A0A3Q0KC80_SCHMA Loading...

Putative chaperone binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KC80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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
1M31.4Very low71.5Confident236 Ų236107.3 Ų107.3100%1.16358%0.576SS**  0105.40-71.8-169.1-120.100107.3A3M1-A3 PolarHBondContact O-N 2.81Å
2S40.9Very low73.5Confident121 Ų121102.9 Ų102.985%0.84655%0.55SS*.  trans-70.199-179.2-175.60000109.2
3A42.5Very low75Confident78 Ų7898.7 Ų98.765%0.64553%0.533SS*.  trans-109.519.1-168.800000113.9M1M1-A3 PolarHBondContact O-N 2.81Å
4F53.8Low76.3Confident150 Ų150102.4 Ų102.466%0.65855%0.545SS*.  trans-136.8101.9167.4-61.3-77.5000106.8D6F4-D6 VanDerWaalsContact C-N 3.26Å; F4-D6 PolarHBondContact O-N 3.12Å
5G69.4Low77.6Confident83 Ų8399 Ų9986%0.85653%0.527SS*.  trans-67.392171.700000108.2R7G5-R7 PolarHBondContact O-N 3.31Å
6D81.4Confident78.7Confident28 Ų2894.2 Ų94.215%0.1550%0.502CS..  trans-58.1123.8172.1-69-24.8000107.6F4 F8 R23F4-D6 VanDerWaalsContact C-N 3.26Å; F4-D6 PolarHBondContact O-N 3.12Å; D6-F8 HydrophobicContact CB-CE2 3.82Å; D6-F8 HydrophobicContact CB-CZ 3.98Å; D6-F8 VanDerWaalsContact O-CD2 3.31Å; D6-F8 WeakPolarHBondContact O-CD2 3.47Å; D6-F8 WeakPolarHBondContact O-CE2 3.39Å; D6-R23 WeakPolarHBondContact OD1-CB 3.15Å; D6-R23 WeakPolarHBondContact OD1-CD 3.38Å; D6-R23 VanDerWaalsContact OD1-CG 3.27Å; D6-R23 WeakPolarHBondContact OD1-CG 3.26Å; D6-R23 IonicContact OD1-CZ 2.76Å; D6-R23 IonicContact OD1-NE 3.43Å; D6-R23 IonicContact OD1-NH1 3.3Å; D6-R23 PolarHBondContact OD1-NH1 2.64Å; D6-R23 IonicContact OD2-CZ 3.17Å; D6-R23 IonicContact OD2-NH1 2.92Å; D6-R23 PolarHBondContact OD2-NH1 3.18Å
7R89.6Confident79.8Confident149 Ų14988.6 Ų88.656%0.56247%0.472SS*.EExtended strand (participates in β ladder)trans-81.7127.3177.3-178.2-174.473.1179.25.5107.4G5 F22G5-R7 PolarHBondContact O-N 3.31Å; R7-F22 HydrophobicContact CB-CB 4.21Å; R7-F22 HydrophobicContact CB-CD2 4.36Å; R7-F22 HydrophobicContact CG-CD2 4.36Å; R7-F22 PolarHBondContact N-O 2.75Å; R7-F22 VanDerWaalsContact NE-CD2 3.32Å; R7-F22 VanDerWaalsContact NH2-CE1 3.31Å; R7-F22 VanDerWaalsContact NH2-CE2 3.34Å; R7-F22 VanDerWaalsContact NH2-CZ 3.28Å; R7-F22 WeakPolarHBondContact O-CD2 3.46Å; R7-F22 PolarHBondContact O-N 2.92Å
8F91.4Very high80.8Confident67 Ų6786.6 Ų86.629%0.29446%0.457SS..EExtended strand (participates in β ladder)trans-105.4139.9172.1-63.6-84.8000109.7D6 D20 C21 L42 K54 F56D6-F8 HydrophobicContact CB-CE2 3.82Å; D6-F8 HydrophobicContact CB-CZ 3.98Å; D6-F8 VanDerWaalsContact O-CD2 3.31Å; D6-F8 WeakPolarHBondContact O-CD2 3.47Å; D6-F8 WeakPolarHBondContact O-CE2 3.39Å; F8-D20 CarbonylContact C-O 3.54Å; F8-D20 WeakPolarHBondContact CA-O 3.5Å; F8-C21 HydrophobicContact CD1-CB 3.8Å; F8-C21 HydrophobicContact CE1-CB 3.55Å; F8-C21 WeakPolarHBondContact CE1-SG 3.37Å; F8-C21 HydrophobicContact CZ-CB 4.47Å; F8-L42 HydrophobicContact CE1-CD2 4.25Å; F8-K54 HydrophobicContact CE1-CB 3.92Å; F8-K54 HydrophobicContact CE1-CG 4.02Å; F8-K54 HydrophobicContact CE2-CB 4.1Å; F8-K54 HydrophobicContact CE2-CD 4.43Å; F8-K54 HydrophobicContact CE2-CG 4.06Å; F8-K54 HydrophobicContact CZ-CB 3.45Å; F8-K54 VanDerWaalsContact CZ-CB 3.45Å; F8-K54 HydrophobicContact CZ-CG 3.75Å; F8-F56 HydrophobicContact CD1-CE2 4.38Å; F8-F56 AromaticContact CD1-CZ 3.58Å; F8-F56 HydrophobicContact CD1-CZ 3.58Å; F8-F56 HydrophobicContact CE1-CE2 4.34Å; F8-F56 AromaticContact CE1-CZ 3.89Å; F8-F56 HydrophobicContact CE1-CZ 3.89Å; F8-F56 HydrophobicContact CG-CZ 4.11Å
9D94.3Very high81.6Confident87 Ų8782.1 Ų82.147%0.46543%0.433SS..EExtended strand (participates in β ladder)trans-134.7156.8171.2-1615000108.7D20 F22D9-D20 HydrophobicContact CB-CB 4.45Å; D9-D20 PolarHBondContact N-O 2.84Å; D9-D20 PolarHBondContact O-N 3.37Å; D9-F22 HydrophobicContact CB-CE2 3.81Å
10W95.8Very high82.3Confident76 Ų7678.4 Ų78.429%0.28841%0.414SS..EExtended strand (participates in β ladder)trans-150.6150.3177.376.4-76.4000110.9Q12 V17 W18 W88 L91W10-Q12 HydrophobicContact CZ3-CB 4.41Å; W10-Q12 HydrophobicContact CZ3-CG 4.44Å; W10-V17 HydrophobicContact CE3-CG1 4.05Å; W10-W18 WeakPolarHBondContact CA-O 3.47Å; W10-W18 VanDerWaalsContact CB-O 3.25Å; W10-W18 WeakPolarHBondContact CB-O 3.21Å; W10-W88 HydrophobicContact CH2-CB 4.13Å; W10-W88 HydrophobicContact CZ3-CB 4.09Å; W10-L91 HydrophobicContact CB-CD1 4.47Å; W10-L91 HydrophobicContact CB-CD2 4.12Å; W10-L91 HydrophobicContact CD2-CB 3.87Å; W10-L91 HydrophobicContact CD2-CD1 4.31Å; W10-L91 HydrophobicContact CE3-CB 4.35Å; W10-L91 HydrophobicContact CE3-CD1 4.2Å; W10-L91 HydrophobicContact CG-CB 4.03Å; W10-L91 HydrophobicContact CG-CD1 4.42Å; W10-L91 HydrophobicContact CG-CD2 4.14Å; W10-L91 HydrophobicContact CG-CG 4.44Å; W10-L91 HydrophobicContact CZ2-CB 4.48Å
11Y96.2Very high82.8Confident105 Ų10574.7 Ų74.741%0.41239%0.394SS..EExtended strand (participates in β ladder)trans-150.4170.1175.960.2-83.6000109W18Y11-W18 HydrophobicContact CD1-CB 3.97Å; Y11-W18 HydrophobicContact CD2-CB 4.16Å; Y11-W18 HydrophobicContact CD2-CD2 4.1Å; Y11-W18 AromaticContact CD2-CE3 3.66Å; Y11-W18 HydrophobicContact CD2-CE3 3.66Å; Y11-W18 HydrophobicContact CD2-CG 4.35Å; Y11-W18 HydrophobicContact CD2-CZ3 4.33Å; Y11-W18 HydrophobicContact CE1-CB 3.5Å; Y11-W18 HydrophobicContact CE1-CG 4.15Å; Y11-W18 HydrophobicContact CE2-CB 3.72Å; Y11-W18 AromaticContact CE2-CD2 3.46Å; Y11-W18 HydrophobicContact CE2-CD2 3.46Å; Y11-W18 VanDerWaalsContact CE2-CD2 3.46Å; Y11-W18 AromaticContact CE2-CE3 3.46Å; Y11-W18 HydrophobicContact CE2-CE3 3.46Å; Y11-W18 VanDerWaalsContact CE2-CE3 3.46Å; Y11-W18 AromaticContact CE2-CG 3.6Å; Y11-W18 HydrophobicContact CE2-CG 3.6Å; Y11-W18 HydrophobicContact CE2-CZ3 4.17Å; Y11-W18 HydrophobicContact CG-CB 4.27Å; Y11-W18 AromaticContact CZ-CD2 3.88Å; Y11-W18 AromaticContact CZ-CG 3.47Å; Y11-W18 VanDerWaalsContact CZ-CG 3.47Å; Y11-W18 PolarHBondContact N-O 2.71Å; Y11-W18 VanDerWaalsContact N-O 3.11Å; Y11-W18 PolarHBondContact O-N 3.04Å
12Q95Very high85.8Confident55 Ų5566.1 Ų66.126%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-145.4159.5-175.969-175-59.200111.8W10 N16 V17 W88W10-Q12 HydrophobicContact CZ3-CB 4.41Å; W10-Q12 HydrophobicContact CZ3-CG 4.44Å; Q12-N16 WeakPolarHBondContact CA-O 3.46Å; Q12-N16 WeakPolarHBondContact CB-O 3.11Å; Q12-V17 HydrophobicContact CB-CG2 4.1Å; Q12-W88 PolarHBondContact NE2-O 2.75Å
13S93.8Very high87.9Confident48 Ų4863.2 Ų63.234%0.33632%0.321SS..  trans-118.9-172.7163.669.90000108.5D15 N16 W18 K82S13-D15 VanDerWaalsContact C-N 3.25Å; S13-D15 PolarHBondContact O-N 3.03Å; S13-N16 PolarHBondContact N-O 2.97Å; S13-N16 PolarHBondContact OG-N 2.93Å; S13-W18 WeakPolarHBondContact OG-CH2 3.41Å; S13-W18 WeakPolarHBondContact OG-CZ3 3.29Å; S13-K82 WeakPolarHBondContact O-CE 3.29Å; S13-K82 PolarHBondContact O-NZ 3.4Å
14E92.9Very high89.9Confident150 Ų15068.3 Ų68.370%0.70133%0.329SS*.SBendtrans-58.4-39.2176.2-63.2-177.6-179.500112.3K82E14-K82 WeakPolarHBondContact O-CD 3.33Å
15D95.2Very high91.3Very high52 Ų5270.8 Ų70.828%0.27834%0.339SS..SBendtrans-107.2-17.4-170.8-68.6-38.4000114.4S13 K82 K85S13-D15 VanDerWaalsContact C-N 3.25Å; S13-D15 PolarHBondContact O-N 3.03Å; D15-K82 WeakPolarHBondContact O-CB 3.14Å; D15-K82 PolarHBondContact O-N 2.91Å; D15-K85 VanDerWaalsContact OD1-CE 3.23Å; D15-K85 WeakPolarHBondContact OD1-CE 3.21Å; D15-K85 IonicContact OD1-NZ 2.64Å; D15-K85 PolarHBondContact OD1-NZ 2.92Å
16N96.3Very high91.9Very high22 Ų2267.5 Ų67.512%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-137.4156.2-171.3-57.7-94.9000112.1Q12 S13 W18 K79 L80Q12-N16 WeakPolarHBondContact CA-O 3.46Å; Q12-N16 WeakPolarHBondContact CB-O 3.11Å; S13-N16 PolarHBondContact N-O 2.97Å; S13-N16 PolarHBondContact OG-N 2.93Å; N16-W18 HydrophobicContact CB-CE3 4.22Å; N16-W18 HydrophobicContact CB-CH2 3.53Å; N16-W18 HydrophobicContact CB-CZ2 3.89Å; N16-W18 HydrophobicContact CB-CZ3 3.7Å; N16-K79 WeakPolarHBondContact OD1-CE 2.85Å; N16-L80 CarbonylContact C-O 3.58Å; N16-L80 VanDerWaalsContact CA-O 3.25Å; N16-L80 WeakPolarHBondContact CA-O 3.18Å
17V97Very high92.2Very high0 Ų069.5 Ų69.50%032%0.315CS..EExtended strand (participates in β ladder)trans-123.3138.3170-178.50000108W10 Q12 L80 K82 W88 L91W10-V17 HydrophobicContact CE3-CG1 4.05Å; Q12-V17 HydrophobicContact CB-CG2 4.1Å; V17-L80 HydrophobicContact CB-CB 4.37Å; V17-L80 PolarHBondContact N-O 3.37Å; V17-L80 PolarHBondContact O-N 3.39Å; V17-K82 HydrophobicContact CG2-CD 4.18Å; V17-K82 HydrophobicContact CG2-CG 3.87Å; V17-W88 HydrophobicContact CG2-CD2 3.98Å; V17-W88 HydrophobicContact CG2-CE3 4.36Å; V17-W88 HydrophobicContact CG2-CG 4.39Å; V17-W88 HydrophobicContact CG2-CH2 4.48Å; V17-W88 HydrophobicContact CG2-CZ2 4.13Å; V17-L91 HydrophobicContact CG1-CD1 3.86Å
18W97.7Very high92Very high52 Ų5266.2 Ų66.220%0.19731%0.313CS..EExtended strand (participates in β ladder)trans-115.4136.4175.6-68.7-99.4000110W10 Y11 S13 N16 I78W10-W18 WeakPolarHBondContact CA-O 3.47Å; W10-W18 VanDerWaalsContact CB-O 3.25Å; W10-W18 WeakPolarHBondContact CB-O 3.21Å; Y11-W18 HydrophobicContact CD1-CB 3.97Å; Y11-W18 HydrophobicContact CD2-CB 4.16Å; Y11-W18 HydrophobicContact CD2-CD2 4.1Å; Y11-W18 AromaticContact CD2-CE3 3.66Å; Y11-W18 HydrophobicContact CD2-CE3 3.66Å; Y11-W18 HydrophobicContact CD2-CG 4.35Å; Y11-W18 HydrophobicContact CD2-CZ3 4.33Å; Y11-W18 HydrophobicContact CE1-CB 3.5Å; Y11-W18 HydrophobicContact CE1-CG 4.15Å; Y11-W18 HydrophobicContact CE2-CB 3.72Å; Y11-W18 AromaticContact CE2-CD2 3.46Å; Y11-W18 HydrophobicContact CE2-CD2 3.46Å; Y11-W18 VanDerWaalsContact CE2-CD2 3.46Å; Y11-W18 AromaticContact CE2-CE3 3.46Å; Y11-W18 HydrophobicContact CE2-CE3 3.46Å; Y11-W18 VanDerWaalsContact CE2-CE3 3.46Å; Y11-W18 AromaticContact CE2-CG 3.6Å; Y11-W18 HydrophobicContact CE2-CG 3.6Å; Y11-W18 HydrophobicContact CE2-CZ3 4.17Å; Y11-W18 HydrophobicContact CG-CB 4.27Å; Y11-W18 AromaticContact CZ-CD2 3.88Å; Y11-W18 AromaticContact CZ-CG 3.47Å; Y11-W18 VanDerWaalsContact CZ-CG 3.47Å; Y11-W18 PolarHBondContact N-O 2.71Å; Y11-W18 VanDerWaalsContact N-O 3.11Å; Y11-W18 PolarHBondContact O-N 3.04Å; S13-W18 WeakPolarHBondContact OG-CH2 3.41Å; S13-W18 WeakPolarHBondContact OG-CZ3 3.29Å; N16-W18 HydrophobicContact CB-CE3 4.22Å; N16-W18 HydrophobicContact CB-CH2 3.53Å; N16-W18 HydrophobicContact CB-CZ2 3.89Å; N16-W18 HydrophobicContact CB-CZ3 3.7Å; W18-I78 CarbonylContact C-O 3.6Å; W18-I78 VanDerWaalsContact CA-O 3.29Å; W18-I78 WeakPolarHBondContact CA-O 3.25Å
19I96.5Very high91.8Very high1 Ų168.8 Ų68.81%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-120116.4172.3-52.7171.1000107.4F56 I78 L80 L91I19-F56 HydrophobicContact CD1-CD2 4.28Å; I19-F56 HydrophobicContact CD1-CG 4.44Å; I19-F56 HydrophobicContact CG2-CE1 4.42Å; I19-F56 HydrophobicContact CG2-CE2 3.96Å; I19-F56 HydrophobicContact CG2-CZ 3.81Å; I19-I78 HydrophobicContact CB-CB 4.26Å; I19-I78 PolarHBondContact N-O 2.62Å; I19-I78 PolarHBondContact O-N 3.17Å; I19-L80 HydrophobicContact CD1-CD1 3.76Å; I19-L80 HydrophobicContact CG1-CD1 4.37Å; I19-L91 HydrophobicContact CD1-CD1 3.96Å; I19-L91 HydrophobicContact CD1-CD2 3.94Å; I19-L91 HydrophobicContact CD1-CG 4.44Å; I19-L91 HydrophobicContact CG1-CD1 3.92Å; I19-L91 HydrophobicContact CG1-CD2 3.93Å; I19-L91 HydrophobicContact CG2-CD2 4.42Å
20D95.5Very high91.6Very high8 Ų867.6 Ų67.64%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-103.7123.7178.5-82.815000109.7F8 D9 F22 K75 I76F8-D20 CarbonylContact C-O 3.54Å; F8-D20 WeakPolarHBondContact CA-O 3.5Å; D9-D20 HydrophobicContact CB-CB 4.45Å; D9-D20 PolarHBondContact N-O 2.84Å; D9-D20 PolarHBondContact O-N 3.37Å; D20-F22 HydrophobicContact CB-CE2 3.86Å; D20-F22 HydrophobicContact CB-CZ 4.1Å; D20-K75 IonicContact OD2-NZ 3.84Å; D20-K75 PolarHBondContact OD2-NZ 2.84Å; D20-I76 CarbonylContact C-O 3.5Å; D20-I76 WeakPolarHBondContact CA-O 3.43Å
21C93.5Very high91.4Very high1 Ų164.3 Ų64.31%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-108.3112172.9175.10000109.8F8 L42 K75 I76F8-C21 HydrophobicContact CD1-CB 3.8Å; F8-C21 HydrophobicContact CE1-CB 3.55Å; F8-C21 WeakPolarHBondContact CE1-SG 3.37Å; F8-C21 HydrophobicContact CZ-CB 4.47Å; C21-L42 HydrophobicContact CB-CD2 4.06Å; C21-K75 CarbonylContact O-C 3.51Å; C21-K75 WeakPolarHBondContact O-CA 3.49Å; C21-K75 WeakPolarHBondContact O-CB 3.44Å; C21-I76 HydrophobicContact CB-CB 4.24Å; C21-I76 PolarHBondContact N-O 2.88Å; C21-I76 PolarHBondContact O-N 2.76Å
22F92.5Very high91.2Very high56 Ų5663.8 Ų63.825%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-91.3108.9179.2-60.7-89.6000110.5R7 D9 D20 K75R7-F22 HydrophobicContact CB-CB 4.21Å; R7-F22 HydrophobicContact CB-CD2 4.36Å; R7-F22 HydrophobicContact CG-CD2 4.36Å; R7-F22 PolarHBondContact N-O 2.75Å; R7-F22 VanDerWaalsContact NE-CD2 3.32Å; R7-F22 VanDerWaalsContact NH2-CE1 3.31Å; R7-F22 VanDerWaalsContact NH2-CE2 3.34Å; R7-F22 VanDerWaalsContact NH2-CZ 3.28Å; R7-F22 WeakPolarHBondContact O-CD2 3.46Å; R7-F22 PolarHBondContact O-N 2.92Å; D9-F22 HydrophobicContact CB-CE2 3.81Å; D20-F22 HydrophobicContact CB-CE2 3.86Å; D20-F22 HydrophobicContact CB-CZ 4.1Å; F22-K75 HydrophobicContact CD1-CB 4.06Å; F22-K75 HydrophobicContact CD1-CD 4.43Å; F22-K75 HydrophobicContact CE1-CB 4.39Å; F22-K75 HydrophobicContact CE1-CD 3.94Å; F22-K75 HydrophobicContact CZ-CD 4.49Å
23R86.6Confident91.2Very high59 Ų5962 Ų6222%0.22331%0.306CS..  trans-138.1141.8174.9-174.9174.8-176103.2-8.9108.9D6 I26 T74D6-R23 WeakPolarHBondContact OD1-CB 3.15Å; D6-R23 WeakPolarHBondContact OD1-CD 3.38Å; D6-R23 VanDerWaalsContact OD1-CG 3.27Å; D6-R23 WeakPolarHBondContact OD1-CG 3.26Å; D6-R23 IonicContact OD1-CZ 2.76Å; D6-R23 IonicContact OD1-NE 3.43Å; D6-R23 IonicContact OD1-NH1 3.3Å; D6-R23 PolarHBondContact OD1-NH1 2.64Å; D6-R23 IonicContact OD2-CZ 3.17Å; D6-R23 IonicContact OD2-NH1 2.92Å; D6-R23 PolarHBondContact OD2-NH1 3.18Å; R23-I26 HydrophobicContact CB-CD1 3.8Å; R23-I26 HydrophobicContact CB-CG1 3.95Å; R23-I26 HydrophobicContact CG-CG1 4.26Å; R23-I26 VanDerWaalsContact O-CD1 3.26Å; R23-I26 WeakPolarHBondContact O-CD1 3.4Å; R23-I26 VanDerWaalsContact O-CG1 3.26Å; R23-I26 WeakPolarHBondContact O-CG1 3.48Å; R23-T74 PolarHBondContact N-O 3.43Å; R23-T74 CarbonylContact O-C 3.46Å; R23-T74 VanDerWaalsContact O-C 3.25Å
24K83.5Confident91.3Very high186 Ų18662.7 Ų62.781%0.80930%0.304SS*.SBendtrans-87.9150.7178.1-66.8-178.2179.91790110.2
25K82.5Confident91.5Very high201 Ų20157.3 Ų57.387%0.87428%0.279SS*.SBendtrans61.244.5175.5-55.2-179178.1-178.10112.9A73K25-A73 PolarHBondContact N-O 2.77Å
26I83.7Confident91.6Very high15 Ų1558.8 Ų58.88%0.07729%0.285CS..  trans-78.7127.7176.5-50.1179000109R23 I31 V71 I76R23-I26 HydrophobicContact CB-CD1 3.8Å; R23-I26 HydrophobicContact CB-CG1 3.95Å; R23-I26 HydrophobicContact CG-CG1 4.26Å; R23-I26 VanDerWaalsContact O-CD1 3.26Å; R23-I26 WeakPolarHBondContact O-CD1 3.4Å; R23-I26 VanDerWaalsContact O-CG1 3.26Å; R23-I26 WeakPolarHBondContact O-CG1 3.48Å; I26-I31 HydrophobicContact CG2-CD1 3.9Å; I26-I31 HydrophobicContact CG2-CG1 3.5Å; I26-I31 VanDerWaalsContact CG2-CG1 3.5Å; I26-V71 HydrophobicContact CB-CG1 4.37Å; I26-V71 HydrophobicContact CG2-CG1 3.5Å; I26-V71 VanDerWaalsContact CG2-CG1 3.5Å; I26-I76 HydrophobicContact CD1-CD1 3.82Å; I26-I76 HydrophobicContact CD1-CG1 3.76Å; I26-I76 HydrophobicContact CG2-CD1 4.29Å; I26-I76 HydrophobicContact CG2-CG1 4.29Å
27V85.9Confident91.5Very high70 Ų7065.4 Ų65.442%0.42431%0.308SS..  trans-94120.3168.2179.60000107.3T29 D30V27-T29 PolarHBondContact O-N 2.94Å; V27-T29 VanDerWaalsContact O-N 3.15Å; V27-D30 HydrophobicContact CB-CB 4.23Å; V27-D30 WeakPolarHBondContact CB-OD2 3.48Å; V27-D30 PolarHBondContact O-N 3.5Å
28P85.3Confident91.4Very high80 Ų8069.9 Ų69.952%0.51933%0.325SS..G310 helixtrans-55.5-32.8-177.6-28.635.9000114.6D30 V71P28-D30 VanDerWaalsContact C-N 3.26Å; P28-D30 PolarHBondContact O-N 2.8Å; P28-V71 HydrophobicContact CB-CB 4.2Å; P28-V71 HydrophobicContact CB-CG1 4.24Å; P28-V71 HydrophobicContact CG-CG1 4.26Å
29T87.2Confident91.3Very high121 Ų12169.6 Ų69.674%0.74233%0.325SS*.G310 helixtrans-69.2-23.6179.4-42.90000113.3V27 I31V27-T29 PolarHBondContact O-N 2.94Å; V27-T29 VanDerWaalsContact O-N 3.15Å; T29-I31 VanDerWaalsContact C-N 3.33Å
30D90.4Very high91.3Very high61 Ų6169.5 Ų69.533%0.32633%0.325SS..G310 helixtrans-92.84.4-174.8-60-11.4000111.6V27 P28 L44 T45V27-D30 HydrophobicContact CB-CB 4.23Å; V27-D30 WeakPolarHBondContact CB-OD2 3.48Å; V27-D30 PolarHBondContact O-N 3.5Å; P28-D30 VanDerWaalsContact C-N 3.26Å; P28-D30 PolarHBondContact O-N 2.8Å; D30-L44 HydrophobicContact CB-CD1 4.07Å; D30-L44 CarbonylContact O-C 3.55Å; D30-L44 WeakPolarHBondContact O-CA 3.27Å; D30-T45 PolarHBondContact O-N 2.9Å
31I92Very high91.3Very high8 Ų869.2 Ų69.24%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-109.9125-177.6-60.9-59.5000110.5I26 T29 V33 L42 L44 L53 V71 I76I26-I31 HydrophobicContact CG2-CD1 3.9Å; I26-I31 HydrophobicContact CG2-CG1 3.5Å; I26-I31 VanDerWaalsContact CG2-CG1 3.5Å; T29-I31 VanDerWaalsContact C-N 3.33Å; I31-V33 HydrophobicContact CG2-CG2 4.2Å; I31-L42 HydrophobicContact CG2-CD1 3.79Å; I31-L44 HydrophobicContact CD1-CD1 3.76Å; I31-L53 HydrophobicContact CD1-CD1 4.45Å; I31-V71 HydrophobicContact CB-CG2 4.14Å; I31-V71 HydrophobicContact CG1-CG1 4.3Å; I31-V71 HydrophobicContact CG2-CG2 4.05Å; I31-I76 HydrophobicContact CD1-CD1 3.78Å; I31-I76 HydrophobicContact CG1-CD1 4.02Å; I31-I76 HydrophobicContact CG1-CG1 4.4Å; I31-I76 HydrophobicContact CG2-CD1 4.06Å; I31-I76 HydrophobicContact CG2-CG1 4.29Å; I31-I76 HydrophobicContact CG2-CG2 4.45Å
32R92.7Very high91.3Very high93 Ų9369.1 Ų69.135%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-119131.1170.5-172.7175.190.7-152.10.2110.1E34 Y43 D50R32-E34 IonicContact CZ-OE1 3.37Å; R32-E34 IonicContact NE-OE1 3.89Å; R32-E34 PolarHBondContact NE-OE1 2.82Å; R32-E34 IonicContact NH2-OE1 2.62Å; R32-E34 PolarHBondContact NH2-OE1 3.21Å; R32-Y43 PolarHBondContact N-O 3.01Å; R32-Y43 PolarHBondContact O-N 2.88Å; R32-D50 IonicContact CZ-OD2 2.71Å; R32-D50 VanDerWaalsContact CZ-OD2 3.3Å; R32-D50 IonicContact NH1-OD2 3.52Å; R32-D50 PolarHBondContact NH1-OD2 2.75Å; R32-D50 IonicContact NH2-OD2 2.62Å; R32-D50 PolarHBondContact NH2-OD2 2.84Å
33V95Very high91.3Very high17 Ų1768.6 Ų68.610%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-118.2126.1175.2-174.20000108.3I31 I35 V40 S41 L42 Y69 I78I31-V33 HydrophobicContact CG2-CG2 4.2Å; V33-I35 HydrophobicContact CG1-CD1 4.37Å; V33-I35 HydrophobicContact CG1-CG1 3.9Å; V33-V40 HydrophobicContact CG1-CG1 4.16Å; V33-S41 WeakPolarHBondContact CA-O 3.31Å; V33-L42 HydrophobicContact CG2-CD1 3.75Å; V33-Y69 HydrophobicContact CB-CD1 3.89Å; V33-Y69 HydrophobicContact CB-CD2 4.38Å; V33-Y69 HydrophobicContact CB-CE1 4.17Å; V33-Y69 HydrophobicContact CB-CG 4.01Å; V33-Y69 HydrophobicContact CG2-CD1 4.13Å; V33-Y69 HydrophobicContact CG2-CD2 3.72Å; V33-Y69 HydrophobicContact CG2-CE1 4.47Å; V33-Y69 HydrophobicContact CG2-CE2 4.08Å; V33-Y69 HydrophobicContact CG2-CG 3.74Å; V33-I78 HydrophobicContact CG1-CD1 3.9Å; V33-I78 HydrophobicContact CG1-CG1 4.27Å; V33-I78 HydrophobicContact CG1-CG2 4.32Å; V33-I78 HydrophobicContact CG2-CD1 4.39Å; V33-I78 HydrophobicContact CG2-CG1 4.48Å
34E96.1Very high91.5Very high64 Ų6467 Ų6730%0.29932%0.315SS..EExtended strand (participates in β ladder)trans-109121.5172.6-68.4173.1-164.600108.8R32 V40 S41 Y43R32-E34 IonicContact CZ-OE1 3.37Å; R32-E34 IonicContact NE-OE1 3.89Å; R32-E34 PolarHBondContact NE-OE1 2.82Å; R32-E34 IonicContact NH2-OE1 2.62Å; R32-E34 PolarHBondContact NH2-OE1 3.21Å; E34-V40 WeakPolarHBondContact O-CA 3.39Å; E34-S41 PolarHBondContact N-O 2.79Å; E34-S41 PolarHBondContact O-N 3.19Å; E34-Y43 HydrophobicContact CB-CE2 4.17Å; E34-Y43 VanDerWaalsContact CD-CE2 3.44Å; E34-Y43 HydrophobicContact CG-CD2 4.39Å; E34-Y43 HydrophobicContact CG-CE2 3.91Å
35I97.2Very high91.7Very high36 Ų3660.6 Ų60.619%0.18529%0.292CS..EExtended strand (participates in β ladder)trans-113.3121.1-179.2-53.9175.4000107.6V33 V40 V62 P64 I78 L80V33-I35 HydrophobicContact CG1-CD1 4.37Å; V33-I35 HydrophobicContact CG1-CG1 3.9Å; I35-V40 HydrophobicContact CG2-CG2 4.43Å; I35-V62 HydrophobicContact CG2-CG2 4.28Å; I35-P64 HydrophobicContact CB-CB 4.49Å; I35-P64 HydrophobicContact CG2-CB 4.08Å; I35-P64 HydrophobicContact CG2-CG 4.48Å; I35-I78 HydrophobicContact CD1-CG2 4.12Å; I35-L80 HydrophobicContact CD1-CD2 3.98Å; I35-L80 HydrophobicContact CG1-CD2 4.3Å; I35-L80 HydrophobicContact CG2-CD2 3.73Å
36E95.9Very high91.8Very high84 Ų8454 Ų5439%0.39327%0.265SS..EExtended strand (participates in β ladder)trans-119.5166.3171.5-59.7174.2-166.900109.1R38 K39E36-R38 PolarHBondContact O-N 3.18Å; E36-K39 HydrophobicContact CB-CB 4.07Å; E36-K39 VanDerWaalsContact CD-CE 3.4Å; E36-K39 PolarHBondContact N-O 2.84Å; E36-K39 PolarHBondContact O-N 3.33Å; E36-K39 VanDerWaalsContact OE1-CE 3.26Å; E36-K39 WeakPolarHBondContact OE1-CE 3.25Å; E36-K39 IonicContact OE1-NZ 2.85Å; E36-K39 PolarHBondContact OE1-NZ 3.5Å; E36-K39 WeakPolarHBondContact OE2-CE 3.44Å; E36-K39 IonicContact OE2-NZ 3.92Å; E36-K39 PolarHBondContact OE2-NZ 2.86Å
37R95.2Very high91.7Very high161 Ų16160.2 Ų60.261%0.60831%0.307SS*.THydrogen-bonded Turntrans-51-35.2-175-71.4-166.4-171.4150.63.4114.5E61 V62 P64R37-E61 CarbonylContact O-C 3.39Å; R37-E61 WeakPolarHBondContact O-CA 3.43Å; R37-V62 WeakPolarHBondContact O-CG2 3.4Å; R37-V62 PolarHBondContact O-N 3.17Å; R37-P64 HydrophobicContact CG-CG 4.2Å
38R95.2Very high91.6Very high94 Ų9463.4 Ų63.436%0.35533%0.326SS..THydrogen-bonded Turntrans-127.514.5-179.9-75.7-176142-96.2-9.6113.2E36 Q57 L58 L59 E61E36-R38 PolarHBondContact O-N 3.18Å; R38-Q57 PolarHBondContact O-NE2 2.82Å; R38-L58 WeakPolarHBondContact O-CB 3.35Å; R38-L58 PolarHBondContact O-N 3Å; R38-L59 PolarHBondContact NH1-O 2.99Å; R38-L59 PolarHBondContact NH2-O 3.18Å; R38-E61 HydrophobicContact CG-CB 4.47Å; R38-E61 HydrophobicContact CG-CG 3.76Å; R38-E61 IonicContact NE-OE1 3.53Å
39K95.7Very high91.5Very high45 Ų4561.4 Ų61.420%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-148.4135.4-169.8-158.6-17986.3-156.30110.8E36 K55 F56E36-K39 HydrophobicContact CB-CB 4.07Å; E36-K39 VanDerWaalsContact CD-CE 3.4Å; E36-K39 PolarHBondContact N-O 2.84Å; E36-K39 PolarHBondContact O-N 3.33Å; E36-K39 VanDerWaalsContact OE1-CE 3.26Å; E36-K39 WeakPolarHBondContact OE1-CE 3.25Å; E36-K39 IonicContact OE1-NZ 2.85Å; E36-K39 PolarHBondContact OE1-NZ 3.5Å; E36-K39 WeakPolarHBondContact OE2-CE 3.44Å; E36-K39 IonicContact OE2-NZ 3.92Å; E36-K39 PolarHBondContact OE2-NZ 2.86Å; K39-K55 VanDerWaalsContact CD-CE 3.41Å; K39-K55 HydrophobicContact CG-CG 4.42Å; K39-F56 WeakPolarHBondContact CA-O 3.43Å
40V96.3Very high91.5Very high0 Ų059.1 Ų59.10%030%0.303CS..EExtended strand (participates in β ladder)trans-125.6125.2171.7179.50000108.5V33 E34 I35 K55 F56 L58 I78 L80V33-V40 HydrophobicContact CG1-CG1 4.16Å; E34-V40 WeakPolarHBondContact O-CA 3.39Å; I35-V40 HydrophobicContact CG2-CG2 4.43Å; V40-K55 CarbonylContact O-C 3.47Å; V40-K55 WeakPolarHBondContact O-CA 3.4Å; V40-F56 HydrophobicContact CB-CB 4.35Å; V40-F56 HydrophobicContact CB-CD2 4.25Å; V40-F56 HydrophobicContact CG1-CD2 4.37Å; V40-F56 PolarHBondContact N-O 2.85Å; V40-F56 PolarHBondContact O-N 3.22Å; V40-L58 HydrophobicContact CG2-CD1 4.03Å; V40-L58 HydrophobicContact CG2-CD2 4.11Å; V40-L58 HydrophobicContact CG2-CG 4.32Å; V40-I78 HydrophobicContact CG1-CD1 3.94Å; V40-I78 HydrophobicContact CG1-CG2 4.38Å; V40-L80 HydrophobicContact CG2-CD1 3.86Å; V40-L80 HydrophobicContact CG2-CD2 3.87Å
41S95.1Very high91.4Very high1 Ų160.7 Ų60.71%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-117.8125.3176.7-580000109.4V33 E34 Y43V33-S41 WeakPolarHBondContact CA-O 3.31Å; E34-S41 PolarHBondContact N-O 2.79Å; E34-S41 PolarHBondContact O-N 3.19Å; S41-Y43 WeakPolarHBondContact CB-OH 3.34Å
42L94Very high91.2Very high0 Ų064.4 Ų64.40%033%0.328CS..EExtended strand (participates in β ladder)trans-105.7124.4176.1176.365.5000109.2F8 C21 I31 V33 L53 K54 I76F8-L42 HydrophobicContact CE1-CD2 4.25Å; C21-L42 HydrophobicContact CB-CD2 4.06Å; I31-L42 HydrophobicContact CG2-CD1 3.79Å; V33-L42 HydrophobicContact CG2-CD1 3.75Å; L42-L53 HydrophobicContact CD2-CB 4.16Å; L42-L53 HydrophobicContact CD2-CD1 3.98Å; L42-L53 HydrophobicContact CG-CB 4.07Å; L42-L53 HydrophobicContact CG-CD1 3.96Å; L42-L53 WeakPolarHBondContact O-CB 3.41Å; L42-L53 PolarHBondContact O-N 3.11Å; L42-K54 PolarHBondContact N-O 2.86Å; L42-K54 PolarHBondContact O-N 2.83Å; L42-I76 HydrophobicContact CD1-CD1 4.21Å; L42-I76 HydrophobicContact CD1-CG2 4.41Å; L42-I76 HydrophobicContact CD2-CD1 4.29Å
43Y91.9Very high91Very high44 Ų4461.6 Ų61.617%0.17332%0.32CS..EExtended strand (participates in β ladder)trans-120147.2-178.9-57.2-90.6000111.4R32 E34 S41 D50 E51 L52R32-Y43 PolarHBondContact N-O 3.01Å; R32-Y43 PolarHBondContact O-N 2.88Å; E34-Y43 HydrophobicContact CB-CE2 4.17Å; E34-Y43 VanDerWaalsContact CD-CE2 3.44Å; E34-Y43 HydrophobicContact CG-CD2 4.39Å; E34-Y43 HydrophobicContact CG-CE2 3.91Å; S41-Y43 WeakPolarHBondContact CB-OH 3.34Å; Y43-D50 HydrophobicContact CD1-CB 4.41Å; Y43-E51 CarbonylContact C-O 3.56Å; Y43-E51 VanDerWaalsContact CA-O 3.29Å; Y43-E51 WeakPolarHBondContact CA-O 3.26Å; Y43-L52 HydrophobicContact CD1-CB 4.14Å; Y43-L52 HydrophobicContact CD1-CD1 3.9Å; Y43-L52 HydrophobicContact CE1-CB 4.08Å; Y43-L52 HydrophobicContact CE1-CD1 3.49Å; Y43-L52 VanDerWaalsContact CE1-CD1 3.49Å; Y43-L52 HydrophobicContact CE1-CG 4.36Å; Y43-L52 HydrophobicContact CE2-CD1 4.43Å
44L90.4Very high90.8Very high27 Ų2764 Ų6414%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-108.4113.2166.8-177.569.7000108.5D30 I31 I46 E51 L53D30-L44 HydrophobicContact CB-CD1 4.07Å; D30-L44 CarbonylContact O-C 3.55Å; D30-L44 WeakPolarHBondContact O-CA 3.27Å; I31-L44 HydrophobicContact CD1-CD1 3.76Å; L44-I46 HydrophobicContact CD2-CG2 4Å; L44-I46 HydrophobicContact CG-CG2 4.01Å; L44-I46 PolarHBondContact O-N 2.88Å; L44-E51 PolarHBondContact N-O 2.87Å; L44-E51 PolarHBondContact O-N 3.4Å; L44-L53 HydrophobicContact CB-CD1 3.91Å; L44-L53 HydrophobicContact CB-CD2 3.87Å; L44-L53 HydrophobicContact CB-CG 3.79Å; L44-L53 HydrophobicContact CD2-CD2 4.33Å
45T87.5Confident90.7Very high51 Ų5165.8 Ų65.831%0.31334%0.336SS..EExtended strand (participates in β ladder)trans-72.5103.9174.8-48.80000108.5D30D30-T45 PolarHBondContact O-N 2.9Å
46I85Confident90.5Very high63 Ų6364.3 Ų64.332%0.32333%0.328SS..EExtended strand (participates in β ladder)trans-103.9156.6170.558.6171.4000109.5L44 T48 G49L44-I46 HydrophobicContact CD2-CG2 4Å; L44-I46 HydrophobicContact CG-CG2 4.01Å; L44-I46 PolarHBondContact O-N 2.88Å; I46-T48 PolarHBondContact O-N 3.05Å; I46-G49 WeakPolarHBondContact CG1-O 3.46Å; I46-G49 PolarHBondContact N-O 2.82Å; I46-G49 VanDerWaalsContact N-O 3.17Å; I46-G49 CarbonylContact O-C 3.53Å; I46-G49 PolarHBondContact O-N 3.05Å
47P82.1Confident90.5Very high145 Ų14563 Ų6394%0.94232%0.322SS*.THydrogen-bonded Turntrans-56.2-22.4179.4-27.335.1000114.6
48T83.9Confident90.5Very high137 Ų13755.3 Ų55.384%0.8429%0.293SS*.THydrogen-bonded Turntrans-84.3-10.9179.7-480000113.2I46I46-T48 PolarHBondContact O-N 3.05Å
49G83.2Confident90.4Very high37 Ų3752.2 Ų52.238%0.38128%0.283SS..EExtended strand (participates in β ladder)trans137.4174.3-175.500000112.1I46 E51I46-G49 WeakPolarHBondContact CG1-O 3.46Å; I46-G49 PolarHBondContact N-O 2.82Å; I46-G49 VanDerWaalsContact N-O 3.17Å; I46-G49 CarbonylContact O-C 3.53Å; I46-G49 PolarHBondContact O-N 3.05Å; G49-E51 PolarHBondContact O-N 3.24Å
50D85.7Confident90.4Very high74 Ų7452.4 Ų52.440%0.39629%0.285SS..EExtended strand (participates in β ladder)trans-81123.2178.5-59.9-31.9000111R32 Y43R32-D50 IonicContact CZ-OD2 2.71Å; R32-D50 VanDerWaalsContact CZ-OD2 3.3Å; R32-D50 IonicContact NH1-OD2 3.52Å; R32-D50 PolarHBondContact NH1-OD2 2.75Å; R32-D50 IonicContact NH2-OD2 2.62Å; R32-D50 PolarHBondContact NH2-OD2 2.84Å; Y43-D50 HydrophobicContact CD1-CB 4.41Å
51E88.9Confident90.3Very high93 Ų9356.1 Ų56.144%0.43530%0.302SS..EExtended strand (participates in β ladder)trans-91.8124.3172.9-173.7176.1-175.100109.8Y43 L44 G49 L53Y43-E51 CarbonylContact C-O 3.56Å; Y43-E51 VanDerWaalsContact CA-O 3.29Å; Y43-E51 WeakPolarHBondContact CA-O 3.26Å; L44-E51 PolarHBondContact N-O 2.87Å; L44-E51 PolarHBondContact O-N 3.4Å; G49-E51 PolarHBondContact O-N 3.24Å; E51-L53 PolarHBondContact O-N 2.82Å
52L88.7Confident90.4Very high86 Ų8656.2 Ų56.245%0.4530%0.302SS..EExtended strand (participates in β ladder)trans-72.5110.1172.8179.570.6000109.5Y43 K55Y43-L52 HydrophobicContact CD1-CB 4.14Å; Y43-L52 HydrophobicContact CD1-CD1 3.9Å; Y43-L52 HydrophobicContact CE1-CB 4.08Å; Y43-L52 HydrophobicContact CE1-CD1 3.49Å; Y43-L52 VanDerWaalsContact CE1-CD1 3.49Å; Y43-L52 HydrophobicContact CE1-CG 4.36Å; Y43-L52 HydrophobicContact CE2-CD1 4.43Å; L52-K55 HydrophobicContact CD1-CB 4.41Å; L52-K55 HydrophobicContact CD2-CB 4.3Å
53L88.2Confident90.6Very high34 Ų3457.9 Ų57.918%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-74.6-51177.2-68.1-178.8000111.4I31 L42 L44 E51I31-L53 HydrophobicContact CD1-CD1 4.45Å; L42-L53 HydrophobicContact CD2-CB 4.16Å; L42-L53 HydrophobicContact CD2-CD1 3.98Å; L42-L53 HydrophobicContact CG-CB 4.07Å; L42-L53 HydrophobicContact CG-CD1 3.96Å; L42-L53 WeakPolarHBondContact O-CB 3.41Å; L42-L53 PolarHBondContact O-N 3.11Å; L44-L53 HydrophobicContact CB-CD1 3.91Å; L44-L53 HydrophobicContact CB-CD2 3.87Å; L44-L53 HydrophobicContact CB-CG 3.79Å; L44-L53 HydrophobicContact CD2-CD2 4.33Å; E51-L53 PolarHBondContact O-N 2.82Å
54K91Very high90.8Very high67 Ų6757.2 Ų57.229%0.29131%0.313SS..EExtended strand (participates in β ladder)trans-159.3143.7-179.1-178.564.7177.8166.10110.1F8 L42 F56 E92F8-K54 HydrophobicContact CE1-CB 3.92Å; F8-K54 HydrophobicContact CE1-CG 4.02Å; F8-K54 HydrophobicContact CE2-CB 4.1Å; F8-K54 HydrophobicContact CE2-CD 4.43Å; F8-K54 HydrophobicContact CE2-CG 4.06Å; F8-K54 HydrophobicContact CZ-CB 3.45Å; F8-K54 VanDerWaalsContact CZ-CB 3.45Å; F8-K54 HydrophobicContact CZ-CG 3.75Å; L42-K54 PolarHBondContact N-O 2.86Å; L42-K54 PolarHBondContact O-N 2.83Å; K54-F56 HydrophobicContact CB-CE2 4.23Å; K54-F56 HydrophobicContact CB-CZ 4.36Å; K54-F56 HydrophobicContact CD-CE1 4.37Å; K54-F56 HydrophobicContact CD-CZ 4.34Å; K54-F56 VanDerWaalsContact CE-CE1 3.45Å; K54-F56 HydrophobicContact CG-CD1 4.43Å; K54-F56 HydrophobicContact CG-CD2 4.18Å; K54-F56 HydrophobicContact CG-CE1 3.84Å; K54-F56 HydrophobicContact CG-CE2 3.55Å; K54-F56 HydrophobicContact CG-CZ 3.36Å; K54-E92 IonicContact NZ-OE1 2.99Å; K54-E92 PolarHBondContact NZ-OE1 3.3Å
55K93.7Very high91Very high103 Ų10363.1 Ų63.145%0.44834%0.341SS..EExtended strand (participates in β ladder)trans-120.8136173-175.1-176.9179-170.90108.3K39 V40 L52K39-K55 VanDerWaalsContact CD-CE 3.41Å; K39-K55 HydrophobicContact CG-CG 4.42Å; V40-K55 CarbonylContact O-C 3.47Å; V40-K55 WeakPolarHBondContact O-CA 3.4Å; L52-K55 HydrophobicContact CD1-CB 4.41Å; L52-K55 HydrophobicContact CD2-CB 4.3Å
56F93.7Very high91.5Very high5 Ų566.5 Ų66.52%0.02235%0.353CS..EExtended strand (participates in β ladder)trans-117125.5176.2-58.5-83.7000109.2F8 I19 K39 V40 K54 L58 L91 E92F8-F56 HydrophobicContact CD1-CE2 4.38Å; F8-F56 AromaticContact CD1-CZ 3.58Å; F8-F56 HydrophobicContact CD1-CZ 3.58Å; F8-F56 HydrophobicContact CE1-CE2 4.34Å; F8-F56 AromaticContact CE1-CZ 3.89Å; F8-F56 HydrophobicContact CE1-CZ 3.89Å; F8-F56 HydrophobicContact CG-CZ 4.11Å; I19-F56 HydrophobicContact CD1-CD2 4.28Å; I19-F56 HydrophobicContact CD1-CG 4.44Å; I19-F56 HydrophobicContact CG2-CE1 4.42Å; I19-F56 HydrophobicContact CG2-CE2 3.96Å; I19-F56 HydrophobicContact CG2-CZ 3.81Å; K39-F56 WeakPolarHBondContact CA-O 3.43Å; V40-F56 HydrophobicContact CB-CB 4.35Å; V40-F56 HydrophobicContact CB-CD2 4.25Å; V40-F56 HydrophobicContact CG1-CD2 4.37Å; V40-F56 PolarHBondContact N-O 2.85Å; V40-F56 PolarHBondContact O-N 3.22Å; K54-F56 HydrophobicContact CB-CE2 4.23Å; K54-F56 HydrophobicContact CB-CZ 4.36Å; K54-F56 HydrophobicContact CD-CE1 4.37Å; K54-F56 HydrophobicContact CD-CZ 4.34Å; K54-F56 VanDerWaalsContact CE-CE1 3.45Å; K54-F56 HydrophobicContact CG-CD1 4.43Å; K54-F56 HydrophobicContact CG-CD2 4.18Å; K54-F56 HydrophobicContact CG-CE1 3.84Å; K54-F56 HydrophobicContact CG-CE2 3.55Å; K54-F56 HydrophobicContact CG-CZ 3.36Å; F56-L58 HydrophobicContact CB-CD2 4.31Å; F56-L91 HydrophobicContact CD1-CD2 3.67Å; F56-L91 HydrophobicContact CE1-CD2 3.86Å; F56-L91 HydrophobicContact CG-CD2 4.4Å; F56-E92 HydrophobicContact CB-CG 4.31Å; F56-E92 HydrophobicContact CD1-CG 3.9Å; F56-E92 WeakPolarHBondContact CD1-OE1 3.45Å
57Q95.1Very high92Very high56 Ų5664.3 Ų64.326%0.26234%0.343SS..EExtended strand (participates in β ladder)trans-93.897.3169.6-178.351.25900108.3R38 E92 S93R38-Q57 PolarHBondContact O-NE2 2.82Å; Q57-E92 PolarHBondContact N-OE2 3.02Å; Q57-E92 CarbonylContact O-C 3.54Å; Q57-E92 WeakPolarHBondContact O-CA 3.21Å; Q57-S93 PolarHBondContact O-N 2.77Å
58L95.4Very high92.7Very high0 Ų060.5 Ų60.50%032%0.32CS..BIsolated β-bridgetrans-62.4146.1-169.8-58.1178.3000112.6R38 V40 F56 H60 V62 L80 W88 L91 S93R38-L58 WeakPolarHBondContact O-CB 3.35Å; R38-L58 PolarHBondContact O-N 3Å; V40-L58 HydrophobicContact CG2-CD1 4.03Å; V40-L58 HydrophobicContact CG2-CD2 4.11Å; V40-L58 HydrophobicContact CG2-CG 4.32Å; F56-L58 HydrophobicContact CB-CD2 4.31Å; L58-H60 WeakPolarHBondContact CB-O 3.36Å; L58-V62 HydrophobicContact CD1-CB 4.37Å; L58-V62 HydrophobicContact CD1-CG1 3.78Å; L58-V62 HydrophobicContact CD1-CG2 3.65Å; L58-L80 HydrophobicContact CD1-CD1 4.12Å; L58-L80 HydrophobicContact CD2-CD1 4.03Å; L58-W88 HydrophobicContact CB-CH2 3.78Å; L58-W88 HydrophobicContact CB-CZ3 4.02Å; L58-W88 HydrophobicContact CD1-CH2 4.18Å; L58-W88 HydrophobicContact CD2-CH2 4.08Å; L58-W88 HydrophobicContact CD2-CZ3 4Å; L58-W88 HydrophobicContact CG-CH2 4.23Å; L58-W88 HydrophobicContact CG-CZ3 4.5Å; L58-L91 WeakPolarHBondContact CA-O 3.14Å; L58-L91 HydrophobicContact CD2-CD1 4.31Å; L58-S93 PolarHBondContact O-OG 2.7Å
59L93.4Very high93.3Very high28 Ų2859.1 Ų59.115%0.14730%0.3CS..SBendtrans-66-48.7175.9-178.359.6000112.3R38 W88 H90 L91 S93R38-L59 PolarHBondContact NH1-O 2.99Å; R38-L59 PolarHBondContact NH2-O 3.18Å; L59-W88 HydrophobicContact CB-CE3 4.13Å; L59-W88 HydrophobicContact CB-CZ3 4.41Å; L59-H90 WeakPolarHBondContact CD1-NE2 3.23Å; L59-H90 WeakPolarHBondContact CD2-O 3.43Å; L59-L91 PolarHBondContact N-O 3.06Å; L59-S93 WeakPolarHBondContact CA-OG 3.26Å
60H94.3Very high93.9Very high49 Ų4965.1 Ų65.123%0.22731%0.311CS..SBendtrans-120.3170179-58.8-79.9000111.5L58 W88L58-H60 WeakPolarHBondContact CB-O 3.36Å; H60-W88 HydrophobicContact CB-CZ2 3.7Å; H60-W88 AromaticContact CD2-CD1 3.52Å; H60-W88 AromaticContact CD2-CD2 3.99Å; H60-W88 AromaticContact CD2-CE2 3.9Å; H60-W88 AromaticContact CD2-CG 3.8Å; H60-W88 AromaticContact CD2-NE1 3.58Å; H60-W88 AromaticContact CG-NE1 3.92Å; H60-W88 WeakPolarHBondContact O-CH2 3.49Å; H60-W88 WeakPolarHBondContact O-CZ2 3.32Å
61E95.8Very high94.3Very high79 Ų7963 Ų6337%0.36930%0.3SS..  trans-77.7146.2-179.1-50.1-156.916400112.1R37 R38 A83R37-E61 CarbonylContact O-C 3.39Å; R37-E61 WeakPolarHBondContact O-CA 3.43Å; R38-E61 HydrophobicContact CG-CB 4.47Å; R38-E61 HydrophobicContact CG-CG 3.76Å; R38-E61 IonicContact NE-OE1 3.53Å; E61-A83 HydrophobicContact CB-CB 3.98Å; E61-A83 WeakPolarHBondContact O-CB 3.47Å; E61-A83 PolarHBondContact O-N 3.23Å
62V96.9Very high94.4Very high2 Ų260.8 Ų60.81%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-120.2161.9173.5-60.20000109.2I35 R37 L58 P64 L80 K81 W88I35-V62 HydrophobicContact CG2-CG2 4.28Å; R37-V62 WeakPolarHBondContact O-CG2 3.4Å; R37-V62 PolarHBondContact O-N 3.17Å; L58-V62 HydrophobicContact CD1-CB 4.37Å; L58-V62 HydrophobicContact CD1-CG1 3.78Å; L58-V62 HydrophobicContact CD1-CG2 3.65Å; V62-P64 VanDerWaalsContact O-CD 3.26Å; V62-P64 WeakPolarHBondContact O-CD 3.46Å; V62-L80 HydrophobicContact CB-CB 4.29Å; V62-L80 HydrophobicContact CG1-CB 3.87Å; V62-L80 HydrophobicContact CG1-CD1 4.29Å; V62-K81 CarbonylContact C-O 3.57Å; V62-K81 WeakPolarHBondContact CA-O 3.48Å; V62-K81 WeakPolarHBondContact CB-O 3.25Å; V62-W88 HydrophobicContact CG1-CH2 4Å; V62-W88 HydrophobicContact CG1-CZ2 3.97Å
63V97Very high94.4Very high36 Ų3659.9 Ų59.922%0.21830%0.298CS..EExtended strand (participates in β ladder)trans-96.798.6174.5-176.20000107.4E65 E66 S67 K81 A83V63-E65 HydrophobicContact CG1-CB 4.43Å; V63-E65 VanDerWaalsContact CG1-OE2 3.26Å; V63-E65 WeakPolarHBondContact CG1-OE2 3.18Å; V63-E65 PolarHBondContact O-N 2.75Å; V63-E66 HydrophobicContact CB-CB 4.35Å; V63-E66 HydrophobicContact CG1-CB 4.07Å; V63-E66 HydrophobicContact CG1-CG 4.1Å; V63-E66 PolarHBondContact O-N 2.82Å; V63-S67 PolarHBondContact O-N 3.2Å; V63-S67 PolarHBondContact O-OG 3.42Å; V63-K81 HydrophobicContact CB-CB 4.23Å; V63-K81 HydrophobicContact CB-CG 4.12Å; V63-K81 HydrophobicContact CG2-CG 4.29Å; V63-K81 PolarHBondContact N-O 3.07Å; V63-A83 HydrophobicContact CG2-CB 4.15Å
64P96.2Very high94.4Very high29 Ų2962.6 Ų62.619%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-59.9-31.8-175.7-25.337.8000112.8I35 R37 V62 E66 S67I35-P64 HydrophobicContact CB-CB 4.49Å; I35-P64 HydrophobicContact CG2-CB 4.08Å; I35-P64 HydrophobicContact CG2-CG 4.48Å; R37-P64 HydrophobicContact CG-CG 4.2Å; V62-P64 VanDerWaalsContact O-CD 3.26Å; V62-P64 WeakPolarHBondContact O-CD 3.46Å; P64-E66 VanDerWaalsContact C-N 3.3Å; P64-E66 PolarHBondContact O-N 2.86Å; P64-S67 PolarHBondContact O-N 2.98Å
65E96.2Very high94.6Very high152 Ų15261.5 Ų61.571%0.7131%0.312SS*.EExtended strand (participates in β ladder)trans-68-28.3-177.6-55.679.3-172.600112.9V63V63-E65 HydrophobicContact CG1-CB 4.43Å; V63-E65 VanDerWaalsContact CG1-OE2 3.26Å; V63-E65 WeakPolarHBondContact CG1-OE2 3.18Å; V63-E65 PolarHBondContact O-N 2.75Å
66E96.4Very high94.6Very high121 Ų12156.6 Ų56.657%0.56529%0.29SS*.EExtended strand (participates in β ladder)trans-100.30.6175.9-72.6-173.5-135.500112.9V63 P64 K81V63-E66 HydrophobicContact CB-CB 4.35Å; V63-E66 HydrophobicContact CG1-CB 4.07Å; V63-E66 HydrophobicContact CG1-CG 4.1Å; V63-E66 PolarHBondContact O-N 2.82Å; P64-E66 VanDerWaalsContact C-N 3.3Å; P64-E66 PolarHBondContact O-N 2.86Å; E66-K81 HydrophobicContact CB-CB 3.66Å; E66-K81 HydrophobicContact CB-CG 3.75Å; E66-K81 WeakPolarHBondContact OE2-CE 3.26Å
67S97Very high94.7Very high17 Ų1758.4 Ų58.412%0.11930%0.299CS..EExtended strand (participates in β ladder)trans-90.3149.5178.6-60.20000110.4V63 P64 K79 L80 K81V63-S67 PolarHBondContact O-N 3.2Å; V63-S67 PolarHBondContact O-OG 3.42Å; P64-S67 PolarHBondContact O-N 2.98Å; S67-K79 CarbonylContact C-O 3.6Å; S67-K79 VanDerWaalsContact CA-O 3.29Å; S67-K79 WeakPolarHBondContact CA-O 3.26Å; S67-K79 WeakPolarHBondContact CB-O 3.38Å; S67-L80 WeakPolarHBondContact OG-CA 3.48Å; S67-K81 PolarHBondContact OG-N 3.02Å
68S96.1Very high94.9Very high65 Ų6555.8 Ų55.846%0.45529%0.287SS..EExtended strand (participates in β ladder)trans-147.8167.3-178.161.60000111.6K79S68-K79 PolarHBondContact N-O 3.45Å; S68-K79 WeakPolarHBondContact O-CA 3.49Å; S68-K79 PolarHBondContact O-N 3.15Å; S68-K79 VanDerWaalsContact O-O 3.06Å
69Y96.4Very high95Very high108 Ų10859.7 Ų59.742%0.42430%0.304SS..EExtended strand (participates in β ladder)trans-137.3153.9174.272.3-82.6000111.2V33 V71 E77V33-Y69 HydrophobicContact CB-CD1 3.89Å; V33-Y69 HydrophobicContact CB-CD2 4.38Å; V33-Y69 HydrophobicContact CB-CE1 4.17Å; V33-Y69 HydrophobicContact CB-CG 4.01Å; V33-Y69 HydrophobicContact CG2-CD1 4.13Å; V33-Y69 HydrophobicContact CG2-CD2 3.72Å; V33-Y69 HydrophobicContact CG2-CE1 4.47Å; V33-Y69 HydrophobicContact CG2-CE2 4.08Å; V33-Y69 HydrophobicContact CG2-CG 3.74Å; Y69-V71 HydrophobicContact CD2-CG2 3.92Å; Y69-V71 HydrophobicContact CE2-CG2 3.93Å; Y69-E77 CarbonylContact C-O 3.51Å; Y69-E77 WeakPolarHBondContact CA-O 3.33Å; Y69-E77 WeakPolarHBondContact CB-O 3.35Å
70R95.2Very high95.2Very high163 Ų16358.3 Ų58.362%0.61530%0.297SS*.EExtended strand (participates in β ladder)trans-131.3136176.8-173.9-178.5-178.6-160.32.7109.6I76 E77R70-I76 CarbonylContact O-C 3.52Å; R70-I76 WeakPolarHBondContact O-CA 3.29Å; R70-E77 HydrophobicContact CB-CB 4.49Å; R70-E77 PolarHBondContact N-O 3.49Å; R70-E77 PolarHBondContact O-N 2.9Å
71V94.2Very high95.3Very high29 Ų2958.3 Ų58.318%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-111.1129177.3-171.70000109.8I26 P28 I31 Y69 I76I26-V71 HydrophobicContact CB-CG1 4.37Å; I26-V71 HydrophobicContact CG2-CG1 3.5Å; I26-V71 VanDerWaalsContact CG2-CG1 3.5Å; P28-V71 HydrophobicContact CB-CB 4.2Å; P28-V71 HydrophobicContact CB-CG1 4.24Å; P28-V71 HydrophobicContact CG-CG1 4.26Å; I31-V71 HydrophobicContact CB-CG2 4.14Å; I31-V71 HydrophobicContact CG1-CG1 4.3Å; I31-V71 HydrophobicContact CG2-CG2 4.05Å; Y69-V71 HydrophobicContact CD2-CG2 3.92Å; Y69-V71 HydrophobicContact CE2-CG2 3.93Å; V71-I76 HydrophobicContact CG1-CG1 3.99Å; V71-I76 HydrophobicContact CG2-CG1 4.28Å; V71-I76 HydrophobicContact CG2-CG2 4.36Å
72T91.7Very high95.4Very high48 Ų4855 Ų5529%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-120.9161172.6-54.80000108.6T74 K75T72-T74 PolarHBondContact O-N 2.89Å; T72-K75 WeakPolarHBondContact CA-O 3.4Å; T72-K75 PolarHBondContact N-O 2.83Å; T72-K75 PolarHBondContact O-N 2.81Å; T72-K75 VanDerWaalsContact O-O 3.04Å
73A88.4Confident95.3Very high66 Ų6657.2 Ų57.255%0.54530%0.299SS..THydrogen-bonded Turntrans-57.1-20.7179.400000114.7K25K25-A73 PolarHBondContact N-O 2.77Å
74T89.6Confident95.1Very high91 Ų9160.1 Ų60.156%0.55831%0.313SS*.THydrogen-bonded Turntrans-112.3-17.9-175.454.80000114.5R23 T72R23-T74 PolarHBondContact N-O 3.43Å; R23-T74 CarbonylContact O-C 3.46Å; R23-T74 VanDerWaalsContact O-C 3.25Å; T72-T74 PolarHBondContact O-N 2.89Å
75K93.3Very high94.9Very high44 Ų4466.4 Ų66.419%0.19134%0.337CS..EExtended strand (participates in β ladder)trans-161.7158.2-17866.4174.3-174.11590113.4D20 C21 F22 T72 E77D20-K75 IonicContact OD2-NZ 3.84Å; D20-K75 PolarHBondContact OD2-NZ 2.84Å; C21-K75 CarbonylContact O-C 3.51Å; C21-K75 WeakPolarHBondContact O-CA 3.49Å; C21-K75 WeakPolarHBondContact O-CB 3.44Å; F22-K75 HydrophobicContact CD1-CB 4.06Å; F22-K75 HydrophobicContact CD1-CD 4.43Å; F22-K75 HydrophobicContact CE1-CB 4.39Å; F22-K75 HydrophobicContact CE1-CD 3.94Å; F22-K75 HydrophobicContact CZ-CD 4.49Å; T72-K75 WeakPolarHBondContact CA-O 3.4Å; T72-K75 PolarHBondContact N-O 2.83Å; T72-K75 PolarHBondContact O-N 2.81Å; T72-K75 VanDerWaalsContact O-O 3.04Å; K75-E77 HydrophobicContact CD-CG 4.05Å; K75-E77 WeakPolarHBondContact CE-OE1 3.43Å; K75-E77 HydrophobicContact CG-CG 4.28Å; K75-E77 IonicContact NZ-OE1 3.94Å; K75-E77 PolarHBondContact NZ-OE1 2.82Å
76I95.1Very high94.6Very high0 Ų061.9 Ų61.90%032%0.32CS..EExtended strand (participates in β ladder)trans-110.9124.5168.6-60145.3000107.1D20 C21 I26 I31 L42 R70 V71 I78D20-I76 CarbonylContact C-O 3.5Å; D20-I76 WeakPolarHBondContact CA-O 3.43Å; C21-I76 HydrophobicContact CB-CB 4.24Å; C21-I76 PolarHBondContact N-O 2.88Å; C21-I76 PolarHBondContact O-N 2.76Å; I26-I76 HydrophobicContact CD1-CD1 3.82Å; I26-I76 HydrophobicContact CD1-CG1 3.76Å; I26-I76 HydrophobicContact CG2-CD1 4.29Å; I26-I76 HydrophobicContact CG2-CG1 4.29Å; I31-I76 HydrophobicContact CD1-CD1 3.78Å; I31-I76 HydrophobicContact CG1-CD1 4.02Å; I31-I76 HydrophobicContact CG1-CG1 4.4Å; I31-I76 HydrophobicContact CG2-CD1 4.06Å; I31-I76 HydrophobicContact CG2-CG1 4.29Å; I31-I76 HydrophobicContact CG2-CG2 4.45Å; L42-I76 HydrophobicContact CD1-CD1 4.21Å; L42-I76 HydrophobicContact CD1-CG2 4.41Å; L42-I76 HydrophobicContact CD2-CD1 4.29Å; R70-I76 CarbonylContact O-C 3.52Å; R70-I76 WeakPolarHBondContact O-CA 3.29Å; V71-I76 HydrophobicContact CG1-CG1 3.99Å; V71-I76 HydrophobicContact CG2-CG1 4.28Å; V71-I76 HydrophobicContact CG2-CG2 4.36Å; I76-I78 HydrophobicContact CG2-CG1 4.21Å
77E96.3Very high94.3Very high44 Ų4461 Ų6121%0.20633%0.326CS..EExtended strand (participates in β ladder)trans-106121.9177.2-56.9177.3141.500108.3Y69 R70 K75Y69-E77 CarbonylContact C-O 3.51Å; Y69-E77 WeakPolarHBondContact CA-O 3.33Å; Y69-E77 WeakPolarHBondContact CB-O 3.35Å; R70-E77 HydrophobicContact CB-CB 4.49Å; R70-E77 PolarHBondContact N-O 3.49Å; R70-E77 PolarHBondContact O-N 2.9Å; K75-E77 HydrophobicContact CD-CG 4.05Å; K75-E77 WeakPolarHBondContact CE-OE1 3.43Å; K75-E77 HydrophobicContact CG-CG 4.28Å; K75-E77 IonicContact NZ-OE1 3.94Å; K75-E77 PolarHBondContact NZ-OE1 2.82Å
78I97.4Very high94.2Very high1 Ų160.4 Ų60.41%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-110.9115.9176-52.8171.2000107.4W18 I19 V33 I35 V40 I76 L80W18-I78 CarbonylContact C-O 3.6Å; W18-I78 VanDerWaalsContact CA-O 3.29Å; W18-I78 WeakPolarHBondContact CA-O 3.25Å; I19-I78 HydrophobicContact CB-CB 4.26Å; I19-I78 PolarHBondContact N-O 2.62Å; I19-I78 PolarHBondContact O-N 3.17Å; V33-I78 HydrophobicContact CG1-CD1 3.9Å; V33-I78 HydrophobicContact CG1-CG1 4.27Å; V33-I78 HydrophobicContact CG1-CG2 4.32Å; V33-I78 HydrophobicContact CG2-CD1 4.39Å; V33-I78 HydrophobicContact CG2-CG1 4.48Å; I35-I78 HydrophobicContact CD1-CG2 4.12Å; V40-I78 HydrophobicContact CG1-CD1 3.94Å; V40-I78 HydrophobicContact CG1-CG2 4.38Å; I76-I78 HydrophobicContact CG2-CG1 4.21Å; I78-L80 HydrophobicContact CG2-CD2 3.78Å; I78-L80 HydrophobicContact CG2-CG 4.23Å
79K97.8Very high93.9Very high81 Ų8161 Ų6135%0.35233%0.325SS..EExtended strand (participates in β ladder)trans-99.4117.7176.6-178.3-175.2177.4-1710109.3N16 S67 S68N16-K79 WeakPolarHBondContact OD1-CE 2.85Å; S67-K79 CarbonylContact C-O 3.6Å; S67-K79 VanDerWaalsContact CA-O 3.29Å; S67-K79 WeakPolarHBondContact CA-O 3.26Å; S67-K79 WeakPolarHBondContact CB-O 3.38Å; S68-K79 PolarHBondContact N-O 3.45Å; S68-K79 WeakPolarHBondContact O-CA 3.49Å; S68-K79 PolarHBondContact O-N 3.15Å; S68-K79 VanDerWaalsContact O-O 3.06Å
80L97.8Very high93.7Very high0 Ų059 Ų590%032%0.32CS..EExtended strand (participates in β ladder)trans-107.6126.2178.2-54.3175.1000109.9N16 V17 I19 I35 V40 L58 V62 S67 I78N16-L80 CarbonylContact C-O 3.58Å; N16-L80 VanDerWaalsContact CA-O 3.25Å; N16-L80 WeakPolarHBondContact CA-O 3.18Å; V17-L80 HydrophobicContact CB-CB 4.37Å; V17-L80 PolarHBondContact N-O 3.37Å; V17-L80 PolarHBondContact O-N 3.39Å; I19-L80 HydrophobicContact CD1-CD1 3.76Å; I19-L80 HydrophobicContact CG1-CD1 4.37Å; I35-L80 HydrophobicContact CD1-CD2 3.98Å; I35-L80 HydrophobicContact CG1-CD2 4.3Å; I35-L80 HydrophobicContact CG2-CD2 3.73Å; V40-L80 HydrophobicContact CG2-CD1 3.86Å; V40-L80 HydrophobicContact CG2-CD2 3.87Å; L58-L80 HydrophobicContact CD1-CD1 4.12Å; L58-L80 HydrophobicContact CD2-CD1 4.03Å; V62-L80 HydrophobicContact CB-CB 4.29Å; V62-L80 HydrophobicContact CG1-CB 3.87Å; V62-L80 HydrophobicContact CG1-CD1 4.29Å; S67-L80 WeakPolarHBondContact OG-CA 3.48Å; I78-L80 HydrophobicContact CG2-CD2 3.78Å; I78-L80 HydrophobicContact CG2-CG 4.23Å
81K97.5Very high93.5Very high48 Ų4851.8 Ų51.821%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-79.2122.3170.917868174.5176.70108.7V62 V63 E66 S67V62-K81 CarbonylContact C-O 3.57Å; V62-K81 WeakPolarHBondContact CA-O 3.48Å; V62-K81 WeakPolarHBondContact CB-O 3.25Å; V63-K81 HydrophobicContact CB-CB 4.23Å; V63-K81 HydrophobicContact CB-CG 4.12Å; V63-K81 HydrophobicContact CG2-CG 4.29Å; V63-K81 PolarHBondContact N-O 3.07Å; E66-K81 HydrophobicContact CB-CB 3.66Å; E66-K81 HydrophobicContact CB-CG 3.75Å; E66-K81 WeakPolarHBondContact OE2-CE 3.26Å; S67-K81 PolarHBondContact OG-N 3.02Å
82K97.2Very high93.4Very high11 Ų1153.6 Ų53.65%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-67.7138.2176-64.2176.7174.5-176.40109.9S13 E14 D15 V17 D84 V86S13-K82 WeakPolarHBondContact O-CE 3.29Å; S13-K82 PolarHBondContact O-NZ 3.4Å; E14-K82 WeakPolarHBondContact O-CD 3.33Å; D15-K82 WeakPolarHBondContact O-CB 3.14Å; D15-K82 PolarHBondContact O-N 2.91Å; V17-K82 HydrophobicContact CG2-CD 4.18Å; V17-K82 HydrophobicContact CG2-CG 3.87Å; K82-D84 WeakPolarHBondContact CB-O 3.46Å; K82-V86 PolarHBondContact NZ-O 2.9Å
83A95.2Very high93.1Very high48 Ų4852.6 Ų52.640%0.39730%0.295SS..SBendtrans-71.5-43.717000000110.6E61 V63E61-A83 HydrophobicContact CB-CB 3.98Å; E61-A83 WeakPolarHBondContact O-CB 3.47Å; E61-A83 PolarHBondContact O-N 3.23Å; V63-A83 HydrophobicContact CG2-CB 4.15Å
84D92.1Very high92.5Very high96 Ų9657.1 Ų57.151%0.51331%0.305SS..SBendtrans-113.7145.3178.2-58.6-49.2000111.3K82 V86K82-D84 WeakPolarHBondContact CB-O 3.46Å; D84-V86 HydrophobicContact CB-CG2 3.84Å; D84-V86 PolarHBondContact O-N 2.79Å
85K91.2Very high91.1Very high161 Ų16159 Ų5970%0.731%0.312SS*.  trans-75.451.9175.8-61.6-169176.4-150.70112.4D15D15-K85 VanDerWaalsContact OD1-CE 3.23Å; D15-K85 WeakPolarHBondContact OD1-CE 3.21Å; D15-K85 IonicContact OD1-NZ 2.64Å; D15-K85 PolarHBondContact OD1-NZ 2.92Å
86V90.5Very high88.5Confident57 Ų5762.2 Ų62.235%0.34534%0.338SS..PPolyproline II helixtrans-97.9143.1179.5179.10000109.8K82 D84K82-V86 PolarHBondContact NZ-O 2.9Å; D84-V86 HydrophobicContact CB-CG2 3.84Å; D84-V86 PolarHBondContact O-N 2.79Å
87C91.2Very high85.9Confident104 Ų10468.9 Ų68.970%0.70338%0.378SS*.PPolyproline II helixtrans-82.5121.6172-170.40000109.7
88W93.1Very high83Confident4 Ų472.6 Ų72.62%0.01540%0.404CS..PPolyproline II helixtrans-82.8121-177.9-67.832.7000109.2W10 Q12 V17 L58 L59 H60 V62 H90 L91W10-W88 HydrophobicContact CH2-CB 4.13Å; W10-W88 HydrophobicContact CZ3-CB 4.09Å; Q12-W88 PolarHBondContact NE2-O 2.75Å; V17-W88 HydrophobicContact CG2-CD2 3.98Å; V17-W88 HydrophobicContact CG2-CE3 4.36Å; V17-W88 HydrophobicContact CG2-CG 4.39Å; V17-W88 HydrophobicContact CG2-CH2 4.48Å; V17-W88 HydrophobicContact CG2-CZ2 4.13Å; L58-W88 HydrophobicContact CB-CH2 3.78Å; L58-W88 HydrophobicContact CB-CZ3 4.02Å; L58-W88 HydrophobicContact CD1-CH2 4.18Å; L58-W88 HydrophobicContact CD2-CH2 4.08Å; L58-W88 HydrophobicContact CD2-CZ3 4Å; L58-W88 HydrophobicContact CG-CH2 4.23Å; L58-W88 HydrophobicContact CG-CZ3 4.5Å; L59-W88 HydrophobicContact CB-CE3 4.13Å; L59-W88 HydrophobicContact CB-CZ3 4.41Å; H60-W88 HydrophobicContact CB-CZ2 3.7Å; H60-W88 AromaticContact CD2-CD1 3.52Å; H60-W88 AromaticContact CD2-CD2 3.99Å; H60-W88 AromaticContact CD2-CE2 3.9Å; H60-W88 AromaticContact CD2-CG 3.8Å; H60-W88 AromaticContact CD2-NE1 3.58Å; H60-W88 AromaticContact CG-NE1 3.92Å; H60-W88 WeakPolarHBondContact O-CH2 3.49Å; H60-W88 WeakPolarHBondContact O-CZ2 3.32Å; V62-W88 HydrophobicContact CG1-CH2 4Å; V62-W88 HydrophobicContact CG1-CZ2 3.97Å; W88-H90 VanDerWaalsContact C-N 3.31Å; W88-L91 HydrophobicContact CE3-CD1 4.21Å; W88-L91 HydrophobicContact CZ3-CD1 3.92Å; W88-L91 WeakPolarHBondContact CZ3-O 3.16Å
89S90.6Very high79.9Confident77 Ų7775.8 Ų75.854%0.53844%0.438SS..SBendtrans-73.1-27.6173.549.90000112.7
90H92.3Very high76.9Confident66 Ų6678 Ų7831%0.30646%0.463SS..  trans-152.7157.8178.144.8-100.7000109.3L59 W88 E92L59-H90 WeakPolarHBondContact CD1-NE2 3.23Å; L59-H90 WeakPolarHBondContact CD2-O 3.43Å; W88-H90 VanDerWaalsContact C-N 3.31Å; H90-E92 PolarHBondContact CD2-O 2.86Å
91L91.9Very high73.8Confident12 Ų1281.5 Ų81.56%0.06350%0.499CS..SBendtrans-73.4-45.7-178.4-176.567.3000112.6W10 V17 I19 F56 L58 L59 W88W10-L91 HydrophobicContact CB-CD1 4.47Å; W10-L91 HydrophobicContact CB-CD2 4.12Å; W10-L91 HydrophobicContact CD2-CB 3.87Å; W10-L91 HydrophobicContact CD2-CD1 4.31Å; W10-L91 HydrophobicContact CE3-CB 4.35Å; W10-L91 HydrophobicContact CE3-CD1 4.2Å; W10-L91 HydrophobicContact CG-CB 4.03Å; W10-L91 HydrophobicContact CG-CD1 4.42Å; W10-L91 HydrophobicContact CG-CD2 4.14Å; W10-L91 HydrophobicContact CG-CG 4.44Å; W10-L91 HydrophobicContact CZ2-CB 4.48Å; V17-L91 HydrophobicContact CG1-CD1 3.86Å; I19-L91 HydrophobicContact CD1-CD1 3.96Å; I19-L91 HydrophobicContact CD1-CD2 3.94Å; I19-L91 HydrophobicContact CD1-CG 4.44Å; I19-L91 HydrophobicContact CG1-CD1 3.92Å; I19-L91 HydrophobicContact CG1-CD2 3.93Å; I19-L91 HydrophobicContact CG2-CD2 4.42Å; F56-L91 HydrophobicContact CD1-CD2 3.67Å; F56-L91 HydrophobicContact CE1-CD2 3.86Å; F56-L91 HydrophobicContact CG-CD2 4.4Å; L58-L91 WeakPolarHBondContact CA-O 3.14Å; L58-L91 HydrophobicContact CD2-CD1 4.31Å; L59-L91 PolarHBondContact N-O 3.06Å; W88-L91 HydrophobicContact CE3-CD1 4.21Å; W88-L91 HydrophobicContact CZ3-CD1 3.92Å; W88-L91 WeakPolarHBondContact CZ3-O 3.16Å
92E90.7Very high71Confident67 Ų6786.9 Ų86.931%0.31353%0.529SS..BIsolated β-bridgetrans-104.3133.9-172.7-59.3-167.1-122.700111.5K54 F56 Q57 H90 Q94K54-E92 IonicContact NZ-OE1 2.99Å; K54-E92 PolarHBondContact NZ-OE1 3.3Å; F56-E92 HydrophobicContact CB-CG 4.31Å; F56-E92 HydrophobicContact CD1-CG 3.9Å; F56-E92 WeakPolarHBondContact CD1-OE1 3.45Å; Q57-E92 PolarHBondContact N-OE2 3.02Å; Q57-E92 CarbonylContact O-C 3.54Å; Q57-E92 WeakPolarHBondContact O-CA 3.21Å; H90-E92 PolarHBondContact CD2-O 2.86Å; E92-Q94 PolarHBondContact O-N 2.86Å
93S86.6Confident68.1Low26 Ų2694.6 Ų94.618%0.18257%0.565CS.*  trans-55.6121168.1-64.30000108.4Q57 L58 L59 D95Q57-S93 PolarHBondContact O-N 2.77Å; L58-S93 PolarHBondContact O-OG 2.7Å; L59-S93 WeakPolarHBondContact CA-OG 3.26Å; S93-D95 PolarHBondContact O-N 2.76Å
94Q76Confident65.1Low161 Ų16198.1 Ų98.175%0.75258%0.581SS**  trans-67.2107.1166.7-70.5-176.31.800107.1E92 C96E92-Q94 PolarHBondContact O-N 2.86Å; Q94-C96 PolarHBondContact O-N 3.11Å
95D58.5Low62.6Low132 Ų13298 Ų9871%0.70659%0.587SS**  trans-6485170.4-70.6-36.4000108.5S93 V97S93-D95 PolarHBondContact O-N 2.76Å; D95-V97 PolarHBondContact O-N 2.82Å; D95-V97 VanDerWaalsContact O-N 3.12Å
96C39.9Very low59.9Low111 Ų11198.6 Ų98.675%0.7559%0.593SS**  trans-73.997.4161.653.60000106.9Q94 T98Q94-C96 PolarHBondContact O-N 3.11Å; C96-T98 PolarHBondContact O-N 2.87Å
97V39.4Very low57.4Low139 Ų139102.6 Ų102.684%0.84261%0.613SS**SBendtrans-58.886.4158.8-86.10000108.8D95D95-V97 PolarHBondContact O-N 2.82Å; D95-V97 VanDerWaalsContact O-N 3.12Å
98T35.3Very low55Low123 Ų123104.7 Ų104.776%0.75562%0.622SS**SBendtrans-179.7112.1147.9-70.80000107.2C96C96-T98 PolarHBondContact O-N 2.87Å
99G33.3Very low52.4Low68 Ų68109.8 Ų109.870%0.70165%0.653SS**  trans-65.1140.3179.300000113
100S33.6Very low49.9Very low128 Ų128115.3 Ų115.390%0.89567%0.668SS**  166.9131.5129.9-77.60000109.4
101G34.2Very low47.8Very low73 Ų73119 Ų11975%0.75369%0.688SS**  trans93.1100.9146.500000116.5Q103G101-Q103 PolarHBondContact O-N 2.79Å
102I38.9Very low45.3Very low161 Ų161123.6 Ų123.683%0.82672%0.717SS**  trans-49.6120.9155.1-59.2162.9000108.8V104I102-V104 HydrophobicContact CG2-CG2 4.22Å
103Q34.7Very low43.5Very low173 Ų173128.8 Ų128.881%0.80874%0.741SS**  trans-130.293.9157.2-83.2-162.7-40.800109.8G101 S105G101-Q103 PolarHBondContact O-N 2.79Å; Q103-S105 PolarHBondContact O-N 2.82Å
104V33.2Very low41.7Very low121 Ų121133 Ų13373%0.73377%0.769SS**  trans-6897.3154.2178.90000106.1I102 Q106I102-V104 HydrophobicContact CG2-CG2 4.22Å; V104-Q106 HydrophobicContact CG1-CG 4.21Å
105S39.6Very low40.8Very low93 Ų93133 Ų13365%0.6576%0.764SS**  trans-105.496167.1-53.60000107.3Q103 D107Q103-S105 PolarHBondContact O-N 2.82Å; S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 VanDerWaalsContact O-N 3.11Å
106Q35Very low40.6Very low174 Ų174131.8 Ų131.881%0.81376%0.763SS**  trans-66.598.6162.9-64.2-179.7-81.400107.4V104V104-Q106 HydrophobicContact CG1-CG 4.21Å
107D37.3Very low41.1Very low142 Ų142127.9 Ų127.976%0.75974%0.737SS**  trans-13893.6157.4-112.6-32.7000108.1S105 T109S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 VanDerWaalsContact O-N 3.11Å; D107-T109 PolarHBondContact O-N 3.16Å
108V41.9Very low41.9Very low147 Ų147127.5 Ų127.589%0.89174%0.741SS**  trans-7581.5173.4-177.50000107
109T37.4Very low42.8Very low111 Ų111124.5 Ų124.568%0.68173%0.725SS**  trans-134.3100.8167.2-38.40000110.5D107D107-T109 PolarHBondContact O-N 3.16Å
110K39.3Very low44.1Very low193 Ų193132 Ų13284%0.83974%0.738SS**  trans55.665.1156.8-144.5175.6-170.9-178.50115.1V112K110-V112 PolarHBondContact O-N 2.85Å
111I47.5Very low45.3Very low144 Ų144130.3 Ų130.374%0.73873%0.726SS**  trans-68.598.2163.5-57.9-172.5000107.4H113I111-H113 PolarHBondContact O-N 3.33Å; I111-H113 VanDerWaalsContact O-N 3.16Å
112V40.1Very low46.4Very low109 Ų109132 Ų13266%0.66172%0.723SS**  trans-62.6113.6161.3-172.20000105.3K110 S114K110-V112 PolarHBondContact O-N 2.85Å; V112-S114 PolarHBondContact O-N 2.81Å
113H52.8Low47.8Very low176 Ų176129.8 Ų129.882%0.81571%0.708SS**  trans-63.982.9179.4-67.7-76.6000110.1I111 Y115I111-H113 PolarHBondContact O-N 3.33Å; I111-H113 VanDerWaalsContact O-N 3.16Å; H113-Y115 PolarHBondContact O-N 2.99Å
114S47.4Very low49.5Very low113 Ų113125.7 Ų125.779%0.7969%0.692SS**  trans-82.293.5164.9-178.40000107.3V112V112-S114 PolarHBondContact O-N 2.81Å
115Y56.6Low51.1Low162 Ų162128.2 Ų128.264%0.63569%0.688SS**  trans-62.7137.1172.5117.5-95.5000109.4H113 S117H113-Y115 PolarHBondContact O-N 2.99Å; Y115-S117 VanDerWaalsContact C-N 3.28Å; Y115-S117 PolarHBondContact O-N 2.75Å; Y115-S117 WeakPolarHBondContact OH-CA 3.43Å; Y115-S117 WeakPolarHBondContact OH-CB 2.89Å; Y115-S117 PolarHBondContact OH-OG 2.76Å
116P55.7Low52.8Low107 Ų107129.1 Ų129.170%0.69569%0.686SS**  trans-74.786.8173.530.1-30.5000108.5S118P116-S118 PolarHBondContact O-N 3.25Å
117S49.4Very low54.8Low29 Ų29126.4 Ų126.420%0.20367%0.671CS.*  trans-71.8123.1168-169.50000110.2Y115 S119Y115-S117 VanDerWaalsContact C-N 3.28Å; Y115-S117 PolarHBondContact O-N 2.75Å; Y115-S117 WeakPolarHBondContact OH-CA 3.43Å; Y115-S117 WeakPolarHBondContact OH-CB 2.89Å; Y115-S117 PolarHBondContact OH-OG 2.76Å; S117-S119 PolarHBondContact O-N 2.78Å; S117-S119 PolarHBondContact OG-N 3.28Å; S117-S119 PolarHBondContact OG-OG 3.37Å
118S56.6Low56.5Low130 Ų130122.4 Ų122.491%0.90965%0.649SS**  trans-77.52.8166.279.70000113.2P116P116-S118 PolarHBondContact O-N 3.25Å
119S54.4Low57.9Low61 Ų61120.5 Ų120.543%0.42763%0.634SS.*SBendtrans-85.3131.8174.674.10000110.9S117 S121S117-S119 PolarHBondContact O-N 2.78Å; S117-S119 PolarHBondContact OG-N 3.28Å; S117-S119 PolarHBondContact OG-OG 3.37Å; S119-S121 PolarHBondContact O-N 3.29Å; S119-S121 PolarHBondContact OG-O 3.37Å
120K60.8Low59.5Low224 Ų224121.5 Ų121.597%0.97463%0.629SS**SBendtrans-67.710.6178.8-61.8178.5180177.30114.2
121S59.3Low60.8Low93 Ų93116.3 Ų116.365%0.6561%0.608SS**  trans-140.193.7178.7-172.40000107.9S119 H123S119-S121 PolarHBondContact O-N 3.29Å; S119-S121 PolarHBondContact OG-O 3.37Å; S121-H123 PolarHBondContact O-N 2.62Å
122T56.2Low61.6Low110 Ų110111.6 Ų111.668%0.67559%0.59SS**  trans-75.7105.3172-56.70000107.4D124T122-D124 PolarHBondContact O-N 3.35Å
123H67.8Low62.9Low114 Ų114109.4 Ų109.453%0.52858%0.584SS.*  trans-78.4109.6166.9-164.161000107.6S121 W125 I128S121-H123 PolarHBondContact O-N 2.62Å; H123-W125 AromaticContact CD2-CD2 3.87Å; H123-W125 AromaticContact CD2-CE2 3.55Å; H123-W125 AromaticContact CD2-CH2 3.9Å; H123-W125 AromaticContact CD2-CZ2 3.59Å; H123-W125 AromaticContact CD2-NE1 3.98Å; H123-W125 PolarHBondContact O-N 3.3Å; H123-I128 WeakPolarHBondContact NE2-CD1 3.38Å
124D71.5Confident63.3Low86 Ų86106.6 Ų106.646%0.4657%0.571SS.*  trans-81.895.7-177.7-169-6000110T122 N126 K127T122-D124 PolarHBondContact O-N 3.35Å; D124-N126 VanDerWaalsContact C-N 3.31Å; D124-N126 PolarHBondContact O-N 3.29Å; D124-N126 PolarHBondContact OD1-N 3.48Å; D124-K127 HydrophobicContact CB-CB 4.16Å; D124-K127 WeakPolarHBondContact O-CB 3.4Å; D124-K127 PolarHBondContact O-N 3.24Å
125W67.1Low63.8Low175 Ų175106.7 Ų106.766%0.66356%0.561SS**Hα-helixtrans-68-28.1179.5-67.1101000113H123 K127 I128 D129H123-W125 AromaticContact CD2-CD2 3.87Å; H123-W125 AromaticContact CD2-CE2 3.55Å; H123-W125 AromaticContact CD2-CH2 3.9Å; H123-W125 AromaticContact CD2-CZ2 3.59Å; H123-W125 AromaticContact CD2-NE1 3.98Å; H123-W125 PolarHBondContact O-N 3.3Å; W125-K127 PolarHBondContact O-N 3.11Å; W125-I128 HydrophobicContact CD2-CD1 4.33Å; W125-I128 HydrophobicContact CE3-CD1 3.55Å; W125-I128 HydrophobicContact CZ3-CD1 3.78Å; W125-I128 WeakPolarHBondContact O-CB 3.05Å; W125-I128 PolarHBondContact O-N 3.29Å; W125-D129 PolarHBondContact O-N 3.34Å; W125-D129 VanDerWaalsContact O-N 3.07Å
126N74.1Confident63.8Low112 Ų112107.1 Ų107.160%0.59957%0.569SS**Hα-helixtrans-65-30.6175.9-73.4-47.4000111.5D124 I128 D129 K130D124-N126 VanDerWaalsContact C-N 3.31Å; D124-N126 PolarHBondContact O-N 3.29Å; D124-N126 PolarHBondContact OD1-N 3.48Å; N126-I128 VanDerWaalsContact C-N 3.33Å; N126-D129 PolarHBondContact O-N 3.5Å; N126-K130 PolarHBondContact O-N 3.03Å; N126-K130 VanDerWaalsContact O-N 3.11Å
127K78Confident63.7Low116 Ų116105 Ų10550%0.50457%0.567SS.*Hα-helixtrans-66.9-37.8173.8-174.7177.2166.9-1750110.9D124 W125 K130 E131D124-K127 HydrophobicContact CB-CB 4.16Å; D124-K127 WeakPolarHBondContact O-CB 3.4Å; D124-K127 PolarHBondContact O-N 3.24Å; W125-K127 PolarHBondContact O-N 3.11Å; K127-K130 PolarHBondContact O-N 3.33Å; K127-E131 WeakPolarHBondContact CE-OE1 3.4Å; K127-E131 HydrophobicContact CG-CG 4.35Å; K127-E131 IonicContact NZ-OE1 3.8Å; K127-E131 WeakPolarHBondContact O-CB 3.32Å; K127-E131 VanDerWaalsContact O-CG 3.32Å; K127-E131 WeakPolarHBondContact O-CG 2.81Å; K127-E131 PolarHBondContact O-N 2.75Å
128I72Confident64Low58 Ų58110.5 Ų110.530%0.29759%0.589SS.*Hα-helixtrans-64.6-43.5175.6-66.7170.3000110.8H123 W125 N126 K130 E131 A132H123-I128 WeakPolarHBondContact NE2-CD1 3.38Å; W125-I128 HydrophobicContact CD2-CD1 4.33Å; W125-I128 HydrophobicContact CE3-CD1 3.55Å; W125-I128 HydrophobicContact CZ3-CD1 3.78Å; W125-I128 WeakPolarHBondContact O-CB 3.05Å; W125-I128 PolarHBondContact O-N 3.29Å; N126-I128 VanDerWaalsContact C-N 3.33Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 2.84Å; I128-E131 PolarHBondContact O-N 2.94Å; I128-A132 WeakPolarHBondContact O-CB 3.48Å; I128-A132 PolarHBondContact O-N 3.4Å
129D71.5Confident64Low108 Ų108108.1 Ų108.158%0.57856%0.564SS**Hα-helixtrans-62.4-39.4177-70.5-24.4000111.7W125 N126 A133W125-D129 PolarHBondContact O-N 3.34Å; W125-D129 VanDerWaalsContact O-N 3.07Å; N126-D129 PolarHBondContact O-N 3.5Å; D129-A133 WeakPolarHBondContact O-CB 3.41Å; D129-A133 PolarHBondContact O-N 3.07Å
130K72.4Confident65.1Low132 Ų132109.9 Ų109.957%0.57457%0.568SS**Hα-helixtrans-67.3-45.7176.1-173.3-177.8171.7-170.40112N126 K127 I128 A133 E134N126-K130 PolarHBondContact O-N 3.03Å; N126-K130 VanDerWaalsContact O-N 3.11Å; K127-K130 PolarHBondContact O-N 3.33Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 2.84Å; K130-A133 PolarHBondContact O-N 3.01Å; K130-E134 WeakPolarHBondContact CE-OE1 3.16Å; K130-E134 IonicContact NZ-OE1 3Å; K130-E134 WeakPolarHBondContact O-CG 3.39Å; K130-E134 PolarHBondContact O-N 3.4Å
131E65.8Low66.2Low84 Ų84104.2 Ų104.239%0.39356%0.555SS.*Hα-helixtrans-64.4-40.2176.5-74.6178.4166.700111.1K127 I128 E134 I135K127-E131 WeakPolarHBondContact CE-OE1 3.4Å; K127-E131 HydrophobicContact CG-CG 4.35Å; K127-E131 IonicContact NZ-OE1 3.8Å; K127-E131 WeakPolarHBondContact O-CB 3.32Å; K127-E131 VanDerWaalsContact O-CG 3.32Å; K127-E131 WeakPolarHBondContact O-CG 2.81Å; K127-E131 PolarHBondContact O-N 2.75Å; I128-E131 PolarHBondContact O-N 2.94Å; E131-E134 PolarHBondContact O-N 3.18Å; E131-I135 WeakPolarHBondContact O-CB 3.21Å; E131-I135 WeakPolarHBondContact O-CD1 3.44Å; E131-I135 WeakPolarHBondContact O-CG1 3.34Å; E131-I135 PolarHBondContact O-N 3.19Å
132A65.3Low67.3Low44 Ų44104.6 Ų104.636%0.36455%0.549SS..Hα-helixtrans-64.4-42175.700000111.8I128 I135 E136I128-A132 WeakPolarHBondContact O-CB 3.48Å; I128-A132 PolarHBondContact O-N 3.4Å; A132-I135 PolarHBondContact O-N 2.8Å; A132-E136 WeakPolarHBondContact O-CB 3.44Å; A132-E136 WeakPolarHBondContact O-CG 3.18Å; A132-E136 PolarHBondContact O-N 3.34Å
133A65.4Low68.6Low64 Ų64103.4 Ų103.453%0.52954%0.539SS..Hα-helixtrans-66.6-36.4175.600000112.8D129 K130 G137D129-A133 WeakPolarHBondContact O-CB 3.41Å; D129-A133 PolarHBondContact O-N 3.07Å; K130-A133 PolarHBondContact O-N 3.01Å; A133-G137 PolarHBondContact O-N 2.9Å
134E61.4Low69.6Low116 Ų116102.6 Ų102.654%0.54253%0.533SS..Hα-helixtrans-68.3-37.9174.3-77.5168.9-176.900111.5K130 E131 E138K130-E134 WeakPolarHBondContact CE-OE1 3.16Å; K130-E134 IonicContact NZ-OE1 3Å; K130-E134 WeakPolarHBondContact O-CG 3.39Å; K130-E134 PolarHBondContact O-N 3.4Å; E131-E134 PolarHBondContact O-N 3.18Å; E134-E138 PolarHBondContact O-N 3.35Å
135I57.9Low70.5Confident115 Ų115102.9 Ų102.959%0.5953%0.534SS*.Hα-helixtrans-72.4-39.7175.5-67.6163.2000111.9E131 A132 G137 E138E131-I135 WeakPolarHBondContact O-CB 3.21Å; E131-I135 WeakPolarHBondContact O-CD1 3.44Å; E131-I135 WeakPolarHBondContact O-CG1 3.34Å; E131-I135 PolarHBondContact O-N 3.19Å; A132-I135 PolarHBondContact O-N 2.8Å; I135-G137 PolarHBondContact O-N 2.97Å; I135-E138 CarbonylContact O-C 3.58Å; I135-E138 PolarHBondContact O-N 3.2Å
136E56.4Low71.5Confident171 Ų17197.9 Ų97.980%0.79952%0.517SS*.Hα-helixtrans-63-32.6175-80.1-164167.400112.1A132A132-E136 WeakPolarHBondContact O-CB 3.44Å; A132-E136 WeakPolarHBondContact O-CG 3.18Å; A132-E136 PolarHBondContact O-N 3.34Å
137G55Low72.2Confident63 Ų6397.7 Ų97.765%0.64951%0.511SS*.Hα-helixtrans-75.2-28.4175.300000113.8A133 I135 E139A133-G137 PolarHBondContact O-N 2.9Å; I135-G137 PolarHBondContact O-N 2.97Å; G137-E139 PolarHBondContact O-N 3.36Å
138E55Low72.9Confident144 Ų14496.3 Ų96.367%0.67351%0.509SS*.SBendtrans-80.569.1169.9-161167.5-157.800108.9E134 I135 D140E134-E138 PolarHBondContact O-N 3.35Å; I135-E138 CarbonylContact O-C 3.58Å; I135-E138 PolarHBondContact O-N 3.2Å; E138-D140 PolarHBondContact O-N 2.81Å
139E57.9Low73.7Confident81 Ų8196.4 Ų96.438%0.37951%0.51SS..  trans-41.6106.9169.2-86.6-169.5161.700108.1G137 K144 K147G137-E139 PolarHBondContact O-N 3.36Å; E139-K144 HydrophobicContact CB-CD 4.35Å; E139-K144 HydrophobicContact CB-CG 4.01Å; E139-K144 VanDerWaalsContact O-CE 3.27Å; E139-K144 WeakPolarHBondContact O-CE 3.48Å; E139-K144 VanDerWaalsContact OE2-CE 3.32Å; E139-K144 WeakPolarHBondContact OE2-CE 3.49Å; E139-K144 WeakPolarHBondContact OE2-CG 3.27Å; E139-K147 IonicContact OE1-NZ 2.76Å; E139-K147 PolarHBondContact OE1-NZ 2.99Å; E139-K147 IonicContact OE2-NZ 3.76Å
140D76.9Confident74.6Confident97 Ų9796 Ų9652%0.51950%0.501SS..  trans-43.8135.2-176.6-86.8-52.8000109.2E138 L142 N143 K144E138-D140 PolarHBondContact O-N 2.81Å; D140-L142 CarbonylContact O-C 3.25Å; D140-L142 PolarHBondContact O-N 3.08Å; D140-N143 HydrophobicContact CB-CB 4.27Å; D140-N143 WeakPolarHBondContact O-CA 3.32Å; D140-N143 PolarHBondContact O-N 2.82Å; D140-K144 PolarHBondContact O-N 2.9Å; D140-K144 VanDerWaalsContact O-N 3.08Å
141P83.9Confident75.5Confident105 Ų10595.8 Ų95.868%0.68250%0.502SS*.Hα-helixtrans-49.2-29.5176.5-28.334.3000112.9L145P141-L145 PolarHBondContact O-N 3.48Å; P141-L145 VanDerWaalsContact O-N 3.15Å
142L82Confident76.8Confident101 Ų10198.3 Ų98.353%0.52952%0.518SS..Hα-helixtrans-69.4-44.4174.7-172.462.8000113.3D140 K144 L145 F146D140-L142 CarbonylContact O-C 3.25Å; D140-L142 PolarHBondContact O-N 3.08Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 3.42Å; L142-L145 WeakPolarHBondContact O-CB 3.38Å; L142-L145 PolarHBondContact O-N 2.95Å; L142-F146 HydrophobicContact CD1-CD2 4.49Å; L142-F146 HydrophobicContact CD1-CE1 4.45Å; L142-F146 HydrophobicContact CD1-CE2 3.7Å; L142-F146 HydrophobicContact CD1-CZ 3.65Å; L142-F146 HydrophobicContact CD2-CE2 3.97Å; L142-F146 HydrophobicContact CD2-CZ 4.44Å; L142-F146 HydrophobicContact CG-CD2 4.12Å; L142-F146 HydrophobicContact CG-CE2 3.43Å; L142-F146 VanDerWaalsContact CG-CE2 3.43Å; L142-F146 HydrophobicContact CG-CZ 3.94Å; L142-F146 WeakPolarHBondContact O-CD2 3.42Å; L142-F146 PolarHBondContact O-N 3.33Å
143N83.7Confident77.8Confident86 Ų8696.9 Ų96.946%0.4651%0.507SS..Hα-helixtrans-66-36.9176.7-71.2-20.9000111.5D140 F146 K147D140-N143 HydrophobicContact CB-CB 4.27Å; D140-N143 WeakPolarHBondContact O-CA 3.32Å; D140-N143 PolarHBondContact O-N 2.82Å; N143-F146 PolarHBondContact O-N 2.97Å; N143-K147 WeakPolarHBondContact O-CB 3.41Å; N143-K147 PolarHBondContact O-N 3.12Å
144K88.4Confident79.1Confident96 Ų9697 Ų9742%0.41750%0.503SS..Hα-helixtrans-61.9-41.5172-70.4-178.3-176.2164.60112.4E139 D140 L142 K147 N148E139-K144 HydrophobicContact CB-CD 4.35Å; E139-K144 HydrophobicContact CB-CG 4.01Å; E139-K144 VanDerWaalsContact O-CE 3.27Å; E139-K144 WeakPolarHBondContact O-CE 3.48Å; E139-K144 VanDerWaalsContact OE2-CE 3.32Å; E139-K144 WeakPolarHBondContact OE2-CE 3.49Å; E139-K144 WeakPolarHBondContact OE2-CG 3.27Å; D140-K144 PolarHBondContact O-N 2.9Å; D140-K144 VanDerWaalsContact O-N 3.08Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 3.42Å; K144-K147 PolarHBondContact O-N 3Å; K144-N148 PolarHBondContact O-N 3.39Å
145L90Very high80.5Confident92 Ų9296.3 Ų96.348%0.48250%0.504SS..Hα-helixtrans-60-47.9174.8175.363.1000111.2P141 L142 K147 N148 I149P141-L145 PolarHBondContact O-N 3.48Å; P141-L145 VanDerWaalsContact O-N 3.15Å; L142-L145 WeakPolarHBondContact O-CB 3.38Å; L142-L145 PolarHBondContact O-N 2.95Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.06Å; L145-N148 PolarHBondContact O-N 2.87Å; L145-I149 HydrophobicContact CD1-CD1 4.01Å; L145-I149 HydrophobicContact CD1-CG1 4.31Å; L145-I149 HydrophobicContact CG-CD1 3.94Å; L145-I149 VanDerWaalsContact O-CG1 3.31Å; L145-I149 WeakPolarHBondContact O-CG1 3.11Å; L145-I149 PolarHBondContact O-N 3.37Å
146F89.5Confident82.1Confident70 Ų7096.1 Ų96.131%0.30750%0.5SS..Hα-helixtrans-64.3-37.7178.6-63.5-46.5000113L142 N143 I149 Y150 L173L142-F146 HydrophobicContact CD1-CD2 4.49Å; L142-F146 HydrophobicContact CD1-CE1 4.45Å; L142-F146 HydrophobicContact CD1-CE2 3.7Å; L142-F146 HydrophobicContact CD1-CZ 3.65Å; L142-F146 HydrophobicContact CD2-CE2 3.97Å; L142-F146 HydrophobicContact CD2-CZ 4.44Å; L142-F146 HydrophobicContact CG-CD2 4.12Å; L142-F146 HydrophobicContact CG-CE2 3.43Å; L142-F146 VanDerWaalsContact CG-CE2 3.43Å; L142-F146 HydrophobicContact CG-CZ 3.94Å; L142-F146 WeakPolarHBondContact O-CD2 3.42Å; L142-F146 PolarHBondContact O-N 3.33Å; N143-F146 PolarHBondContact O-N 2.97Å; F146-I149 HydrophobicContact CD1-CD1 4.47Å; F146-I149 PolarHBondContact O-N 2.96Å; F146-Y150 WeakPolarHBondContact O-CB 3.39Å; F146-Y150 PolarHBondContact O-N 3.3Å; F146-L173 HydrophobicContact CD1-CD2 3.31Å; F146-L173 HydrophobicContact CD2-CD2 4.41Å; F146-L173 HydrophobicContact CE1-CD2 3.35Å; F146-L173 HydrophobicContact CE2-CD2 4.4Å; F146-L173 HydrophobicContact CG-CD2 3.9Å; F146-L173 HydrophobicContact CZ-CD2 3.93Å
147K88.4Confident83.8Confident109 Ų10989.7 Ų89.747%0.47447%0.473SS..Hα-helixtrans-60.5-46.7173.8-170.9177.8-174.6177.20111.6E139 N143 K144 L145 Y150 E151E139-K147 IonicContact OE1-NZ 2.76Å; E139-K147 PolarHBondContact OE1-NZ 2.99Å; E139-K147 IonicContact OE2-NZ 3.76Å; N143-K147 WeakPolarHBondContact O-CB 3.41Å; N143-K147 PolarHBondContact O-N 3.12Å; K144-K147 PolarHBondContact O-N 3Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.06Å; K147-Y150 PolarHBondContact O-N 3.15Å; K147-E151 WeakPolarHBondContact O-CB 3.42Å; K147-E151 PolarHBondContact O-N 3.23Å
148N91.5Very high85.5Confident86 Ų8690 Ų9046%0.4645%0.454SS..Hα-helixtrans-64.7-40.8177.2-73.1-12.4000112.5K144 L145 Y150 E151 N152K144-N148 PolarHBondContact O-N 3.39Å; L145-N148 PolarHBondContact O-N 2.87Å; N148-Y150 VanDerWaalsContact C-N 3.34Å; N148-E151 PolarHBondContact O-N 3.01Å; N148-N152 WeakPolarHBondContact O-CB 3.19Å; N148-N152 PolarHBondContact O-N 3.47Å; N148-N152 PolarHBondContact O-ND2 3.3Å
149I90.3Very high87.3Confident61 Ų6190.7 Ų90.731%0.31345%0.45SS..Hα-helixtrans-62.3-45.1175.1-66.9166.3000109.5L145 F146 A153 M161 T175L145-I149 HydrophobicContact CD1-CD1 4.01Å; L145-I149 HydrophobicContact CD1-CG1 4.31Å; L145-I149 HydrophobicContact CG-CD1 3.94Å; L145-I149 VanDerWaalsContact O-CG1 3.31Å; L145-I149 WeakPolarHBondContact O-CG1 3.11Å; L145-I149 PolarHBondContact O-N 3.37Å; F146-I149 HydrophobicContact CD1-CD1 4.47Å; F146-I149 PolarHBondContact O-N 2.96Å; I149-A153 WeakPolarHBondContact O-CA 3.42Å; I149-A153 WeakPolarHBondContact O-CB 3.35Å; I149-A153 PolarHBondContact O-N 2.86Å; I149-M161 HydrophobicContact CB-CE 4.11Å; I149-M161 HydrophobicContact CG2-CE 3.56Å; I149-T175 HydrophobicContact CG2-CG2 4.3Å
150Y89.1Confident89Confident100 Ų10086.8 Ų86.839%0.39243%0.432SS..Hα-helixtrans-63.8-43.2178.7-174.9-93.9000112.4F146 K147 N148 R158 M161 I162F146-Y150 WeakPolarHBondContact O-CB 3.39Å; F146-Y150 PolarHBondContact O-N 3.3Å; K147-Y150 PolarHBondContact O-N 3.15Å; N148-Y150 VanDerWaalsContact C-N 3.34Å; Y150-R158 HydrophobicContact CD2-CB 4.15Å; Y150-R158 HydrophobicContact CD2-CG 3.86Å; Y150-R158 HydrophobicContact CE2-CB 3.67Å; Y150-R158 HydrophobicContact CE2-CG 3.72Å; Y150-R158 HydrophobicContact CG-CG 4.36Å; Y150-R158 WeakPolarHBondContact O-CG 3.24Å; Y150-R158 PolarHBondContact O-NE 3.48Å; Y150-M161 HydrophobicContact CD2-SD 3.87Å; Y150-M161 HydrophobicContact CG-SD 4.43Å; Y150-I162 HydrophobicContact CE2-CD1 3.79Å; Y150-I162 HydrophobicContact CE2-CG1 3.98Å
151E92.7Very high89.7Confident127 Ų12782.9 Ų82.959%0.59341%0.411SS*.Hα-helixtrans-64.3-46.9179.7-172.3173.1-175.400111.6K147 N148 R158K147-E151 WeakPolarHBondContact O-CB 3.42Å; K147-E151 PolarHBondContact O-N 3.23Å; N148-E151 PolarHBondContact O-N 3.01Å; E151-R158 PolarHBondContact O-NH2 2.91Å
152N91.4Very high90.1Very high136 Ų13681.9 Ų81.973%0.72740%0.399SS*.Hα-helixtrans-84.7-7.5-178.8-66.6-79.5000114.3N148N148-N152 WeakPolarHBondContact O-CB 3.19Å; N148-N152 PolarHBondContact O-N 3.47Å; N148-N152 PolarHBondContact O-ND2 3.3Å
153A87.6Confident90.6Very high15 Ų1579.5 Ų79.512%0.12439%0.385CS..SBendtrans-71.6154.2-178.900000113.2I149 T157 R158I149-A153 WeakPolarHBondContact O-CA 3.42Å; I149-A153 WeakPolarHBondContact O-CB 3.35Å; I149-A153 PolarHBondContact O-N 2.86Å; A153-T157 HydrophobicContact CB-CG2 3.59Å; A153-R158 HydrophobicContact CB-CG 3.91Å; A153-R158 PolarHBondContact O-NE 2.64Å; A153-R158 PolarHBondContact O-NH2 3.31Å; A153-R158 VanDerWaalsContact O-NH2 3.12Å
154S91.9Very high91Very high65 Ų6575.4 Ų75.446%0.45536%0.363SS..  trans-67.4158.3165.567.90000110.7E156 T157 R158S154-E156 PolarHBondContact O-N 3.27Å; S154-T157 PolarHBondContact O-N 3.45Å; S154-T157 PolarHBondContact OG-N 3.32Å; S154-T157 PolarHBondContact OG-OG1 3.07Å; S154-R158 PolarHBondContact O-N 2.88Å
155D91.5Very high91.1Very high103 Ų10376.4 Ų76.455%0.55137%0.367SS*.Hα-helixtrans-57.6-33.7179.2-71-30.3000112.9R158 R159D155-R158 PolarHBondContact O-N 2.85Å; D155-R158 IonicContact OD1-CZ 2.82Å; D155-R158 IonicContact OD1-NH1 2.86Å; D155-R158 PolarHBondContact OD1-NH1 2.91Å; D155-R159 WeakPolarHBondContact O-CB 3.48Å; D155-R159 WeakPolarHBondContact O-CG 3.31Å; D155-R159 PolarHBondContact O-N 3.22Å
156E92.3Very high91Very high111 Ų11176.7 Ų76.752%0.51937%0.373SS..Hα-helixtrans-64.5-45.7174.9-178.5171.5-158.700111.6S154 R159 A160 W177S154-E156 PolarHBondContact O-N 3.27Å; E156-R159 PolarHBondContact O-N 2.63Å; E156-A160 PolarHBondContact O-N 3.37Å; E156-W177 HydrophobicContact CG-CB 3.29Å; E156-W177 HydrophobicContact CG-CG 3.65Å; E156-W177 WeakPolarHBondContact OE1-CB 3.27Å; E156-W177 VanDerWaalsContact OE1-CD1 3.29Å
157T90.1Very high91Very high36 Ų3676.1 Ų76.122%0.22137%0.371CS..Hα-helixtrans-65.8-39176.3-64.60000112.1A153 S154 R159 A160 M161 T175A153-T157 HydrophobicContact CB-CG2 3.59Å; S154-T157 PolarHBondContact O-N 3.45Å; S154-T157 PolarHBondContact OG-N 3.32Å; S154-T157 PolarHBondContact OG-OG1 3.07Å; T157-R159 VanDerWaalsContact C-N 3.35Å; T157-R159 PolarHBondContact O-N 2.97Å; T157-A160 WeakPolarHBondContact O-CB 3.47Å; T157-A160 PolarHBondContact O-N 2.88Å; T157-M161 WeakPolarHBondContact O-CB 3.36Å; T157-M161 PolarHBondContact O-N 3.39Å; T157-T175 HydrophobicContact CG2-CG2 4.09Å
158R91.9Very high90.9Very high68 Ų6870.9 Ų70.926%0.25735%0.348SS..Hα-helixtrans-61.9-43174.1-70.2-176.3-165.7130.6-1.2111.7Y150 E151 A153 S154 D155 A160 M161 I162Y150-R158 HydrophobicContact CD2-CB 4.15Å; Y150-R158 HydrophobicContact CD2-CG 3.86Å; Y150-R158 HydrophobicContact CE2-CB 3.67Å; Y150-R158 HydrophobicContact CE2-CG 3.72Å; Y150-R158 HydrophobicContact CG-CG 4.36Å; Y150-R158 WeakPolarHBondContact O-CG 3.24Å; Y150-R158 PolarHBondContact O-NE 3.48Å; E151-R158 PolarHBondContact O-NH2 2.91Å; A153-R158 HydrophobicContact CB-CG 3.91Å; A153-R158 PolarHBondContact O-NE 2.64Å; A153-R158 PolarHBondContact O-NH2 3.31Å; A153-R158 VanDerWaalsContact O-NH2 3.12Å; S154-R158 PolarHBondContact O-N 2.88Å; D155-R158 PolarHBondContact O-N 2.85Å; D155-R158 IonicContact OD1-CZ 2.82Å; D155-R158 IonicContact OD1-NH1 2.86Å; D155-R158 PolarHBondContact OD1-NH1 2.91Å; R158-A160 VanDerWaalsContact C-N 3.33Å; R158-A160 PolarHBondContact O-N 3.12Å; R158-M161 PolarHBondContact O-N 2.84Å; R158-I162 WeakPolarHBondContact O-CG1 2.94Å; R158-I162 PolarHBondContact O-N 3.49Å
159R92.5Very high90.6Very high159 Ų15969.2 Ų69.260%0.635%0.346SS*.Hα-helixtrans-62.2-41.9175.7-72.5169.9-174.9-161.72.8111.2D155 E156 T157 M161 I162 K163 W177D155-R159 WeakPolarHBondContact O-CB 3.48Å; D155-R159 WeakPolarHBondContact O-CG 3.31Å; D155-R159 PolarHBondContact O-N 3.22Å; E156-R159 PolarHBondContact O-N 2.63Å; T157-R159 VanDerWaalsContact C-N 3.35Å; T157-R159 PolarHBondContact O-N 2.97Å; R159-M161 VanDerWaalsContact C-N 3.33Å; R159-M161 PolarHBondContact O-N 3.45Å; R159-I162 PolarHBondContact O-N 3.5Å; R159-K163 VanDerWaalsContact O-CB 3.27Å; R159-K163 WeakPolarHBondContact O-CB 3.41Å; R159-K163 PolarHBondContact O-N 3.46Å; R159-W177 VanDerWaalsContact C-CZ3 3.44Å; R159-W177 HydrophobicContact CB-CE3 3.8Å; R159-W177 HydrophobicContact CB-CH2 4Å; R159-W177 HydrophobicContact CB-CZ3 3.48Å; R159-W177 VanDerWaalsContact CB-CZ3 3.48Å; R159-W177 WeakPolarHBondContact O-CZ3 3.4Å
160A93.3Very high90.4Very high0 Ų068.1 Ų68.10%035%0.35CS..Hα-helixtrans-61.6-43.7177.100000112.1E156 T157 R158 K163 S164 S174 W177 V180E156-A160 PolarHBondContact O-N 3.37Å; T157-A160 WeakPolarHBondContact O-CB 3.47Å; T157-A160 PolarHBondContact O-N 2.88Å; R158-A160 VanDerWaalsContact C-N 3.33Å; R158-A160 PolarHBondContact O-N 3.12Å; A160-K163 PolarHBondContact O-N 3.32Å; A160-S164 WeakPolarHBondContact O-CB 3.12Å; A160-S164 PolarHBondContact O-N 3.34Å; A160-S164 PolarHBondContact O-OG 2.95Å; A160-S174 CarbonylContact C-O 3.22Å; A160-S174 VanDerWaalsContact C-O 3.22Å; A160-W177 HydrophobicContact CB-CB 4.17Å; A160-W177 HydrophobicContact CB-CE3 3.9Å; A160-V180 HydrophobicContact CB-CG2 3.63Å
161M92.7Very high90.2Very high14 Ų1465.7 Ų65.77%0.06935%0.346CS..Hα-helixtrans-63.2-48.6178.5-171.6-179.4-85.500111.6I149 Y150 T157 R158 R159 K163 S164 F165 L173 S174 T175I149-M161 HydrophobicContact CB-CE 4.11Å; I149-M161 HydrophobicContact CG2-CE 3.56Å; Y150-M161 HydrophobicContact CD2-SD 3.87Å; Y150-M161 HydrophobicContact CG-SD 4.43Å; T157-M161 WeakPolarHBondContact O-CB 3.36Å; T157-M161 PolarHBondContact O-N 3.39Å; R158-M161 PolarHBondContact O-N 2.84Å; R159-M161 VanDerWaalsContact C-N 3.33Å; R159-M161 PolarHBondContact O-N 3.45Å; M161-K163 PolarHBondContact O-N 2.87Å; M161-S164 PolarHBondContact O-OG 3.48Å; M161-S164 VanDerWaalsContact O-OG 3.04Å; M161-F165 VanDerWaalsContact O-CB 3.24Å; M161-F165 WeakPolarHBondContact O-CB 3.4Å; M161-F165 PolarHBondContact O-N 3.48Å; M161-L173 HydrophobicContact CE-CD2 4.03Å; M161-L173 HydrophobicContact CE-CG 4.5Å; M161-L173 HydrophobicContact CG-CD1 3.41Å; M161-L173 VanDerWaalsContact CG-CD1 3.41Å; M161-L173 HydrophobicContact CG-CD2 4.26Å; M161-L173 HydrophobicContact CG-CG 3.95Å; M161-L173 HydrophobicContact SD-CD1 4.46Å; M161-L173 HydrophobicContact SD-CD2 4.45Å; M161-S174 WeakPolarHBondContact CA-O 3.27Å; M161-S174 PolarHBondContact N-O 2.91Å; M161-T175 HydrophobicContact CE-CG2 4.26Å
162I92Very high89.9Confident84 Ų8461.6 Ų61.643%0.43133%0.329SS..Hα-helixtrans-63.9-43.7178.7-67.7165.6000111Y150 R158 R159 F165 T166Y150-I162 HydrophobicContact CE2-CD1 3.79Å; Y150-I162 HydrophobicContact CE2-CG1 3.98Å; R158-I162 WeakPolarHBondContact O-CG1 2.94Å; R158-I162 PolarHBondContact O-N 3.49Å; R159-I162 PolarHBondContact O-N 3.5Å; I162-F165 PolarHBondContact O-N 2.73Å; I162-T166 WeakPolarHBondContact O-CB 3.32Å; I162-T166 PolarHBondContact O-N 2.93Å; I162-T166 PolarHBondContact O-OG1 3.38Å
163K92.7Very high89.8Confident52 Ų5258.1 Ų58.123%0.22631%0.311CS..Hα-helixtrans-62.9-50.7-179.3-173.3-179.2179.3-1690111R159 A160 M161 F165 T166 E167 W177 V180 G183R159-K163 VanDerWaalsContact O-CB 3.27Å; R159-K163 WeakPolarHBondContact O-CB 3.41Å; R159-K163 PolarHBondContact O-N 3.46Å; A160-K163 PolarHBondContact O-N 3.32Å; M161-K163 PolarHBondContact O-N 2.87Å; K163-F165 PolarHBondContact O-N 3.04Å; K163-T166 PolarHBondContact O-N 3.26Å; K163-E167 VanDerWaalsContact CE-CD 3.47Å; K163-E167 WeakPolarHBondContact CE-OE1 3.47Å; K163-E167 HydrophobicContact CG-CG 4.31Å; K163-E167 IonicContact NZ-OE1 3.84Å; K163-E167 WeakPolarHBondContact O-CB 3.43Å; K163-E167 WeakPolarHBondContact O-CG 3.47Å; K163-E167 PolarHBondContact O-N 3.46Å; K163-W177 HydrophobicContact CB-CZ3 4.2Å; K163-W177 HydrophobicContact CD-CH2 4.25Å; K163-W177 HydrophobicContact CD-CZ3 4.08Å; K163-V180 HydrophobicContact CD-CG2 4.45Å; K163-V180 WeakPolarHBondContact CD-O 3.41Å; K163-V180 VanDerWaalsContact CE-O 3.26Å; K163-V180 WeakPolarHBondContact CE-O 3.35Å; K163-V180 PolarHBondContact NZ-O 3.32Å; K163-G183 PolarHBondContact NZ-O 3.46Å
164S91.4Very high89.9Confident0 Ų058.6 Ų58.60%031%0.313CS..Hα-helixtrans-61.2-44.2178.552.90000112.2A160 M161 T166 S168 V172 S174A160-S164 WeakPolarHBondContact O-CB 3.12Å; A160-S164 PolarHBondContact O-N 3.34Å; A160-S164 PolarHBondContact O-OG 2.95Å; M161-S164 PolarHBondContact O-OG 3.48Å; M161-S164 VanDerWaalsContact O-OG 3.04Å; S164-T166 PolarHBondContact O-N 2.97Å; S164-S168 WeakPolarHBondContact O-CB 3.46Å; S164-S168 PolarHBondContact O-N 2.99Å; S164-S168 PolarHBondContact O-OG 2.76Å; S164-V172 CarbonylContact C-O 3.33Å; S164-S174 PolarHBondContact OG-N 3.24Å; S164-S174 PolarHBondContact OG-O 2.98Å
165F91.3Very high89.7Confident117 Ų11758.9 Ų58.951%0.51331%0.312SS..Hα-helixtrans-60.8-44.9177.1-175.6-100.4000112.1M161 I162 K163 S168 A169 G170 L173M161-F165 VanDerWaalsContact O-CB 3.24Å; M161-F165 WeakPolarHBondContact O-CB 3.4Å; M161-F165 PolarHBondContact O-N 3.48Å; I162-F165 PolarHBondContact O-N 2.73Å; K163-F165 PolarHBondContact O-N 3.04Å; F165-S168 PolarHBondContact O-OG 2.98Å; F165-A169 PolarHBondContact O-N 2.82Å; F165-G170 VanDerWaalsContact CE2-CA 3.49Å; F165-G170 PolarHBondContact O-N 3.37Å; F165-L173 HydrophobicContact CB-CD1 4.01Å; F165-L173 HydrophobicContact CD2-CD1 4.33Å
166T87.7Confident89.6Confident98 Ų9857.4 Ų57.460%0.60130%0.304SS*.Hα-helixtrans-70.7-45.5-177.8-52.40000112I162 K163 S164 A169I162-T166 WeakPolarHBondContact O-CB 3.32Å; I162-T166 PolarHBondContact O-N 2.93Å; I162-T166 PolarHBondContact O-OG1 3.38Å; K163-T166 PolarHBondContact O-N 3.26Å; S164-T166 PolarHBondContact O-N 2.97Å; T166-A169 PolarHBondContact O-N 2.93Å
167E89.2Confident89.5Confident57 Ų5756.1 Ų56.127%0.26629%0.294SS..Hα-helixtrans-72.7-31-177.2-70.9-174.9174.900113K163 A169 K184 V185K163-E167 VanDerWaalsContact CE-CD 3.47Å; K163-E167 WeakPolarHBondContact CE-OE1 3.47Å; K163-E167 HydrophobicContact CG-CG 4.31Å; K163-E167 IonicContact NZ-OE1 3.84Å; K163-E167 WeakPolarHBondContact O-CB 3.43Å; K163-E167 WeakPolarHBondContact O-CG 3.47Å; K163-E167 PolarHBondContact O-N 3.46Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-K184 HydrophobicContact CB-CG 4.47Å; E167-K184 VanDerWaalsContact OE2-CA 3.26Å; E167-K184 WeakPolarHBondContact OE2-CA 3.18Å; E167-V185 HydrophobicContact CB-CB 4.2Å; E167-V185 PolarHBondContact OE2-N 2.96Å
168S86.8Confident89.3Confident0 Ų058.5 Ų58.50%031%0.312CS..THydrogen-bonded Turntrans-87.15.2176.874.10000113.8S164 F165 G170 T171 V172S164-S168 WeakPolarHBondContact O-CB 3.46Å; S164-S168 PolarHBondContact O-N 2.99Å; S164-S168 PolarHBondContact O-OG 2.76Å; F165-S168 PolarHBondContact O-OG 2.98Å; S168-G170 PolarHBondContact O-N 3.18Å; S168-T171 WeakPolarHBondContact O-CB 3.49Å; S168-T171 WeakPolarHBondContact O-CG2 3.47Å; S168-T171 PolarHBondContact O-N 2.91Å; S168-T171 VanDerWaalsContact O-N 3.07Å; S168-T171 PolarHBondContact O-OG1 2.9Å; S168-T171 PolarHBondContact OG-N 3.04Å; S168-V172 PolarHBondContact OG-N 3.49Å; S168-V172 PolarHBondContact OG-O 3.23Å
169A84.9Confident89Confident50 Ų5061.5 Ų61.541%0.41333%0.329SS..THydrogen-bonded Turntrans52.437.2-17500000113.3F165 T166 E167 I187 Y195F165-A169 PolarHBondContact O-N 2.82Å; T166-A169 PolarHBondContact O-N 2.93Å; E167-A169 VanDerWaalsContact C-N 3.31Å; A169-I187 HydrophobicContact CB-CD1 4.35Å; A169-Y195 HydrophobicContact CB-CE2 3.77Å
170G85.1Confident88.8Confident38 Ų3854.2 Ų54.239%0.39230%0.302SS..THydrogen-bonded Turntrans80.98.2179.900000115.6F165 S168F165-G170 VanDerWaalsContact CE2-CA 3.49Å; F165-G170 PolarHBondContact O-N 3.37Å; S168-G170 PolarHBondContact O-N 3.18Å
171T84.6Confident88.3Confident50 Ų5055.7 Ų55.731%0.30732%0.318SS..SBendtrans-92.2-22-177.263.60000114.5S168 I187 R188S168-T171 WeakPolarHBondContact O-CB 3.49Å; S168-T171 WeakPolarHBondContact O-CG2 3.47Å; S168-T171 PolarHBondContact O-N 2.91Å; S168-T171 VanDerWaalsContact O-N 3.07Å; S168-T171 PolarHBondContact O-OG1 2.9Å; S168-T171 PolarHBondContact OG-N 3.04Å; T171-I187 HydrophobicContact CG2-CG2 4.02Å; T171-R188 VanDerWaalsContact CB-O 3.27Å; T171-R188 WeakPolarHBondContact CB-O 2.86Å; T171-R188 PolarHBondContact OG1-N 3.24Å
172V87.1Confident88Confident40 Ų4059.5 Ų59.524%0.24235%0.352CS..  trans-134.1132.3-177.7-177.50000110.2S164 S168 V185 R188S164-V172 CarbonylContact C-O 3.33Å; S168-V172 PolarHBondContact OG-N 3.49Å; S168-V172 PolarHBondContact OG-O 3.23Å; V172-V185 HydrophobicContact CB-CG1 3.92Å; V172-V185 HydrophobicContact CG1-CG1 3.85Å; V172-R188 HydrophobicContact CG2-CB 3.87Å; V172-R188 HydrophobicContact CG2-CG 4.16Å
173L89Confident87.7Confident64 Ų6457.3 Ų57.334%0.33535%0.35SS..  trans-122.6122.1176.3-160.571.1000110.2F146 M161 F165F146-L173 HydrophobicContact CD1-CD2 3.31Å; F146-L173 HydrophobicContact CD2-CD2 4.41Å; F146-L173 HydrophobicContact CE1-CD2 3.35Å; F146-L173 HydrophobicContact CE2-CD2 4.4Å; F146-L173 HydrophobicContact CG-CD2 3.9Å; F146-L173 HydrophobicContact CZ-CD2 3.93Å; M161-L173 HydrophobicContact CE-CD2 4.03Å; M161-L173 HydrophobicContact CE-CG 4.5Å; M161-L173 HydrophobicContact CG-CD1 3.41Å; M161-L173 VanDerWaalsContact CG-CD1 3.41Å; M161-L173 HydrophobicContact CG-CD2 4.26Å; M161-L173 HydrophobicContact CG-CG 3.95Å; M161-L173 HydrophobicContact SD-CD1 4.46Å; M161-L173 HydrophobicContact SD-CD2 4.45Å; F165-L173 HydrophobicContact CB-CD1 4.01Å; F165-L173 HydrophobicContact CD2-CD1 4.33Å
174S89.6Confident87.3Confident24 Ų2462.7 Ų62.717%0.16837%0.373CS..  trans-129.2141.5175.7175.80000111.1A160 M161 S164 N176A160-S174 CarbonylContact C-O 3.22Å; A160-S174 VanDerWaalsContact C-O 3.22Å; M161-S174 WeakPolarHBondContact CA-O 3.27Å; M161-S174 PolarHBondContact N-O 2.91Å; S164-S174 PolarHBondContact OG-N 3.24Å; S164-S174 PolarHBondContact OG-O 2.98Å; S174-N176 PolarHBondContact OG-N 3.5Å
175T88.2Confident86.9Confident71 Ų7163.6 Ų63.644%0.43638%0.379SS..  trans-98.4-5.3179.8540000112.9I149 T157 M161I149-T175 HydrophobicContact CG2-CG2 4.3Å; T157-T175 HydrophobicContact CG2-CG2 4.09Å; M161-T175 HydrophobicContact CE-CG2 4.26Å
176N89.5Confident86.4Confident72 Ų7264.6 Ų64.639%0.38539%0.385SS..  trans-99.5108.3-173.3-171.6-5.9000111.8S174 S178 E179 V180S174-N176 PolarHBondContact OG-N 3.5Å; N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 VanDerWaalsContact CG-OG 3.29Å; N176-S178 PolarHBondContact ND2-OG 3.39Å; N176-S178 PolarHBondContact O-N 3.26Å; N176-S178 PolarHBondContact OD1-N 3.31Å; N176-S178 VanDerWaalsContact OD1-N 3.07Å; N176-S178 PolarHBondContact OD1-OG 2.9Å; N176-E179 HydrophobicContact CB-CB 4.35Å; N176-E179 PolarHBondContact O-N 2.95Å; N176-V180 WeakPolarHBondContact O-CG2 3.49Å; N176-V180 PolarHBondContact O-N 3.49Å
177W89Confident86Confident85 Ų8562.6 Ų62.632%0.32237%0.37SS..Hα-helixtrans-66.9-30.5179.5-172.7-108000113.7E156 R159 A160 K163 E179 V180 G181E156-W177 HydrophobicContact CG-CB 3.29Å; E156-W177 HydrophobicContact CG-CG 3.65Å; E156-W177 WeakPolarHBondContact OE1-CB 3.27Å; E156-W177 VanDerWaalsContact OE1-CD1 3.29Å; R159-W177 VanDerWaalsContact C-CZ3 3.44Å; R159-W177 HydrophobicContact CB-CE3 3.8Å; R159-W177 HydrophobicContact CB-CH2 4Å; R159-W177 HydrophobicContact CB-CZ3 3.48Å; R159-W177 VanDerWaalsContact CB-CZ3 3.48Å; R159-W177 WeakPolarHBondContact O-CZ3 3.4Å; A160-W177 HydrophobicContact CB-CB 4.17Å; A160-W177 HydrophobicContact CB-CE3 3.9Å; K163-W177 HydrophobicContact CB-CZ3 4.2Å; K163-W177 HydrophobicContact CD-CH2 4.25Å; K163-W177 HydrophobicContact CD-CZ3 4.08Å; W177-E179 PolarHBondContact O-N 3.2Å; W177-V180 HydrophobicContact CE3-CG2 4Å; W177-V180 HydrophobicContact CZ3-CG2 4.47Å; W177-G181 WeakPolarHBondContact O-CA 3.26Å; W177-G181 PolarHBondContact O-N 3.42Å
178S87.9Confident85.5Confident85 Ų8568 Ų6859%0.59439%0.388SS*.Hα-helixtrans-63-28.9178.364.80000112.7N176N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 VanDerWaalsContact CG-OG 3.29Å; N176-S178 PolarHBondContact ND2-OG 3.39Å; N176-S178 PolarHBondContact O-N 3.26Å; N176-S178 PolarHBondContact OD1-N 3.31Å; N176-S178 VanDerWaalsContact OD1-N 3.07Å; N176-S178 PolarHBondContact OD1-OG 2.9Å
179E85Confident85.2Confident132 Ų13270.1 Ų70.162%0.61740%0.401SS*.Hα-helixtrans-87.5-53.4-179.8-173.7177.3178.700111.3N176 W177 G181N176-E179 HydrophobicContact CB-CB 4.35Å; N176-E179 PolarHBondContact O-N 2.95Å; W177-E179 PolarHBondContact O-N 3.2Å; E179-G181 VanDerWaalsContact C-N 3.33Å; E179-G181 PolarHBondContact O-N 2.75Å
180V87Confident84.9Confident5 Ų571.9 Ų71.93%0.0341%0.409CS..Hα-helixtrans-76.7-21.5-178.1-52.50000112.6A160 K163 N176 W177 V185A160-V180 HydrophobicContact CB-CG2 3.63Å; K163-V180 HydrophobicContact CD-CG2 4.45Å; K163-V180 WeakPolarHBondContact CD-O 3.41Å; K163-V180 VanDerWaalsContact CE-O 3.26Å; K163-V180 WeakPolarHBondContact CE-O 3.35Å; K163-V180 PolarHBondContact NZ-O 3.32Å; N176-V180 WeakPolarHBondContact O-CG2 3.49Å; N176-V180 PolarHBondContact O-N 3.49Å; W177-V180 HydrophobicContact CE3-CG2 4Å; W177-V180 HydrophobicContact CZ3-CG2 4.47Å; V180-V185 HydrophobicContact CB-CG2 4.02Å; V180-V185 HydrophobicContact CG1-CG2 3.87Å
181G84.3Confident84.5Confident32 Ų3278.4 Ų78.433%0.3344%0.435SS..Hα-helixtrans-72.6-33.1177.400000112.7W177 E179W177-G181 WeakPolarHBondContact O-CA 3.26Å; W177-G181 PolarHBondContact O-N 3.42Å; E179-G181 VanDerWaalsContact C-N 3.33Å; E179-G181 PolarHBondContact O-N 2.75Å
182A86.7Confident84.3Confident94 Ų9479.9 Ų79.978%0.77746%0.46SS*.Hα-helixtrans-74.5-26.4-176.100000113.8
183G85Confident83.9Confident38 Ų3883.8 Ų83.839%0.39248%0.477SS..SBendtrans-150-174.2-174.100000114.1K163K163-G183 PolarHBondContact NZ-O 3.46Å
184K82.9Confident83.4Confident164 Ų16488.4 Ų88.471%0.71350%0.497SS*.PPolyproline II helixtrans-87.8136.8173-174.8178.4179.9-175.60109.7E167E167-K184 HydrophobicContact CB-CG 4.47Å; E167-K184 VanDerWaalsContact OE2-CA 3.26Å; E167-K184 WeakPolarHBondContact OE2-CA 3.18Å
185V83.2Confident82.7Confident20 Ų2093.3 Ų93.312%0.12151%0.513CS..PPolyproline II helixtrans-79127174.1-173.70000110.2E167 V172 V180E167-V185 HydrophobicContact CB-CB 4.2Å; E167-V185 PolarHBondContact OE2-N 2.96Å; V172-V185 HydrophobicContact CB-CG1 3.92Å; V172-V185 HydrophobicContact CG1-CG1 3.85Å; V180-V185 HydrophobicContact CB-CG2 4.02Å; V180-V185 HydrophobicContact CG1-CG2 3.87Å
186E80.9Confident82.3Confident137 Ų13796.5 Ų96.564%0.6452%0.521SS*.PPolyproline II helixtrans-72.4139.1178-65-179.9165.300111.2R188E186-R188 PolarHBondContact O-N 2.69Å
187I81Confident81.8Confident57 Ų57101.3 Ų101.329%0.29254%0.538SS..PPolyproline II helixtrans-73.2118.8173.9-57.4171000107.6A169 T171 P189 Y195A169-I187 HydrophobicContact CB-CD1 4.35Å; T171-I187 HydrophobicContact CG2-CG2 4.02Å; I187-P189 WeakPolarHBondContact O-CD 3.43Å; I187-Y195 HydrophobicContact CD1-CD1 4.09Å; I187-Y195 HydrophobicContact CD1-CD2 4.35Å; I187-Y195 HydrophobicContact CD1-CE1 3.93Å; I187-Y195 HydrophobicContact CD1-CE2 4.2Å; I187-Y195 HydrophobicContact CD1-CG 4.29Å; I187-Y195 HydrophobicContact CG2-CD2 3.95Å; I187-Y195 HydrophobicContact CG2-CG 4.08Å
188R77Confident81.1Confident171 Ų171106.6 Ų106.665%0.64556%0.56SS**  trans-118.483.4177.4-68.1-170.1176.2-164.80.2109.8T171 V172 E186T171-R188 VanDerWaalsContact CB-O 3.27Å; T171-R188 WeakPolarHBondContact CB-O 2.86Å; T171-R188 PolarHBondContact OG1-N 3.24Å; V172-R188 HydrophobicContact CG2-CB 3.87Å; V172-R188 HydrophobicContact CG2-CG 4.16Å; E186-R188 PolarHBondContact O-N 2.69Å
189P80.8Confident80.1Confident43 Ų43111.3 Ų111.328%0.27957%0.572SS.*PPolyproline II helixtrans-59.4152.9174.928.3-33.3000110.2I187 M193I187-P189 WeakPolarHBondContact O-CD 3.43Å; P189-M193 HydrophobicContact CB-CB 3.94Å; P189-M193 WeakPolarHBondContact CB-O 3.26Å; P189-M193 WeakPolarHBondContact CG-O 3.42Å
190P78.3Confident78.7Confident87 Ų87116.5 Ų116.557%0.56560%0.601SS**PPolyproline II helixtrans-53.7150172.6-24.734000111.9G192 M193P190-G192 PolarHBondContact O-N 2.63Å; P190-G192 VanDerWaalsContact O-N 3.12Å; P190-M193 HydrophobicContact CB-CE 4.4Å; P190-M193 PolarHBondContact O-N 3.07Å
191D77.2Confident78.3Confident175 Ų175122.1 Ų122.194%0.93663%0.63SS**THydrogen-bonded Turntrans-50.5120.5-178.1-75.8-18.4000111.3
192G79.7Confident78Confident82 Ų82126.8 Ų126.885%0.84565%0.646SS**THydrogen-bonded Turntrans98.9-5.6-178.600000116.1P190P190-G192 PolarHBondContact O-N 2.63Å; P190-G192 VanDerWaalsContact O-N 3.12Å
193M79.5Confident77.5Confident122 Ų122128.6 Ų128.660%0.60164%0.638SS**  trans-100.8139.4173.9-113.672.172.200112.1P189 P190P189-M193 HydrophobicContact CB-CB 3.94Å; P189-M193 WeakPolarHBondContact CB-O 3.26Å; P189-M193 WeakPolarHBondContact CG-O 3.42Å; P190-M193 HydrophobicContact CB-CE 4.4Å; P190-M193 PolarHBondContact O-N 3.07Å
194E78.2Confident77.1Confident161 Ų161133.9 Ų133.975%0.75265%0.653SS**  trans-106.5129.5172.2-69.4-178.8175.800110.6K196E194-K196 PolarHBondContact O-N 3.25Å
195Y75Confident76.7Confident127 Ų127132.1 Ų132.150%0.49865%0.649SS.*  trans-73.4115.2173.3-177.9-94.4000110.4A169 I187 K197A169-Y195 HydrophobicContact CB-CE2 3.77Å; I187-Y195 HydrophobicContact CD1-CD1 4.09Å; I187-Y195 HydrophobicContact CD1-CD2 4.35Å; I187-Y195 HydrophobicContact CD1-CE1 3.93Å; I187-Y195 HydrophobicContact CD1-CE2 4.2Å; I187-Y195 HydrophobicContact CD1-CG 4.29Å; I187-Y195 HydrophobicContact CG2-CD2 3.95Å; I187-Y195 HydrophobicContact CG2-CG 4.08Å; Y195-K197 HydrophobicContact CE1-CB 4.12Å
196K81Confident76.2Confident138 Ų138139.5 Ų139.560%0.668%0.684SS**PPolyproline II helixtrans-103.7118171.8-69.4-174.3178.5177.40110.1E194 Y198E194-K196 PolarHBondContact O-N 3.25Å; K196-Y198 HydrophobicContact CB-CE2 4.28Å; K196-Y198 WeakPolarHBondContact O-CD2 3.19Å; K196-Y198 PolarHBondContact O-N 3.3Å
197K77.9Confident75.9Confident173 Ų173139.7 Ų139.775%0.75269%0.688SS**PPolyproline II helixtrans-75.9117.1171.2-170.5-176.2178.4-167.70108.3Y195Y195-K197 HydrophobicContact CE1-CB 4.12Å
198Y74.5Confident75.5Confident196 Ų196146.1 Ų146.177%0.76972%0.718SS**PPolyproline II helixtrans-85.2131.4169.3-66.4-94.2000108.6K196K196-Y198 HydrophobicContact CB-CE2 4.28Å; K196-Y198 WeakPolarHBondContact O-CD2 3.19Å; K196-Y198 PolarHBondContact O-N 3.3Å
199E66.8Low75.4Confident183 Ų183144 Ų14486%0.85572%0.724SS**PPolyproline II helixtrans-78.3126.9164.8-70.2-179.9168.200107.5
200I55.9Low74.9Confident241 Ų241153.2 Ų153.2100%1.23676%0.764SS**  trans-84.40164.5-62.6171.1000107.1

Retrieved 200 of 200 residues in 40.4 ms (Link to these results)

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