Å; D652-L656 PolarHBondContact O-N 3.06Å
653D86.9Confident90.7Very high129 Ų12953.7 Ų53.769%0.6930%0.3SS*.Hα-helixtrans-65.2-29.2-177.8-60.6-37.3000112.5A657D653-A657 WeakPolarHBondContact O-CB 3.4Å; D653-A657 PolarHBondContact O-N 2.93Å
654A89.2Confident90.5Very high68 Ų6857.7 Ų57.756%0.56232%0.321SS*.Hα-helixtrans-71.8-47.9178.300000111.6D652 L656 A657 R658D652-A654 PolarHBondContact O-N 3.32Å; D652-A654 PolarHBondContact OD1-N 2.67Å; A654-L656 VanDerWaalsContact C-N 3.32Å; A654-A657 PolarHBondContact O-N 2.69Å; A654-R658 PolarHBondContact O-N 3.06Å
655M89.1Confident90.3Very high55 Ų5559.2 Ų59.227%0.27133%0.331SS..Hα-helixtrans-61-42.2171.2-177178.2-7100110.6D652 A657 R658 L659 I728D652-M655 PolarHBondContact O-N 2.8Å; D652-M655 WeakPolarHBondContact OD1-CB 3.5Å; D652-M655 PolarHBondContact OD1-N 2.97Å; M655-A657 VanDerWaalsContact C-N 3.33Å; M655-A657 PolarHBondContact O-N 3.29Å; M655-R658 WeakPolarHBondContact O-CA 3.35Å; M655-R658 VanDerWaalsContact O-CB 3.25Å; M655-R658 WeakPolarHBondContact O-CB 3.47Å; M655-R658 PolarHBondContact O-N 2.97Å; M655-R658 VanDerWaalsContact O-N 3.07Å; M655-L659 HydrophobicContact CG-CD1 4.16Å; M655-L659 HydrophobicContact CG-CG 4.33Å; M655-L659 WeakPolarHBondContact O-CG 3.28Å; M655-L659 PolarHBondContact O-N 3.43Å; M655-I728 HydrophobicContact CE-CD1 4.13Å; M655-I728 HydrophobicContact CE-CG1 4.49Å; M655-I728 HydrophobicContact SD-CD1 4Å; M655-I728 HydrophobicContact SD-CG1 4.4Å
656L90.9Very high90.2Very high4 Ų462.4 Ų62.42%0.02135%0.346CS..Hα-helixtrans-63.5-39179.5-167.159.3000112.3I625 M626 F629 Y651 D652 A654 R658 L659 Q660I625-L656 HydrophobicContact CD1-CD2 3.91Å; I625-L656 HydrophobicContact CD1-CG 4.33Å; M626-L656 VanDerWaalsContact O-CD1 3.3Å; M626-L656 WeakPolarHBondContact O-CD1 3.32Å; F629-L656 HydrophobicContact CE2-CD1 3.89Å; F629-L656 HydrophobicContact CZ-CD1 3.98Å; Y651-L656 HydrophobicContact CD2-CB 4.21Å; Y651-L656 HydrophobicContact CD2-CD1 3.85Å; Y651-L656 HydrophobicContact CD2-CD2 4.39Å; Y651-L656 HydrophobicContact CD2-CG 4.38Å; Y651-L656 HydrophobicContact CE2-CD1 3.68Å; Y651-L656 HydrophobicContact CE2-CD2 4.19Å; Y651-L656 HydrophobicContact CE2-CG 4.42Å; D652-L656 WeakPolarHBondContact O-CB 3.25Å; D652-L656 PolarHBondContact O-N 3.06Å; A654-L656 VanDerWaalsContact C-N 3.32Å; L656-R658 VanDerWaalsContact C-N 3.33Å; L656-L659 PolarHBondContact O-N 3.19Å; L656-Q660 WeakPolarHBondContact O-CG 3.04Å; L656-Q660 PolarHBondContact O-N 2.89Å; L656-Q660 PolarHBondContact O-NE2 3.12Å
657A90.6Very high90.1Very high55 Ų5563.1 Ų63.146%0.45535%0.35SS..Hα-helixtrans-67.6-30.6172.900000113.1D653 A654 M655D653-A657 WeakPolarHBondContact O-CB 3.4Å; D653-A657 PolarHBondContact O-N 2.93Å; A654-A657 PolarHBondContact O-N 2.69Å; M655-A657 VanDerWaalsContact C-N 3.33Å; M655-A657 PolarHBondContact O-N 3.29Å
658R91.6Very high90Very high107 Ų10763.3 Ų63.340%0.40435%0.351SS..Hα-helixtrans-67.3-46.9172.9-147.9-170.873.9174.316.7111A654 M655 L656 Q660 K661 E662A654-R658 PolarHBondContact O-N 3.06Å; M655-R658 WeakPolarHBondContact O-CA 3.35Å; M655-R658 VanDerWaalsContact O-CB 3.25Å; M655-R658 WeakPolarHBondContact O-CB 3.47Å; M655-R658 PolarHBondContact O-N 2.97Å; M655-R658 VanDerWaalsContact O-N 3.07Å; L656-R658 VanDerWaalsContact C-N 3.33Å; R658-Q660 PolarHBondContact O-N 2.79Å; R658-K661 WeakPolarHBondContact O-CB 3.47Å; R658-K661 PolarHBondContact O-N 3.45Å; R658-E662 VanDerWaalsContact CD-OE1 3.27Å; R658-E662 WeakPolarHBondContact CD-OE1 3.13Å; R658-E662 HydrophobicContact CG-CG 4.5Å; R658-E662 WeakPolarHBondContact CG-OE1 3.48Å; R658-E662 IonicContact CZ-OE1 2.7Å; R658-E662 IonicContact CZ-OE2 3.72Å; R658-E662 IonicContact NE-OE1 3.78Å; R658-E662 PolarHBondContact NE-OE1 3.48Å; R658-E662 IonicContact NE-OE2 2.65Å; R658-E662 PolarHBondContact NE-OE2 3.26Å; R658-E662 IonicContact NH2-OE1 3.55Å; R658-E662 PolarHBondContact NH2-OE1 2.88Å; R658-E662 IonicContact NH2-OE2 3.86Å; R658-E662 PolarHBondContact NH2-OE2 3.33Å; R658-E662 PolarHBondContact O-N 3.4Å
659L91.3Very high89.9Confident4 Ų462.4 Ų62.42%0.02135%0.345CS..Hα-helixtrans-63.8-21.6179.6-68.8176.3000114.2F629 M655 L656 K661 L663 W700F629-L659 HydrophobicContact CE2-CD1 4.27Å; F629-L659 HydrophobicContact CZ-CB 4.44Å; F629-L659 HydrophobicContact CZ-CD1 4.21Å; M655-L659 HydrophobicContact CG-CD1 4.16Å; M655-L659 HydrophobicContact CG-CG 4.33Å; M655-L659 WeakPolarHBondContact O-CG 3.28Å; M655-L659 PolarHBondContact O-N 3.43Å; L656-L659 PolarHBondContact O-N 3.19Å; L659-K661 PolarHBondContact O-N 3.16Å; L659-L663 HydrophobicContact CB-CD1 4.2Å; L659-L663 HydrophobicContact CD2-CG 4.4Å; L659-L663 WeakPolarHBondContact O-CG 3.12Å; L659-W700 HydrophobicContact CD1-CH2 3.79Å; L659-W700 HydrophobicContact CD1-CZ2 3.68Å; L659-W700 HydrophobicContact CD2-CZ2 3.73Å; L659-W700 HydrophobicContact CG-CZ2 4.35Å
660Q91.6Very high89.9Confident56 Ų5665.5 Ų65.526%0.26235%0.351SS..Hα-helixtrans-66.4-15.5170.6-51.3-47.5-66.500113.2I625 M626 L656 R658I625-Q660 HydrophobicContact CB-CG 4.49Å; I625-Q660 HydrophobicContact CG2-CG 4.48Å; M626-Q660 PolarHBondContact O-NE2 2.61Å; L656-Q660 WeakPolarHBondContact O-CG 3.04Å; L656-Q660 PolarHBondContact O-N 2.89Å; L656-Q660 PolarHBondContact O-NE2 3.12Å; R658-Q660 PolarHBondContact O-N 2.79Å
661K90.4Very high90Very high184 Ų18466.4 Ų66.480%0.834%0.341SS*.Hα-helixtrans-113.1-28.9-175.7-55.4-178.2-176.9-179.60113.4R658 L659R658-K661 WeakPolarHBondContact O-CB 3.47Å; R658-K661 PolarHBondContact O-N 3.45Å; L659-K661 PolarHBondContact O-N 3.16Å
662E89.1Confident90.1Very high107 Ų10769.1 Ų69.150%0.536%0.362SS..Hα-helixtrans-86.7-21.2-175.7-68.8175.4164.700113.8R658R658-E662 VanDerWaalsContact CD-OE1 3.27Å; R658-E662 WeakPolarHBondContact CD-OE1 3.13Å; R658-E662 HydrophobicContact CG-CG 4.5Å; R658-E662 WeakPolarHBondContact CG-OE1 3.48Å; R658-E662 IonicContact CZ-OE1 2.7Å; R658-E662 IonicContact CZ-OE2 3.72Å; R658-E662 IonicContact NE-OE1 3.78Å; R658-E662 PolarHBondContact NE-OE1 3.48Å; R658-E662 IonicContact NE-OE2 2.65Å; R658-E662 PolarHBondContact NE-OE2 3.26Å; R658-E662 IonicContact NH2-OE1 3.55Å; R658-E662 PolarHBondContact NH2-OE1 2.88Å; R658-E662 IonicContact NH2-OE2 3.86Å; R658-E662 PolarHBondContact NH2-OE2 3.33Å; R658-E662 PolarHBondContact O-N 3.4Å
663L90.9Very high90.2Very high14 Ų1468.3 Ų68.37%0.07338%0.377CS..  trans-91.2111.2-177.7-62.5175.2000111.2F629 L659 V665 I691 P698F629-L663 HydrophobicContact CD1-CD1 4.08Å; F629-L663 HydrophobicContact CE1-CD1 3.46Å; F629-L663 VanDerWaalsContact CE1-CD1 3.46Å; F629-L663 HydrophobicContact CZ-CD1 4.24Å; L659-L663 HydrophobicContact CB-CD1 4.2Å; L659-L663 HydrophobicContact CD2-CG 4.4Å; L659-L663 WeakPolarHBondContact O-CG 3.12Å; L663-V665 HydrophobicContact CB-CG1 4.18Å; L663-V665 PolarHBondContact O-N 3.2Å; L663-I691 HydrophobicContact CB-CD1 4.13Å; L663-I691 HydrophobicContact CD2-CD1 4.14Å; L663-P698 HydrophobicContact CD2-CG 3.62Å
664D92.1Very high90.4Very high83 Ų8367 Ų6744%0.44437%0.365SS..  trans-73.194.8170.8-178.616.6000110.9I691 R692D664-I691 WeakPolarHBondContact O-CA 3.47Å; D664-R692 VanDerWaalsContact CG-NE 3.28Å; D664-R692 PolarHBondContact O-N 3.03Å; D664-R692 IonicContact OD1-CZ 3.5Å; D664-R692 IonicContact OD1-NE 3.63Å; D664-R692 PolarHBondContact OD1-NE 3.11Å; D664-R692 VanDerWaalsContact OD1-NE 3.08Å; D664-R692 IonicContact OD1-NH2 2.86Å; D664-R692 PolarHBondContact OD1-NH2 2.98Å; D664-R692 WeakPolarHBondContact OD2-CB 3.25Å; D664-R692 VanDerWaalsContact OD2-CD 3.24Å; D664-R692 WeakPolarHBondContact OD2-CD 3.48Å; D664-R692 IonicContact OD2-CZ 3.29Å; D664-R692 IonicContact OD2-NE 3.11Å; D664-R692 PolarHBondContact OD2-NE 3.3Å; D664-R692 IonicContact OD2-NH2 2.81Å
665V92.9Very high90.6Very high33 Ų3365.3 Ų65.320%0.235%0.346CS..EExtended strand (participates in β ladder)trans-114.9147.6-177.5-70.20000113.5M626 L663 F689 I690 I691M626-V665 HydrophobicContact CE-CG2 4.01Å; M626-V665 HydrophobicContact SD-CG1 4.15Å; M626-V665 HydrophobicContact SD-CG2 3.81Å; L663-V665 HydrophobicContact CB-CG1 4.18Å; L663-V665 PolarHBondContact O-N 3.2Å; V665-F689 HydrophobicContact CB-CB 4.06Å; V665-F689 HydrophobicContact CB-CD1 4.36Å; V665-F689 HydrophobicContact CG1-CB 4.27Å; V665-F689 HydrophobicContact CG2-CB 4.38Å; V665-F689 HydrophobicContact CG2-CD1 3.91Å; V665-F689 HydrophobicContact CG2-CG 4.42Å; V665-I690 CarbonylContact C-O 3.49Å; V665-I690 VanDerWaalsContact CA-O 3.25Å; V665-I690 WeakPolarHBondContact CA-O 3.01Å; V665-I691 HydrophobicContact CG1-CD1 3.64Å; V665-I691 HydrophobicContact CG1-CG1 4.39Å
666I93Very high90.8Very high72 Ų7264.5 Ų64.537%0.36935%0.345SS..EExtended strand (participates in β ladder)trans-104.8127.5167.7-57175.8000107.9I668 F689 I690 R692I666-I668 HydrophobicContact CG2-CG2 4.22Å; I666-I668 PolarHBondContact O-N 3.11Å; I666-F689 CarbonylContact O-C 3.56Å; I666-F689 WeakPolarHBondContact O-CA 3.43Å; I666-I690 HydrophobicContact CB-CG2 4.28Å; I666-I690 PolarHBondContact N-O 2.7Å; I666-I690 PolarHBondContact O-N 2.77Å; I666-R692 HydrophobicContact CD1-CB 4.32Å; I666-R692 HydrophobicContact CD1-CG 4.21Å; I666-R692 HydrophobicContact CG1-CB 4.4Å
667K92.8Very high90.9Very high79 Ų7969.1 Ų69.134%0.34338%0.378SS..EExtended strand (participates in β ladder)trans-73.4124.7172.1-175.2172177.8171.30110E264 Y617 S669 F689E264-K667 VanDerWaalsContact OE1-CE 3.29Å; E264-K667 WeakPolarHBondContact OE1-CE 3.23Å; E264-K667 IonicContact OE1-NZ 3.23Å; E264-K667 PolarHBondContact OE1-NZ 2.85Å; E264-K667 IonicContact OE2-NZ 2.69Å; E264-K667 PolarHBondContact OE2-NZ 3.45Å; Y617-K667 PolarHBondContact OH-NZ 2.59Å; K667-S669 WeakPolarHBondContact CE-OG 3.38Å; K667-F689 HydrophobicContact CB-CD1 3.87Å; K667-F689 HydrophobicContact CB-CE1 3.86Å; K667-F689 HydrophobicContact CD-CE1 4.23Å; K667-F689 HydrophobicContact CD-CZ 4.49Å; K667-F689 HydrophobicContact CG-CD1 4.28Å; K667-F689 HydrophobicContact CG-CE1 4.08Å
668I91.8Very high91.1Very high4 Ų469.3 Ų69.32%0.02137%0.367CS..  trans-122.7-3.7-17965162.6000113.6I666 K670 E671 K674 I675 P687 D688 I690I666-I668 HydrophobicContact CG2-CG2 4.22Å; I666-I668 PolarHBondContact O-N 3.11Å; I668-K670 PolarHBondContact O-N 2.93Å; I668-E671 WeakPolarHBondContact O-CB 3.34Å; I668-E671 WeakPolarHBondContact O-CG 3.15Å; I668-E671 PolarHBondContact O-N 2.99Å; I668-K674 HydrophobicContact CB-CB 3.77Å; I668-K674 HydrophobicContact CB-CD 4.39Å; I668-K674 HydrophobicContact CG2-CB 3.81Å; I668-I675 HydrophobicContact CD1-CD1 3.62Å; I668-P687 HydrophobicContact CD1-CG 4.09Å; I668-P687 WeakPolarHBondContact CG1-O 3.34Å; I668-D688 PolarHBondContact N-O 2.82Å; I668-I690 HydrophobicContact CD1-CB 4.16Å; I668-I690 HydrophobicContact CD1-CG2 4.38Å; I668-I690 HydrophobicContact CG2-CG2 3.83Å
669S87.4Confident91.3Very high50 Ų5064.8 Ų64.835%0.3535%0.351SS..THydrogen-bonded Turntrans53.927.4170.8-52.70000115.1K667 E671 D688K667-S669 WeakPolarHBondContact CE-OG 3.38Å; S669-E671 PolarHBondContact O-N 2.98Å; S669-D688 PolarHBondContact N-O 2.85Å
670K86.5Confident91.4Very high88 Ų8867.9 Ų67.938%0.38336%0.364SS..THydrogen-bonded Turntrans62.918.6-173.1-42.1-165.9166.873.10115.4I668 Y686 P687 D688I668-K670 PolarHBondContact O-N 2.93Å; K670-Y686 VanDerWaalsContact CD-O 3.24Å; K670-Y686 WeakPolarHBondContact CD-O 3.33Å; K670-Y686 WeakPolarHBondContact CE-O 3.25Å; K670-Y686 WeakPolarHBondContact CG-O 3.37Å; K670-P687 WeakPolarHBondContact CA-O 3.12Å; K670-P687 PolarHBondContact N-O 2.87Å; K670-D688 IonicContact NZ-OD1 3.34Å; K670-D688 PolarHBondContact NZ-OD1 3.41Å; K670-D688 IonicContact NZ-OD2 3.44Å; K670-D688 PolarHBondContact NZ-OD2 2.99Å
671E87.8Confident91.5Very high74 Ų7466.3 Ų66.335%0.34636%0.358SS..  trans-73.8126.9-178.5-67.5170.4-124.200112.1I668 S669 G673 K674I668-E671 WeakPolarHBondContact O-CB 3.34Å; I668-E671 WeakPolarHBondContact O-CG 3.15Å; I668-E671 PolarHBondContact O-N 2.99Å; S669-E671 PolarHBondContact O-N 2.98Å; E671-G673 VanDerWaalsContact C-N 3.32Å; E671-G673 PolarHBondContact O-N 3.34Å; E671-K674 HydrophobicContact CB-CB 4.33Å; E671-K674 HydrophobicContact CB-CD 4.17Å; E671-K674 HydrophobicContact CB-CG 4.25Å; E671-K674 PolarHBondContact O-N 2.88Å; E671-K674 VanDerWaalsContact O-N 3.15Å; E671-K674 IonicContact OE1-NZ 2.71Å; E671-K674 PolarHBondContact OE1-NZ 3.07Å; E671-K674 WeakPolarHBondContact OE2-CD 3.48Å; E671-K674 WeakPolarHBondContact OE2-CE 3.15Å; E671-K674 IonicContact OE2-NZ 2.78Å; E671-K674 PolarHBondContact OE2-NZ 3.4Å
672P89Confident91.6Very high87 Ų8759.8 Ų59.857%0.56533%0.333SS*.G310 helixtrans-58.1-39.7-177.8-23.931.7000114.2K674 I675 Y686P672-K674 PolarHBondContact O-N 3.45Å; P672-I675 PolarHBondContact O-N 2.86Å; P672-Y686 HydrophobicContact CB-CE2 3.84Å; P672-Y686 HydrophobicContact CG-CD2 4.41Å; P672-Y686 HydrophobicContact CG-CE2 3.94Å
673G90Very high91.5Very high82 Ų8262.2 Ų62.285%0.84534%0.342SS*.G310 helixtrans-72.9-7.9-178.100000114.9E671E671-G673 VanDerWaalsContact C-N 3.32Å; E671-G673 PolarHBondContact O-N 3.34Å
674K91.4Very high91.4Very high101 Ų10166.8 Ų66.844%0.43937%0.366SS..G310 helixtrans-1033.5177-66-179.1-176.5162.40113I668 E671 P672 P676I668-K674 HydrophobicContact CB-CB 3.77Å; I668-K674 HydrophobicContact CB-CD 4.39Å; I668-K674 HydrophobicContact CG2-CB 3.81Å; E671-K674 HydrophobicContact CB-CB 4.33Å; E671-K674 HydrophobicContact CB-CD 4.17Å; E671-K674 HydrophobicContact CB-CG 4.25Å; E671-K674 PolarHBondContact O-N 2.88Å; E671-K674 VanDerWaalsContact O-N 3.15Å; E671-K674 IonicContact OE1-NZ 2.71Å; E671-K674 PolarHBondContact OE1-NZ 3.07Å; E671-K674 WeakPolarHBondContact OE2-CD 3.48Å; E671-K674 WeakPolarHBondContact OE2-CE 3.15Å; E671-K674 IonicContact OE2-NZ 2.78Å; E671-K674 PolarHBondContact OE2-NZ 3.4Å; P672-K674 PolarHBondContact O-N 3.45Å; K674-P676 WeakPolarHBondContact O-CD 3.1Å
675I93.1Very high91.3Very high32 Ų3265.2 Ų65.216%0.16435%0.354CS..SBendtrans-78.2119.3172.6-58.8-68.9000109.1I668 P672 L679 I681 Y686I668-I675 HydrophobicContact CD1-CD1 3.62Å; P672-I675 PolarHBondContact O-N 2.86Å; I675-L679 HydrophobicContact CG2-CB 4.47Å; I675-I681 HydrophobicContact CD1-CG2 4.4Å; I675-I681 HydrophobicContact CG2-CG2 3.68Å; I675-Y686 HydrophobicContact CD1-CD1 4.06Å; I675-Y686 HydrophobicContact CD1-CD2 4.42Å; I675-Y686 HydrophobicContact CD1-CE1 4.5Å; I675-Y686 HydrophobicContact CD1-CG 4.03Å; I675-Y686 HydrophobicContact CG1-CD1 4.34Å; I675-Y686 HydrophobicContact CG1-CD2 4.28Å; I675-Y686 HydrophobicContact CG1-CE1 4.33Å; I675-Y686 HydrophobicContact CG1-CE2 4.26Å; I675-Y686 HydrophobicContact CG1-CG 4.32Å
676P92.8Very high91.3Very high38 Ų3865.9 Ų65.925%0.24735%0.354CS..  trans-66.7148.5178.5-22.836000113.1K674 W678 L679 I690K674-P676 WeakPolarHBondContact O-CD 3.1Å; P676-W678 HydrophobicContact CB-CD2 4.07Å; P676-W678 HydrophobicContact CB-CG 3.98Å; P676-W678 HydrophobicContact CB-CZ2 4.35Å; P676-W678 VanDerWaalsContact CB-NE1 3.33Å; P676-W678 HydrophobicContact CG-CZ2 4.09Å; P676-W678 PolarHBondContact O-N 3.38Å; P676-W678 VanDerWaalsContact O-N 3.08Å; P676-L679 PolarHBondContact O-N 3.09Å; P676-I690 HydrophobicContact CG-CD1 3.74Å
677S92.7Very high91.4Very high102 Ų10262.4 Ų62.471%0.71334%0.336SS*.THydrogen-bonded Turntrans-62.4-17.1-179.758.50000114.6K640 L679K640-S677 VanDerWaalsContact CE-O 3.29Å; K640-S677 WeakPolarHBondContact CE-O 3.29Å; K640-S677 PolarHBondContact NZ-O 2.96Å; S677-L679 VanDerWaalsContact C-N 3.33Å
678W94.6Very high91.4Very high58 Ų5859.2 Ų59.222%0.2232%0.323CS..THydrogen-bonded Turntrans-75.3-15.9174.858.9-114000114L613 K640 W641 P676 I690 P694L613-W678 HydrophobicContact CD2-CZ3 4.35Å; K640-W678 WeakPolarHBondContact CA-O 3.44Å; K640-W678 WeakPolarHBondContact CB-O 3.46Å; W641-W678 HydrophobicContact CB-CE3 3.94Å; W641-W678 HydrophobicContact CB-CZ3 4.13Å; W641-W678 AromaticContact CD1-CE3 3.52Å; W641-W678 AromaticContact CG-CE3 3.94Å; W641-W678 HydrophobicContact CG-CE3 3.94Å; W641-W678 HydrophobicContact CG-CZ3 4.19Å; W641-W678 PolarHBondContact N-O 3.02Å; P676-W678 HydrophobicContact CB-CD2 4.07Å; P676-W678 HydrophobicContact CB-CG 3.98Å; P676-W678 HydrophobicContact CB-CZ2 4.35Å; P676-W678 VanDerWaalsContact CB-NE1 3.33Å; P676-W678 HydrophobicContact CG-CZ2 4.09Å; P676-W678 PolarHBondContact O-N 3.38Å; P676-W678 VanDerWaalsContact O-N 3.08Å; W678-I690 HydrophobicContact CH2-CD1 3.69Å; W678-I690 HydrophobicContact CH2-CG1 3.92Å; W678-I690 HydrophobicContact CZ2-CD1 3.86Å; W678-I690 HydrophobicContact CZ2-CG1 4.26Å; W678-I690 HydrophobicContact CZ3-CD1 4.44Å; W678-P694 HydrophobicContact CD2-CG 4.04Å; W678-P694 HydrophobicContact CE3-CG 3.97Å; W678-P694 HydrophobicContact CH2-CB 4.1Å; W678-P694 HydrophobicContact CH2-CG 3.96Å; W678-P694 HydrophobicContact CZ2-CG 4.01Å; W678-P694 HydrophobicContact CZ3-CB 4.09Å; W678-P694 HydrophobicContact CZ3-CG 3.93Å
679L95.4Very high91.5Very high12 Ų1260.3 Ų60.36%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-102.5118-176.4-17655.1000112.1L613 W641 T643 I675 P676 S677 I681 I690L613-L679 HydrophobicContact CD1-CD1 3.82Å; W641-L679 HydrophobicContact CB-CD1 4.12Å; T643-L679 HydrophobicContact CG2-CD1 4.17Å; I675-L679 HydrophobicContact CG2-CB 4.47Å; P676-L679 PolarHBondContact O-N 3.09Å; S677-L679 VanDerWaalsContact C-N 3.33Å; L679-I681 HydrophobicContact CD1-CB 4.49Å; L679-I681 HydrophobicContact CD2-CB 4.21Å; L679-I681 HydrophobicContact CD2-CD1 4.17Å; L679-I681 HydrophobicContact CD2-CG2 3.89Å; L679-I681 HydrophobicContact CG-CB 3.93Å; L679-I681 HydrophobicContact CG-CG2 3.75Å; L679-I690 HydrophobicContact CD2-CD1 3.71Å; L679-I690 HydrophobicContact CD2-CG1 4.48Å
680K93.9Very high91.9Very high69 Ų6958.1 Ų58.130%0.331%0.312SS..EExtended strand (participates in β ladder)trans-82109.9164.5-72.4167.9163.2-175.30108.6D635 S638 K640 W641 C642 T714D635-K680 IonicContact OD2-NZ 3.7Å; D635-K680 PolarHBondContact OD2-NZ 3.43Å; S638-K680 WeakPolarHBondContact OG-CE 3.33Å; S638-K680 PolarHBondContact OG-NZ 3.41Å; K640-K680 HydrophobicContact CB-CD 4.14Å; K640-K680 HydrophobicContact CB-CG 4.1Å; K640-K680 HydrophobicContact CD-CG 4.07Å; W641-K680 WeakPolarHBondContact O-CB 3.21Å; W641-K680 PolarHBondContact O-N 3.06Å; C642-K680 WeakPolarHBondContact SG-CD 3.3Å; K680-T714 HydrophobicContact CB-CG2 4.3Å; K680-T714 WeakPolarHBondContact O-CB 3.42Å; K680-T714 PolarHBondContact O-OG1 3.29Å
681I93.6Very high92.3Very high24 Ų2454.2 Ų54.212%0.12330%0.295CS..  trans-146.5143.9-178.5-175170.1000113.2L630 T643 I675 L679 Y685 Y686L630-I681 HydrophobicContact CD2-CD1 3.56Å; T643-I681 HydrophobicContact CG2-CB 4.1Å; T643-I681 HydrophobicContact CG2-CD1 4.17Å; T643-I681 HydrophobicContact CG2-CG1 3.99Å; I675-I681 HydrophobicContact CD1-CG2 4.4Å; I675-I681 HydrophobicContact CG2-CG2 3.68Å; L679-I681 HydrophobicContact CD1-CB 4.49Å; L679-I681 HydrophobicContact CD2-CB 4.21Å; L679-I681 HydrophobicContact CD2-CD1 4.17Å; L679-I681 HydrophobicContact CD2-CG2 3.89Å; L679-I681 HydrophobicContact CG-CB 3.93Å; L679-I681 HydrophobicContact CG-CG2 3.75Å; I681-Y685 WeakPolarHBondContact CD1-O 3.36Å; I681-Y686 HydrophobicContact CD1-CD1 4.23Å; I681-Y686 HydrophobicContact CG1-CD1 4.1Å; I681-Y686 HydrophobicContact CG1-CE1 4.43Å; I681-Y686 HydrophobicContact CG2-CD1 4.06Å; I681-Y686 HydrophobicContact CG2-CE1 3.87Å
682V91.9Very high92.5Very high47 Ų4757 Ų5729%0.28530%0.303SS..  trans-86.8141.7175.9-177.60000110.7N684 Y685 Y686 T714V682-N684 PolarHBondContact O-N 3.03Å; V682-Y685 PolarHBondContact O-N 3.21Å; V682-Y686 WeakPolarHBondContact O-CD1 3.09Å; V682-T714 HydrophobicContact CG2-CG2 3.95Å
683K88.4Confident92.7Very high157 Ų15756.1 Ų56.168%0.68329%0.293SS*.G310 helixtrans-42.9-36.5-179.3-172.6176.4-179.7177.30115.2Y685 Y686K683-Y685 PolarHBondContact O-N 3.1Å; K683-Y686 VanDerWaalsContact CA-CE1 3.43Å; K683-Y686 HydrophobicContact CB-CE1 4.45Å; K683-Y686 HydrophobicContact CB-CE2 4.48Å; K683-Y686 HydrophobicContact CG-CE2 4.33Å; K683-Y686 PolarHBondContact O-N 3Å
684N87.4Confident92.8Very high111 Ų11152.5 Ų52.559%0.59426%0.255SS*.G310 helixtrans-70.3-15.8-177.9-65.6-18.9000114.2V682 M712V682-N684 PolarHBondContact O-N 3.03Å; N684-M712 HydrophobicContact CB-CE 3.56Å; N684-M712 HydrophobicContact CB-SD 4.24Å; N684-M712 PolarHBondContact ND2-SD 3.05Å
685Y90.6Very high92.8Very high49 Ų4951.9 Ų51.919%0.19225%0.253CS..G310 helixtrans-112.36.5178.5-74.8-55.5000114.6F616 K646 I681 V682 K683 P687 M712 H713F616-Y685 WeakPolarHBondContact CZ-O 3.33Å; K646-Y685 HydrophobicContact CB-CE1 4.46Å; I681-Y685 WeakPolarHBondContact CD1-O 3.36Å; V682-Y685 PolarHBondContact O-N 3.21Å; K683-Y685 PolarHBondContact O-N 3.1Å; Y685-P687 WeakPolarHBondContact O-CD 3.43Å; Y685-P687 VanDerWaalsContact O-N 3.08Å; Y685-M712 HydrophobicContact CD2-CB 4.45Å; Y685-M712 VanDerWaalsContact CD2-O 3.26Å; Y685-M712 WeakPolarHBondContact CD2-O 3.38Å; Y685-M712 HydrophobicContact CE2-CB 3.66Å; Y685-M712 HydrophobicContact CE2-CE 4.25Å; Y685-M712 WeakPolarHBondContact CE2-O 3.34Å; Y685-H713 AromaticContact CD2-CE1 3.66Å; Y685-H713 AromaticContact CD2-ND1 3.98Å; Y685-H713 AromaticContact CE2-CD2 3.95Å; Y685-H713 AromaticContact CE2-CE1 3.18Å; Y685-H713 WeakPolarHBondContact CE2-CE1 3.38Å; Y685-H713 AromaticContact CE2-ND1 3.72Å; Y685-H713 AromaticContact CE2-NE2 3.34Å; Y685-H713 VanDerWaalsContact CE2-NE2 3.34Å; Y685-H713 WeakPolarHBondContact CE2-NE2 3.3Å; Y685-H713 AromaticContact CZ-CE1 3.56Å; Y685-H713 AromaticContact CZ-NE2 3.45Å; Y685-H713 PolarHBondContact OH-NE2 2.9Å
686Y93.9Very high92.7Very high47 Ų4757.6 Ų57.618%0.18428%0.279CS..  trans-51.8119.5175.9-71.54.9000109.8K670 P672 I675 I681 V682 K683K670-Y686 VanDerWaalsContact CD-O 3.24Å; K670-Y686 WeakPolarHBondContact CD-O 3.33Å; K670-Y686 WeakPolarHBondContact CE-O 3.25Å; K670-Y686 WeakPolarHBondContact CG-O 3.37Å; P672-Y686 HydrophobicContact CB-CE2 3.84Å; P672-Y686 HydrophobicContact CG-CD2 4.41Å; P672-Y686 HydrophobicContact CG-CE2 3.94Å; I675-Y686 HydrophobicContact CD1-CD1 4.06Å; I675-Y686 HydrophobicContact CD1-CD2 4.42Å; I675-Y686 HydrophobicContact CD1-CE1 4.5Å; I675-Y686 HydrophobicContact CD1-CG 4.03Å; I675-Y686 HydrophobicContact CG1-CD1 4.34Å; I675-Y686 HydrophobicContact CG1-CD2 4.28Å; I675-Y686 HydrophobicContact CG1-CE1 4.33Å; I675-Y686 HydrophobicContact CG1-CE2 4.26Å; I675-Y686 HydrophobicContact CG1-CG 4.32Å; I681-Y686 HydrophobicContact CD1-CD1 4.23Å; I681-Y686 HydrophobicContact CG1-CD1 4.1Å; I681-Y686 HydrophobicContact CG1-CE1 4.43Å; I681-Y686 HydrophobicContact CG2-CD1 4.06Å; I681-Y686 HydrophobicContact CG2-CE1 3.87Å; V682-Y686 WeakPolarHBondContact O-CD1 3.09Å; K683-Y686 VanDerWaalsContact CA-CE1 3.43Å; K683-Y686 HydrophobicContact CB-CE1 4.45Å; K683-Y686 HydrophobicContact CB-CE2 4.48Å; K683-Y686 HydrophobicContact CG-CE2 4.33Å; K683-Y686 PolarHBondContact O-N 3Å
687P93.8Very high92.7Very high0 Ų056.2 Ų56.20%027%0.271CS..  trans-85.5166.2-16934.9-36.7000112.1A615 F616 L630 I668 K670 Y685 F689A615-P687 WeakPolarHBondContact O-CB 3.4Å; F616-P687 HydrophobicContact CD1-CB 4.4Å; F616-P687 HydrophobicContact CE1-CB 4.09Å; F616-P687 HydrophobicContact CE2-CB 4.47Å; F616-P687 HydrophobicContact CZ-CB 4.12Å; L630-P687 HydrophobicContact CD2-CG 4.41Å; I668-P687 HydrophobicContact CD1-CG 4.09Å; I668-P687 WeakPolarHBondContact CG1-O 3.34Å; K670-P687 WeakPolarHBondContact CA-O 3.12Å; K670-P687 PolarHBondContact N-O 2.87Å; Y685-P687 WeakPolarHBondContact O-CD 3.43Å; Y685-P687 VanDerWaalsContact O-N 3.08Å; P687-F689 VanDerWaalsContact C-N 3.31Å; P687-F689 VanDerWaalsContact CB-O 3.26Å; P687-F689 WeakPolarHBondContact CB-O 3.47Å; P687-F689 VanDerWaalsContact CG-O 3.28Å; P687-F689 WeakPolarHBondContact CG-O 3.44Å
688D92.8Very high92.8Very high12 Ų1253.4 Ų53.46%0.06425%0.25CS..SBendtrans-71.6-34.5172-67.1-67.8000110.8A615 F616 Y617 I668 S669 K670A615-D688 PolarHBondContact O-N 2.86Å; F616-D688 VanDerWaalsContact CA-OD2 3.28Å; F616-D688 WeakPolarHBondContact CA-OD2 3.44Å; Y617-D688 HydrophobicContact CD2-CB 3.76Å; Y617-D688 HydrophobicContact CE2-CB 4.15Å; Y617-D688 PolarHBondContact N-OD2 3.35Å; I668-D688 PolarHBondContact N-O 2.82Å; S669-D688 PolarHBondContact N-O 2.85Å; K670-D688 IonicContact NZ-OD1 3.34Å; K670-D688 PolarHBondContact NZ-OD1 3.41Å; K670-D688 IonicContact NZ-OD2 3.44Å; K670-D688 PolarHBondContact NZ-OD2 2.99Å
689F94.8Very high92.9Very high26 Ų2650.7 Ų50.711%0.11424%0.24CC..EExtended strand (participates in β ladder)trans-131.7146.5-178.1-59-90.3000110.5G614 A615 Y617 M626 V665 I666 K667 P687G614-F689 CarbonylContact C-O 3.2Å; G614-F689 WeakPolarHBondContact CA-O 3.44Å; A615-F689 HydrophobicContact CB-CB 4.22Å; A615-F689 HydrophobicContact CB-CD2 4.46Å; A615-F689 PolarHBondContact N-O 3.15Å; A615-F689 PolarHBondContact O-N 2.7Å; Y617-F689 HydrophobicContact CD1-CE2 4.02Å; Y617-F689 HydrophobicContact CD1-CZ 4.46Å; Y617-F689 HydrophobicContact CD2-CE2 4.12Å; Y617-F689 AromaticContact CE1-CE2 3.72Å; Y617-F689 HydrophobicContact CE1-CE2 3.72Å; Y617-F689 AromaticContact CE1-CZ 3.71Å; Y617-F689 HydrophobicContact CE1-CZ 3.71Å; Y617-F689 AromaticContact CE2-CE2 3.82Å; Y617-F689 HydrophobicContact CE2-CE2 3.82Å; Y617-F689 AromaticContact CE2-CZ 4Å; Y617-F689 HydrophobicContact CE2-CZ 4Å; Y617-F689 HydrophobicContact CG-CE2 4.22Å; Y617-F689 AromaticContact CZ-CE2 3.63Å; Y617-F689 AromaticContact CZ-CZ 3.45Å; Y617-F689 VanDerWaalsContact CZ-CZ 3.45Å; Y617-F689 WeakPolarHBondContact OH-CZ 3.34Å; M626-F689 HydrophobicContact CG-CD2 3.65Å; M626-F689 HydrophobicContact CG-CE2 3.66Å; M626-F689 HydrophobicContact CG-CG 4.24Å; M626-F689 HydrophobicContact CG-CZ 4.25Å; M626-F689 HydrophobicContact SD-CB 4.2Å; M626-F689 HydrophobicContact SD-CD1 4.32Å; M626-F689 HydrophobicContact SD-CD2 3.95Å; M626-F689 HydrophobicContact SD-CE2 4.37Å; M626-F689 HydrophobicContact SD-CG 3.92Å; V665-F689 HydrophobicContact CB-CB 4.06Å; V665-F689 HydrophobicContact CB-CD1 4.36Å; V665-F689 HydrophobicContact CG1-CB 4.27Å; V665-F689 HydrophobicContact CG2-CB 4.38Å; V665-F689 HydrophobicContact CG2-CD1 3.91Å; V665-F689 HydrophobicContact CG2-CG 4.42Å; I666-F689 CarbonylContact O-C 3.56Å; I666-F689 WeakPolarHBondContact O-CA 3.43Å; K667-F689 HydrophobicContact CB-CD1 3.87Å; K667-F689 HydrophobicContact CB-CE1 3.86Å; K667-F689 HydrophobicContact CD-CE1 4.23Å; K667-F689 HydrophobicContact CD-CZ 4.49Å; K667-F689 HydrophobicContact CG-CD1 4.28Å; K667-F689 HydrophobicContact CG-CE1 4.08Å; P687-F689 VanDerWaalsContact C-N 3.31Å; P687-F689 VanDerWaalsContact CB-O 3.26Å; P687-F689 WeakPolarHBondContact CB-O 3.47Å; P687-F689 VanDerWaalsContact CG-O 3.28Å; P687-F689 WeakPolarHBondContact CG-O 3.44Å
690I95.8Very high92.9Very high4 Ų450.2 Ų50.22%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-124.8147171.3-158.9178000109.5L613 V665 I666 I668 P676 W678 L679L613-I690 WeakPolarHBondContact O-CG1 3.43Å; V665-I690 CarbonylContact C-O 3.49Å; V665-I690 VanDerWaalsContact CA-O 3.25Å; V665-I690 WeakPolarHBondContact CA-O 3.01Å; I666-I690 HydrophobicContact CB-CG2 4.28Å; I666-I690 PolarHBondContact N-O 2.7Å; I666-I690 PolarHBondContact O-N 2.77Å; I668-I690 HydrophobicContact CD1-CB 4.16Å; I668-I690 HydrophobicContact CD1-CG2 4.38Å; I668-I690 HydrophobicContact CG2-CG2 3.83Å; P676-I690 HydrophobicContact CG-CD1 3.74Å; W678-I690 HydrophobicContact CH2-CD1 3.69Å; W678-I690 HydrophobicContact CH2-CG1 3.92Å; W678-I690 HydrophobicContact CZ2-CD1 3.86Å; W678-I690 HydrophobicContact CZ2-CG1 4.26Å; W678-I690 HydrophobicContact CZ3-CD1 4.44Å; L679-I690 HydrophobicContact CD2-CD1 3.71Å; L679-I690 HydrophobicContact CD2-CG1 4.48Å
691I94.8Very high92.9Very high7 Ų748.1 Ų48.14%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-67.1142.2173.7-64.4-73.8000109.4V612 L613 L663 D664 V665 D693 A697V612-I691 HydrophobicContact CG1-CD1 4.23Å; V612-I691 HydrophobicContact CG1-CG1 4.07Å; L613-I691 PolarHBondContact O-N 3.48Å; L663-I691 HydrophobicContact CB-CD1 4.13Å; L663-I691 HydrophobicContact CD2-CD1 4.14Å; D664-I691 WeakPolarHBondContact O-CA 3.47Å; V665-I691 HydrophobicContact CG1-CD1 3.64Å; V665-I691 HydrophobicContact CG1-CG1 4.39Å; I691-D693 WeakPolarHBondContact CG2-O 3.14Å; I691-A697 HydrophobicContact CG2-CB 4.1Å
692R92.4Very high93Very high133 Ų13347 Ų4750%0.50222%0.223SC..SBendtrans-63-51.4179.3-177-177.5-45.9-74.5-15.6112.3D664 I666D664-R692 VanDerWaalsContact CG-NE 3.28Å; D664-R692 PolarHBondContact O-N 3.03Å; D664-R692 IonicContact OD1-CZ 3.5Å; D664-R692 IonicContact OD1-NE 3.63Å; D664-R692 PolarHBondContact OD1-NE 3.11Å; D664-R692 VanDerWaalsContact OD1-NE 3.08Å; D664-R692 IonicContact OD1-NH2 2.86Å; D664-R692 PolarHBondContact OD1-NH2 2.98Å; D664-R692 WeakPolarHBondContact OD2-CB 3.25Å; D664-R692 VanDerWaalsContact OD2-CD 3.24Å; D664-R692 WeakPolarHBondContact OD2-CD 3.48Å; D664-R692 IonicContact OD2-CZ 3.29Å; D664-R692 IonicContact OD2-NE 3.11Å; D664-R692 PolarHBondContact OD2-NE 3.3Å; D664-R692 IonicContact OD2-NH2 2.81Å; I666-R692 HydrophobicContact CD1-CB 4.32Å; I666-R692 HydrophobicContact CD1-CG 4.21Å; I666-R692 HydrophobicContact CG1-CB 4.4Å
693D92.6Very high92.8Very high67 Ų6745.6 Ų45.636%0.35821%0.214SC..  trans-129109.5179-176.4-1.1000109.9I691 E695 Q696 A697I691-D693 WeakPolarHBondContact CG2-O 3.14Å; D693-E695 PolarHBondContact O-N 3.14Å; D693-E695 WeakPolarHBondContact OD1-CB 3.18Å; D693-E695 PolarHBondContact OD1-N 2.61Å; D693-Q696 HydrophobicContact CB-CB 4.46Å; D693-Q696 HydrophobicContact CB-CG 4.35Å; D693-Q696 PolarHBondContact O-N 2.85Å; D693-Q696 VanDerWaalsContact O-N 3.11Å; D693-A697 PolarHBondContact O-N 2.8Å
694P91Very high92.7Very high7 Ų738.3 Ų38.35%0.04518%0.184CC..THydrogen-bonded Turntrans-68.5-12.9178.331.5-36.8000113.3L613 W641 W678 Q696 A697L613-P694 HydrophobicContact CD2-CB 4.1Å; W641-P694 HydrophobicContact CD2-CB 4.15Å; W641-P694 HydrophobicContact CG-CB 4.3Å; W641-P694 HydrophobicContact CG-CG 4.39Å; W641-P694 HydrophobicContact CZ2-CB 4.19Å; W678-P694 HydrophobicContact CD2-CG 4.04Å; W678-P694 HydrophobicContact CE3-CG 3.97Å; W678-P694 HydrophobicContact CH2-CB 4.1Å; W678-P694 HydrophobicContact CH2-CG 3.96Å; W678-P694 HydrophobicContact CZ2-CG 4.01Å; W678-P694 HydrophobicContact CZ3-CB 4.09Å; W678-P694 HydrophobicContact CZ3-CG 3.93Å; P694-Q696 VanDerWaalsContact C-N 3.35Å; P694-A697 WeakPolarHBondContact O-CB 3.34Å
695E92.1Very high92.2Very high87 Ų8734.1 Ų34.141%0.40717%0.165SC..THydrogen-bonded Turntrans-78.4-18171.1-65.2-163.1-15500113D693 W734D693-E695 PolarHBondContact O-N 3.14Å; D693-E695 WeakPolarHBondContact OD1-CB 3.18Å; D693-E695 PolarHBondContact OD1-N 2.61Å; E695-W734 HydrophobicContact CB-CD2 4.48Å; E695-W734 HydrophobicContact CB-CG 4.16Å; E695-W734 VanDerWaalsContact CD-CE2 3.42Å; E695-W734 HydrophobicContact CG-CD2 3.99Å; E695-W734 HydrophobicContact CG-CG 4.17Å; E695-W734 HydrophobicContact CG-CZ2 3.92Å; E695-W734 WeakPolarHBondContact OE2-CZ2 3.36Å; E695-W734 PolarHBondContact OE2-NE1 3.26Å
696Q91.3Very high91.8Very high153 Ų15335.3 Ų35.372%0.71517%0.172SC*.SBendtrans-104.57171.8-54.9-54-54.500112.7D693 P694D693-Q696 HydrophobicContact CB-CB 4.46Å; D693-Q696 HydrophobicContact CB-CG 4.35Å; D693-Q696 PolarHBondContact O-N 2.85Å; D693-Q696 VanDerWaalsContact O-N 3.11Å; P694-Q696 VanDerWaalsContact C-N 3.35Å
697A92.7Very high91.5Very high9 Ų933.6 Ų33.67%0.07417%0.166CC..SBendtrans-73.6143.717900000111.9V611 V612 I691 D693 P694V611-A697 HydrophobicContact CG1-CB 3.5Å; V612-A697 VanDerWaalsContact O-CB 3.26Å; V612-A697 WeakPolarHBondContact O-CB 3.45Å; I691-A697 HydrophobicContact CG2-CB 4.1Å; D693-A697 PolarHBondContact O-N 2.8Å; P694-A697 WeakPolarHBondContact O-CB 3.34Å
698P94.4Very high91.1Very high42 Ų4235.1 Ų35.127%0.27318%0.177SC..PPolyproline II helixtrans-67.4140.6176.927.9-34000111.5V612 L663V612-P698 HydrophobicContact CB-CG 4.35Å; V612-P698 HydrophobicContact CG2-CG 4Å; V612-P698 PolarHBondContact N-O 2.92Å; L663-P698 HydrophobicContact CD2-CG 3.62Å
699V96.9Very high90.7Very high2 Ų241.7 Ų41.71%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-87.7133171.3-174.20000109D609 V611 R729 K732 D733 A737D609-V699 HydrophobicContact CB-CG1 3.93Å; V611-V699 HydrophobicContact CG2-CG2 4.44Å; V699-R729 HydrophobicContact CB-CB 4.13Å; V699-R729 HydrophobicContact CG1-CB 4.13Å; V699-R729 HydrophobicContact CG1-CG 4.49Å; V699-R729 WeakPolarHBondContact O-CB 3.37Å; V699-R729 PolarHBondContact O-N 3.25Å; V699-K732 HydrophobicContact CB-CB 4.02Å; V699-K732 HydrophobicContact CG1-CB 4Å; V699-K732 HydrophobicContact CG1-CD 4.42Å; V699-K732 HydrophobicContact CG2-CB 4.13Å; V699-K732 WeakPolarHBondContact CG2-O 3.13Å; V699-D733 WeakPolarHBondContact CG2-O 3.5Å; V699-A737 HydrophobicContact CG1-CB 3.81Å; V699-A737 HydrophobicContact CG2-CB 4.05Å
700W96Very high90Very high2 Ų242.3 Ų42.31%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-128.3133.2-176.1-73.8-7.2000110.9L610 V612 F629 M631 L659 I702 M725L610-W700 PolarHBondContact N-O 3.05Å; L610-W700 PolarHBondContact O-N 2.81Å; V612-W700 HydrophobicContact CG2-CD2 3.39Å; V612-W700 HydrophobicContact CG2-CE3 3.33Å; V612-W700 HydrophobicContact CG2-CG 4.13Å; V612-W700 HydrophobicContact CG2-CH2 3.73Å; V612-W700 HydrophobicContact CG2-CZ2 3.73Å; V612-W700 HydrophobicContact CG2-CZ3 3.54Å; F629-W700 HydrophobicContact CB-CH2 4.22Å; F629-W700 HydrophobicContact CB-CZ3 3.61Å; F629-W700 AromaticContact CD1-CH2 3.9Å; F629-W700 HydrophobicContact CD1-CH2 3.9Å; F629-W700 HydrophobicContact CD1-CZ3 4.17Å; F629-W700 AromaticContact CD2-CH2 3.63Å; F629-W700 HydrophobicContact CD2-CH2 3.63Å; F629-W700 AromaticContact CD2-CZ3 3.57Å; F629-W700 HydrophobicContact CD2-CZ3 3.57Å; F629-W700 HydrophobicContact CE1-CH2 4.19Å; F629-W700 AromaticContact CE2-CH2 3.92Å; F629-W700 HydrophobicContact CE2-CH2 3.92Å; F629-W700 HydrophobicContact CE2-CZ3 4.3Å; F629-W700 AromaticContact CG-CH2 3.62Å; F629-W700 HydrophobicContact CG-CH2 3.62Å; F629-W700 AromaticContact CG-CZ3 3.49Å; F629-W700 HydrophobicContact CG-CZ3 3.49Å; F629-W700 VanDerWaalsContact CG-CZ3 3.49Å; F629-W700 HydrophobicContact CZ-CH2 4.2Å; M631-W700 HydrophobicContact CE-CB 3.9Å; M631-W700 HydrophobicContact CE-CD2 4.19Å; M631-W700 HydrophobicContact CE-CE3 3.63Å; M631-W700 HydrophobicContact CE-CG 4.34Å; M631-W700 HydrophobicContact SD-CE3 3.57Å; M631-W700 VanDerWaalsContact SD-CE3 3.57Å; M631-W700 HydrophobicContact SD-CZ3 3.97Å; L659-W700 HydrophobicContact CD1-CH2 3.79Å; L659-W700 HydrophobicContact CD1-CZ2 3.68Å; L659-W700 HydrophobicContact CD2-CZ2 3.73Å; L659-W700 HydrophobicContact CG-CZ2 4.35Å; W700-I702 HydrophobicContact CB-CD1 4.3Å; W700-I702 PolarHBondContact O-N 3.2Å; W700-M725 HydrophobicContact CB-CE 3.64Å; W700-M725 HydrophobicContact CB-SD 3.67Å; W700-M725 HydrophobicContact CD2-CE 3.39Å; W700-M725 HydrophobicContact CD2-SD 4.04Å; W700-M725 HydrophobicContact CE3-CE 3.1Å; W700-M725 HydrophobicContact CE3-SD 4.33Å; W700-M725 HydrophobicContact CG-CE 3.66Å; W700-M725 HydrophobicContact CG-SD 3.77Å; W700-M725 HydrophobicContact CZ3-CE 3.84Å
701E94.4Very high89.4Confident24 Ų2451.4 Ų51.411%0.11225%0.254CS..EExtended strand (participates in β ladder)trans-76117.4171.1-170.1-178.178.400109.2T726 R727 R729E701-T726 WeakPolarHBondContact CG-OG1 3.35Å; E701-T726 PolarHBondContact O-N 3.43Å; E701-T726 VanDerWaalsContact O-N 3.16Å; E701-T726 PolarHBondContact O-OG1 3.21Å; E701-T726 WeakPolarHBondContact OE1-CB 3.41Å; E701-T726 PolarHBondContact OE1-OG1 3.28Å; E701-R727 HydrophobicContact CB-CG 3.66Å; E701-R727 VanDerWaalsContact CD-NE 3.27Å; E701-R727 HydrophobicContact CG-CG 4.41Å; E701-R727 PolarHBondContact N-O 3.47Å; E701-R727 IonicContact OE1-NE 2.79Å; E701-R727 PolarHBondContact OE1-NE 2.96Å; E701-R727 IonicContact OE2-CZ 3.47Å; E701-R727 IonicContact OE2-NE 2.69Å; E701-R727 PolarHBondContact OE2-NE 2.68Å; E701-R727 IonicContact OE2-NH2 2.78Å; E701-R727 PolarHBondContact OE2-NH2 2.88Å; E701-R729 HydrophobicContact CB-CG 4.18Å; E701-R729 IonicContact OE2-NH1 3.2Å
702I94.1Very high89Confident0 Ų054.2 Ų54.20%027%0.268CS..EExtended strand (participates in β ladder)trans-106.5116.1176.8-54.9-59000108.9T607 A608 L610 M631 T645 C647 W700 I720 P723 R724 M725T607-I702 WeakPolarHBondContact CA-O 3.39Å; A608-I702 PolarHBondContact N-O 3.31Å; A608-I702 PolarHBondContact O-N 3.08Å; L610-I702 HydrophobicContact CB-CG1 4.12Å; L610-I702 HydrophobicContact CD1-CB 4.22Å; L610-I702 HydrophobicContact CD1-CG1 4.06Å; L610-I702 HydrophobicContact CG-CG1 4.35Å; M631-I702 HydrophobicContact CE-CD1 4.17Å; M631-I702 HydrophobicContact CE-CG1 4.26Å; M631-I702 HydrophobicContact CG-CD1 4.04Å; M631-I702 HydrophobicContact CG-CG1 4.13Å; M631-I702 HydrophobicContact SD-CD1 4.4Å; T645-I702 HydrophobicContact CG2-CG2 4.22Å; C647-I702 HydrophobicContact CB-CD1 4.22Å; W700-I702 HydrophobicContact CB-CD1 4.3Å; W700-I702 PolarHBondContact O-N 3.2Å; I702-I720 HydrophobicContact CB-CD1 4.17Å; I702-I720 HydrophobicContact CG2-CD1 3.74Å; I702-P723 HydrophobicContact CG2-CB 3.78Å; I702-R724 WeakPolarHBondContact CA-O 3.37Å; I702-M725 HydrophobicContact CD1-CE 3.45Å; I702-M725 VanDerWaalsContact CD1-CE 3.45Å; I702-M725 HydrophobicContact CD1-SD 4.44Å
703T89.1Confident89.1Confident18 Ų1848.2 Ų48.211%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-98.4142.7174.4-59.30000110.7A605 T607 P723 R724 T726A605-T703 HydrophobicContact CB-CG2 3.41Å; A605-T703 VanDerWaalsContact CB-CG2 3.41Å; T607-T703 HydrophobicContact CG2-CG2 4.11Å; T607-T703 VanDerWaalsContact CG2-OG1 3.29Å; T607-T703 WeakPolarHBondContact CG2-OG1 3.38Å; T703-P723 CarbonylContact O-C 3.48Å; T703-P723 WeakPolarHBondContact O-CA 3.16Å; T703-R724 PolarHBondContact N-O 3.2Å; T703-R724 PolarHBondContact O-N 3.42Å; T703-T726 HydrophobicContact CG2-CG2 4.49Å; T703-T726 WeakPolarHBondContact OG1-CG2 3.36Å; T703-T726 PolarHBondContact OG1-OG1 3.46Å
704G85.2Confident89.1Confident4 Ų446.8 Ų46.84%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-134-178.2172.900000113.8D606 I720 R721D606-G704 PolarHBondContact O-N 3.15Å; G704-I720 VanDerWaalsContact CA-CG2 3.5Å; G704-R721 WeakPolarHBondContact CA-O 3.49Å
705A78.1Confident89.2Confident24 Ų2446.4 Ų46.420%0.19824%0.237CC..SBendtrans-82.7-31.7171.800000112.6R721 F722A705-R721 PolarHBondContact N-O 2.83Å; A705-F722 HydrophobicContact CB-CD2 4.13Å
706E81.6Confident89.2Confident74 Ų7446 Ų4635%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-165.1159.7176.859.6-180179.100109.7R721E706-R721 HydrophobicContact CG-CB 3.7Å; E706-R721 HydrophobicContact CG-CG 4.36Å; E706-R721 PolarHBondContact O-N 3.28Å; E706-R721 WeakPolarHBondContact OE1-CD 3.21Å; E706-R721 IonicContact OE1-CZ 3.55Å; E706-R721 IonicContact OE1-NE 3.43Å; E706-R721 IonicContact OE1-NH1 3.69Å; E706-R721 PolarHBondContact OE1-NH1 2.93Å; E706-R721 IonicContact OE2-NH1 2.67Å
707F87.4Confident89.1Confident11 Ų1139.3 Ų39.35%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-82.9141.9159.9-63.8-80.4000110.8D606 A608 I718 I720 L743 L746 F747D606-F707 HydrophobicContact CB-CD2 4Å; D606-F707 HydrophobicContact CB-CE2 3.78Å; A608-F707 HydrophobicContact CB-CE1 4.18Å; A608-F707 HydrophobicContact CB-CZ 4.19Å; F707-I718 HydrophobicContact CD1-CG2 4.32Å; F707-I720 HydrophobicContact CD1-CG1 3.88Å; F707-I720 HydrophobicContact CE1-CD1 4.12Å; F707-I720 HydrophobicContact CE1-CG1 3.85Å; F707-L743 HydrophobicContact CD1-CD1 4.15Å; F707-L743 HydrophobicContact CE1-CD1 3.66Å; F707-L743 HydrophobicContact CZ-CD1 4.4Å; F707-L746 HydrophobicContact CE2-CB 3.95Å; F707-L746 HydrophobicContact CZ-CB 4.09Å; F707-L746 HydrophobicContact CZ-CD1 4.32Å; F707-F747 HydrophobicContact CB-CB 4.42Å; F707-F747 HydrophobicContact CB-CD2 3.76Å
708S85.4Confident89.1Confident32 Ų3239 Ų3922%0.22421%0.207CC..EExtended strand (participates in β ladder)trans-139.1164.2-168.966.20000111.3I718 S719S708-I718 WeakPolarHBondContact O-CA 3.2Å; S708-S719 PolarHBondContact N-O 3.5Å; S708-S719 PolarHBondContact O-N 2.62Å; S708-S719 PolarHBondContact OG-O 3.17Å
709K85Confident89.1Confident149 Ų14937.5 Ų37.565%0.64820%0.197SC*.EExtended strand (participates in β ladder)trans-106.1134.9172-76.8-163.4171.1-165.40112.4G717 F747K709-G717 CarbonylContact C-O 3.57Å; K709-G717 VanDerWaalsContact CA-O 3.3Å; K709-G717 WeakPolarHBondContact CA-O 3.33Å; K709-F747 HydrophobicContact CD-CZ 4.17Å; K709-F747 HydrophobicContact CG-CE2 4.17Å; K709-F747 HydrophobicContact CG-CZ 3.82Å
710S79.6Confident88.7Confident39 Ų3937.7 Ų37.727%0.27320%0.198SC..  trans-154.4116.9-176.6179.60000110.3M712 H713 G717S710-M712 PolarHBondContact O-N 2.65Å; S710-H713 PolarHBondContact O-N 3.04Å; S710-H713 VanDerWaalsContact O-N 3.16Å; S710-G717 PolarHBondContact N-O 3.45Å; S710-G717 VanDerWaalsContact O-CA 3.26Å; S710-G717 WeakPolarHBondContact O-CA 3.17Å
711E84Confident88.3Confident195 Ų19539.7 Ų39.791%0.91121%0.206SC*.THydrogen-bonded Turntrans-59.9-12177.8-65.3164.7-16800114H713E711-H713 VanDerWaalsContact C-N 3.29Å; E711-H713 PolarHBondContact O-N 2.85Å
712M86.6Confident87.9Confident66 Ų6644.7 Ų44.733%0.32523%0.227SC..THydrogen-bonded Turntrans-77.1-13.8179-62.1-88.4-71.400113.1N684 Y685 S710N684-M712 HydrophobicContact CB-CE 3.56Å; N684-M712 HydrophobicContact CB-SD 4.24Å; N684-M712 PolarHBondContact ND2-SD 3.05Å; Y685-M712 HydrophobicContact CD2-CB 4.45Å; Y685-M712 VanDerWaalsContact CD2-O 3.26Å; Y685-M712 WeakPolarHBondContact CD2-O 3.38Å; Y685-M712 HydrophobicContact CE2-CB 3.66Å; Y685-M712 HydrophobicContact CE2-CE 4.25Å; Y685-M712 WeakPolarHBondContact CE2-O 3.34Å; S710-M712 PolarHBondContact O-N 2.65Å
713H92.8Very high87.8Confident8 Ų846.1 Ų46.14%0.03724%0.236CC..SBendtrans-114.3144.9-178.8-77.3-60.2000112.2V644 Y685 S710 E711 G717 S719V644-H713 PolarHBondContact O-CD2 3.2Å; V644-H713 VanDerWaalsContact O-CD2 3.31Å; V644-H713 VanDerWaalsContact O-CG 3.29Å; Y685-H713 AromaticContact CD2-CE1 3.66Å; Y685-H713 AromaticContact CD2-ND1 3.98Å; Y685-H713 AromaticContact CE2-CD2 3.95Å; Y685-H713 AromaticContact CE2-CE1 3.18Å; Y685-H713 WeakPolarHBondContact CE2-CE1 3.38Å; Y685-H713 AromaticContact CE2-ND1 3.72Å; Y685-H713 AromaticContact CE2-NE2 3.34Å; Y685-H713 VanDerWaalsContact CE2-NE2 3.34Å; Y685-H713 WeakPolarHBondContact CE2-NE2 3.3Å; Y685-H713 AromaticContact CZ-CE1 3.56Å; Y685-H713 AromaticContact CZ-NE2 3.45Å; Y685-H713 PolarHBondContact OH-NE2 2.9Å; S710-H713 PolarHBondContact O-N 3.04Å; S710-H713 VanDerWaalsContact O-N 3.16Å; E711-H713 VanDerWaalsContact C-N 3.29Å; E711-H713 PolarHBondContact O-N 2.85Å; H713-G717 WeakPolarHBondContact O-CA 3.27Å; H713-G717 PolarHBondContact O-N 2.69Å; H713-S719 PolarHBondContact CD2-OG 3.08Å
714T94Very high87.8Confident36 Ų3652 Ų5222%0.22126%0.257CS..THydrogen-bonded Turntrans-96-6.6-16646.20000114.5T643 K680 V682 D716T643-T714 PolarHBondContact N-OG1 3.34Å; T643-T714 PolarHBondContact O-N 3.33Å; T643-T714 VanDerWaalsContact O-N 3.08Å; T643-T714 PolarHBondContact OG1-N 2.89Å; T643-T714 PolarHBondContact OG1-OG1 2.65Å; K680-T714 HydrophobicContact CB-CG2 4.3Å; K680-T714 WeakPolarHBondContact O-CB 3.42Å; K680-T714 PolarHBondContact O-OG1 3.29Å; V682-T714 HydrophobicContact CG2-CG2 3.95Å; T714-D716 PolarHBondContact O-N 3.02Å
715A93.6Very high88.1Confident0 Ų052.4 Ų52.40%026%0.257CS..THydrogen-bonded Turntrans-78.864.7170.900000111.5C642 T643 V644 G717 I718 L740 L743C642-A715 HydrophobicContact CB-CB 3.92Å; T643-A715 PolarHBondContact O-N 2.93Å; T643-A715 VanDerWaalsContact O-N 3.14Å; V644-A715 HydrophobicContact CG2-CB 3.65Å; A715-G717 PolarHBondContact O-N 3.24Å; A715-G717 VanDerWaalsContact O-N 3.1Å; A715-I718 WeakPolarHBondContact O-CB 3.15Å; A715-I718 WeakPolarHBondContact O-CG1 3.4Å; A715-I718 PolarHBondContact O-N 2.67Å; A715-L740 HydrophobicContact CB-CD1 3.73Å; A715-L743 HydrophobicContact CB-CD2 3.94Å
716D90.9Very high88.6Confident78 Ų7854.8 Ų54.842%0.41727%0.27SS..THydrogen-bonded Turntrans53.128.5-173.8-55.1-38.6000114.4T714 I718 R744T714-D716 PolarHBondContact O-N 3.02Å; D716-I718 PolarHBondContact O-N 3.21Å; D716-R744 IonicContact OD1-NH2 3.77Å; D716-R744 IonicContact OD2-CZ 3.65Å; D716-R744 IonicContact OD2-NE 2.77Å; D716-R744 PolarHBondContact OD2-NE 2.96Å; D716-R744 IonicContact OD2-NH2 2.73Å; D716-R744 PolarHBondContact OD2-NH2 2.91Å
717G89.6Confident89Confident12 Ų1256.8 Ų56.812%0.12427%0.274CS..THydrogen-bonded Turntrans73.13.7-172.600000115K709 S710 H713 A715K709-G717 CarbonylContact C-O 3.57Å; K709-G717 VanDerWaalsContact CA-O 3.3Å; K709-G717 WeakPolarHBondContact CA-O 3.33Å; S710-G717 PolarHBondContact N-O 3.45Å; S710-G717 VanDerWaalsContact O-CA 3.26Å; S710-G717 WeakPolarHBondContact O-CA 3.17Å; H713-G717 WeakPolarHBondContact O-CA 3.27Å; H713-G717 PolarHBondContact O-N 2.69Å; A715-G717 PolarHBondContact O-N 3.24Å; A715-G717 VanDerWaalsContact O-N 3.1Å
718I93.1Very high89.2Confident4 Ų457.5 Ų57.52%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-71.6132.1178.2-54.7172.1000109.7F707 S708 A715 D716 L743 R744 F747F707-I718 HydrophobicContact CD1-CG2 4.32Å; S708-I718 WeakPolarHBondContact O-CA 3.2Å; A715-I718 WeakPolarHBondContact O-CB 3.15Å; A715-I718 WeakPolarHBondContact O-CG1 3.4Å; A715-I718 PolarHBondContact O-N 2.67Å; D716-I718 PolarHBondContact O-N 3.21Å; I718-L743 HydrophobicContact CB-CD2 4.17Å; I718-L743 HydrophobicContact CB-CG 4.35Å; I718-L743 HydrophobicContact CD1-CG 4.24Å; I718-L743 HydrophobicContact CG2-CD1 4.22Å; I718-L743 HydrophobicContact CG2-CD2 4.13Å; I718-L743 HydrophobicContact CG2-CG 3.94Å; I718-R744 HydrophobicContact CD1-CG 4.24Å; I718-F747 HydrophobicContact CD1-CB 4.09Å; I718-F747 HydrophobicContact CD1-CG 4.4Å; I718-F747 HydrophobicContact CG1-CG 4.49Å; I718-F747 HydrophobicContact CG2-CB 4.29Å; I718-F747 HydrophobicContact CG2-CD2 4.42Å
719S93.2Very high89.6Confident9 Ų957 Ų576%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-148.4160.7178.1-163.50000112.5V644 S708 H713V644-S719 VanDerWaalsContact O-CA 3.29Å; V644-S719 WeakPolarHBondContact O-CA 3.46Å; V644-S719 VanDerWaalsContact O-CB 3.22Å; V644-S719 WeakPolarHBondContact O-CB 3.2Å; V644-S719 PolarHBondContact O-OG 2.9Å; S708-S719 PolarHBondContact N-O 3.5Å; S708-S719 PolarHBondContact O-N 2.62Å; S708-S719 PolarHBondContact OG-O 3.17Å; H713-S719 PolarHBondContact CD2-OG 3.08Å
720I90.3Very high90Very high7 Ų756.9 Ų56.94%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-101.6125.5-173.9-60.4175000109.9A608 L610 V644 T645 I702 G704 F707 P723A608-I720 HydrophobicContact CB-CD1 4.28Å; L610-I720 HydrophobicContact CD1-CD1 3.87Å; V644-I720 HydrophobicContact CG1-CD1 4.36Å; V644-I720 HydrophobicContact CG1-CG1 4.29Å; T645-I720 HydrophobicContact CG2-CB 4.36Å; T645-I720 HydrophobicContact CG2-CD1 4.31Å; I702-I720 HydrophobicContact CB-CD1 4.17Å; I702-I720 HydrophobicContact CG2-CD1 3.74Å; G704-I720 VanDerWaalsContact CA-CG2 3.5Å; F707-I720 HydrophobicContact CD1-CG1 3.88Å; F707-I720 HydrophobicContact CE1-CD1 4.12Å; F707-I720 HydrophobicContact CE1-CG1 3.85Å; I720-P723 HydrophobicContact CB-CB 4.32Å; I720-P723 HydrophobicContact CG2-CB 4.07Å; I720-P723 WeakPolarHBondContact O-CD 3.41Å
721R86.6Confident90.7Very high43 Ų4360.1 Ų60.116%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-80126.7177.4-171.7175.5175.4-165.6-3.9110.3D428 G704 A705 E706D428-R721 VanDerWaalsContact CG-NH2 3.32Å; D428-R721 IonicContact OD1-NH2 3.89Å; D428-R721 PolarHBondContact OD1-NH2 2.88Å; D428-R721 IonicContact OD2-CZ 3.18Å; D428-R721 VanDerWaalsContact OD2-CZ 3.3Å; D428-R721 IonicContact OD2-NH1 2.69Å; D428-R721 PolarHBondContact OD2-NH1 2.86Å; D428-R721 IonicContact OD2-NH2 2.84Å; D428-R721 PolarHBondContact OD2-NH2 2.73Å; G704-R721 WeakPolarHBondContact CA-O 3.49Å; A705-R721 PolarHBondContact N-O 2.83Å; E706-R721 HydrophobicContact CG-CB 3.7Å; E706-R721 HydrophobicContact CG-CG 4.36Å; E706-R721 PolarHBondContact O-N 3.28Å; E706-R721 WeakPolarHBondContact OE1-CD 3.21Å; E706-R721 IonicContact OE1-CZ 3.55Å; E706-R721 IonicContact OE1-NE 3.43Å; E706-R721 IonicContact OE1-NH1 3.69Å; E706-R721 PolarHBondContact OE1-NH1 2.93Å; E706-R721 IonicContact OE2-NH1 2.67Å
722F85.9Confident91.2Very high130 Ų13053.8 Ų53.857%0.5726%0.262SS*.SBendtrans54.655.4-175.2-52.8-56.9000114.6A705A705-F722 HydrophobicContact CB-CD2 4.13Å
723P91.4Very high91.5Very high29 Ų2953.7 Ų53.719%0.18826%0.262CS..  trans-64.9142.6-174.232.7-38.5000112.1T645 K646 I702 T703 I720T645-P723 HydrophobicContact CG2-CB 3.95Å; T645-P723 HydrophobicContact CG2-CG 4.38Å; T645-P723 WeakPolarHBondContact OG1-CG 3.34Å; K646-P723 WeakPolarHBondContact O-CG 3.26Å; I702-P723 HydrophobicContact CG2-CB 3.78Å; T703-P723 CarbonylContact O-C 3.48Å; T703-P723 WeakPolarHBondContact O-CA 3.16Å; I720-P723 HydrophobicContact CB-CB 4.32Å; I720-P723 HydrophobicContact CG2-CB 4.07Å; I720-P723 WeakPolarHBondContact O-CD 3.41Å
724R90.7Very high91.5Very high143 Ų14355 Ų5554%0.5427%0.267SS..EExtended strand (participates in β ladder)trans-140.9149.3177.1-59.1175.1-171.7-121.1-4.3110.5G649 I702 T703G649-R724 WeakPolarHBondContact O-CA 3.25Å; I702-R724 WeakPolarHBondContact CA-O 3.37Å; T703-R724 PolarHBondContact N-O 3.2Å; T703-R724 PolarHBondContact O-N 3.42Å
725M91.6Very high91.5Very high11 Ų1159.9 Ų59.95%0.05429%0.285CS..EExtended strand (participates in β ladder)trans-64.2133.3157.4-16354.243.600109.9G649 G650 Y651 W700 I702G649-M725 PolarHBondContact O-N 2.64Å; G650-M725 WeakPolarHBondContact CA-O 3.29Å; Y651-M725 HydrophobicContact CD1-CB 4.14Å; W700-M725 HydrophobicContact CB-CE 3.64Å; W700-M725 HydrophobicContact CB-SD 3.67Å; W700-M725 HydrophobicContact CD2-CE 3.39Å; W700-M725 HydrophobicContact CD2-SD 4.04Å; W700-M725 HydrophobicContact CE3-CE 3.1Å; W700-M725 HydrophobicContact CE3-SD 4.33Å; W700-M725 HydrophobicContact CG-CE 3.66Å; W700-M725 HydrophobicContact CG-SD 3.77Å; W700-M725 HydrophobicContact CZ3-CE 3.84Å; I702-M725 HydrophobicContact CD1-CE 3.45Å; I702-M725 VanDerWaalsContact CD1-CE 3.45Å; I702-M725 HydrophobicContact CD1-SD 4.44Å
726T88.3Confident91.5Very high75 Ų7563.3 Ų63.346%0.4631%0.306SS..EExtended strand (participates in β ladder)trans-108.6-45.3159.738.90000111.3E701 T703E701-T726 WeakPolarHBondContact CG-OG1 3.35Å; E701-T726 PolarHBondContact O-N 3.43Å; E701-T726 VanDerWaalsContact O-N 3.16Å; E701-T726 PolarHBondContact O-OG1 3.21Å; E701-T726 WeakPolarHBondContact OE1-CB 3.41Å; E701-T726 PolarHBondContact OE1-OG1 3.28Å; T703-T726 HydrophobicContact CG2-CG2 4.49Å; T703-T726 WeakPolarHBondContact OG1-CG2 3.36Å; T703-T726 PolarHBondContact OG1-OG1 3.46Å
727R89.4Confident91.7Very high116 Ų11659.7 Ų59.744%0.43829%0.287SS..EExtended strand (participates in β ladder)trans-153.414917754.3177.1173.4149.2-0.1113.1E701E701-R727 HydrophobicContact CB-CG 3.66Å; E701-R727 VanDerWaalsContact CD-NE 3.27Å; E701-R727 HydrophobicContact CG-CG 4.41Å; E701-R727 PolarHBondContact N-O 3.47Å; E701-R727 IonicContact OE1-NE 2.79Å; E701-R727 PolarHBondContact OE1-NE 2.96Å; E701-R727 IonicContact OE2-CZ 3.47Å; E701-R727 IonicContact OE2-NE 2.69Å; E701-R727 PolarHBondContact OE2-NE 2.68Å; E701-R727 IonicContact OE2-NH2 2.78Å; E701-R727 PolarHBondContact OE2-NH2 2.88Å
728I92.4Very high92Very high25 Ų2559.8 Ų59.813%0.12829%0.285CS..EExtended strand (participates in β ladder)trans-73.3139.3161.1-55.4-178.4000107.3M655 D730M655-I728 HydrophobicContact CE-CD1 4.13Å; M655-I728 HydrophobicContact CE-CG1 4.49Å; M655-I728 HydrophobicContact SD-CD1 4Å; M655-I728 HydrophobicContact SD-CG1 4.4Å; I728-D730 VanDerWaalsContact CG2-OD1 3.32Å; I728-D730 WeakPolarHBondContact CG2-OD1 3.39Å
729R93.8Very high92.2Very high21 Ų2161.2 Ų61.28%0.07929%0.293CS..  trans-106.372.2-177.5-62.1-62.1-57.7-87-1.3110D609 V699 E701 D731 K732D609-R729 WeakPolarHBondContact OD1-CG 3.42Å; D609-R729 IonicContact OD1-CZ 3.78Å; D609-R729 IonicContact OD1-NH1 3.95Å; D609-R729 PolarHBondContact OD1-NH1 3.3Å; D609-R729 IonicContact OD2-CZ 3.2Å; D609-R729 IonicContact OD2-NH1 2.75Å; D609-R729 PolarHBondContact OD2-NH1 2.94Å; V699-R729 HydrophobicContact CB-CB 4.13Å; V699-R729 HydrophobicContact CG1-CB 4.13Å; V699-R729 HydrophobicContact CG1-CG 4.49Å; V699-R729 WeakPolarHBondContact O-CB 3.37Å; V699-R729 PolarHBondContact O-N 3.25Å; E701-R729 HydrophobicContact CB-CG 4.18Å; E701-R729 IonicContact OE2-NH1 3.2Å; R729-D731 WeakPolarHBondContact CA-OD1 3.2Å; R729-D731 IonicContact CZ-OD1 2.78Å; R729-D731 IonicContact CZ-OD2 3.68Å; R729-D731 IonicContact NE-OD1 2.72Å; R729-D731 PolarHBondContact NE-OD1 3.32Å; R729-D731 IonicContact NE-OD2 2.66Å; R729-D731 PolarHBondContact NE-OD2 2.88Å; R729-D731 IonicContact NH2-OD1 2.93Å; R729-D731 IonicContact NH2-OD2 2.67Å; R729-D731 PolarHBondContact NH2-OD2 3.03Å; R729-D731 PolarHBondContact O-N 3.21Å; R729-D731 VanDerWaalsContact O-N 3.08Å; R729-K732 HydrophobicContact CB-CB 4.01Å; R729-K732 HydrophobicContact CB-CG 4.38Å; R729-K732 PolarHBondContact O-N 3.37Å
730D92.3Very high92.3Very high148 Ų14860.9 Ų60.979%0.79129%0.291SS*.THydrogen-bonded Turntrans-62-12.6174.2-53.3-44.5000112.2I728I728-D730 VanDerWaalsContact CG2-OD1 3.32Å; I728-D730 WeakPolarHBondContact CG2-OD1 3.39Å
731D94Very high92.5Very high107 Ų10764.5 Ų64.557%0.57231%0.307SS*.THydrogen-bonded Turntrans-87.91172.668.1-52.7000114.5R729R729-D731 WeakPolarHBondContact CA-OD1 3.2Å; R729-D731 IonicContact CZ-OD1 2.78Å; R729-D731 IonicContact CZ-OD2 3.68Å; R729-D731 IonicContact NE-OD1 2.72Å; R729-D731 PolarHBondContact NE-OD1 3.32Å; R729-D731 IonicContact NE-OD2 2.66Å; R729-D731 PolarHBondContact NE-OD2 2.88Å; R729-D731 IonicContact NH2-OD1 2.93Å; R729-D731 IonicContact NH2-OD2 2.67Å; R729-D731 PolarHBondContact NH2-OD2 3.03Å; R729-D731 PolarHBondContact O-N 3.21Å; R729-D731 VanDerWaalsContact O-N 3.08Å
732K94Very high92.9Very high61 Ų6166.9 Ų66.927%0.26532%0.32SS..  trans-130.1145.6-178.7-74.5-164.7160.4-164.70114.1D609 V699 R729 T736D609-K732 HydrophobicContact CB-CD 4.16Å; D609-K732 WeakPolarHBondContact OD2-CD 3.41Å; D609-K732 VanDerWaalsContact OD2-CE 3.3Å; D609-K732 WeakPolarHBondContact OD2-CE 3.36Å; D609-K732 IonicContact OD2-NZ 2.72Å; D609-K732 PolarHBondContact OD2-NZ 3.28Å; V699-K732 HydrophobicContact CB-CB 4.02Å; V699-K732 HydrophobicContact CG1-CB 4Å; V699-K732 HydrophobicContact CG1-CD 4.42Å; V699-K732 HydrophobicContact CG2-CB 4.13Å; V699-K732 WeakPolarHBondContact CG2-O 3.13Å; R729-K732 HydrophobicContact CB-CB 4.01Å; R729-K732 HydrophobicContact CB-CG 4.38Å; R729-K732 PolarHBondContact O-N 3.37Å; K732-T736 WeakPolarHBondContact CD-O 3.27Å; K732-T736 VanDerWaalsContact CE-O 3.27Å; K732-T736 WeakPolarHBondContact CE-O 3.35Å; K732-T736 PolarHBondContact NZ-O 2.62Å
733D93.4Very high93.3Very high64 Ų6460.7 Ų60.734%0.34229%0.293SS..  trans-106.3175.4169.981.2-29000111.5V699 K735 T736 A737V699-D733 WeakPolarHBondContact CG2-O 3.5Å; D733-K735 PolarHBondContact O-N 2.69Å; D733-K735 PolarHBondContact OD1-N 2.84Å; D733-K735 WeakPolarHBondContact OD2-CB 3.33Å; D733-K735 WeakPolarHBondContact OD2-CD 3.35Å; D733-K735 WeakPolarHBondContact OD2-CG 3.38Å; D733-T736 PolarHBondContact N-OG1 2.84Å; D733-T736 PolarHBondContact O-N 3.32Å; D733-T736 VanDerWaalsContact O-N 3.13Å; D733-T736 PolarHBondContact O-OG1 2.85Å; D733-T736 WeakPolarHBondContact OD1-CB 3.49Å; D733-T736 WeakPolarHBondContact OD1-CG2 3.35Å; D733-T736 PolarHBondContact OD1-N 2.66Å; D733-T736 PolarHBondContact OD1-OG1 3.35Å; D733-A737 PolarHBondContact O-N 2.87Å
734W93.2Very high93.3Very high36 Ų3663.5 Ų63.514%0.13630%0.3CS..THydrogen-bonded Turntrans-58-22.8179.776.5-99.8000114.5Y634 W641 E695Y634-W734 HydrophobicContact CD1-CZ3 4.04Å; Y634-W734 HydrophobicContact CD2-CZ3 4.18Å; Y634-W734 HydrophobicContact CE1-CZ3 4.04Å; Y634-W734 HydrophobicContact CE2-CZ3 4.19Å; Y634-W734 HydrophobicContact CG-CE3 4.43Å; Y634-W734 HydrophobicContact CG-CZ3 4.1Å; W641-W734 HydrophobicContact CH2-CB 3.97Å; W641-W734 HydrophobicContact CH2-CE3 4.1Å; W641-W734 HydrophobicContact CZ2-CB 4.29Å; W641-W734 HydrophobicContact CZ2-CD2 4.41Å; W641-W734 AromaticContact CZ2-CE3 3.97Å; W641-W734 HydrophobicContact CZ2-CE3 3.97Å; E695-W734 HydrophobicContact CB-CD2 4.48Å; E695-W734 HydrophobicContact CB-CG 4.16Å; E695-W734 VanDerWaalsContact CD-CE2 3.42Å; E695-W734 HydrophobicContact CG-CD2 3.99Å; E695-W734 HydrophobicContact CG-CG 4.17Å; E695-W734 HydrophobicContact CG-CZ2 3.92Å; E695-W734 WeakPolarHBondContact OE2-CZ2 3.36Å; E695-W734 PolarHBondContact OE2-NE1 3.26Å
735K93Very high93.3Very high138 Ų13860.3 Ų60.360%0.629%0.291SS*.THydrogen-bonded Turntrans-85.7-31-179.8-56.4171.5-172157.70112.6D733D733-K735 PolarHBondContact O-N 2.69Å; D733-K735 PolarHBondContact OD1-N 2.84Å; D733-K735 WeakPolarHBondContact OD2-CB 3.33Å; D733-K735 WeakPolarHBondContact OD2-CD 3.35Å; D733-K735 WeakPolarHBondContact OD2-CG 3.38Å
736T94.6Very high93.2Very high72 Ų7262.6 Ų62.644%0.44230%0.303SS..THydrogen-bonded Turntrans-94.5-9.4178.652.20000113.2K732 D733K732-T736 WeakPolarHBondContact CD-O 3.27Å; K732-T736 VanDerWaalsContact CE-O 3.27Å; K732-T736 WeakPolarHBondContact CE-O 3.35Å; K732-T736 PolarHBondContact NZ-O 2.62Å; D733-T736 PolarHBondContact N-OG1 2.84Å; D733-T736 PolarHBondContact O-N 3.32Å; D733-T736 VanDerWaalsContact O-N 3.13Å; D733-T736 PolarHBondContact O-OG1 2.85Å; D733-T736 WeakPolarHBondContact OD1-CB 3.49Å; D733-T736 WeakPolarHBondContact OD1-CG2 3.35Å; D733-T736 PolarHBondContact OD1-N 2.66Å; D733-T736 PolarHBondContact OD1-OG1 3.35Å
737A95.5Very high93.2Very high3 Ų360.4 Ų60.43%0.02529%0.288CS..SBendtrans-58.3160.2161.400000112.3V611 V699 D733 N739V611-A737 HydrophobicContact CG2-CB 3.73Å; V699-A737 HydrophobicContact CG1-CB 3.81Å; V699-A737 HydrophobicContact CG2-CB 4.05Å; D733-A737 PolarHBondContact O-N 2.87Å; A737-N739 PolarHBondContact O-N 2.85Å
738T96.4Very high93.1Very high13 Ų1360.2 Ų60.28%0.0829%0.287CS..PPolyproline II helixtrans-66.2116.5178.3-57.90000110.5A608 D609 C633 Q742 L743 L746A608-T738 HydrophobicContact CB-CG2 4.5Å; D609-T738 PolarHBondContact N-OG1 3.4Å; D609-T738 VanDerWaalsContact N-OG1 3.08Å; D609-T738 WeakPolarHBondContact O-CB 3.46Å; D609-T738 PolarHBondContact O-N 3.15Å; D609-T738 PolarHBondContact O-OG1 2.76Å; C633-T738 WeakPolarHBondContact CB-O 3.48Å; T738-Q742 HydrophobicContact CG2-CB 3.96Å; T738-L743 HydrophobicContact CG2-CB 4.15Å; T738-L746 HydrophobicContact CG2-CD1 3.95Å
739N96.5Very high92.6Very high35 Ų3562 Ų6219%0.18730%0.296CS..PPolyproline II helixtrans-87170.7174.87248.8000112.4Y634 P636 A737 H741 Q742 L743Y634-N739 CarbonylContact O-C 3.58Å; Y634-N739 WeakPolarHBondContact O-CA 3.08Å; Y634-N739 WeakPolarHBondContact O-CB 3.26Å; P636-N739 HydrophobicContact CG-CB 4.49Å; A737-N739 PolarHBondContact O-N 2.85Å; N739-H741 VanDerWaalsContact C-N 3.32Å; N739-H741 PolarHBondContact O-N 2.77Å; N739-H741 WeakPolarHBondContact OD1-CB 3.37Å; N739-H741 PolarHBondContact OD1-N 2.86Å; N739-Q742 PolarHBondContact ND2-OE1 2.86Å; N739-Q742 PolarHBondContact O-N 2.69Å; N739-Q742 PolarHBondContact OD1-N 2.83Å; N739-L743 WeakPolarHBondContact O-CB 3.34Å; N739-L743 PolarHBondContact O-N 2.79Å
740L95.6Very high91.7Very high1 Ų162.3 Ų62.31%0.00530%0.301CS..Hα-helixtrans-59.1-37.9-175.9-175.959.4000113.5Y634 D635 A715 L743 R744Y634-L740 PolarHBondContact O-N 3.23Å; D635-L740 HydrophobicContact CB-CB 4.18Å; D635-L740 HydrophobicContact CB-CD2 3.84Å; A715-L740 HydrophobicContact CB-CD1 3.73Å; L740-L743 PolarHBondContact O-N 3.29Å; L740-R744 WeakPolarHBondContact O-CG 3.44Å; L740-R744 PolarHBondContact O-N 3.24Å
741H94.6Very high90.6Very high84 Ų8462.3 Ų62.339%0.38929%0.294SS..Hα-helixtrans-67.9-43177.8-73.3-107.7000111.7D637 N739 L743 R744 E745D637-H741 IonicContact OD1-CD2 3.31Å; D637-H741 IonicContact OD1-CE1 3.73Å; D637-H741 IonicContact OD1-NE2 3.73Å; D637-H741 PolarHBondContact OD1-NE2 3.08Å; D637-H741 IonicContact OD2-CD2 2.74Å; D637-H741 IonicContact OD2-CE1 2.63Å; D637-H741 IonicContact OD2-NE2 3.7Å; D637-H741 PolarHBondContact OD2-NE2 3.43Å; N739-H741 VanDerWaalsContact C-N 3.32Å; N739-H741 PolarHBondContact O-N 2.77Å; N739-H741 WeakPolarHBondContact OD1-CB 3.37Å; N739-H741 PolarHBondContact OD1-N 2.86Å; H741-L743 VanDerWaalsContact C-N 3.3Å; H741-L743 PolarHBondContact O-N 3.15Å; H741-R744 PolarHBondContact CE1-NH1 3.2Å; H741-R744 WeakPolarHBondContact O-CB 3.47Å; H741-R744 PolarHBondContact O-N 3.28Å; H741-E745 PolarHBondContact O-N 2.93Å; H741-E745 VanDerWaalsContact O-N 3.15Å
742Q94.1Very high89.3Confident93 Ų9362.7 Ų62.744%0.43529%0.292SS..Hα-helixtrans-63.7-36.4173.6-68.5166.8-2300111.8T738 N739 E745 L746T738-Q742 HydrophobicContact CG2-CB 3.96Å; N739-Q742 PolarHBondContact ND2-OE1 2.86Å; N739-Q742 PolarHBondContact O-N 2.69Å; N739-Q742 PolarHBondContact OD1-N 2.83Å; Q742-E745 PolarHBondContact O-N 3.35Å; Q742-L746 WeakPolarHBondContact O-CG 3.46Å; Q742-L746 PolarHBondContact O-N 3.45Å
743L93.8Very high87.4Confident0 Ų064.9 Ų64.90%031%0.307CS..Hα-helixtrans-68.6-37.4177.2-172.565.4000112.5A608 V644 F707 A715 I718 T738 N739 L740 H741 E745 F747A608-L743 HydrophobicContact CB-CD1 4.48Å; V644-L743 HydrophobicContact CB-CD2 4.45Å; V644-L743 HydrophobicContact CG1-CD2 3.98Å; V644-L743 HydrophobicContact CG2-CD2 3.56Å; F707-L743 HydrophobicContact CD1-CD1 4.15Å; F707-L743 HydrophobicContact CE1-CD1 3.66Å; F707-L743 HydrophobicContact CZ-CD1 4.4Å; A715-L743 HydrophobicContact CB-CD2 3.94Å; I718-L743 HydrophobicContact CB-CD2 4.17Å; I718-L743 HydrophobicContact CB-CG 4.35Å; I718-L743 HydrophobicContact CD1-CG 4.24Å; I718-L743 HydrophobicContact CG2-CD1 4.22Å; I718-L743 HydrophobicContact CG2-CD2 4.13Å; I718-L743 HydrophobicContact CG2-CG 3.94Å; T738-L743 HydrophobicContact CG2-CB 4.15Å; N739-L743 WeakPolarHBondContact O-CB 3.34Å; N739-L743 PolarHBondContact O-N 2.79Å; L740-L743 PolarHBondContact O-N 3.29Å; H741-L743 VanDerWaalsContact C-N 3.3Å; H741-L743 PolarHBondContact O-N 3.15Å; L743-E745 VanDerWaalsContact C-N 3.31Å; L743-F747 WeakPolarHBondContact O-CB 3.38Å; L743-F747 PolarHBondContact O-N 3.34Å
744R92.6Very high85.5Confident87 Ų8763.4 Ų63.433%0.32830%0.301SS..Hα-helixtrans-57.5-45.4169.6-69.6167-176.5155.41.5110.9D637 D716 I718 L740 H741 F747 R748D637-R744 IonicContact OD2-NH1 2.77Å; D716-R744 IonicContact OD1-NH2 3.77Å; D716-R744 IonicContact OD2-CZ 3.65Å; D716-R744 IonicContact OD2-NE 2.77Å; D716-R744 PolarHBondContact OD2-NE 2.96Å; D716-R744 IonicContact OD2-NH2 2.73Å; D716-R744 PolarHBondContact OD2-NH2 2.91Å; I718-R744 HydrophobicContact CD1-CG 4.24Å; L740-R744 WeakPolarHBondContact O-CG 3.44Å; L740-R744 PolarHBondContact O-N 3.24Å; H741-R744 PolarHBondContact CE1-NH1 3.2Å; H741-R744 WeakPolarHBondContact O-CB 3.47Å; H741-R744 PolarHBondContact O-N 3.28Å; R744-F747 PolarHBondContact O-N 2.89Å; R744-R748 PolarHBondContact O-N 3.04Å
745E91.3Very high83.4Confident77 Ų7768.9 Ų68.936%0.3633%0.334SS..Hα-helixtrans-70.6-40.7-178.4-178.663.417500112.5H741 Q742 L743 F747 R748 I749H741-E745 PolarHBondContact O-N 2.93Å; H741-E745 VanDerWaalsContact O-N 3.15Å; Q742-E745 PolarHBondContact O-N 3.35Å; L743-E745 VanDerWaalsContact C-N 3.31Å; E745-F747 VanDerWaalsContact C-N 3.33Å; E745-F747 PolarHBondContact O-N 3.31Å; E745-R748 WeakPolarHBondContact O-CB 3.33Å; E745-R748 PolarHBondContact O-N 3.22Å; E745-R748 VanDerWaalsContact O-N 3.09Å; E745-R748 IonicContact OE1-CZ 2.88Å; E745-R748 IonicContact OE1-NE 3.77Å; E745-R748 IonicContact OE1-NH2 2.73Å; E745-R748 PolarHBondContact OE1-NH2 3.44Å; E745-R748 IonicContact OE2-CZ 3.97Å; E745-R748 IonicContact OE2-NE 2.61Å; E745-R748 PolarHBondContact OE2-NE 2.89Å; E745-R748 IonicContact OE2-NH2 2.66Å; E745-R748 PolarHBondContact OE2-NH2 3.03Å; E745-I749 HydrophobicContact CG-CD1 3.82Å; E745-I749 HydrophobicContact CG-CG1 4.33Å; E745-I749 WeakPolarHBondContact O-CG1 3.46Å; E745-I749 PolarHBondContact O-N 3.46Å
746L89.3Confident81.8Confident58 Ų5864.7 Ų64.730%0.30432%0.315SS..Hα-helixtrans-59.9-41.6171.9-72.8170.9000111.8F707 T738 Q742 R748 S750F707-L746 HydrophobicContact CE2-CB 3.95Å; F707-L746 HydrophobicContact CZ-CB 4.09Å; F707-L746 HydrophobicContact CZ-CD1 4.32Å; T738-L746 HydrophobicContact CG2-CD1 3.95Å; Q742-L746 WeakPolarHBondContact O-CG 3.46Å; Q742-L746 PolarHBondContact O-N 3.45Å; L746-R748 VanDerWaalsContact C-N 3.28Å; L746-R748 PolarHBondContact O-N 2.99Å; L746-S750 WeakPolarHBondContact O-CB 3.32Å; L746-S750 PolarHBondContact O-N 2.92Å
747F88.4Confident80Confident30 Ų3070 Ų7013%0.13233%0.333CS..Hα-helixtrans-64.8-29.4174.2174.2-100.3000113.2F707 K709 I718 L743 R744 E745 K751F707-F747 HydrophobicContact CB-CB 4.42Å; F707-F747 HydrophobicContact CB-CD2 3.76Å; K709-F747 HydrophobicContact CD-CZ 4.17Å; K709-F747 HydrophobicContact CG-CE2 4.17Å; K709-F747 HydrophobicContact CG-CZ 3.82Å; I718-F747 HydrophobicContact CD1-CB 4.09Å; I718-F747 HydrophobicContact CD1-CG 4.4Å; I718-F747 HydrophobicContact CG1-CG 4.49Å; I718-F747 HydrophobicContact CG2-CB 4.29Å; I718-F747 HydrophobicContact CG2-CD2 4.42Å; L743-F747 WeakPolarHBondContact O-CB 3.38Å; L743-F747 PolarHBondContact O-N 3.34Å; R744-F747 PolarHBondContact O-N 2.89Å; E745-F747 VanDerWaalsContact C-N 3.33Å; E745-F747 PolarHBondContact O-N 3.31Å; F747-K751 HydrophobicContact CZ-CD 4.4Å
748R85.8Confident78.6Confident111 Ų11170.7 Ų70.742%0.41934%0.336SS..Hα-helixtrans-74.4-55.6173.8-171.9-17870.795.6-5.6111.2R744 E745 L746 S750 K751 E752R744-R748 PolarHBondContact O-N 3.04Å; E745-R748 WeakPolarHBondContact O-CB 3.33Å; E745-R748 PolarHBondContact O-N 3.22Å; E745-R748 VanDerWaalsContact O-N 3.09Å; E745-R748 IonicContact OE1-CZ 2.88Å; E745-R748 IonicContact OE1-NE 3.77Å; E745-R748 IonicContact OE1-NH2 2.73Å; E745-R748 PolarHBondContact OE1-NH2 3.44Å; E745-R748 IonicContact OE2-CZ 3.97Å; E745-R748 IonicContact OE2-NE 2.61Å; E745-R748 PolarHBondContact OE2-NE 2.89Å; E745-R748 IonicContact OE2-NH2 2.66Å; E745-R748 PolarHBondContact OE2-NH2 3.03Å; L746-R748 VanDerWaalsContact C-N 3.28Å; L746-R748 PolarHBondContact O-N 2.99Å; R748-S750 VanDerWaalsContact C-N 3.29Å; R748-S750 PolarHBondContact O-N 2.86Å; R748-K751 WeakPolarHBondContact O-CB 3.47Å; R748-K751 PolarHBondContact O-N 2.92Å; R748-E752 VanDerWaalsContact CG-CD 3.48Å; R748-E752 WeakPolarHBondContact CG-OE1 3.43Å; R748-E752 IonicContact CZ-OE2 3.4Å; R748-E752 IonicContact NH1-OE2 3.49Å; R748-E752 PolarHBondContact NH1-OE2 3.4Å; R748-E752 PolarHBondContact O-N 3.08Å
749I82.9Confident77.1Confident63 Ų6375.7 Ų75.732%0.32337%0.367SS..Hα-helixtrans-57.9-41-179.3-67.6174.1000111.4E745 K751 E752 N753E745-I749 HydrophobicContact CG-CD1 3.82Å; E745-I749 HydrophobicContact CG-CG1 4.33Å; E745-I749 WeakPolarHBondContact O-CG1 3.46Å; E745-I749 PolarHBondContact O-N 3.46Å; I749-K751 PolarHBondContact O-N 2.98Å; I749-K751 VanDerWaalsContact O-N 3.11Å; I749-E752 PolarHBondContact O-N 2.72Å; I749-E752 VanDerWaalsContact O-N 3.11Å; I749-N753 HydrophobicContact CG2-CB 4.1Å; I749-N753 PolarHBondContact O-N 3.03Å
750S74.6Confident75.5Confident27 Ų2775.6 Ų75.619%0.18937%0.371CS..Hα-helixtrans-53.5-28.6175.3172.90000113.5D606 L746 R748D606-S750 WeakPolarHBondContact OD2-CB 3.29Å; D606-S750 PolarHBondContact OD2-OG 2.89Å; L746-S750 WeakPolarHBondContact O-CB 3.32Å; L746-S750 PolarHBondContact O-N 2.92Å; R748-S750 VanDerWaalsContact C-N 3.29Å; R748-S750 PolarHBondContact O-N 2.86Å
751K69.9Low73.2Confident148 Ų14877.6 Ų77.664%0.64339%0.391SS*.Hα-helixtrans-94.2-24.7177.8-68.5-173.5168.3-1550115.2F747 R748 I749F747-K751 HydrophobicContact CZ-CD 4.4Å; R748-K751 WeakPolarHBondContact O-CB 3.47Å; R748-K751 PolarHBondContact O-N 2.92Å; I749-K751 PolarHBondContact O-N 2.98Å; I749-K751 VanDerWaalsContact O-N 3.11Å
752E65Low70.4Confident115 Ų11580 Ų8054%0.53741%0.414SS..Hα-helixtrans-102.9-35.9-169.2-69.9172.7-16700112.5R748 I749R748-E752 VanDerWaalsContact CG-CD 3.48Å; R748-E752 WeakPolarHBondContact CG-OE1 3.43Å; R748-E752 IonicContact CZ-OE2 3.4Å; R748-E752 IonicContact NH1-OE2 3.49Å; R748-E752 PolarHBondContact NH1-OE2 3.4Å; R748-E752 PolarHBondContact O-N 3.08Å; I749-E752 PolarHBondContact O-N 2.72Å; I749-E752 VanDerWaalsContact O-N 3.11Å
753N55.4Low67.6Low107 Ų10780.7 Ų80.757%0.57243%0.43SS*.  trans-110.8105.6-173-70.5-14.1000112.2I749I749-N753 HydrophobicContact CG2-CB 4.1Å; I749-N753 PolarHBondContact O-N 3.03Å
754C53.7Low64.5Low33 Ų3386.6 Ų86.622%0.22347%0.466CS..  trans-119.529169.2-77.50000112.8F756C754-F756 WeakPolarHBondContact O-CD1 3.38Å; C754-F756 PolarHBondContact O-N 3.34Å
755D47.5Very low61.6Low152 Ų15287.8 Ų87.881%0.81349%0.488SS*.  trans-81.195175.1-99.2-22000111.8
756F60.2Low58.8Low49 Ų4991.3 Ų91.322%0.21551%0.509CS..  trans-143.7161.3166.363.2-80.5000109.6I568 M604 C754 V758I568-F756 HydrophobicContact CB-CE1 4.23Å; I568-F756 HydrophobicContact CB-CZ 3.75Å; I568-F756 HydrophobicContact CD1-CE2 4.36Å; I568-F756 HydrophobicContact CD1-CZ 3.79Å; I568-F756 HydrophobicContact CG1-CZ 4.37Å; I568-F756 HydrophobicContact CG2-CE1 3.69Å; I568-F756 HydrophobicContact CG2-CZ 3.57Å; M604-F756 HydrophobicContact SD-CD2 4.03Å; M604-F756 HydrophobicContact SD-CE2 3.86Å; C754-F756 WeakPolarHBondContact O-CD1 3.38Å; C754-F756 PolarHBondContact O-N 3.34Å; F756-V758 HydrophobicContact CD2-CG2 3.95Å; F756-V758 HydrophobicContact CE2-CG2 3.61Å
757K57.9Low56.1Low185 Ų18595.7 Ų95.780%0.80453%0.533SS*.  trans-116125172.6-70.5-176.6176.8-178.30109
758V65.7Low53.4Low17 Ų17104 Ų10410%0.10357%0.569CS.*  trans-84.9121.7165.6-1710000107.8I410 I564 M604 F756I410-V758 HydrophobicContact CD1-CG1 3.68Å; I564-V758 HydrophobicContact CG2-CG2 3.82Å; M604-V758 HydrophobicContact CE-CG2 4.33Å; F756-V758 HydrophobicContact CD2-CG2 3.95Å; F756-V758 HydrophobicContact CE2-CG2 3.61Å
759T65.2Low50.6Low117 Ų117102.4 Ų102.472%0.71859%0.586SS**  trans-104.7129.4174.752.20000109.6
760A61.4Low48Very low34 Ų34105.7 Ų105.728%0.28162%0.615SS.*PPolyproline II helixtrans-69.1147.7163.800000110.1I410 A557I410-A760 HydrophobicContact CG2-CB 4.34Å; A557-A760 HydrophobicContact CB-CB 3.87Å
761G47.4Very low45.8Very low42 Ų42110.1 Ų110.143%0.43365%0.646SS.*PPolyproline II helixtrans-60.4154.7174.700000113.3E411 S763E411-G761 PolarHBondContact OE1-N 3.07Å; G761-S763 PolarHBondContact O-N 3.46Å
762P36.9Very low43.8Very low134 Ų134106.6 Ų106.687%0.8765%0.652SS**PPolyproline II helixtrans-63.2119.5179.626.4-34.1000110.9T764P762-T764 PolarHBondContact O-N 2.55Å
763S34.1Very low42Very low109 Ų109105.1 Ų105.176%0.76267%0.668SS**PPolyproline II helixtrans-78.5116.4178.855.40000111.2G761 S765G761-S763 PolarHBondContact O-N 3.46Å; S763-S765 PolarHBondContact O-N 3.05Å
764T29.9Very low40.6Very low124 Ų124107.8 Ų107.876%0.76168%0.682SS**  trans-67.9107170.648.90000110.3P762P762-T764 PolarHBondContact O-N 2.55Å
765S30.5Very low39.3Very low111 Ų111112 Ų11278%0.77671%0.712SS**  trans-96.788.4170.157.60000109.5S763 D767S763-S765 PolarHBondContact O-N 3.05Å; S765-D767 PolarHBondContact O-N 2.86Å
766D32.4Very low38.3Very low152 Ų152108.9 Ų108.981%0.81372%0.715SS**  trans-76.3116.7173.6-62.2-45.1000109.7
767D32.6Very low36.5Very low150 Ų150110.1 Ų110.180%0.80274%0.742SS**  trans-151.3141.8172-151.9-19000110.6S765S765-D767 PolarHBondContact O-N 2.86Å
768K32.4Very low34.9Very low205 Ų205108.9 Ų108.989%0.89174%0.744SS**  trans64.9151-161.4-49.3178.2-177.6-179.70114.6
769G27.6Very low33.1Very low76 Ų76113.7 Ų113.778%0.78478%0.779SS**  cis172.5135.4-5.400000110.5
770S27.8Very low31.7Very low133 Ų133113.8 Ų113.893%0.9378%0.781SS**  trans-82.6136.9-163.6-172.90000115.9
771S29Very low29.9Very low119 Ų119117.9 Ų117.983%0.83281%0.808SS**  trans170.6143.1143.4-1710000108.9
772G27.5Very low28.8Very low75 Ų75121.6 Ų121.677%0.77383%0.827SS**  cis148.3124.3-3.400000111.4
773G26.2Very low28.3Very low84 Ų84120.9 Ų120.987%0.86683%0.826SS**  trans137.6123170.800000116.3
774D26.6Very low27.9Very low162 Ų162121.7 Ų121.787%0.86683%0.831SS**  trans-87155171.8-73.8-68.9000112.8
775S27.3Very low27.7Very low122 Ų122121.5 Ų121.585%0.85384%0.835SS**  179.6116127.1-81.20000115.3
776G25.1Very low27.4Very low86 Ų86128.3 Ų128.389%0.88784%0.843SS**  trans18.1135.1148.100000125
777G22.8Very low27.1Very low75 Ų75126.5 Ų126.577%0.77384%0.842SS**  129.3105118.300000120.2
778N25.2Very low26.7Very low159 Ų159125.7 Ų125.785%0.8584%0.843SS**  trans44110.6147-66.70.9000121.9
779S27.2Very low26.6Very low119 Ų119122.1 Ų122.183%0.83284%0.841SS**  176.8162.594.1-77.60000113.3
780P35.4Very low26.5Very low118 Ų118123.5 Ų123.577%0.76685%0.845SS**  trans-120.3-172-156.543.4-32.6000116.9
781S23.4Very low26.4Very low121 Ų121127 Ų12785%0.84684%0.844SS**  trans88.7149.3179.583.70000115.3
782S26Very low26.2Very low119 Ų119131.3 Ų131.383%0.83285%0.847SS**  cis-135.6167.87.864.20000113
783S25Very low26Very low120 Ų120134 Ų13484%0.83985%0.849SS**  trans-116151.2-178.860.40000112
784S26.8Very low25.9Very low125 Ų125134.5 Ų134.587%0.87484%0.839SS**  trans-136.5136.2161.862.60000110.5
785S25.2Very low25.8Very low120 Ų120134 Ų13484%0.83984%0.836SS**  trans-121152.7179.261.50000109.6
786R25Very low25.6Very low255 Ų255132.9 Ų132.996%0.96283%0.828SS**  trans-125.1117.1-179.6-156.2173.3-172-179.62.5109.9
787S24.6Very low25.5Very low113 Ų113135 Ų13579%0.7982%0.824SS**  trans-107.4155.1-169.450.30000113.2
788T24.1Very low26.1Very low134 Ų134136.4 Ų136.482%0.82282%0.82SS**  trans-85.5145.9176.5480000112.4
789P31.6Very low26Very low130 Ų130134.7 Ų134.784%0.84482%0.815SS**  trans-83.9162-179.334.8-36.5000113.9
790A24.1Very low25.9Very low105 Ų105138.3 Ų138.387%0.86882%0.816SS**  trans-137.1155.9172.400000112
791K26.9Very low26Very low207 Ų207138.1 Ų138.190%0.982%0.815SS**  trans-75.2156.6-171.1-63.9176.5175.5178.40114.6
792K23.7Very low26Very low209 Ų209142 Ų14291%0.90982%0.816SS**  trans-149165.5139-108.5175.8-176.1-177.90111.3
793T23.8Very low26.1Very low131 Ų131140.6 Ų140.680%0.80481%0.812SS**  trans-94.1178.5-17655.90000111
794S24.2Very low26.1Very low94 Ų94142 Ų14266%0.65782%0.816SS**  cis-165.8173.317.8-11.80000112.2
795N23.5Very low26Very low151 Ų151145.4 Ų145.481%0.80782%0.815SS**  trans87.8119.6152.2-69.88.2000124.1
796S25Very low26Very low99 Ų99145.6 Ų145.669%0.69282%0.816SS**  trans60.4106.6134.163.10000125
797T21.3Very low26Very low131 Ų131143 Ų14380%0.80481%0.812SS**  29.6158112.645.30000123.2
798P36.4Very low26.6Very low104 Ų104143.2 Ų143.268%0.67581%0.81SS**  cis-144.4174.3-8.836.2-13.9000118.8
799T23Very low26.6Very low123 Ų123147.9 Ų147.976%0.75581%0.813SS**  trans50.5129.3145.450.70000126.4
800K24.2Very low26.3Very low196 Ų196147.3 Ų147.385%0.85281%0.807SS**  19152.9126.9-72.1-177.8178.9174.70120.8
801P37.2Very low27Very low114 Ų114147.3 Ų147.374%0.7480%0.798SS**  cis-150.4-172.337.343.4-21.8000119.3
802K24Very low26.8Very low201 Ų201143.4 Ų143.487%0.87479%0.792SS**  trans3.3157.7151.6-63.5175.8179.51780120.9
803A27.6Very low26.9Very low90 Ų90137.7 Ų137.774%0.74478%0.778SS**  cis175.3165.4-17.100000109.2
804V25.2Very low27Very low151 Ų151140.6 Ų140.692%0.91578%0.783SS**  trans-163.1168.8155.5125.70000113.1
805K25.3Very low27Very low196 Ų196140.6 Ų140.685%0.85279%0.789SS**  trans-98155.2-164.1-48.2163.3-178170.70114.5
806S25.4Very low27Very low124 Ų124138.7 Ų138.787%0.86779%0.787SS**  -175164.911854.60000114.1
807K25.3Very low26.9Very low201 Ų201139.7 Ų139.787%0.87479%0.794SS**  trans-152.4166.9177.2-112.1-171.9-178.3-176.90106.3
808P36.8Very low27.2Very low117 Ų117139.9 Ų139.976%0.7680%0.795SS**  cis-128.4-149.334.637.1-14.4000111.4
809R23.1Very low26.7Very low231 Ų231144 Ų14487%0.87280%0.802SS**  cis-150.9-173.73.3-148.1-179.8179.91601.7110.6
810T27.2Very low26.7Very low119 Ų119148 Ų14873%0.7381%0.809SS**  trans-139169.2172.8520000107.3
811P36.8Very low26.7Very low105 Ų105144.7 Ų144.768%0.68281%0.805SS**  -158.7-179.170.840.1-16.2000119.2
812T23.6Very low26Very low124 Ų124148.3 Ų148.376%0.76181%0.809SS**  trans65.8148.4148.243.10000121.4
813S25.3Very low26Very low90 Ų90147 Ų14763%0.62980%0.803SS**  cis-179.6153.3-20.548.80000113.8
814Q25.7Very low25.8Very low191 Ų191146.4 Ų146.489%0.89379%0.793SS**  trans65.8161152.1-77.7-177.113.600118.5
815A25.5Very low25.7Very low95 Ų95146.7 Ų146.779%0.78579%0.785SS**  cis-157.9-168.7-15.400000111.4
816S23.7Very low25.7Very low111 Ų111146.2 Ų146.278%0.77679%0.785SS**  trans-107.8156.1-160.756.70000118.1
817S22.7Very low25.6Very low119 Ų119145.8 Ų145.883%0.83278%0.783SS**  trans179.3-175.3142.148.40000113.1
818V27.6Very low25.6Very low135 Ų135141.9 Ų141.982%0.81878%0.775SS**  -144.2146.9-77.8156.80000111.1
819K25.3Very low25Very low192 Ų192145.2 Ų145.284%0.83578%0.781SS**  trans-16.3137.7171.2-58.9172.3176.5175.70122.2
820K23.3Very low25Very low206 Ų206138.7 Ų138.790%0.89677%0.77SS**  trans170170.7133.6-94.9166179.6-178.90111.6
821V24.2Very low24.9Very low126 Ų126140.8 Ų140.876%0.76478%0.777SS**  -164.4141.7-58.4115.50000113.8
822K23.2Very low24.3Very low191 Ų191139.1 Ų139.183%0.8378%0.779SS**  trans58.5140.4161.1-80.8-172.6172.7-178.40124.2
823K24Very low24.4Very low174 Ų174141.8 Ų141.876%0.75778%0.783SS**  trans67.3153.3150.3-87.9-151.2151.6-133.70118.6E825K823-E825 IonicContact NZ-OE1 2.96Å; K823-E825 PolarHBondContact NZ-OE1 2.78Å
824S23.1Very low24.4Very low76 Ų76145.2 Ų145.253%0.53179%0.794SS.*  cis-165.2170.3-14.441.60000113.8
825E23.6Very low24.4Very low158 Ų158144.9 Ų144.974%0.73879%0.789SS**  trans79.8174.8152-77.7129.4-131.500120.4K823K823-E825 IonicContact NZ-OE1 2.96Å; K823-E825 PolarHBondContact NZ-OE1 2.78Å
826E24.9Very low24.4Very low185 Ų185145.9 Ų145.986%0.86479%0.786SS**  trans-112.6-168.4-145.1-54.6179.9104.900115.7
827S22.4Very low24.5Very low116 Ų116145.6 Ų145.681%0.81178%0.784SS**  trans89.1149.2170.979.10000116.6
828V24.8Very low24.8Very low119 Ų119144.7 Ų144.772%0.72178%0.778SS**  cis174.6131-35.5136.60000105.1
829Q24.9Very low24.8Very low187 Ų187147.1 Ų147.187%0.87478%0.78SS**  trans64.2154.9172.7-67.9168.215.700116.1
830S23.3Very low25.1Very low93 Ų93145.5 Ų145.565%0.6578%0.78SS**  cis-165.6163.941.462.90000115.9
831N24.5Very low25.3Very low164 Ų164143.8 Ų143.888%0.87778%0.78SS**  trans65.4150.7145.1-67.1-16.8000123.3
832G24.5Very low25.5Very low69 Ų69145.9 Ų145.971%0.71178%0.781SS**  trans135.253.3168.900000116
833Q26.8Very low25.9Very low181 Ų181142.4 Ų142.485%0.84678%0.778SS**  47.1119.4105.6-71.3-170.6-13.600118.1
834N24.3Very low26.2Very low161 Ų161146 Ų14686%0.86179%0.787SS**  -165.3163.9105.5-114.2-39.9000115.3
835K25.5Very low26.9Very low184 Ų184149.5 Ų149.580%0.880%0.799SS**  trans-93.6179.5173-64178.8176.4176.10109.7
836T26.1Very low27.7Very low117 Ų117149.8 Ų149.872%0.71881%0.806SS**  cis-165.3151.325.9-32.10000111.9
837S25.6Very low29Very low104 Ų104146.6 Ų146.673%0.72779%0.79SS**  trans49.5149.6147.455.40000122.1
838S28.6Very low30.6Very low101 Ų101147.8 Ų147.871%0.70679%0.792SS**  cis-176.3144.6-19.350.40000107.1
839Q27.5Very low32.9Very low186 Ų186145.9 Ų145.987%0.86978%0.777SS**  -173.317690.3-88.8-173.7-13.500110.8
840L31.6Very low35.5Very low158 Ų158141.3 Ų141.383%0.82776%0.759SS**  trans-100.3161.8-162.9-6287000115.7
841L27.6Very low38.7Very low170 Ų170141 Ų14189%0.8975%0.749SS**  -156.3167.7123.2-104.7162.8000111.2
842Q27.9Very low41.7Very low170 Ų170133.6 Ų133.679%0.79471%0.71SS**PPolyproline II helixtrans-101.6154.3-151.9-62.3172.7-21.500116.9
843P32.5Very low44.8Very low118 Ų118130.3 Ų130.377%0.76668%0.676SS**PPolyproline II helixtrans-92.8157.6157.437.1-31.7000112.7
844R30.6Very low47.8Very low249 Ų249125.3 Ų125.394%0.9466%0.661SS**PPolyproline II helixtrans-101.8142.8171-77.5-177.3171.6174-3111.6
845N37.8Very low50.6Low149 Ų149120.6 Ų120.680%0.79765%0.65SS**  trans-106.6134.7171.3-74.9-22.4000110.4
846D40.2Very low53.6Low165 Ų165112.3 Ų112.388%0.88262%0.615SS**  trans-92.4123.8159.2-72-48.2000108.9
847K52.6Low56.6Low118 Ų118110.4 Ų110.451%0.51360%0.597SS.*  trans-78.5136.7-178.4-66.9-177.6178.4179.50111.4D851 D878K847-D851 WeakPolarHBondContact CD-OD1 3.37Å; K847-D851 WeakPolarHBondContact CE-OD1 3.21Å; K847-D851 IonicContact NZ-OD1 2.71Å; K847-D851 PolarHBondContact NZ-OD1 2.82Å; K847-D851 IonicContact NZ-OD2 2.8Å; K847-D851 PolarHBondContact NZ-OD2 3.44Å; K847-D878 WeakPolarHBondContact CE-OD1 3.19Å; K847-D878 IonicContact NZ-OD1 2.89Å; K847-D878 PolarHBondContact NZ-OD1 2.73Å; K847-D878 IonicContact NZ-OD2 3.58Å; K847-D878 PolarHBondContact NZ-OD2 3.24Å
848T54.9Low59.7Low140 Ų140105.5 Ų105.586%0.85956%0.562SS**  trans-109.52.9175.751.40000114
849L72.7Confident62.6Low79 Ų79101.8 Ų101.841%0.41453%0.534SS..SBendtrans-122.9166-179.6-66.2173.7000110.3A876 Y877L849-A876 WeakPolarHBondContact CB-O 3.49Å; L849-A876 HydrophobicContact CD1-CB 3.81Å; L849-A876 VanDerWaalsContact CD1-O 3.25Å; L849-A876 WeakPolarHBondContact CD1-O 3.41Å; L849-Y877 HydrophobicContact CB-CD1 4.33Å; L849-Y877 HydrophobicContact CB-CE1 4.32Å; L849-Y877 HydrophobicContact CD1-CE2 4.35Å; L849-Y877 HydrophobicContact CD2-CE1 4.28Å
850L81.3Confident65.5Low92 Ų9293.3 Ų93.348%0.48249%0.494SS..  trans-81.5141.5-178.9-67.9171000111.1I852 Y877 R918L850-I852 VanDerWaalsContact C-N 3.3Å; L850-I852 HydrophobicContact CB-CD1 4.35Å; L850-I852 HydrophobicContact CB-CG1 3.91Å; L850-I852 PolarHBondContact O-N 3.19Å; L850-Y877 HydrophobicContact CB-CD1 4.36Å; L850-Y877 WeakPolarHBondContact O-CA 3.21Å; L850-Y877 VanDerWaalsContact O-CD1 3.26Å; L850-Y877 WeakPolarHBondContact O-CD1 3.41Å; L850-R918 HydrophobicContact CD1-CB 4.42Å; L850-R918 HydrophobicContact CD1-CG 4.29Å
851D88.7Confident68Low85 Ų8586.5 Ų86.546%0.45546%0.46SS..  trans-79.977.9174.8-64.7-17.9000109.7K847 D878K847-D851 WeakPolarHBondContact CD-OD1 3.37Å; K847-D851 WeakPolarHBondContact CE-OD1 3.21Å; K847-D851 IonicContact NZ-OD1 2.71Å; K847-D851 PolarHBondContact NZ-OD1 2.82Å; K847-D851 IonicContact NZ-OD2 2.8Å; K847-D851 PolarHBondContact NZ-OD2 3.44Å; D851-D878 HydrophobicContact CB-CB 3.87Å; D851-D878 WeakPolarHBondContact OD1-CB 3.39Å
852I88.7Confident70.6Confident10 Ų1084.1 Ų84.15%0.05145%0.448CS..SBendtrans-83.8-35.4-175.2-63.1177.6000111.5L850 Y877 C914 V920L850-I852 VanDerWaalsContact C-N 3.3Å; L850-I852 HydrophobicContact CB-CD1 4.35Å; L850-I852 HydrophobicContact CB-CG1 3.91Å; L850-I852 PolarHBondContact O-N 3.19Å; I852-Y877 HydrophobicContact CB-CD1 4.5Å; I852-Y877 HydrophobicContact CD1-CD1 3.37Å; I852-Y877 HydrophobicContact CD1-CE1 3.79Å; I852-Y877 HydrophobicContact CD1-CG 4.14Å; I852-Y877 HydrophobicContact CG1-CD1 3.87Å; I852-Y877 PolarHBondContact N-O 2.97Å; I852-C914 HydrophobicContact CG2-CB 4.25Å; I852-V920 WeakPolarHBondContact O-CG2 3.33Å
853F90.2Very high73Confident0 Ų081.3 Ų81.30%045%0.447CS..SBendtrans-108.416.9-174.1-61.7-69.1000113.2G855 V856 F874 Y877 D878 W910 I911 C914 I915F853-G855 PolarHBondContact O-N 3.43Å; F853-V856 HydrophobicContact CB-CB 4.23Å; F853-V856 HydrophobicContact CB-CG2 4.37Å; F853-V856 WeakPolarHBondContact O-CA 3.1Å; F853-V856 WeakPolarHBondContact O-CB 3.09Å; F853-V856 WeakPolarHBondContact O-CG2 3.05Å; F853-V856 PolarHBondContact O-N 3.17Å; F853-F874 HydrophobicContact CB-CD2 4.25Å; F853-F874 HydrophobicContact CB-CE2 3.72Å; F853-F874 HydrophobicContact CB-CZ 4.07Å; F853-F874 AromaticContact CD1-CD2 3.92Å; F853-F874 HydrophobicContact CD1-CD2 3.92Å; F853-F874 AromaticContact CD1-CE2 3.45Å; F853-F874 HydrophobicContact CD1-CE2 3.45Å; F853-F874 VanDerWaalsContact CD1-CE2 3.45Å; F853-F874 HydrophobicContact CD1-CZ 4.46Å; F853-F874 AromaticContact CD2-CD2 3.63Å; F853-F874 HydrophobicContact CD2-CD2 3.63Å; F853-F874 AromaticContact CD2-CE2 3.91Å; F853-F874 HydrophobicContact CD2-CE2 3.91Å; F853-F874 HydrophobicContact CD2-CG 4.44Å; F853-F874 HydrophobicContact CE1-CD2 4.07Å; F853-F874 AromaticContact CE1-CE2 3.93Å; F853-F874 HydrophobicContact CE1-CE2 3.93Å; F853-F874 AromaticContact CE2-CD2 3.82Å; F853-F874 HydrophobicContact CE2-CD2 3.82Å; F853-F874 HydrophobicContact CE2-CE2 4.35Å; F853-F874 AromaticContact CG-CD2 3.68Å; F853-F874 HydrophobicContact CG-CD2 3.68Å; F853-F874 AromaticContact CG-CE2 3.42Å; F853-F874 HydrophobicContact CG-CE2 3.42Å; F853-F874 VanDerWaalsContact CG-CE2 3.42Å; F853-F874 HydrophobicContact CG-CZ 4.27Å; F853-F874 HydrophobicContact CZ-CD2 4.03Å; F853-F874 HydrophobicContact CZ-CE2 4.36Å; F853-Y877 PolarHBondContact N-O 3.09Å; F853-D878 CarbonylContact C-O 3.58Å; F853-W910 HydrophobicContact CD1-CH2 4.45Å; F853-W910 HydrophobicContact CD1-CZ3 4.39Å; F853-W910 HydrophobicContact CE1-CH2 4.23Å; F853-W910 AromaticContact CE1-CZ3 3.89Å; F853-W910 HydrophobicContact CE1-CZ3 3.89Å; F853-I911 HydrophobicContact CE2-CG2 4.24Å; F853-I911 HydrophobicContact CZ-CB 4.47Å; F853-I911 HydrophobicContact CZ-CG2 3.88Å; F853-C914 HydrophobicContact CD1-CB 4.49Å; F853-C914 HydrophobicContact CE1-CB 3.41Å; F853-C914 VanDerWaalsContact CE1-CB 3.41Å; F853-C914 HydrophobicContact CZ-CB 3.56Å; F853-I915 HydrophobicContact CE2-CD1 4.16Å; F853-I915 HydrophobicContact CE2-CG1 3.78Å; F853-I915 HydrophobicContact CZ-CG1 4.04Å
854S88.3Confident75.3Confident75 Ų7576.8 Ų76.852%0.52442%0.417SS..THydrogen-bonded Turntrans-55.2122-177.5-1510000111.5V856 D878S854-V856 VanDerWaalsContact C-N 3.32Å; S854-V856 PolarHBondContact O-N 3.19Å; S854-D878 WeakPolarHBondContact CA-O 3.15Å; S854-D878 WeakPolarHBondContact CB-OD2 3.31Å; S854-D878 PolarHBondContact N-O 3.02Å; S854-D878 PolarHBondContact OG-OD2 3.5Å
855G84Confident77.5Confident62 Ų6273.4 Ų73.464%0.63941%0.412SS*.THydrogen-bonded Turntrans80.30-174.900000115.8F853 K857F853-G855 PolarHBondContact O-N 3.43Å; G855-K857 PolarHBondContact O-N 3.29Å
856V88.1Confident79.6Confident11 Ų1170.5 Ų70.57%0.06740%0.396CS..  trans-85.3106.8172.6-175.70000109.2F853 S854 F874 D880 W910 V920F853-V856 HydrophobicContact CB-CB 4.23Å; F853-V856 HydrophobicContact CB-CG2 4.37Å; F853-V856 WeakPolarHBondContact O-CA 3.1Å; F853-V856 WeakPolarHBondContact O-CB 3.09Å; F853-V856 WeakPolarHBondContact O-CG2 3.05Å; F853-V856 PolarHBondContact O-N 3.17Å; S854-V856 VanDerWaalsContact C-N 3.32Å; S854-V856 PolarHBondContact O-N 3.19Å; V856-F874 HydrophobicContact CB-CZ 4.1Å; V856-F874 HydrophobicContact CG1-CE2 4.19Å; V856-F874 HydrophobicContact CG1-CZ 3.84Å; V856-F874 WeakPolarHBondContact O-CZ 3.24Å; V856-D880 PolarHBondContact O-N 3.14Å; V856-D880 VanDerWaalsContact O-N 3.09Å; V856-W910 HydrophobicContact CG1-CH2 4.3Å; V856-V920 HydrophobicContact CG2-CG2 3.95Å
857K90.4Very high81.7Confident77 Ų7764.3 Ų64.334%0.33536%0.362SS..EExtended strand (participates in β ladder)trans-83.7119.1167.2-75.6-174.1165-163.40110.8G855 D880 V882 S889 T891 H892G855-K857 PolarHBondContact O-N 3.29Å; K857-D880 CarbonylContact C-O 3.57Å; K857-D880 WeakPolarHBondContact CA-O 3.4Å; K857-D880 HydrophobicContact CG-CB 4.09Å; K857-V882 HydrophobicContact CB-CG2 3.75Å; K857-V882 HydrophobicContact CD-CG2 4.25Å; K857-V882 HydrophobicContact CG-CG2 4.22Å; K857-S889 WeakPolarHBondContact CD-O 3.3Å; K857-S889 PolarHBondContact NZ-OG 2.86Å; K857-T891 HydrophobicContact CB-CG2 4.15Å; K857-T891 PolarHBondContact N-OG1 2.91Å; K857-T891 WeakPolarHBondContact O-CA 3.42Å; K857-T891 PolarHBondContact O-N 2.86Å; K857-T891 PolarHBondContact O-OG1 3.49Å; K857-H892 PolarHBondContact O-N 2.88Å
858L90.4Very high83.2Confident0 Ų064.4 Ų64.40%037%0.368CS..EExtended strand (participates in β ladder)trans-117.2124.3-176.5-172.773.9000111.4F874 D880 L881 V882 H892 L894 V906 I911L858-F874 HydrophobicContact CB-CD1 4.19Å; L858-F874 HydrophobicContact CB-CE1 3.39Å; L858-F874 HydrophobicContact CB-CE2 4.17Å; L858-F874 HydrophobicContact CB-CZ 3.4Å; L858-F874 VanDerWaalsContact CB-CZ 3.4Å; L858-F874 HydrophobicContact CD2-CD1 3.86Å; L858-F874 HydrophobicContact CD2-CD2 3.83Å; L858-F874 HydrophobicContact CD2-CE1 3.85Å; L858-F874 HydrophobicContact CD2-CE2 3.83Å; L858-F874 HydrophobicContact CD2-CG 3.85Å; L858-F874 HydrophobicContact CD2-CZ 3.86Å; L858-F874 HydrophobicContact CG-CE1 4.26Å; L858-F874 HydrophobicContact CG-CE2 4.5Å; L858-F874 HydrophobicContact CG-CZ 4.18Å; L858-D880 PolarHBondContact N-O 2.86Å; L858-L881 HydrophobicContact CB-CD2 4.28Å; L858-L881 HydrophobicContact CD2-CD2 4.17Å; L858-V882 PolarHBondContact O-N 3.4Å; L858-H892 WeakPolarHBondContact CA-O 3.27Å; L858-H892 HydrophobicContact CD1-CB 3.58Å; L858-L894 HydrophobicContact CD1-CD1 3.57Å; L858-L894 HydrophobicContact CD2-CD1 3.8Å; L858-L894 HydrophobicContact CG-CD1 3.85Å; L858-V906 HydrophobicContact CD1-CG2 3.82Å; L858-I911 HydrophobicContact CD2-CD1 3.9Å
859F89.5Confident84.7Confident24 Ų2464.1 Ų64.111%0.10535%0.351CS..EExtended strand (participates in β ladder)trans-86.2120.6163.2-179.3-135.8000109.6P861 D884 A890 H892 T893 L894F859-P861 HydrophobicContact CD1-CG 4.35Å; F859-P861 HydrophobicContact CE1-CG 3.85Å; F859-P861 HydrophobicContact CE2-CG 4.43Å; F859-P861 HydrophobicContact CZ-CB 4.44Å; F859-P861 HydrophobicContact CZ-CG 3.89Å; F859-D884 HydrophobicContact CE2-CB 4.22Å; F859-D884 HydrophobicContact CZ-CB 4.49Å; F859-A890 HydrophobicContact CB-CB 3.8Å; F859-H892 PolarHBondContact N-O 3Å; F859-T893 WeakPolarHBondContact O-CA 3.4Å; F859-L894 PolarHBondContact O-N 2.9Å
860L88Confident85.4Confident8 Ų860.4 Ų60.44%0.04233%0.331CS..  trans-125.6100.2-179.8175.370.2000107.6V864 F867 L870 R871 L881 L894L860-V864 HydrophobicContact CD1-CB 3.99Å; L860-V864 HydrophobicContact CD1-CG1 4Å; L860-V864 HydrophobicContact CD1-CG2 4.15Å; L860-F867 HydrophobicContact CD2-CD2 3.75Å; L860-F867 HydrophobicContact CD2-CE2 3.86Å; L860-F867 HydrophobicContact CG-CD2 3.75Å; L860-F867 HydrophobicContact CG-CE2 3.87Å; L860-F867 WeakPolarHBondContact O-CE2 3.46Å; L860-L870 HydrophobicContact CD1-CD1 4.25Å; L860-L870 HydrophobicContact CD2-CB 4.18Å; L860-R871 HydrophobicContact CD2-CB 3.98Å; L860-L881 HydrophobicContact CB-CD2 4.01Å; L860-L881 HydrophobicContact CD2-CD2 4.33Å; L860-L894 HydrophobicContact CD1-CB 4.26Å; L860-L894 HydrophobicContact CD1-CD1 4Å; L860-L894 HydrophobicContact CD1-CD2 3.81Å; L860-L894 HydrophobicContact CD1-CG 4.25Å
861P83.3Confident85.8Confident15 Ų1561.9 Ų61.910%0.09733%0.331CS..  trans-64.2145.1176.6-22.432.4000112.8F859 S863 V864F859-P861 HydrophobicContact CD1-CG 4.35Å; F859-P861 HydrophobicContact CE1-CG 3.85Å; F859-P861 HydrophobicContact CE2-CG 4.43Å; F859-P861 HydrophobicContact CZ-CB 4.44Å; F859-P861 HydrophobicContact CZ-CG 3.89Å; P861-S863 PolarHBondContact O-N 3.13Å; P861-V864 HydrophobicContact CB-CG2 4.32Å; P861-V864 HydrophobicContact CG-CG2 4.42Å; P861-V864 WeakPolarHBondContact O-CB 3.3Å; P861-V864 WeakPolarHBondContact O-CG2 3.38Å; P861-V864 PolarHBondContact O-N 2.88Å
862D81.9Confident85.9Confident119 Ų11967 Ų6764%0.63634%0.344SS*.THydrogen-bonded Turntrans-58-16.7173.6-80.111.4000113.3V864 F867D862-V864 VanDerWaalsContact C-N 3.31Å; D862-V864 PolarHBondContact O-N 3.07Å; D862-F867 WeakPolarHBondContact OD1-CE2 3.32Å; D862-F867 WeakPolarHBondContact OD1-CZ 3.47Å
863S79.1Confident85.9Confident111 Ų11171.2 Ų71.278%0.77636%0.359SS*.THydrogen-bonded Turntrans-78.9-5.4176.358.20000114.8P861P861-S863 PolarHBondContact O-N 3.13Å
864V81.2Confident85.8Confident23 Ų2371.2 Ų71.214%0.13936%0.359CS..SBendtrans-81130.9-178.71790000111.3L860 P861 D862 F867 L870 L894 P908L860-V864 HydrophobicContact CD1-CB 3.99Å; L860-V864 HydrophobicContact CD1-CG1 4Å; L860-V864 HydrophobicContact CD1-CG2 4.15Å; P861-V864 HydrophobicContact CB-CG2 4.32Å; P861-V864 HydrophobicContact CG-CG2 4.42Å; P861-V864 WeakPolarHBondContact O-CB 3.3Å; P861-V864 WeakPolarHBondContact O-CG2 3.38Å; P861-V864 PolarHBondContact O-N 2.88Å; D862-V864 VanDerWaalsContact C-N 3.31Å; D862-V864 PolarHBondContact O-N 3.07Å; V864-F867 WeakPolarHBondContact O-CB 3.44Å; V864-F867 PolarHBondContact O-N 3.38Å; V864-F867 VanDerWaalsContact O-N 3.16Å; V864-L870 HydrophobicContact CG1-CD1 3.84Å; V864-L894 HydrophobicContact CG1-CD2 4.02Å; V864-L894 HydrophobicContact CG2-CB 4.05Å; V864-P908 HydrophobicContact CG1-CG 4.18Å
865Q76.5Confident85.9Confident178 Ų17871.3 Ų71.383%0.83236%0.357SS*.THydrogen-bonded Turntrans-59.3144.3175.4-66.9-175.5-3.300111.9F867 L870Q865-F867 PolarHBondContact O-N 3.1Å; Q865-L870 WeakPolarHBondContact O-CD1 3.49Å
866D81.1Confident86Confident89 Ų8970.5 Ų70.548%0.47634%0.344SS..THydrogen-bonded Turntrans60.820.7-172.1-9718.6000114.6D868 R869 L870D866-D868 PolarHBondContact O-N 2.84Å; D866-R869 HydrophobicContact CB-CB 4.31Å; D866-R869 WeakPolarHBondContact O-CA 3.48Å; D866-R869 VanDerWaalsContact O-CB 3.3Å; D866-R869 WeakPolarHBondContact O-CB 3.39Å; D866-R869 PolarHBondContact O-N 3.47Å; D866-R869 WeakPolarHBondContact OD2-CD 3.43Å; D866-R869 IonicContact OD2-CZ 2.85Å; D866-R869 IonicContact OD2-NE 3.91Å; D866-R869 IonicContact OD2-NH1 3.94Å; D866-R869 PolarHBondContact OD2-NH1 2.74Å; D866-L870 HydrophobicContact CB-CG 4.34Å; D866-L870 PolarHBondContact O-N 2.98Å
867F84.5Confident86.1Confident34 Ų3472.1 Ų72.115%0.14935%0.349CS..Hα-helixtrans-35.6-64-179.6175.4-98.8000114.9L860 D862 V864 Q865 R869 L870 R871L860-F867 HydrophobicContact CD2-CD2 3.75Å; L860-F867 HydrophobicContact CD2-CE2 3.86Å; L860-F867 HydrophobicContact CG-CD2 3.75Å; L860-F867 HydrophobicContact CG-CE2 3.87Å; L860-F867 WeakPolarHBondContact O-CE2 3.46Å; D862-F867 WeakPolarHBondContact OD1-CE2 3.32Å; D862-F867 WeakPolarHBondContact OD1-CZ 3.47Å; V864-F867 WeakPolarHBondContact O-CB 3.44Å; V864-F867 PolarHBondContact O-N 3.38Å; V864-F867 VanDerWaalsContact O-N 3.16Å; Q865-F867 PolarHBondContact O-N 3.1Å; F867-R869 PolarHBondContact O-N 3.21Å; F867-R869 VanDerWaalsContact O-N 3.16Å; F867-L870 PolarHBondContact O-N 3.46Å; F867-L870 VanDerWaalsContact O-N 3.16Å; F867-R871 WeakPolarHBondContact O-CB 3.41Å; F867-R871 PolarHBondContact O-N 2.71Å
868D83.8Confident86.1Confident121 Ų12170.8 Ų70.865%0.64735%0.346SS*.Hα-helixtrans-59.3-32.2-176.7-82.1-44.3000112.8D866 R872D866-D868 PolarHBondContact O-N 2.84Å; D868-R872 WeakPolarHBondContact O-CB 3.5Å; D868-R872 PolarHBondContact O-N 3.47Å
869R87.3Confident86Confident133 Ų13371 Ų7150%0.50235%0.348SS..Hα-helixtrans-75.2-47178.5-171.2-167.4-175.31742.8110.6D866 F867 R872 Y873 W912D866-R869 HydrophobicContact CB-CB 4.31Å; D866-R869 WeakPolarHBondContact O-CA 3.48Å; D866-R869 VanDerWaalsContact O-CB 3.3Å; D866-R869 WeakPolarHBondContact O-CB 3.39Å; D866-R869 PolarHBondContact O-N 3.47Å; D866-R869 WeakPolarHBondContact OD2-CD 3.43Å; D866-R869 IonicContact OD2-CZ 2.85Å; D866-R869 IonicContact OD2-NE 3.91Å; D866-R869 IonicContact OD2-NH1 3.94Å; D866-R869 PolarHBondContact OD2-NH1 2.74Å; F867-R869 PolarHBondContact O-N 3.21Å; F867-R869 VanDerWaalsContact O-N 3.16Å; R869-R872 PolarHBondContact O-N 3.35Å; R869-Y873 HydrophobicContact CG-CD2 4.18Å; R869-Y873 HydrophobicContact CG-CE2 4.27Å; R869-Y873 VanDerWaalsContact O-CD2 3.31Å; R869-Y873 WeakPolarHBondContact O-CD2 3.47Å; R869-Y873 PolarHBondContact O-N 3.4Å; R869-W912 HydrophobicContact CG-CH2 4.13Å; R869-W912 HydrophobicContact CG-CZ2 4.07Å
870L87.6Confident86Confident1 Ų174.2 Ų74.21%0.00537%0.366CS..Hα-helixtrans-60.4-49.6175.8-63175.2000110.2L860 V864 Q865 D866 F867 R872 Y873 F874 L894 P908 I911 W912L860-L870 HydrophobicContact CD1-CD1 4.25Å; L860-L870 HydrophobicContact CD2-CB 4.18Å; V864-L870 HydrophobicContact CG1-CD1 3.84Å; Q865-L870 WeakPolarHBondContact O-CD1 3.49Å; D866-L870 HydrophobicContact CB-CG 4.34Å; D866-L870 PolarHBondContact O-N 2.98Å; F867-L870 PolarHBondContact O-N 3.46Å; F867-L870 VanDerWaalsContact O-N 3.16Å; L870-R872 PolarHBondContact O-N 2.77Å; L870-Y873 PolarHBondContact O-N 2.8Å; L870-F874 WeakPolarHBondContact O-CB 3.36Å; L870-F874 PolarHBondContact O-N 2.69Å; L870-L894 HydrophobicContact CD1-CD2 4.23Å; L870-P908 HydrophobicContact CD1-CB 3.99Å; L870-P908 HydrophobicContact CD1-CG 4.36Å; L870-P908 HydrophobicContact CD2-CB 4.37Å; L870-I911 HydrophobicContact CB-CD1 4.33Å; L870-I911 HydrophobicContact CD2-CD1 4.29Å; L870-W912 HydrophobicContact CD2-CZ2 3.96Å
871R90.3Very high86.1Confident123 Ų12376.6 Ų76.646%0.46438%0.378SS..Hα-helixtrans-51.5-54.2172.9166.6163.3-169.8-178.94.7112.2L860 F867 Y873 V875 L881L860-R871 HydrophobicContact CD2-CB 3.98Å; F867-R871 WeakPolarHBondContact O-CB 3.41Å; F867-R871 PolarHBondContact O-N 2.71Å; R871-Y873 PolarHBondContact O-N 2.78Å; R871-V875 WeakPolarHBondContact O-CG2 3.28Å; R871-V875 PolarHBondContact O-N 3.08Å; R871-V875 VanDerWaalsContact O-N 3.14Å; R871-L881 HydrophobicContact CB-CD1 4.01Å; R871-L881 HydrophobicContact CG-CD1 3.56Å
872R89.6Confident86.3Confident193 Ų19376.4 Ų76.473%0.72838%0.377SS*.Hα-helixtrans-62.7-41.7-177.6-179.8174.7179.31701112.4D868 R869 L870 A876D868-R872 WeakPolarHBondContact O-CB 3.5Å; D868-R872 PolarHBondContact O-N 3.47Å; R869-R872 PolarHBondContact O-N 3.35Å; L870-R872 PolarHBondContact O-N 2.77Å; R872-A876 WeakPolarHBondContact O-CB 3.41Å; R872-A876 PolarHBondContact O-N 2.95Å; R872-A876 VanDerWaalsContact O-N 3.17Å
873Y89.1Confident86.3Confident98 Ų9873 Ų7338%0.38436%0.362SS..Hα-helixtrans-76.1-39.6-179.9-84.5-102.6000112.3R869 L870 R871 A876 Y877 W912 I915R869-Y873 HydrophobicContact CG-CD2 4.18Å; R869-Y873 HydrophobicContact CG-CE2 4.27Å; R869-Y873 VanDerWaalsContact O-CD2 3.31Å; R869-Y873 WeakPolarHBondContact O-CD2 3.47Å; R869-Y873 PolarHBondContact O-N 3.4Å; L870-Y873 PolarHBondContact O-N 2.8Å; R871-Y873 PolarHBondContact O-N 2.78Å; Y873-A876 PolarHBondContact O-N 2.86Å; Y873-Y877 HydrophobicContact CD1-CE2 4.16Å; Y873-Y877 WeakPolarHBondContact O-CD2 3.17Å; Y873-Y877 PolarHBondContact O-N 3.49Å; Y873-W912 AromaticContact CD1-CH2 3.89Å; Y873-W912 HydrophobicContact CD1-CH2 3.89Å; Y873-W912 AromaticContact CD1-CZ3 3.58Å; Y873-W912 HydrophobicContact CD1-CZ3 3.58Å; Y873-W912 AromaticContact CD2-CH2 3.74Å; Y873-W912 HydrophobicContact CD2-CH2 3.74Å; Y873-W912 HydrophobicContact CD2-CZ3 4.3Å; Y873-W912 HydrophobicContact CE1-CH2 4.32Å; Y873-W912 HydrophobicContact CE1-CZ3 4.01Å; Y873-W912 HydrophobicContact CE2-CH2 4.18Å; Y873-W912 AromaticContact CG-CH2 3.57Å; Y873-W912 HydrophobicContact CG-CH2 3.57Å; Y873-W912 AromaticContact CG-CZ3 3.73Å; Y873-W912 HydrophobicContact CG-CZ3 3.73Å; Y873-I915 HydrophobicContact CD1-CD1 4.39Å
874F88.5Confident86.2Confident0 Ų072.4 Ų72.40%035%0.35CS..Hα-helixtrans-60.6-49.8178.2-174.2-104.3000111.9F853 V856 L858 L870 A876 Y877 G879 L881 I911F853-F874 HydrophobicContact CB-CD2 4.25Å; F853-F874 HydrophobicContact CB-CE2 3.72Å; F853-F874 HydrophobicContact CB-CZ 4.07Å; F853-F874 AromaticContact CD1-CD2 3.92Å; F853-F874 HydrophobicContact CD1-CD2 3.92Å; F853-F874 AromaticContact CD1-CE2 3.45Å; F853-F874 HydrophobicContact CD1-CE2 3.45Å; F853-F874 VanDerWaalsContact CD1-CE2 3.45Å; F853-F874 HydrophobicContact CD1-CZ 4.46Å; F853-F874 AromaticContact CD2-CD2 3.63Å; F853-F874 HydrophobicContact CD2-CD2 3.63Å; F853-F874 AromaticContact CD2-CE2 3.91Å; F853-F874 HydrophobicContact CD2-CE2 3.91Å; F853-F874 HydrophobicContact CD2-CG 4.44Å; F853-F874 HydrophobicContact CE1-CD2 4.07Å; F853-F874 AromaticContact CE1-CE2 3.93Å; F853-F874 HydrophobicContact CE1-CE2 3.93Å; F853-F874 AromaticContact CE2-CD2 3.82Å; F853-F874 HydrophobicContact CE2-CD2 3.82Å; F853-F874 HydrophobicContact CE2-CE2 4.35Å; F853-F874 AromaticContact CG-CD2 3.68Å; F853-F874 HydrophobicContact CG-CD2 3.68Å; F853-F874 AromaticContact CG-CE2 3.42Å; F853-F874 HydrophobicContact CG-CE2 3.42Å; F853-F874 VanDerWaalsContact CG-CE2 3.42Å; F853-F874 HydrophobicContact CG-CZ 4.27Å; F853-F874 HydrophobicContact CZ-CD2 4.03Å; F853-F874 HydrophobicContact CZ-CE2 4.36Å; V856-F874 HydrophobicContact CB-CZ 4.1Å; V856-F874 HydrophobicContact CG1-CE2 4.19Å; V856-F874 HydrophobicContact CG1-CZ 3.84Å; V856-F874 WeakPolarHBondContact O-CZ 3.24Å; L858-F874 HydrophobicContact CB-CD1 4.19Å; L858-F874 HydrophobicContact CB-CE1 3.39Å; L858-F874 HydrophobicContact CB-CE2 4.17Å; L858-F874 HydrophobicContact CB-CZ 3.4Å; L858-F874 VanDerWaalsContact CB-CZ 3.4Å; L858-F874 HydrophobicContact CD2-CD1 3.86Å; L858-F874 HydrophobicContact CD2-CD2 3.83Å; L858-F874 HydrophobicContact CD2-CE1 3.85Å; L858-F874 HydrophobicContact CD2-CE2 3.83Å; L858-F874 HydrophobicContact CD2-CG 3.85Å; L858-F874 HydrophobicContact CD2-CZ 3.86Å; L858-F874 HydrophobicContact CG-CE1 4.26Å; L858-F874 HydrophobicContact CG-CE2 4.5Å; L858-F874 HydrophobicContact CG-CZ 4.18Å; L870-F874 WeakPolarHBondContact O-CB 3.36Å; L870-F874 PolarHBondContact O-N 2.69Å; F874-A876 VanDerWaalsContact C-N 3.34Å; F874-A876 PolarHBondContact O-N 2.79Å; F874-Y877 CarbonylContact O-C 3.46Å; F874-Y877 PolarHBondContact O-N 3.37Å; F874-G879 PolarHBondContact O-N 3.35Å; F874-L881 HydrophobicContact CD1-CD2 3.78Å; F874-L881 HydrophobicContact CD1-CG 4.03Å; F874-L881 HydrophobicContact CE1-CD2 4.21Å; F874-I911 HydrophobicContact CD2-CG2 4.48Å
875V89.7Confident86.1Confident78 Ų7881.3 Ų81.347%0.47338%0.382SS..Hα-helixtrans-65.6-35.2176.51770000112.1R871 Y877 D878 L881R871-V875 WeakPolarHBondContact O-CG2 3.28Å; R871-V875 PolarHBondContact O-N 3.08Å; R871-V875 VanDerWaalsContact O-N 3.14Å; V875-Y877 PolarHBondContact O-N 2.77Å; V875-D878 PolarHBondContact O-N 2.99Å; V875-L881 HydrophobicContact CG2-CD1 3.56Å; V875-L881 HydrophobicContact CG2-CG 3.91Å
876A87Confident86.2Confident44 Ų4476.1 Ų76.136%0.36436%0.36SS..Hα-helixtrans-69.2-16.2178.700000114.3L849 R872 Y873 F874L849-A876 WeakPolarHBondContact CB-O 3.49Å; L849-A876 HydrophobicContact CD1-CB 3.81Å; L849-A876 VanDerWaalsContact CD1-O 3.25Å; L849-A876 WeakPolarHBondContact CD1-O 3.41Å; R872-A876 WeakPolarHBondContact O-CB 3.41Å; R872-A876 PolarHBondContact O-N 2.95Å; R872-A876 VanDerWaalsContact O-N 3.17Å; Y873-A876 PolarHBondContact O-N 2.86Å; F874-A876 VanDerWaalsContact C-N 3.34Å; F874-A876 PolarHBondContact O-N 2.79Å
877Y88.7Confident85.7Confident46 Ų4672.8 Ų72.818%0.1834%0.344CS..THydrogen-bonded Turntrans-113.133.2173.2-72.2-92.4000111.8L849 L850 I852 F853 Y873 F874 V875 I915L849-Y877 HydrophobicContact CB-CD1 4.33Å; L849-Y877 HydrophobicContact CB-CE1 4.32Å; L849-Y877 HydrophobicContact CD1-CE2 4.35Å; L849-Y877 HydrophobicContact CD2-CE1 4.28Å; L850-Y877 HydrophobicContact CB-CD1 4.36Å; L850-Y877 WeakPolarHBondContact O-CA 3.21Å; L850-Y877 VanDerWaalsContact O-CD1 3.26Å; L850-Y877 WeakPolarHBondContact O-CD1 3.41Å; I852-Y877 HydrophobicContact CB-CD1 4.5Å; I852-Y877 HydrophobicContact CD1-CD1 3.37Å; I852-Y877 HydrophobicContact CD1-CE1 3.79Å; I852-Y877 HydrophobicContact CD1-CG 4.14Å; I852-Y877 HydrophobicContact CG1-CD1 3.87Å; I852-Y877 PolarHBondContact N-O 2.97Å; F853-Y877 PolarHBondContact N-O 3.09Å; Y873-Y877 HydrophobicContact CD1-CE2 4.16Å; Y873-Y877 WeakPolarHBondContact O-CD2 3.17Å; Y873-Y877 PolarHBondContact O-N 3.49Å; F874-Y877 CarbonylContact O-C 3.46Å; F874-Y877 PolarHBondContact O-N 3.37Å; V875-Y877 PolarHBondContact O-N 2.77Å; Y877-I915 HydrophobicContact CD2-CD1 4.14Å; Y877-I915 HydrophobicContact CD2-CG1 4.25Å; Y877-I915 HydrophobicContact CE2-CD1 4.33Å; Y877-I915 HydrophobicContact CE2-CG1 4.48Å; Y877-I915 HydrophobicContact CE2-CG2 4.2Å; Y877-I915 HydrophobicContact CG-CG1 4.48Å
878D90.6Very high85.2Confident48 Ų4874.9 Ų74.926%0.25737%0.367SS..THydrogen-bonded Turntrans70.631171.1-152.852000116.9K847 D851 F853 S854 V875K847-D878 WeakPolarHBondContact CE-OD1 3.19Å; K847-D878 IonicContact NZ-OD1 2.89Å; K847-D878 PolarHBondContact NZ-OD1 2.73Å; K847-D878 IonicContact NZ-OD2 3.58Å; K847-D878 PolarHBondContact NZ-OD2 3.24Å; D851-D878 HydrophobicContact CB-CB 3.87Å; D851-D878 WeakPolarHBondContact OD1-CB 3.39Å; F853-D878 CarbonylContact C-O 3.58Å; S854-D878 WeakPolarHBondContact CA-O 3.15Å; S854-D878 WeakPolarHBondContact CB-OD2 3.31Å; S854-D878 PolarHBondContact N-O 3.02Å; S854-D878 PolarHBondContact OG-OD2 3.5Å; V875-D878 PolarHBondContact O-N 2.99Å
879G88Confident85.1Confident4 Ų470.9 Ų70.94%0.04135%0.349CS..PPolyproline II helixtrans-94.6135.217500000114F874F874-G879 PolarHBondContact O-N 3.35Å
880D90.1Very high85Confident93 Ų9364.9 Ų64.950%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-84.7121.3177.4-80-38.6000111.4V856 K857 L858V856-D880 PolarHBondContact O-N 3.14Å; V856-D880 VanDerWaalsContact O-N 3.09Å; K857-D880 CarbonylContact C-O 3.57Å; K857-D880 WeakPolarHBondContact CA-O 3.4Å; K857-D880 HydrophobicContact CG-CB 4.09Å; L858-D880 PolarHBondContact N-O 2.86Å
881L89.4Confident84.9Confident57 Ų5767.5 Ų67.530%0.29834%0.344SS..EExtended strand (participates in β ladder)trans-89.5129.1172.9-72.5172.6000111.6L858 L860 R871 F874 V875L858-L881 HydrophobicContact CB-CD2 4.28Å; L858-L881 HydrophobicContact CD2-CD2 4.17Å; L860-L881 HydrophobicContact CB-CD2 4.01Å; L860-L881 HydrophobicContact CD2-CD2 4.33Å; R871-L881 HydrophobicContact CB-CD1 4.01Å; R871-L881 HydrophobicContact CG-CD1 3.56Å; F874-L881 HydrophobicContact CD1-CD2 3.78Å; F874-L881 HydrophobicContact CD1-CG 4.03Å; F874-L881 HydrophobicContact CE1-CD2 4.21Å; V875-L881 HydrophobicContact CG2-CD1 3.56Å; V875-L881 HydrophobicContact CG2-CG 3.91Å
882V88.2Confident84.8Confident11 Ų1162.5 Ų62.57%0.06733%0.326CS..EExtended strand (participates in β ladder)trans-93.1128.4177.1-179.50000109.1K857 L858 D886 A890K857-V882 HydrophobicContact CB-CG2 3.75Å; K857-V882 HydrophobicContact CD-CG2 4.25Å; K857-V882 HydrophobicContact CG-CG2 4.22Å; L858-V882 PolarHBondContact O-N 3.4Å; V882-D886 HydrophobicContact CG1-CB 3.98Å; V882-D886 WeakPolarHBondContact CG1-O 3.37Å; V882-A890 HydrophobicContact CB-CB 4.3Å; V882-A890 HydrophobicContact CG1-CB 4.38Å; V882-A890 HydrophobicContact CG2-CB 4.04Å
883P82.3Confident84.8Confident48 Ų4853.4 Ų53.431%0.31229%0.292SS..PPolyproline II helixtrans-77.9156.2175.133.5-35.1000111.6Y885 D886P883-Y885 VanDerWaalsContact C-N 3.25Å; P883-Y885 HydrophobicContact CB-CD1 4.06Å; P883-Y885 HydrophobicContact CB-CE1 3.62Å; P883-Y885 HydrophobicContact CG-CD1 4.23Å; P883-Y885 HydrophobicContact CG-CD2 4.46Å; P883-Y885 HydrophobicContact CG-CE1 3.64Å; P883-Y885 HydrophobicContact CG-CE2 3.9Å; P883-Y885 VanDerWaalsContact CG-CZ 3.45Å; P883-Y885 PolarHBondContact O-N 2.87Å; P883-D886 HydrophobicContact CG-CB 4.27Å; P883-D886 PolarHBondContact O-N 3.26Å
884D77.7Confident84.5Confident98 Ų9849.6 Ų49.652%0.52428%0.278SS..G310 helixtrans-49.6-39-172.6-59.238.8000114.4F859 D886 S887F859-D884 HydrophobicContact CE2-CB 4.22Å; F859-D884 HydrophobicContact CZ-CB 4.49Å; D884-D886 PolarHBondContact O-N 2.85Å; D884-S887 PolarHBondContact O-N 3.11Å
885Y77.2Confident83.9Confident211 Ų21150.2 Ų50.283%0.82728%0.284SS*.G310 helixtrans-73.7-5.9-179.863.4-100000114.7P883P883-Y885 VanDerWaalsContact C-N 3.25Å; P883-Y885 HydrophobicContact CB-CD1 4.06Å; P883-Y885 HydrophobicContact CB-CE1 3.62Å; P883-Y885 HydrophobicContact CG-CD1 4.23Å; P883-Y885 HydrophobicContact CG-CD2 4.46Å; P883-Y885 HydrophobicContact CG-CE1 3.64Å; P883-Y885 HydrophobicContact CG-CE2 3.9Å; P883-Y885 VanDerWaalsContact CG-CZ 3.45Å; P883-Y885 PolarHBondContact O-N 2.87Å
886D79.1Confident83.1Confident68 Ų6852.1 Ų52.136%0.36429%0.292SS..G310 helixtrans-123.620.5178.6-170.247.9000111.5V882 P883 D884 A888 S889V882-D886 HydrophobicContact CG1-CB 3.98Å; V882-D886 WeakPolarHBondContact CG1-O 3.37Å; P883-D886 HydrophobicContact CG-CB 4.27Å; P883-D886 PolarHBondContact O-N 3.26Å; D884-D886 PolarHBondContact O-N 2.85Å; D886-A888 PolarHBondContact O-N 2.72Å; D886-S889 PolarHBondContact O-N 3.33Å; D886-S889 WeakPolarHBondContact OD1-CB 3.4Å; D886-S889 VanDerWaalsContact OD2-CB 3.27Å; D886-S889 WeakPolarHBondContact OD2-CB 3.44Å; D886-S889 PolarHBondContact OD2-OG 2.7Å
887S71.4Confident82Confident19 Ų1953.1 Ų53.113%0.13330%0.295CS..G310 helixtrans-44.3-35.3-179.664.50000114.2D884 S889 A890 E898D884-S887 PolarHBondContact O-N 3.11Å; S887-S889 VanDerWaalsContact C-N 3.3Å; S887-S889 PolarHBondContact O-N 2.91Å; S887-A890 WeakPolarHBondContact O-CB 3.45Å; S887-A890 PolarHBondContact O-N 3.07Å; S887-E898 WeakPolarHBondContact CB-OE2 3.37Å; S887-E898 PolarHBondContact OG-OE2 3.05Å
888A74.4Confident80.6Confident78 Ų7856.8 Ų56.865%0.64531%0.313SS*.G310 helixtrans-68.3-18.4178.500000114.9D886D886-A888 PolarHBondContact O-N 2.72Å
889S80.4Confident78.8Confident37 Ų3759 Ų5926%0.25935%0.348SS..G310 helixtrans-89.2-4.6176.8107.70000113.7K857 D886 S887K857-S889 WeakPolarHBondContact CD-O 3.3Å; K857-S889 PolarHBondContact NZ-OG 2.86Å; D886-S889 PolarHBondContact O-N 3.33Å; D886-S889 WeakPolarHBondContact OD1-CB 3.4Å; D886-S889 VanDerWaalsContact OD2-CB 3.27Å; D886-S889 WeakPolarHBondContact OD2-CB 3.44Å; D886-S889 PolarHBondContact OD2-OG 2.7Å; S887-S889 VanDerWaalsContact C-N 3.3Å; S887-S889 PolarHBondContact O-N 2.91Å
890A84.7Confident77.4Confident8 Ų862.6 Ų62.67%0.06639%0.385CS..  trans-69.8140.2179.200000113F859 V882 S887 A903F859-A890 HydrophobicContact CB-CB 3.8Å; V882-A890 HydrophobicContact CB-CB 4.3Å; V882-A890 HydrophobicContact CG1-CB 4.38Å; V882-A890 HydrophobicContact CG2-CB 4.04Å; S887-A890 WeakPolarHBondContact O-CB 3.45Å; S887-A890 PolarHBondContact O-N 3.07Å; A890-A903 HydrophobicContact CB-CB 4.35Å; A890-A903 WeakPolarHBondContact O-CB 3.2Å
891T85.9Confident76.2Confident56 Ų5659.8 Ų59.834%0.34437%0.373SS..SBendtrans-85.5-28170.661.30000112K857 A903 Q904K857-T891 HydrophobicContact CB-CG2 4.15Å; K857-T891 PolarHBondContact N-OG1 2.91Å; K857-T891 WeakPolarHBondContact O-CA 3.42Å; K857-T891 PolarHBondContact O-N 2.86Å; K857-T891 PolarHBondContact O-OG1 3.49Å; T891-A903 WeakPolarHBondContact O-CA 3.44Å; T891-Q904 PolarHBondContact O-N 3.16Å
892H89.3Confident75.1Confident18 Ų1868.7 Ų68.78%0.08340%0.402CS..EExtended strand (participates in β ladder)trans-139.4151.2-177.5-65.375.5000109.9K857 L858 F859 Q904 V906 W910K857-H892 PolarHBondContact O-N 2.88Å; L858-H892 WeakPolarHBondContact CA-O 3.27Å; L858-H892 HydrophobicContact CD1-CB 3.58Å; F859-H892 PolarHBondContact N-O 3Å; H892-Q904 CarbonylContact C-O 3.55Å; H892-Q904 WeakPolarHBondContact CA-O 3.43Å; H892-V906 HydrophobicContact CB-CG2 4.11Å; H892-W910 AromaticContact CD2-CH2 3.86Å; H892-W910 AromaticContact CD2-CZ2 3.88Å; H892-W910 AromaticContact NE2-CH2 3.97Å; H892-W910 AromaticContact NE2-CZ2 3.79Å
893T88Confident74.6Confident2 Ų268.8 Ų68.81%0.01240%0.404CS..EExtended strand (participates in β ladder)trans-142.5143.6178.5-1790000112.7F859 G895 P897 A903 Q904 R905 V906F859-T893 WeakPolarHBondContact O-CA 3.4Å; T893-G895 PolarHBondContact OG1-N 2.83Å; T893-G895 VanDerWaalsContact OG1-N 3.08Å; T893-P897 HydrophobicContact CG2-CB 4.24Å; T893-A903 HydrophobicContact CG2-CB 4.01Å; T893-Q904 PolarHBondContact N-O 2.93Å; T893-R905 CarbonylContact O-C 3.56Å; T893-R905 WeakPolarHBondContact O-CA 3.11Å; T893-V906 WeakPolarHBondContact O-CG2 3.38Å; T893-V906 PolarHBondContact O-N 2.7Å
894L83.8Confident74.7Confident18 Ų1871.4 Ų71.49%0.09441%0.412CS..SBendtrans-94.9-12.9168.6-74.186.2000113L858 F859 L860 V864 L870 V906 P908 I911L858-L894 HydrophobicContact CD1-CD1 3.57Å; L858-L894 HydrophobicContact CD2-CD1 3.8Å; L858-L894 HydrophobicContact CG-CD1 3.85Å; F859-L894 PolarHBondContact O-N 2.9Å; L860-L894 HydrophobicContact CD1-CB 4.26Å; L860-L894 HydrophobicContact CD1-CD1 4Å; L860-L894 HydrophobicContact CD1-CD2 3.81Å; L860-L894 HydrophobicContact CD1-CG 4.25Å; V864-L894 HydrophobicContact CG1-CD2 4.02Å; V864-L894 HydrophobicContact CG2-CB 4.05Å; L870-L894 HydrophobicContact CD1-CD2 4.23Å; L894-V906 HydrophobicContact CD1-CG2 3.87Å; L894-V906 HydrophobicContact CG-CG2 4.21Å; L894-P908 HydrophobicContact CD2-CB 4.4Å; L894-P908 HydrophobicContact CD2-CG 3.91Å; L894-I911 HydrophobicContact CD1-CD1 4.32Å; L894-I911 HydrophobicContact CD2-CD1 4.38Å
895G76Confident75Confident13 Ų1372.9 Ų72.913%0.13441%0.411CS..SBendtrans-82.3178.417000000112.5T893T893-G895 PolarHBondContact OG1-N 2.83Å; T893-G895 VanDerWaalsContact OG1-N 3.08Å
896D72.7Confident75.5Confident117 Ų11763.3 Ų63.363%0.62637%0.374SS*.PPolyproline II helixtrans-70.1132.4160.5-68.7-74.7000109E898 R905D896-E898 PolarHBondContact O-N 2.85Å; D896-R905 IonicContact OD1-CZ 2.59Å; D896-R905 IonicContact OD1-NH1 3.3Å; D896-R905 PolarHBondContact OD1-NH1 2.91Å; D896-R905 IonicContact OD1-NH2 2.65Å; D896-R905 PolarHBondContact OD1-NH2 3.24Å; D896-R905 IonicContact OD2-NH2 3.17Å; D896-R905 PolarHBondContact OD2-NH2 3.16Å
897P63.4Low75.9Confident65 Ų6562 Ų6242%0.42237%0.37SS..PPolyproline II helixtrans-71.4129.2-176.827.3-33.5000111.4T893T893-P897 HydrophobicContact CG2-CB 4.24Å
898E60.3Low76.6Confident123 Ų12363.9 Ų63.958%0.57538%0.382SS*.PPolyproline II helixtrans-64.3147.3175.3-64.7-174.7115.900111.9S887 D896 G900 S901S887-E898 WeakPolarHBondContact CB-OE2 3.37Å; S887-E898 PolarHBondContact OG-OE2 3.05Å; D896-E898 PolarHBondContact O-N 2.85Å; E898-G900 PolarHBondContact O-N 2.81Å; E898-S901 PolarHBondContact O-N 3.16Å
899G51.6Low77Confident96 Ų9663.8 Ų63.899%0.9938%0.376SS*.THydrogen-bonded Turntrans-59.8100.5-167.900000113.8
900G59.7Low77.5Confident79 Ų7962.2 Ų62.281%0.81437%0.365SS*.THydrogen-bonded Turntrans124.2-12.6-179.900000114.5E898E898-G900 PolarHBondContact O-N 2.81Å
901S64.1Low77.7Confident34 Ų3461.9 Ų61.924%0.23836%0.362CS..  trans-67.8146176.9-173.50000112.5E898 A903E898-S901 PolarHBondContact O-N 3.16Å; S901-A903 WeakPolarHBondContact OG-CB 3.47Å; S901-A903 PolarHBondContact OG-N 2.9Å
902R67.9Low77.9Confident243 Ų24362.6 Ų62.692%0.91736%0.358SS*.  trans-95.87.5170.9-67.9-174.7177.1-176.4-0.4113
903A77.6Confident77.9Confident13 Ų1364 Ų6411%0.10737%0.365CS..PPolyproline II helixtrans-63.1134.3-178.300000112.2A890 T891 T893 S901A890-A903 HydrophobicContact CB-CB 4.35Å; A890-A903 WeakPolarHBondContact O-CB 3.2Å; T891-A903 WeakPolarHBondContact O-CA 3.44Å; T893-A903 HydrophobicContact CG2-CB 4.01Å; S901-A903 WeakPolarHBondContact OG-CB 3.47Å; S901-A903 PolarHBondContact OG-N 2.9Å
904Q82.9Confident78Confident103 Ų10363.9 Ų63.948%0.48136%0.364SS..EExtended strand (participates in β ladder)trans-79.5126.7174.9-60.7-171.8-46.600110.4T891 H892 T893 V906 P923T891-Q904 PolarHBondContact O-N 3.16Å; H892-Q904 CarbonylContact C-O 3.55Å; H892-Q904 WeakPolarHBondContact CA-O 3.43Å; T893-Q904 PolarHBondContact N-O 2.93Å; Q904-V906 PolarHBondContact O-N 3.34Å; Q904-P923 HydrophobicContact CB-CG 3.87Å
905R84.3Confident78.3Confident130 Ų13064.2 Ų64.249%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-66.6134.9175.7-165.8-177.7-166.2141.115.5110T893 D896T893-R905 CarbonylContact O-C 3.56Å; T893-R905 WeakPolarHBondContact O-CA 3.11Å; D896-R905 IonicContact OD1-CZ 2.59Å; D896-R905 IonicContact OD1-NH1 3.3Å; D896-R905 PolarHBondContact OD1-NH1 2.91Å; D896-R905 IonicContact OD1-NH2 2.65Å; D896-R905 PolarHBondContact OD1-NH2 3.24Å; D896-R905 IonicContact OD2-NH2 3.17Å; D896-R905 PolarHBondContact OD2-NH2 3.16Å
906V87.6Confident78.9Confident9 Ų971 Ų716%0.05539%0.387CS..  trans-134.8157.5175.6-74.90000111.1L858 H892 T893 L894 Q904 W910 P923L858-V906 HydrophobicContact CD1-CG2 3.82Å; H892-V906 HydrophobicContact CB-CG2 4.11Å; T893-V906 WeakPolarHBondContact O-CG2 3.38Å; T893-V906 PolarHBondContact O-N 2.7Å; L894-V906 HydrophobicContact CD1-CG2 3.87Å; L894-V906 HydrophobicContact CG-CG2 4.21Å; Q904-V906 PolarHBondContact O-N 3.34Å; V906-W910 HydrophobicContact CB-CB 4.17Å; V906-W910 HydrophobicContact CB-CD2 3.98Å; V906-W910 HydrophobicContact CB-CE3 4.03Å; V906-W910 HydrophobicContact CB-CG 4.06Å; V906-W910 HydrophobicContact CG1-CB 4.42Å; V906-W910 HydrophobicContact CG1-CD2 3.56Å; V906-W910 HydrophobicContact CG1-CE3 3.91Å; V906-W910 HydrophobicContact CG1-CG 3.81Å; V906-W910 HydrophobicContact CG1-CH2 4.49Å; V906-W910 HydrophobicContact CG1-CZ2 4.19Å; V906-W910 HydrophobicContact CG1-CZ3 4.37Å; V906-W910 HydrophobicContact CG2-CE3 4.24Å; V906-P923 HydrophobicContact CG1-CB 3.9Å; V906-P923 HydrophobicContact CG1-CG 4Å
907S87.3Confident79.5Confident41 Ų4170.8 Ų70.829%0.28738%0.381SS..  trans-94.7162.3175.964.80000112.1S909 W910S907-S909 PolarHBondContact O-N 2.63Å; S907-S909 PolarHBondContact OG-N 3.21Å; S907-S909 PolarHBondContact OG-OG 3.13Å; S907-W910 WeakPolarHBondContact O-CB 3.36Å; S907-W910 PolarHBondContact O-N 3.23Å; S907-W910 VanDerWaalsContact O-N 3.1Å; S907-W910 PolarHBondContact OG-N 3.07Å
908P85.9Confident80.7Confident58 Ų5876.9 Ų76.938%0.37740%0.395SS..Hα-helixtrans-53.6-33.2164.5-27.135000113.4V864 L870 L894V864-P908 HydrophobicContact CG1-CG 4.18Å; L870-P908 HydrophobicContact CD1-CB 3.99Å; L870-P908 HydrophobicContact CD1-CG 4.36Å; L870-P908 HydrophobicContact CD2-CB 4.37Å; L894-P908 HydrophobicContact CD2-CB 4.4Å; L894-P908 HydrophobicContact CD2-CG 3.91Å
909S84.8Confident82Confident76 Ų7679.2 Ų79.253%0.53140%0.399SS..Hα-helixtrans-70.2-27.4178.5520000113.6S907 I911 W912 E913S907-S909 PolarHBondContact O-N 2.63Å; S907-S909 PolarHBondContact OG-N 3.21Å; S907-S909 PolarHBondContact OG-OG 3.13Å; S909-I911 PolarHBondContact O-N 3.33Å; S909-W912 PolarHBondContact O-N 2.99Å; S909-E913 WeakPolarHBondContact O-CB 3.49Å; S909-E913 PolarHBondContact O-N 2.87Å
910W90.8Very high83.7Confident5 Ų577.4 Ų77.42%0.01937%0.369CS..Hα-helixtrans-64-38.2176.9178.392.8000112.4F853 V856 H892 V906 S907 W912 E913 C914 V920 V921 P922F853-W910 HydrophobicContact CD1-CH2 4.45Å; F853-W910 HydrophobicContact CD1-CZ3 4.39Å; F853-W910 HydrophobicContact CE1-CH2 4.23Å; F853-W910 AromaticContact CE1-CZ3 3.89Å; F853-W910 HydrophobicContact CE1-CZ3 3.89Å; V856-W910 HydrophobicContact CG1-CH2 4.3Å; H892-W910 AromaticContact CD2-CH2 3.86Å; H892-W910 AromaticContact CD2-CZ2 3.88Å; H892-W910 AromaticContact NE2-CH2 3.97Å; H892-W910 AromaticContact NE2-CZ2 3.79Å; V906-W910 HydrophobicContact CB-CB 4.17Å; V906-W910 HydrophobicContact CB-CD2 3.98Å; V906-W910 HydrophobicContact CB-CE3 4.03Å; V906-W910 HydrophobicContact CB-CG 4.06Å; V906-W910 HydrophobicContact CG1-CB 4.42Å; V906-W910 HydrophobicContact CG1-CD2 3.56Å; V906-W910 HydrophobicContact CG1-CE3 3.91Å; V906-W910 HydrophobicContact CG1-CG 3.81Å; V906-W910 HydrophobicContact CG1-CH2 4.49Å; V906-W910 HydrophobicContact CG1-CZ2 4.19Å; V906-W910 HydrophobicContact CG1-CZ3 4.37Å; V906-W910 HydrophobicContact CG2-CE3 4.24Å; S907-W910 WeakPolarHBondContact O-CB 3.36Å; S907-W910 PolarHBondContact O-N 3.23Å; S907-W910 VanDerWaalsContact O-N 3.1Å; S907-W910 PolarHBondContact OG-N 3.07Å; W910-W912 VanDerWaalsContact C-N 3.34Å; W910-W912 PolarHBondContact O-N 2.98Å; W910-E913 WeakPolarHBondContact O-CB 3.27Å; W910-E913 PolarHBondContact O-N 3.18Å; W910-C914 PolarHBondContact O-N 2.83Å; W910-C914 PolarHBondContact O-SG 2.91Å; W910-V920 HydrophobicContact CH2-CG1 4.06Å; W910-V920 HydrophobicContact CZ2-CG1 3.63Å; W910-V921 PolarHBondContact NE1-O 3.06Å; W910-P922 PolarHBondContact NE1-O 2.96Å
911I87.5Confident85Confident0 Ų074.3 Ų74.30%033%0.334CS..Hα-helixtrans-60.9-45.8175.8-61.5174.9000110.1F853 L858 L870 F874 L894 S909 C914 I915F853-I911 HydrophobicContact CE2-CG2 4.24Å; F853-I911 HydrophobicContact CZ-CB 4.47Å; F853-I911 HydrophobicContact CZ-CG2 3.88Å; L858-I911 HydrophobicContact CD2-CD1 3.9Å; L870-I911 HydrophobicContact CB-CD1 4.33Å; L870-I911 HydrophobicContact CD2-CD1 4.29Å; F874-I911 HydrophobicContact CD2-CG2 4.48Å; L894-I911 HydrophobicContact CD1-CD1 4.32Å; L894-I911 HydrophobicContact CD2-CD1 4.38Å; S909-I911 PolarHBondContact O-N 3.33Å; I911-C914 PolarHBondContact O-N 2.56Å; I911-I915 HydrophobicContact CG2-CD1 4.08Å; I911-I915 WeakPolarHBondContact O-CG1 3.43Å; I911-I915 PolarHBondContact O-N 3.08Å; I911-I915 VanDerWaalsContact O-N 3.08Å
912W91.6Very high85.8Confident72 Ų7277.8 Ų77.827%0.27336%0.356SS..Hα-helixtrans-69.7-30.5177-57.5114.9000113.1R869 L870 Y873 S909 W910 I915 R916R869-W912 HydrophobicContact CG-CH2 4.13Å; R869-W912 HydrophobicContact CG-CZ2 4.07Å; L870-W912 HydrophobicContact CD2-CZ2 3.96Å; Y873-W912 AromaticContact CD1-CH2 3.89Å; Y873-W912 HydrophobicContact CD1-CH2 3.89Å; Y873-W912 AromaticContact CD1-CZ3 3.58Å; Y873-W912 HydrophobicContact CD1-CZ3 3.58Å; Y873-W912 AromaticContact CD2-CH2 3.74Å; Y873-W912 HydrophobicContact CD2-CH2 3.74Å; Y873-W912 HydrophobicContact CD2-CZ3 4.3Å; Y873-W912 HydrophobicContact CE1-CH2 4.32Å; Y873-W912 HydrophobicContact CE1-CZ3 4.01Å; Y873-W912 HydrophobicContact CE2-CH2 4.18Å; Y873-W912 AromaticContact CG-CH2 3.57Å; Y873-W912 HydrophobicContact CG-CH2 3.57Å; Y873-W912 AromaticContact CG-CZ3 3.73Å; Y873-W912 HydrophobicContact CG-CZ3 3.73Å; S909-W912 PolarHBondContact O-N 2.99Å; W910-W912 VanDerWaalsContact C-N 3.34Å; W910-W912 PolarHBondContact O-N 2.98Å; W912-I915 HydrophobicContact CE3-CD1 4.06Å; W912-I915 HydrophobicContact CZ3-CD1 4.17Å; W912-R916 WeakPolarHBondContact O-CB 3.46Å; W912-R916 PolarHBondContact O-N 3.29Å
913E88Confident86.1Confident47 Ų4768.1 Ų68.122%0.2233%0.325CS..Hα-helixtrans-62.6-48.3172-171.874.1-134.900111.3S909 W910 R916 K917 V921S909-E913 WeakPolarHBondContact O-CB 3.49Å; S909-E913 PolarHBondContact O-N 2.87Å; W910-E913 WeakPolarHBondContact O-CB 3.27Å; W910-E913 PolarHBondContact O-N 3.18Å; E913-R916 PolarHBondContact O-N 3.38Å; E913-R916 IonicContact OE1-CZ 2.69Å; E913-R916 IonicContact OE1-NH1 3.34Å; E913-R916 PolarHBondContact OE1-NH1 2.81Å; E913-R916 IonicContact OE1-NH2 3.79Å; E913-R916 IonicContact OE2-CZ 2.73Å; E913-R916 VanDerWaalsContact OE2-CZ 3.3Å; E913-R916 IonicContact OE2-NH1 3.83Å; E913-R916 PolarHBondContact OE2-NH1 2.67Å; E913-R916 IonicContact OE2-NH2 2.66Å; E913-R916 PolarHBondContact OE2-NH2 3.06Å; E913-K917 HydrophobicContact CG-CD 4.35Å; E913-K917 WeakPolarHBondContact O-CB 3.01Å; E913-K917 PolarHBondContact O-N 3.49Å; E913-K917 WeakPolarHBondContact OE1-CD 3.22Å; E913-K917 WeakPolarHBondContact OE1-CE 3.36Å; E913-K917 IonicContact OE1-NZ 2.85Å; E913-K917 PolarHBondContact OE1-NZ 2.95Å; E913-V921 HydrophobicContact CB-CG2 4.32Å; E913-V921 HydrophobicContact CG-CG1 4.46Å; E913-V921 HydrophobicContact CG-CG2 3.75Å
914C89.8Confident85.2Confident0 Ų075.9 Ų75.90%038%0.376CS..Hα-helixtrans-62.2-46.4177.1-68.70000112.3I852 F853 W910 I911 K917 R918 R919 V921I852-C914 HydrophobicContact CG2-CB 4.25Å; F853-C914 HydrophobicContact CD1-CB 4.49Å; F853-C914 HydrophobicContact CE1-CB 3.41Å; F853-C914 VanDerWaalsContact CE1-CB 3.41Å; F853-C914 HydrophobicContact CZ-CB 3.56Å; W910-C914 PolarHBondContact O-N 2.83Å; W910-C914 PolarHBondContact O-SG 2.91Å; I911-C914 PolarHBondContact O-N 2.56Å; C914-K917 CarbonylContact O-C 3.48Å; C914-K917 PolarHBondContact O-N 3.03Å; C914-R918 WeakPolarHBondContact O-CA 3.4Å; C914-R918 PolarHBondContact O-N 2.57Å; C914-R919 VanDerWaalsContact CA-O 3.25Å; C914-R919 WeakPolarHBondContact CA-O 3.09Å; C914-R919 PolarHBondContact O-N 3.39Å; C914-R919 VanDerWaalsContact O-N 3.17Å; C914-V921 PolarHBondContact SG-N 2.87Å
915I90.4Very high85.3Confident25 Ų2574.5 Ų74.513%0.12837%0.37CS..Hα-helixtrans-61.3-46.8176.2-66.8167.8000110.6F853 Y873 Y877 I911 W912 K917 R918F853-I915 HydrophobicContact CE2-CD1 4.16Å; F853-I915 HydrophobicContact CE2-CG1 3.78Å; F853-I915 HydrophobicContact CZ-CG1 4.04Å; Y873-I915 HydrophobicContact CD1-CD1 4.39Å; Y877-I915 HydrophobicContact CD2-CD1 4.14Å; Y877-I915 HydrophobicContact CD2-CG1 4.25Å; Y877-I915 HydrophobicContact CE2-CD1 4.33Å; Y877-I915 HydrophobicContact CE2-CG1 4.48Å; Y877-I915 HydrophobicContact CE2-CG2 4.2Å; Y877-I915 HydrophobicContact CG-CG1 4.48Å; I911-I915 HydrophobicContact CG2-CD1 4.08Å; I911-I915 WeakPolarHBondContact O-CG1 3.43Å; I911-I915 PolarHBondContact O-N 3.08Å; I911-I915 VanDerWaalsContact O-N 3.08Å; W912-I915 HydrophobicContact CE3-CD1 4.06Å; W912-I915 HydrophobicContact CZ3-CD1 4.17Å; I915-K917 PolarHBondContact O-N 2.93Å; I915-R918 PolarHBondContact O-N 3.47Å
916R89.1Confident85.3Confident154 Ų15471.6 Ų71.658%0.58136%0.364SS*.Hα-helixtrans-62.6-37.8178.7169.6163.638.976.7-2.3113.1W912 E913W912-R916 WeakPolarHBondContact O-CB 3.46Å; W912-R916 PolarHBondContact O-N 3.29Å; E913-R916 PolarHBondContact O-N 3.38Å; E913-R916 IonicContact OE1-CZ 2.69Å; E913-R916 IonicContact OE1-NH1 3.34Å; E913-R916 PolarHBondContact OE1-NH1 2.81Å; E913-R916 IonicContact OE1-NH2 3.79Å; E913-R916 IonicContact OE2-CZ 2.73Å; E913-R916 VanDerWaalsContact OE2-CZ 3.3Å; E913-R916 IonicContact OE2-NH1 3.83Å; E913-R916 PolarHBondContact OE2-NH1 2.67Å; E913-R916 IonicContact OE2-NH2 2.66Å; E913-R916 PolarHBondContact OE2-NH2 3.06Å
917K85.4Confident85.2Confident114 Ų11475.1 Ų75.150%0.49638%0.381SS..Hα-helixtrans-88.8-1.1177.2-76.7171.8167.6162.30114E913 C914 I915 R919 V921E913-K917 HydrophobicContact CG-CD 4.35Å; E913-K917 WeakPolarHBondContact O-CB 3.01Å; E913-K917 PolarHBondContact O-N 3.49Å; E913-K917 WeakPolarHBondContact OE1-CD 3.22Å; E913-K917 WeakPolarHBondContact OE1-CE 3.36Å; E913-K917 IonicContact OE1-NZ 2.85Å; E913-K917 PolarHBondContact OE1-NZ 2.95Å; C914-K917 CarbonylContact O-C 3.48Å; C914-K917 PolarHBondContact O-N 3.03Å; I915-K917 PolarHBondContact O-N 2.93Å; K917-R919 HydrophobicContact CB-CG 4.48Å; K917-R919 PolarHBondContact O-N 3.02Å; K917-V921 HydrophobicContact CB-CG1 4.3Å; K917-V921 HydrophobicContact CD-CG1 3.74Å
918R88.4Confident85.1Confident192 Ų19277.1 Ų77.173%0.72539%0.387SS*.THydrogen-bonded Turntrans5529.2-179.1-57.7-175.6-179.6-173.90.3114.8L850 C914 I915L850-R918 HydrophobicContact CD1-CB 4.42Å; L850-R918 HydrophobicContact CD1-CG 4.29Å; C914-R918 WeakPolarHBondContact O-CA 3.4Å; C914-R918 PolarHBondContact O-N 2.57Å; I915-R918 PolarHBondContact O-N 3.47Å
919R87.6Confident85Confident172 Ų17278.3 Ų78.365%0.64939%0.388SS*.SBendtrans-162.6155.1177.366.1-176.4-171.5-172.82.8110.1C914 K917 V921C914-R919 VanDerWaalsContact CA-O 3.25Å; C914-R919 WeakPolarHBondContact CA-O 3.09Å; C914-R919 PolarHBondContact O-N 3.39Å; C914-R919 VanDerWaalsContact O-N 3.17Å; K917-R919 HydrophobicContact CB-CG 4.48Å; K917-R919 PolarHBondContact O-N 3.02Å; R919-V921 PolarHBondContact O-N 3.25Å
920V87.1Confident85.1Confident58 Ų5878.4 Ų78.435%0.35238%0.378SS..  trans-56.1135.4165.8-168.10000109.6I852 V856 W910I852-V920 WeakPolarHBondContact O-CG2 3.33Å; V856-V920 HydrophobicContact CG2-CG2 3.95Å; W910-V920 HydrophobicContact CH2-CG1 4.06Å; W910-V920 HydrophobicContact CZ2-CG1 3.63Å
921V87.6Confident84.7Confident15 Ų1583.6 Ų83.69%0.09140%0.404CS..  trans-111.4157.8170.8-58.90000109.6W910 E913 C914 K917 R919W910-V921 PolarHBondContact NE1-O 3.06Å; E913-V921 HydrophobicContact CB-CG2 4.32Å; E913-V921 HydrophobicContact CG-CG1 4.46Å; E913-V921 HydrophobicContact CG-CG2 3.75Å; C914-V921 PolarHBondContact SG-N 2.87Å; K917-V921 HydrophobicContact CB-CG1 4.3Å; K917-V921 HydrophobicContact CD-CG1 3.74Å; R919-V921 PolarHBondContact O-N 3.25Å
922P81.1Confident84.4Confident106 Ų10690.1 Ų90.169%0.68844%0.435SS*.  trans-53.2143.6172.1-25.435.3000111.4W910W910-P922 PolarHBondContact NE1-O 2.96Å
923P74.6Confident83.8Confident41 Ų4191.6 Ų91.627%0.26645%0.448SS..  trans-56.1155.1164.8-24.835.8000111.9Q904 V906Q904-P923 HydrophobicContact CB-CG 3.87Å; V906-P923 HydrophobicContact CG1-CB 3.9Å; V906-P923 HydrophobicContact CG1-CG 4Å
924C57.2Low83.5Confident175 Ų17595.6 Ų95.6100%1.18247%0.469SS*.  trans-112.80-179.8-57.40000110.2

Retrieved 924 of 924 residues in 2315.4 ms (Link to these results)

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