A0A077Z9Z3_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z9Z3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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
1M37.8Very low51.8Low187 Ų187126.2 Ų126.292%0.92166%0.657SS**  0101.70-157.7-173.9-67.100108.3Y3 S90M1-Y3 HydrophobicContact CG-CD2 4.03Å; M1-S90 WeakPolarHBondContact CA-OG 3.41Å; M1-S90 PolarHBondContact N-OG 2.99Å
2I44.9Very low52.8Low88 Ų88123.7 Ų123.745%0.45165%0.645SS.*  trans-108.173.7173.6-47.8175.3000107.3F28I2-F28 HydrophobicContact CD1-CE1 4.37Å; I2-F28 HydrophobicContact CD1-CZ 3.85Å
3Y51.2Low53.9Low110 Ų110116.8 Ų116.843%0.43161%0.613SS.*  trans-123.6106.2164.4-62.4-67.9000106.5M1 E5 T57M1-Y3 HydrophobicContact CG-CD2 4.03Å; Y3-E5 PolarHBondContact O-N 2.99Å; Y3-T57 HydrophobicContact CD1-CG2 3.64Å; Y3-T57 HydrophobicContact CE1-CG2 3.65Å
4E47Very low54.8Low96 Ų96119.9 Ų119.945%0.44963%0.631SS.*  trans-80.5109.7170.3-153.5175179.700106.5T6 R26E4-T6 PolarHBondContact O-N 2.99Å; E4-R26 IonicContact OE1-CZ 3.31Å; E4-R26 IonicContact OE1-NE 3.35Å; E4-R26 PolarHBondContact OE1-NE 2.05Å; E4-R26 IonicContact OE1-NH2 2.8Å; E4-R26 PolarHBondContact OE1-NH2 3.36Å; E4-R26 WeakPolarHBondContact OE2-CD 3.24Å; E4-R26 VanDerWaalsContact OE2-CG 3.27Å; E4-R26 WeakPolarHBondContact OE2-CG 3.03Å; E4-R26 IonicContact OE2-CZ 3.86Å; E4-R26 IonicContact OE2-NE 3.65Å; E4-R26 PolarHBondContact OE2-NE 3.11Å
5E50.1Low55.3Low156 Ų156119.9 Ų119.973%0.72963%0.626SS**  trans-84.3111.8-178.6-173.8163.7-137.500109.8Y3 K55Y3-E5 PolarHBondContact O-N 2.99Å; E5-K55 IonicContact OE1-NZ 3.41Å
6T52.3Low55.3Low92 Ų92115 Ų11556%0.56461%0.609SS**  trans-90.9121.5171.750.50000110.1E4 H8E4-T6 PolarHBondContact O-N 2.99Å; T6-H8 PolarHBondContact O-N 2.95Å; T6-H8 VanDerWaalsContact O-N 3.15Å
7S54Low55.4Low114 Ų114116.2 Ų116.280%0.79762%0.622SS**  trans-71.82.2-173.3-174.50000115.4R9S7-R9 PolarHBondContact O-N 2.83Å
8H57Low55.3Low174 Ų174115.2 Ų115.281%0.80662%0.62SS**  trans-82.887.4177.6-78.49.2000110.9T6 P10T6-H8 PolarHBondContact O-N 2.95Å; T6-H8 VanDerWaalsContact O-N 3.15Å; H8-P10 WeakPolarHBondContact O-CD 3.37Å
9R56.1Low55.5Low227 Ų227111.4 Ų111.486%0.85761%0.61SS**  trans-69112.3163.5-81.6-178.4176.5170.4-1108.6S7 G11S7-R9 PolarHBondContact O-N 2.83Å; R9-G11 PolarHBondContact O-N 3.21Å
10P56.5Low55.6Low68 Ų68111.5 Ų111.544%0.44261%0.61SS.*  trans-63129.3164.425-28.9000108.2H8 N12H8-P10 WeakPolarHBondContact O-CD 3.37Å; P10-N12 PolarHBondContact O-N 2.85Å
11G63.2Low56Low76 Ų76114.3 Ų114.378%0.78462%0.619SS**SBendtrans-56.8-24.7-17000000114.8R9R9-G11 PolarHBondContact O-N 3.21Å
12N63.1Low57.9Low96 Ų96111.7 Ų111.751%0.51361%0.608SS.*  trans-136.593.9178.4-73.2-20.5000111.1P10 N14 E15P10-N12 PolarHBondContact O-N 2.85Å; N12-N14 PolarHBondContact O-N 3.28Å; N12-E15 HydrophobicContact CB-CB 4.04Å; N12-E15 HydrophobicContact CB-CG 4.04Å; N12-E15 WeakPolarHBondContact CB-OE2 3.23Å; N12-E15 PolarHBondContact ND2-OE2 3.17Å; N12-E15 PolarHBondContact O-N 2.83Å; N12-E15 VanDerWaalsContact O-N 3.15Å
13C67.8Low59.7Low34 Ų34109.1 Ų109.123%0.2360%0.595CS.*G310 helixtrans-65.9-24.2177-43.70000112.5E15 A16 C54C13-E15 VanDerWaalsContact C-N 3.28Å; C13-E15 PolarHBondContact O-N 2.87Å; C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 2.96Å; C13-C54 HydrophobicContact CB-CB 3.59Å; C13-C54 WeakPolarHBondContact CB-SG 3.3Å; C13-C54 WeakPolarHBondContact SG-CB 3.48Å; C13-C54 CovalentContact SG-SG 1.98Å; C13-C54 PolarHBondContact SG-SG 2.98Å
14N66.4Low61.6Low161 Ų161111 Ų11186%0.86160%0.602SS**G310 helixtrans-70.9-25.3176.7-62.6-18.8000112.2N12N12-N14 PolarHBondContact O-N 3.28Å
15E62.4Low63.6Low119 Ų119106.6 Ų106.656%0.55658%0.581SS**G310 helixtrans-94.25.7179.3-68.9178.7158.600112.4N12 C13 T17 V18N12-E15 HydrophobicContact CB-CB 4.04Å; N12-E15 HydrophobicContact CB-CG 4.04Å; N12-E15 WeakPolarHBondContact CB-OE2 3.23Å; N12-E15 PolarHBondContact ND2-OE2 3.17Å; N12-E15 PolarHBondContact O-N 2.83Å; N12-E15 VanDerWaalsContact O-N 3.15Å; C13-E15 VanDerWaalsContact C-N 3.28Å; C13-E15 PolarHBondContact O-N 2.87Å; E15-T17 PolarHBondContact O-N 3.04Å; E15-T17 PolarHBondContact O-OG1 2.67Å; E15-V18 WeakPolarHBondContact O-CG2 3.49Å; E15-V18 PolarHBondContact O-N 2.99Å
16A55.2Low65.6Low42 Ų42105 Ų10535%0.34757%0.568SS.*THydrogen-bonded Turntrans-6944.4172.400000112.3C13 F49C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 2.96Å; A16-F49 HydrophobicContact CB-CE1 4.35Å; A16-F49 HydrophobicContact CB-CZ 4.39Å
17T56.6Low67.4Low136 Ų136100.9 Ų100.983%0.83454%0.543SS*.THydrogen-bonded Turntrans-74-3.314119.90000111.6E15 G19E15-T17 PolarHBondContact O-N 3.04Å; E15-T17 PolarHBondContact O-OG1 2.67Å; T17-G19 VanDerWaalsContact C-N 3.26Å; T17-G19 PolarHBondContact O-N 3.23Å
18V53.2Low69.1Low98 Ų9899.6 Ų99.659%0.59452%0.523SS*.SBendtrans-64.987.4172.7-168.80000109.7E15 L22E15-V18 WeakPolarHBondContact O-CG2 3.49Å; E15-V18 PolarHBondContact O-N 2.99Å; V18-L22 HydrophobicContact CG1-CD1 3.84Å
19G58.8Low70.7Confident42 Ų4297.8 Ų97.843%0.43352%0.52SS..  trans17.9121.9172.300000117.6T17 Q21 L22T17-G19 VanDerWaalsContact C-N 3.26Å; T17-G19 PolarHBondContact O-N 3.23Å; G19-Q21 PolarHBondContact O-N 2.88Å; G19-L22 PolarHBondContact O-N 2.68Å
20D58.2Low72.5Confident113 Ų11394.6 Ų94.660%0.60451%0.507SS*.G310 helixtrans-40.9-21.8172.1-59.2-29.4000114.9L22 L23 Y34D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 2.89Å; D20-L23 PolarHBondContact O-N 2.79Å; D20-Y34 HydrophobicContact CB-CD1 4.34Å
21Q64.6Low74.2Confident171 Ų17195.9 Ų95.980%0.79951%0.514SS*.G310 helixtrans-60.3-23.2176.5-61.9-172.86.200115.5G19G19-Q21 PolarHBondContact O-N 2.88Å
22L77.8Confident75.7Confident132 Ų13294.6 Ų94.669%0.69149%0.486SS*.G310 helixtrans-94.9-18.9-177.9-80.7161.1000114.2V18 G19 D20 R24V18-L22 HydrophobicContact CG1-CD1 3.84Å; G19-L22 PolarHBondContact O-N 2.68Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 2.89Å; L22-R24 PolarHBondContact O-N 3.25Å
23L82.5Confident77.1Confident35 Ų3594.5 Ų94.518%0.18349%0.485CS..  trans-79114.7-178.4-62.7179.3000109.6D20 Y34 F49 V56D20-L23 PolarHBondContact O-N 2.79Å; L23-Y34 HydrophobicContact CB-CG 4.41Å; L23-Y34 PolarHBondContact O-N 3.14Å; L23-F49 HydrophobicContact CD1-CB 4.06Å; L23-F49 HydrophobicContact CD1-CD1 4.21Å; L23-F49 HydrophobicContact CD1-CD2 4.41Å; L23-F49 HydrophobicContact CD1-CG 3.99Å; L23-F49 HydrophobicContact CD2-CD2 4.25Å; L23-F49 HydrophobicContact CD2-CE2 4.42Å; L23-V56 HydrophobicContact CB-CG2 3.98Å; L23-V56 HydrophobicContact CD2-CG2 3.67Å; L23-V56 HydrophobicContact CG-CG2 4.31Å
24R89.8Confident78.1Confident149 Ų14996.5 Ų96.556%0.56249%0.489SS*.EExtended strand (participates in β ladder)trans-132.2134.6-179.7-66.1-177.2175.5169.72.8111.9L22 Y32 N33 V56L22-R24 PolarHBondContact O-N 3.25Å; R24-Y32 CarbonylContact C-O 3.56Å; R24-Y32 WeakPolarHBondContact CA-O 3.37Å; R24-Y32 WeakPolarHBondContact CB-O 3.36Å; R24-N33 PolarHBondContact NE-OD1 2.75Å; R24-V56 WeakPolarHBondContact O-CG1 3.36Å
25C90.7Very high79.1Confident3 Ų393.5 Ų93.52%0.0247%0.473CS..EExtended strand (participates in β ladder)trans-88137.5169.8-70.60000110.6T31 Y32 C47 V56 T57 M58C25-T31 CarbonylContact O-C 3.57Å; C25-T31 VanDerWaalsContact O-CA 3.28Å; C25-T31 WeakPolarHBondContact O-CA 3.44Å; C25-Y32 PolarHBondContact N-O 2.85Å; C25-Y32 PolarHBondContact O-N 3.39Å; C25-C47 HydrophobicContact CB-CB 3.83Å; C25-C47 WeakPolarHBondContact CB-SG 3.42Å; C25-C47 PolarHBondContact N-SG 3.49Å; C25-C47 VanDerWaalsContact N-SG 3.37Å; C25-C47 WeakPolarHBondContact SG-CA 3.28Å; C25-C47 WeakPolarHBondContact SG-CB 3.39Å; C25-C47 CovalentContact SG-SG 2.03Å; C25-C47 PolarHBondContact SG-SG 3.4Å; C25-V56 HydrophobicContact CB-CG1 4.2Å; C25-V56 WeakPolarHBondContact SG-CG1 3.01Å; C25-T57 VanDerWaalsContact SG-C 3.58Å; C25-T57 PolarHBondContact SG-O 2.72Å; C25-T57 VanDerWaalsContact SG-O 3.41Å; C25-M58 HydrophobicContact CB-CE 4.08Å; C25-M58 HydrophobicContact CB-CG 3.6Å; C25-M58 HydrophobicContact CB-SD 3.67Å
26R90.8Very high80.6Confident122 Ų12289.1 Ų89.146%0.4646%0.457SS..EExtended strand (participates in β ladder)trans-95.4128.2165.3-167.8174.5166151.71.9109.5E4 R30E4-R26 IonicContact OE1-CZ 3.31Å; E4-R26 IonicContact OE1-NE 3.35Å; E4-R26 PolarHBondContact OE1-NE 2.05Å; E4-R26 IonicContact OE1-NH2 2.8Å; E4-R26 PolarHBondContact OE1-NH2 3.36Å; E4-R26 WeakPolarHBondContact OE2-CD 3.24Å; E4-R26 VanDerWaalsContact OE2-CG 3.27Å; E4-R26 WeakPolarHBondContact OE2-CG 3.03Å; E4-R26 IonicContact OE2-CZ 3.86Å; E4-R26 IonicContact OE2-NE 3.65Å; E4-R26 PolarHBondContact OE2-NE 3.11Å; R26-R30 CarbonylContact C-O 3.45Å; R26-R30 WeakPolarHBondContact CA-O 3.01Å
27F91.4Very high82.5Confident7 Ų793 Ų933%0.03147%0.466CS..EExtended strand (participates in β ladder)trans-152122.7-176.7-165.4-121000110.6N29 R30 Y32 H40 Y45 M58F27-N29 VanDerWaalsContact C-N 3.35Å; F27-N29 PolarHBondContact O-N 3.44Å; F27-R30 PolarHBondContact N-O 3.06Å; F27-R30 PolarHBondContact O-N 3.09Å; F27-Y32 HydrophobicContact CB-CD2 3.9Å; F27-Y32 HydrophobicContact CB-CE2 3.72Å; F27-Y32 HydrophobicContact CD1-CE2 4.34Å; F27-H40 HydrophobicContact CE1-CB 4.2Å; F27-Y45 AromaticContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CE2 4.2Å; F27-Y45 HydrophobicContact CE1-CG 4.01Å; F27-Y45 HydrophobicContact CE2-CD1 4.09Å; F27-Y45 HydrophobicContact CE2-CE1 4.19Å; F27-Y45 HydrophobicContact CE2-CG 4.34Å; F27-Y45 AromaticContact CZ-CD1 3.71Å; F27-Y45 HydrophobicContact CZ-CD1 3.71Å; F27-Y45 AromaticContact CZ-CD2 3.56Å; F27-Y45 HydrophobicContact CZ-CD2 3.56Å; F27-Y45 AromaticContact CZ-CE1 3.81Å; F27-Y45 HydrophobicContact CZ-CE1 3.81Å; F27-Y45 AromaticContact CZ-CE2 3.66Å; F27-Y45 HydrophobicContact CZ-CE2 3.66Å; F27-Y45 AromaticContact CZ-CG 3.59Å; F27-Y45 HydrophobicContact CZ-CG 3.59Å; F27-Y45 AromaticContact CZ-CZ 3.79Å; F27-M58 HydrophobicContact CB-CG 3.69Å; F27-M58 HydrophobicContact CB-SD 3.56Å; F27-M58 VanDerWaalsContact CB-SD 3.56Å; F27-M58 HydrophobicContact CD1-SD 4.07Å; F27-M58 HydrophobicContact CD2-CB 3.75Å; F27-M58 HydrophobicContact CD2-CG 3.64Å; F27-M58 HydrophobicContact CD2-SD 4.1Å; F27-M58 HydrophobicContact CE2-CB 4.09Å; F27-M58 HydrophobicContact CE2-CG 4.43Å; F27-M58 HydrophobicContact CG-CB 4.33Å; F27-M58 HydrophobicContact CG-CG 3.79Å; F27-M58 HydrophobicContact CG-SD 3.67Å
28F88.4Confident84.4Confident87 Ų8787.6 Ų87.638%0.38243%0.432SS..THydrogen-bonded Turntrans45.253.5-176.7-64.9-73.2000113.7I2 R30 H40I2-F28 HydrophobicContact CD1-CE1 4.37Å; I2-F28 HydrophobicContact CD1-CZ 3.85Å; F28-R30 PolarHBondContact O-N 3.09Å; F28-R30 VanDerWaalsContact O-N 3.14Å; F28-H40 AromaticContact CE1-NE2 3.65Å; F28-H40 HydrophobicContact CE2-CB 4.03Å; F28-H40 AromaticContact CE2-CD2 3.21Å; F28-H40 WeakPolarHBondContact CE2-CD2 3.44Å; F28-H40 AromaticContact CE2-CE1 3.94Å; F28-H40 AromaticContact CE2-CG 3.44Å; F28-H40 VanDerWaalsContact CE2-CG 3.44Å; F28-H40 AromaticContact CE2-ND1 3.89Å; F28-H40 AromaticContact CE2-NE2 3.56Å; F28-H40 AromaticContact CZ-CD2 3.21Å; F28-H40 WeakPolarHBondContact CZ-CD2 3.43Å; F28-H40 AromaticContact CZ-CE1 3.84Å; F28-H40 AromaticContact CZ-CG 3.91Å; F28-H40 AromaticContact CZ-NE2 3.17Å; F28-H40 WeakPolarHBondContact CZ-NE2 3.41Å
29N90.4Very high86.4Confident136 Ų13687.3 Ų87.373%0.72743%0.431SS*.THydrogen-bonded Turntrans59.719.1-179-65.3-22.4000115.5F27F27-N29 VanDerWaalsContact C-N 3.35Å; F27-N29 PolarHBondContact O-N 3.44Å
30R94.1Very high88.1Confident159 Ų15988.1 Ų88.160%0.642%0.423SS*.EExtended strand (participates in β ladder)trans-122.2153.2172.3-65.5-175.6-179.8-158.81.4110.3R26 F27 F28 Y32R26-R30 CarbonylContact C-O 3.45Å; R26-R30 WeakPolarHBondContact CA-O 3.01Å; F27-R30 PolarHBondContact N-O 3.06Å; F27-R30 PolarHBondContact O-N 3.09Å; F28-R30 PolarHBondContact O-N 3.09Å; F28-R30 VanDerWaalsContact O-N 3.14Å; R30-Y32 HydrophobicContact CB-CD2 4.44Å; R30-Y32 HydrophobicContact CB-CE2 3.58Å; R30-Y32 WeakPolarHBondContact CD-OH 3.31Å
31T93.1Very high89.7Confident95 Ų9588.6 Ų88.658%0.58343%0.426SS*.EExtended strand (participates in β ladder)trans-104.7136.5172.945.60000109.9C25C25-T31 CarbonylContact O-C 3.57Å; C25-T31 VanDerWaalsContact O-CA 3.28Å; C25-T31 WeakPolarHBondContact O-CA 3.44Å
32Y93.6Very high91.1Very high50 Ų5085.7 Ų85.720%0.19641%0.412CS..EExtended strand (participates in β ladder)trans-124.9140.3-178.7-61.8-88.7000108.7R24 C25 F27 R30 V38 M58R24-Y32 CarbonylContact C-O 3.56Å; R24-Y32 WeakPolarHBondContact CA-O 3.37Å; R24-Y32 WeakPolarHBondContact CB-O 3.36Å; C25-Y32 PolarHBondContact N-O 2.85Å; C25-Y32 PolarHBondContact O-N 3.39Å; F27-Y32 HydrophobicContact CB-CD2 3.9Å; F27-Y32 HydrophobicContact CB-CE2 3.72Å; F27-Y32 HydrophobicContact CD1-CE2 4.34Å; R30-Y32 HydrophobicContact CB-CD2 4.44Å; R30-Y32 HydrophobicContact CB-CE2 3.58Å; R30-Y32 WeakPolarHBondContact CD-OH 3.31Å; Y32-V38 HydrophobicContact CD1-CG1 4.44Å; Y32-V38 HydrophobicContact CD1-CG2 3.47Å; Y32-V38 VanDerWaalsContact CD1-CG2 3.47Å; Y32-V38 HydrophobicContact CD2-CG2 4.17Å; Y32-V38 HydrophobicContact CE1-CB 4.23Å; Y32-V38 HydrophobicContact CE1-CG1 3.61Å; Y32-V38 HydrophobicContact CE1-CG2 3.5Å; Y32-V38 HydrophobicContact CE2-CG2 4.22Å; Y32-V38 HydrophobicContact CG-CG2 3.81Å; Y32-M58 HydrophobicContact CD2-SD 4.43Å
33N92.5Very high91.8Very high93 Ų9380.1 Ų80.150%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-65.7159174.4-63.9-29.6000110.6R24 A36 C47R24-N33 PolarHBondContact NE-OD1 2.75Å; N33-A36 WeakPolarHBondContact O-CB 3.45Å; N33-A36 PolarHBondContact O-N 2.82Å; N33-A36 VanDerWaalsContact O-N 3.08Å; N33-C47 WeakPolarHBondContact O-CB 3.41Å
34Y88.8Confident92.4Very high76 Ų7678.8 Ų78.830%0.29838%0.376SS..THydrogen-bonded Turntrans-48.8143.1166.1177.7-113.2000111.2D20 L23 A36 F49D20-Y34 HydrophobicContact CB-CD1 4.34Å; L23-Y34 HydrophobicContact CB-CG 4.41Å; L23-Y34 PolarHBondContact O-N 3.14Å; Y34-A36 PolarHBondContact O-N 2.87Å; Y34-F49 HydrophobicContact CD2-CB 4.29Å; Y34-F49 HydrophobicContact CE2-CB 4.01Å
35D87.9Confident92.6Very high99 Ų9972.9 Ų72.953%0.52935%0.354SS..THydrogen-bonded Turntrans61.90.8-172.9-64.5-30.1000116.8K37 C47D35-K37 PolarHBondContact O-N 3.21Å; D35-C47 PolarHBondContact N-O 3.43Å
36A94.4Very high92.8Very high27 Ų2773.2 Ų73.222%0.22336%0.357CS..  trans-61.8139.4172.500000110.9N33 Y34 A46 C47N33-A36 WeakPolarHBondContact O-CB 3.45Å; N33-A36 PolarHBondContact O-N 2.82Å; N33-A36 VanDerWaalsContact O-N 3.08Å; Y34-A36 PolarHBondContact O-N 2.87Å; A36-A46 WeakPolarHBondContact O-CA 3.42Å; A36-C47 PolarHBondContact O-N 3.28Å
37K95.5Very high93Very high124 Ų12467.4 Ų67.454%0.53934%0.335SS..EExtended strand (participates in β ladder)trans-109.9134.7174.5-59.7-175.9-172.61770110.2D35 E44 Y45 I61D35-K37 PolarHBondContact O-N 3.21Å; K37-E44 HydrophobicContact CB-CG 4.44Å; K37-E44 VanDerWaalsContact CD-OE1 3.26Å; K37-E44 WeakPolarHBondContact CD-OE1 3.17Å; K37-Y45 CarbonylContact C-O 3.56Å; K37-Y45 VanDerWaalsContact CA-O 3.23Å; K37-Y45 WeakPolarHBondContact CA-O 3.31Å; K37-I61 HydrophobicContact CD-CD1 4.29Å
38V95.9Very high93Very high21 Ų2169.5 Ų69.513%0.12735%0.348CS..EExtended strand (participates in β ladder)trans-133.9136.9-175.5-152.60000109Y32 E44 Y45 M58Y32-V38 HydrophobicContact CD1-CG1 4.44Å; Y32-V38 HydrophobicContact CD1-CG2 3.47Å; Y32-V38 VanDerWaalsContact CD1-CG2 3.47Å; Y32-V38 HydrophobicContact CD2-CG2 4.17Å; Y32-V38 HydrophobicContact CE1-CB 4.23Å; Y32-V38 HydrophobicContact CE1-CG1 3.61Å; Y32-V38 HydrophobicContact CE1-CG2 3.5Å; Y32-V38 HydrophobicContact CE2-CG2 4.22Å; Y32-V38 HydrophobicContact CG-CG2 3.81Å; V38-E44 WeakPolarHBondContact O-CA 3.44Å; V38-Y45 PolarHBondContact N-O 3.09Å; V38-Y45 PolarHBondContact O-N 3.14Å; V38-M58 HydrophobicContact CG2-SD 4.43Å
39V95Very high92.9Very high92 Ų9267.1 Ų67.156%0.55834%0.338SS*.EExtended strand (participates in β ladder)trans-102.5128.9175.5177.40000109.8I43 E44 L64V39-I43 CarbonylContact C-O 3.56Å; V39-I43 WeakPolarHBondContact CA-O 3.25Å; V39-E44 HydrophobicContact CG2-CG 4.45Å; V39-L64 HydrophobicContact CB-CD1 4.16Å; V39-L64 HydrophobicContact CG1-CD1 3.41Å; V39-L64 VanDerWaalsContact CG1-CD1 3.41Å; V39-L64 HydrophobicContact CG2-CD1 3.63Å
40H94.3Very high92.6Very high59 Ų5962.9 Ų62.927%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-144.6131.2172.8-174.576.2000110F27 F28 Q42 I43 Y45F27-H40 HydrophobicContact CE1-CB 4.2Å; F28-H40 AromaticContact CE1-NE2 3.65Å; F28-H40 HydrophobicContact CE2-CB 4.03Å; F28-H40 AromaticContact CE2-CD2 3.21Å; F28-H40 WeakPolarHBondContact CE2-CD2 3.44Å; F28-H40 AromaticContact CE2-CE1 3.94Å; F28-H40 AromaticContact CE2-CG 3.44Å; F28-H40 VanDerWaalsContact CE2-CG 3.44Å; F28-H40 AromaticContact CE2-ND1 3.89Å; F28-H40 AromaticContact CE2-NE2 3.56Å; F28-H40 AromaticContact CZ-CD2 3.21Å; F28-H40 WeakPolarHBondContact CZ-CD2 3.43Å; F28-H40 AromaticContact CZ-CE1 3.84Å; F28-H40 AromaticContact CZ-CG 3.91Å; F28-H40 AromaticContact CZ-NE2 3.17Å; F28-H40 WeakPolarHBondContact CZ-NE2 3.41Å; H40-Q42 VanDerWaalsContact C-N 3.34Å; H40-Q42 PolarHBondContact O-N 3.31Å; H40-I43 PolarHBondContact N-O 3.01Å; H40-I43 WeakPolarHBondContact O-CB 3.04Å; H40-I43 PolarHBondContact O-N 3.49Å; H40-Y45 HydrophobicContact CB-CD2 4.39Å; H40-Y45 HydrophobicContact CB-CE2 3.97Å
41N92.4Very high92.1Very high124 Ų12462.9 Ų62.966%0.66332%0.323SS*.THydrogen-bonded Turntrans45.851.3-179.8-63.4-16.1000114.2I43N41-I43 PolarHBondContact O-N 3.19Å
42Q93.8Very high91.4Very high109 Ų10967.8 Ų67.851%0.50934%0.34SS..THydrogen-bonded Turntrans60.523.6-178.6-58.3178.6-19.700114.7H40 L64H40-Q42 VanDerWaalsContact C-N 3.34Å; H40-Q42 PolarHBondContact O-N 3.31Å; Q42-L64 WeakPolarHBondContact O-CB 3.34Å; Q42-L64 PolarHBondContact O-N 3.13Å
43I93.6Very high90.8Very high16 Ų1668.5 Ų68.58%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-123131.5175.3-61.8155.9000108.2V39 H40 N41 Y45 P60 M92V39-I43 CarbonylContact C-O 3.56Å; V39-I43 WeakPolarHBondContact CA-O 3.25Å; H40-I43 PolarHBondContact N-O 3.01Å; H40-I43 WeakPolarHBondContact O-CB 3.04Å; H40-I43 PolarHBondContact O-N 3.49Å; N41-I43 PolarHBondContact O-N 3.19Å; I43-Y45 HydrophobicContact CB-CD2 4.3Å; I43-Y45 HydrophobicContact CB-CE2 3.54Å; I43-Y45 WeakPolarHBondContact CD1-OH 3.5Å; I43-Y45 HydrophobicContact CG2-CD1 4.42Å; I43-Y45 HydrophobicContact CG2-CD2 3.86Å; I43-Y45 HydrophobicContact CG2-CE1 3.99Å; I43-Y45 HydrophobicContact CG2-CE2 3.36Å; I43-Y45 HydrophobicContact CG2-CG 4.36Å; I43-Y45 VanDerWaalsContact CG2-CZ 3.42Å; I43-Y45 WeakPolarHBondContact O-CD2 3.31Å; I43-P60 HydrophobicContact CG2-CB 3.95Å; I43-M92 HydrophobicContact CB-CE 4.39Å; I43-M92 WeakPolarHBondContact CD1-O 3.23Å; I43-M92 HydrophobicContact CG1-CE 4.49Å; I43-M92 HydrophobicContact CG2-CE 3.34Å
44E94.7Very high90.3Very high7 Ų765 Ų653%0.03334%0.339CS..EExtended strand (participates in β ladder)trans-89.9127.9168.5-169173.6-172.900109.2K37 V38 V39 I61 F62 L64 R69K37-E44 HydrophobicContact CB-CG 4.44Å; K37-E44 VanDerWaalsContact CD-OE1 3.26Å; K37-E44 WeakPolarHBondContact CD-OE1 3.17Å; V38-E44 WeakPolarHBondContact O-CA 3.44Å; V39-E44 HydrophobicContact CG2-CG 4.45Å; E44-I61 HydrophobicContact CB-CG1 4.2Å; E44-I61 HydrophobicContact CG-CD1 3.99Å; E44-I61 HydrophobicContact CG-CG1 4.07Å; E44-I61 WeakPolarHBondContact O-CG1 3.32Å; E44-I61 PolarHBondContact O-N 3.1Å; E44-F62 HydrophobicContact CB-CB 4.26Å; E44-F62 PolarHBondContact N-O 3.3Å; E44-F62 PolarHBondContact O-N 2.69Å; E44-F62 WeakPolarHBondContact OE2-CD2 3.39Å; E44-L64 HydrophobicContact CB-CD1 4.41Å; E44-L64 HydrophobicContact CB-CD2 4.21Å; E44-L64 HydrophobicContact CB-CG 4.4Å; E44-R69 IonicContact OE1-CZ 3.47Å; E44-R69 IonicContact OE1-NE 2.76Å; E44-R69 IonicContact OE1-NH2 2.8Å; E44-R69 PolarHBondContact OE1-NH2 2.96Å; E44-R69 IonicContact OE2-CZ 2.94Å; E44-R69 IonicContact OE2-NE 3.2Å; E44-R69 PolarHBondContact OE2-NE 3.1Å; E44-R69 IonicContact OE2-NH2 2.7Å; E44-R69 PolarHBondContact OE2-NH2 2.9Å
45Y94.4Very high90.1Very high24 Ų2464.2 Ų64.29%0.09434%0.336CS..EExtended strand (participates in β ladder)trans-111.7146.7176.8-62.2-95.8000109.5F27 K37 V38 H40 I43 V59 P60F27-Y45 AromaticContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CE2 4.2Å; F27-Y45 HydrophobicContact CE1-CG 4.01Å; F27-Y45 HydrophobicContact CE2-CD1 4.09Å; F27-Y45 HydrophobicContact CE2-CE1 4.19Å; F27-Y45 HydrophobicContact CE2-CG 4.34Å; F27-Y45 AromaticContact CZ-CD1 3.71Å; F27-Y45 HydrophobicContact CZ-CD1 3.71Å; F27-Y45 AromaticContact CZ-CD2 3.56Å; F27-Y45 HydrophobicContact CZ-CD2 3.56Å; F27-Y45 AromaticContact CZ-CE1 3.81Å; F27-Y45 HydrophobicContact CZ-CE1 3.81Å; F27-Y45 AromaticContact CZ-CE2 3.66Å; F27-Y45 HydrophobicContact CZ-CE2 3.66Å; F27-Y45 AromaticContact CZ-CG 3.59Å; F27-Y45 HydrophobicContact CZ-CG 3.59Å; F27-Y45 AromaticContact CZ-CZ 3.79Å; K37-Y45 CarbonylContact C-O 3.56Å; K37-Y45 VanDerWaalsContact CA-O 3.23Å; K37-Y45 WeakPolarHBondContact CA-O 3.31Å; V38-Y45 PolarHBondContact N-O 3.09Å; V38-Y45 PolarHBondContact O-N 3.14Å; H40-Y45 HydrophobicContact CB-CD2 4.39Å; H40-Y45 HydrophobicContact CB-CE2 3.97Å; I43-Y45 HydrophobicContact CB-CD2 4.3Å; I43-Y45 HydrophobicContact CB-CE2 3.54Å; I43-Y45 WeakPolarHBondContact CD1-OH 3.5Å; I43-Y45 HydrophobicContact CG2-CD1 4.42Å; I43-Y45 HydrophobicContact CG2-CD2 3.86Å; I43-Y45 HydrophobicContact CG2-CE1 3.99Å; I43-Y45 HydrophobicContact CG2-CE2 3.36Å; I43-Y45 HydrophobicContact CG2-CG 4.36Å; I43-Y45 VanDerWaalsContact CG2-CZ 3.42Å; I43-Y45 WeakPolarHBondContact O-CD2 3.31Å; Y45-V59 CarbonylContact C-O 3.52Å; Y45-V59 VanDerWaalsContact CA-O 3.25Å; Y45-V59 WeakPolarHBondContact CA-O 3.34Å; Y45-P60 HydrophobicContact CD1-CB 4.04Å; Y45-P60 HydrophobicContact CE1-CB 3.87Å; Y45-P60 HydrophobicContact CE1-CG 4.48Å
46A94.7Very high90.1Very high11 Ų1161 Ų619%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-123142.8173.200000111.6A36 T48 M58 V59 I61A36-A46 WeakPolarHBondContact O-CA 3.42Å; A46-T48 HydrophobicContact CB-CG2 4.42Å; A46-T48 PolarHBondContact O-N 3.43Å; A46-M58 WeakPolarHBondContact O-CE 2.94Å; A46-V59 PolarHBondContact N-O 2.84Å; A46-V59 WeakPolarHBondContact O-CG2 3.16Å; A46-V59 PolarHBondContact O-N 3.03Å; A46-I61 HydrophobicContact CB-CD1 3.73Å; A46-I61 HydrophobicContact CB-CG1 4.19Å; A46-I61 HydrophobicContact CB-CG2 3.85Å
47C93.8Very high89.9Confident0 Ų061.1 Ų61.10%032%0.318CS..EExtended strand (participates in β ladder)trans-84.9107.9176.6-173.80000110.5C25 N33 D35 A36 V56 M58C25-C47 HydrophobicContact CB-CB 3.83Å; C25-C47 WeakPolarHBondContact CB-SG 3.42Å; C25-C47 PolarHBondContact N-SG 3.49Å; C25-C47 VanDerWaalsContact N-SG 3.37Å; C25-C47 WeakPolarHBondContact SG-CA 3.28Å; C25-C47 WeakPolarHBondContact SG-CB 3.39Å; C25-C47 CovalentContact SG-SG 2.03Å; C25-C47 PolarHBondContact SG-SG 3.4Å; N33-C47 WeakPolarHBondContact O-CB 3.41Å; D35-C47 PolarHBondContact N-O 3.43Å; A36-C47 PolarHBondContact O-N 3.28Å; C47-V56 VanDerWaalsContact SG-CG1 3.54Å; C47-M58 HydrophobicContact CB-CE 3.55Å
48T90.9Very high89.7Confident51 Ų5155.7 Ų55.731%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-119.4155.5-176.159.40000111A46 V56 T57 V59A46-T48 HydrophobicContact CB-CG2 4.42Å; A46-T48 PolarHBondContact O-N 3.43Å; T48-V56 CarbonylContact O-C 3.52Å; T48-V56 VanDerWaalsContact O-CA 3.3Å; T48-V56 WeakPolarHBondContact O-CA 3.48Å; T48-T57 PolarHBondContact N-O 3.39Å; T48-T57 PolarHBondContact O-N 3.49Å; T48-T57 PolarHBondContact OG1-O 3.31Å; T48-V59 HydrophobicContact CG2-CG2 3.75Å
49F87.2Confident89.4Confident37 Ų3756.7 Ų56.716%0.16230%0.301CS..EExtended strand (participates in β ladder)trans-115.4123.8174.6175.4-116.1000109A16 L23 Y34 K51 K55 V56A16-F49 HydrophobicContact CB-CE1 4.35Å; A16-F49 HydrophobicContact CB-CZ 4.39Å; L23-F49 HydrophobicContact CD1-CB 4.06Å; L23-F49 HydrophobicContact CD1-CD1 4.21Å; L23-F49 HydrophobicContact CD1-CD2 4.41Å; L23-F49 HydrophobicContact CD1-CG 3.99Å; L23-F49 HydrophobicContact CD2-CD2 4.25Å; L23-F49 HydrophobicContact CD2-CE2 4.42Å; Y34-F49 HydrophobicContact CD2-CB 4.29Å; Y34-F49 HydrophobicContact CE2-CB 4.01Å; F49-K51 HydrophobicContact CD1-CG 4.07Å; F49-K51 HydrophobicContact CE1-CB 4.42Å; F49-K51 HydrophobicContact CE1-CG 3.71Å; F49-K55 WeakPolarHBondContact CA-O 3.36Å; F49-V56 HydrophobicContact CB-CG2 4.34Å; F49-V56 HydrophobicContact CD2-CG2 3.67Å; F49-V56 HydrophobicContact CE2-CG2 4.48Å; F49-V56 HydrophobicContact CG-CG2 4.42Å
50S84.7Confident89.3Confident46 Ų4653.4 Ų53.432%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-92.8116.4168.6171.90000108.6A53 C54 K55S50-A53 WeakPolarHBondContact OG-CB 3.34Å; S50-A53 PolarHBondContact OG-N 3.17Å; S50-A53 VanDerWaalsContact OG-N 3.13Å; S50-C54 CarbonylContact O-C 3.52Å; S50-C54 WeakPolarHBondContact O-CA 3.12Å; S50-C54 PolarHBondContact O-N 3.42Å; S50-K55 PolarHBondContact N-O 3.45Å; S50-K55 PolarHBondContact O-N 2.95Å
51K82.8Confident89.2Confident160 Ų16052.4 Ų52.470%0.69628%0.278SS*.THydrogen-bonded Turntrans-63-43.4174.9-71.1-176.3177.5-175.70111.4F49 C54F49-K51 HydrophobicContact CD1-CG 4.07Å; F49-K51 HydrophobicContact CE1-CB 4.42Å; F49-K51 HydrophobicContact CE1-CG 3.71Å; K51-C54 PolarHBondContact O-N 2.93Å; K51-C54 VanDerWaalsContact O-N 3.13Å
52E78.5Confident89.2Confident198 Ų19847.6 Ų47.693%0.92525%0.251SS*.THydrogen-bonded Turntrans-62.8-46.7-179.6-65.1176.9-178.100112.1C54E52-C54 PolarHBondContact O-N 2.89Å
53A81.6Confident89.2Confident64 Ų6442.5 Ų42.553%0.52923%0.227SC..THydrogen-bonded Turntrans-81.6-7.6176.600000112.5S50 K55S50-A53 WeakPolarHBondContact OG-CB 3.34Å; S50-A53 PolarHBondContact OG-N 3.17Å; S50-A53 VanDerWaalsContact OG-N 3.13Å; A53-K55 HydrophobicContact CB-CB 4.03Å; A53-K55 PolarHBondContact O-N 3.42Å
54C81.3Confident89.2Confident21 Ų2142.8 Ų42.814%0.14223%0.229CC..THydrogen-bonded Turntrans47.645.1-171.8-1660000113.1C13 S50 K51 E52C13-C54 HydrophobicContact CB-CB 3.59Å; C13-C54 WeakPolarHBondContact CB-SG 3.3Å; C13-C54 WeakPolarHBondContact SG-CB 3.48Å; C13-C54 CovalentContact SG-SG 1.98Å; C13-C54 PolarHBondContact SG-SG 2.98Å; S50-C54 CarbonylContact O-C 3.52Å; S50-C54 WeakPolarHBondContact O-CA 3.12Å; S50-C54 PolarHBondContact O-N 3.42Å; K51-C54 PolarHBondContact O-N 2.93Å; K51-C54 VanDerWaalsContact O-N 3.13Å; E52-C54 PolarHBondContact O-N 2.89Å
55K85.4Confident88.9Confident58 Ų5844.9 Ų44.925%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-139130.6-165.2-171.1175-179.9168.10111.4E5 F49 S50 A53E5-K55 IonicContact OE1-NZ 3.41Å; F49-K55 WeakPolarHBondContact CA-O 3.36Å; S50-K55 PolarHBondContact N-O 3.45Å; S50-K55 PolarHBondContact O-N 2.95Å; A53-K55 HydrophobicContact CB-CB 4.03Å; A53-K55 PolarHBondContact O-N 3.42Å
56V87.7Confident88.7Confident32 Ų3247 Ų4719%0.19427%0.269CS..EExtended strand (participates in β ladder)trans-86.1125.5168.5-179.80000108.3L23 R24 C25 C47 T48 F49L23-V56 HydrophobicContact CB-CG2 3.98Å; L23-V56 HydrophobicContact CD2-CG2 3.67Å; L23-V56 HydrophobicContact CG-CG2 4.31Å; R24-V56 WeakPolarHBondContact O-CG1 3.36Å; C25-V56 HydrophobicContact CB-CG1 4.2Å; C25-V56 WeakPolarHBondContact SG-CG1 3.01Å; C47-V56 VanDerWaalsContact SG-CG1 3.54Å; T48-V56 CarbonylContact O-C 3.52Å; T48-V56 VanDerWaalsContact O-CA 3.3Å; T48-V56 WeakPolarHBondContact O-CA 3.48Å; F49-V56 HydrophobicContact CB-CG2 4.34Å; F49-V56 HydrophobicContact CD2-CG2 3.67Å; F49-V56 HydrophobicContact CE2-CG2 4.48Å; F49-V56 HydrophobicContact CG-CG2 4.42Å
57T89.6Confident88.5Confident29 Ų2954.2 Ų54.218%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-137.6145.6-173.5-53.30000111Y3 C25 T48 V59Y3-T57 HydrophobicContact CD1-CG2 3.64Å; Y3-T57 HydrophobicContact CE1-CG2 3.65Å; C25-T57 VanDerWaalsContact SG-C 3.58Å; C25-T57 PolarHBondContact SG-O 2.72Å; C25-T57 VanDerWaalsContact SG-O 3.41Å; T48-T57 PolarHBondContact N-O 3.39Å; T48-T57 PolarHBondContact O-N 3.49Å; T48-T57 PolarHBondContact OG1-O 3.31Å; T57-V59 HydrophobicContact CG2-CG1 4.25Å
58M91.7Very high88.3Confident11 Ų1155.7 Ų55.75%0.05432%0.318CS..EExtended strand (participates in β ladder)trans-84.8115.5167.2-65.7-95.255.800109.8C25 F27 Y32 V38 A46 C47C25-M58 HydrophobicContact CB-CE 4.08Å; C25-M58 HydrophobicContact CB-CG 3.6Å; C25-M58 HydrophobicContact CB-SD 3.67Å; F27-M58 HydrophobicContact CB-CG 3.69Å; F27-M58 HydrophobicContact CB-SD 3.56Å; F27-M58 VanDerWaalsContact CB-SD 3.56Å; F27-M58 HydrophobicContact CD1-SD 4.07Å; F27-M58 HydrophobicContact CD2-CB 3.75Å; F27-M58 HydrophobicContact CD2-CG 3.64Å; F27-M58 HydrophobicContact CD2-SD 4.1Å; F27-M58 HydrophobicContact CE2-CB 4.09Å; F27-M58 HydrophobicContact CE2-CG 4.43Å; F27-M58 HydrophobicContact CG-CB 4.33Å; F27-M58 HydrophobicContact CG-CG 3.79Å; F27-M58 HydrophobicContact CG-SD 3.67Å; Y32-M58 HydrophobicContact CD2-SD 4.43Å; V38-M58 HydrophobicContact CG2-SD 4.43Å; A46-M58 WeakPolarHBondContact O-CE 2.94Å; C47-M58 HydrophobicContact CB-CE 3.55Å
59V90.1Very high88.3Confident42 Ų4260 Ų6026%0.25533%0.329SS..EExtended strand (participates in β ladder)trans-110.1131.3179.5-61.80000110.2Y45 A46 T48 T57 I61Y45-V59 CarbonylContact C-O 3.52Å; Y45-V59 VanDerWaalsContact CA-O 3.25Å; Y45-V59 WeakPolarHBondContact CA-O 3.34Å; A46-V59 PolarHBondContact N-O 2.84Å; A46-V59 WeakPolarHBondContact O-CG2 3.16Å; A46-V59 PolarHBondContact O-N 3.03Å; T48-V59 HydrophobicContact CG2-CG2 3.75Å; T57-V59 HydrophobicContact CG2-CG1 4.25Å; V59-I61 HydrophobicContact CG2-CG2 3.98Å; V59-I61 PolarHBondContact O-N 3.17Å
60P91.1Very high88.4Confident23 Ų2359 Ų5915%0.14933%0.326CS..EExtended strand (participates in β ladder)trans-65129.4169.525.8-31000109.6I43 Y45 L87 M92I43-P60 HydrophobicContact CG2-CB 3.95Å; Y45-P60 HydrophobicContact CD1-CB 4.04Å; Y45-P60 HydrophobicContact CE1-CB 3.87Å; Y45-P60 HydrophobicContact CE1-CG 4.48Å; P60-L87 HydrophobicContact CG-CD1 3.96Å; P60-M92 HydrophobicContact CB-CB 3.75Å; P60-M92 HydrophobicContact CB-CE 3.52Å; P60-M92 HydrophobicContact CB-CG 4.44Å; P60-M92 HydrophobicContact CB-SD 3.88Å; P60-M92 HydrophobicContact CG-CB 4.16Å
61I92.8Very high88.7Confident38 Ų3860.2 Ų60.220%0.19533%0.327CS..EExtended strand (participates in β ladder)trans-119.2-32.5-175.554.5162000114.6K37 E44 A46 V59 P72K37-I61 HydrophobicContact CD-CD1 4.29Å; E44-I61 HydrophobicContact CB-CG1 4.2Å; E44-I61 HydrophobicContact CG-CD1 3.99Å; E44-I61 HydrophobicContact CG-CG1 4.07Å; E44-I61 WeakPolarHBondContact O-CG1 3.32Å; E44-I61 PolarHBondContact O-N 3.1Å; A46-I61 HydrophobicContact CB-CD1 3.73Å; A46-I61 HydrophobicContact CB-CG1 4.19Å; A46-I61 HydrophobicContact CB-CG2 3.85Å; V59-I61 HydrophobicContact CG2-CG2 3.98Å; V59-I61 PolarHBondContact O-N 3.17Å; I61-P72 VanDerWaalsContact O-CD 3.25Å; I61-P72 WeakPolarHBondContact O-CD 3.27Å
62F92.8Very high88.9Confident23 Ų2354.9 Ų54.910%0.10131%0.308CS..EExtended strand (participates in β ladder)trans-143.3146173.9-59.4-72.1000111.6E44 R69 V70 E71 M92E44-F62 HydrophobicContact CB-CB 4.26Å; E44-F62 PolarHBondContact N-O 3.3Å; E44-F62 PolarHBondContact O-N 2.69Å; E44-F62 WeakPolarHBondContact OE2-CD2 3.39Å; F62-R69 HydrophobicContact CB-CB 4.24Å; F62-R69 HydrophobicContact CB-CG 4.45Å; F62-R69 HydrophobicContact CD1-CB 4.22Å; F62-R69 HydrophobicContact CG-CB 4.11Å; F62-R69 HydrophobicContact CG-CG 4.41Å; F62-V70 WeakPolarHBondContact CA-O 3.38Å; F62-E71 HydrophobicContact CD1-CB 4.49Å; F62-E71 HydrophobicContact CD1-CG 4.22Å; F62-E71 HydrophobicContact CE1-CB 4.45Å; F62-E71 HydrophobicContact CE1-CG 3.92Å; F62-M92 WeakPolarHBondContact O-CE 3.36Å
63C93.5Very high89.2Confident1 Ų146.8 Ų46.81%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-81.6145.9157.6-58.70000109.1V70 C85 G93 I94C63-V70 HydrophobicContact CB-CB 4.33Å; C63-V70 PolarHBondContact N-O 3.28Å; C63-V70 PolarHBondContact O-N 3.43Å; C63-C85 HydrophobicContact CB-CB 3.58Å; C63-C85 WeakPolarHBondContact CB-SG 3.08Å; C63-C85 PolarHBondContact N-SG 2.88Å; C63-C85 WeakPolarHBondContact SG-CA 3.41Å; C63-C85 WeakPolarHBondContact SG-CB 3.47Å; C63-C85 CovalentContact SG-SG 2.03Å; C63-C85 PolarHBondContact SG-SG 2.05Å; C63-G93 VanDerWaalsContact SG-C 3.57Å; C63-I94 HydrophobicContact CB-CD1 3.97Å; C63-I94 HydrophobicContact CB-CG1 3.5Å
64L92.9Very high89.5Confident23 Ų2345.4 Ų45.412%0.1227%0.266CS..EExtended strand (participates in β ladder)trans-110.2131.3179.3-56.3-180000109.9V39 Q42 E44 A68 R69V39-L64 HydrophobicContact CB-CD1 4.16Å; V39-L64 HydrophobicContact CG1-CD1 3.41Å; V39-L64 VanDerWaalsContact CG1-CD1 3.41Å; V39-L64 HydrophobicContact CG2-CD1 3.63Å; Q42-L64 WeakPolarHBondContact O-CB 3.34Å; Q42-L64 PolarHBondContact O-N 3.13Å; E44-L64 HydrophobicContact CB-CD1 4.41Å; E44-L64 HydrophobicContact CB-CD2 4.21Å; E44-L64 HydrophobicContact CB-CG 4.4Å; L64-A68 WeakPolarHBondContact CA-O 3.1Å; L64-R69 HydrophobicContact CD2-CG 3.78Å
65L88.6Confident89.8Confident50 Ų5045.4 Ų45.426%0.26227%0.27SS..EExtended strand (participates in β ladder)trans-125.693.5173.4-177.769.6000108.9D67 A68 F76 M78 I94L65-D67 PolarHBondContact O-N 3.04Å; L65-A68 PolarHBondContact N-O 2.9Å; L65-A68 WeakPolarHBondContact O-CB 3.06Å; L65-A68 PolarHBondContact O-N 3.22Å; L65-A68 VanDerWaalsContact O-N 3.08Å; L65-F76 HydrophobicContact CD2-CD2 4.22Å; L65-F76 HydrophobicContact CD2-CE2 3.55Å; L65-F76 HydrophobicContact CD2-CZ 3.86Å; L65-M78 HydrophobicContact CD1-CE 3.8Å; L65-M78 HydrophobicContact CD2-CE 3.48Å; L65-M78 VanDerWaalsContact CD2-CE 3.48Å; L65-M78 HydrophobicContact CG-CE 4.15Å; L65-I94 HydrophobicContact CB-CD1 3.99Å; L65-I94 HydrophobicContact CD1-CD1 4.28Å
66G91Very high90Very high68 Ų6843.7 Ų43.770%0.70126%0.263SS*.THydrogen-bonded Turntrans61.2-123.5-163.700000109.6
67D90.6Very high90.2Very high163 Ų16344 Ų4487%0.87227%0.269SS*.THydrogen-bonded Turntrans-89.1-6.2176.9-59.4-41.1000113.2L65L65-D67 PolarHBondContact O-N 3.04Å
68A88.8Confident90.2Very high31 Ų3145.7 Ų45.726%0.25628%0.275SS..EExtended strand (participates in β ladder)trans-81137.5-179.700000111.6L64 L65L64-A68 WeakPolarHBondContact CA-O 3.1Å; L65-A68 PolarHBondContact N-O 2.9Å; L65-A68 WeakPolarHBondContact O-CB 3.06Å; L65-A68 PolarHBondContact O-N 3.22Å; L65-A68 VanDerWaalsContact O-N 3.08Å
69R92.3Very high90.3Very high142 Ų14246.6 Ų46.654%0.53629%0.287SS..EExtended strand (participates in β ladder)trans-98.2127.3171.6-69177.4170.8172.8-4110E44 F62 L64E44-R69 IonicContact OE1-CZ 3.47Å; E44-R69 IonicContact OE1-NE 2.76Å; E44-R69 IonicContact OE1-NH2 2.8Å; E44-R69 PolarHBondContact OE1-NH2 2.96Å; E44-R69 IonicContact OE2-CZ 2.94Å; E44-R69 IonicContact OE2-NE 3.2Å; E44-R69 PolarHBondContact OE2-NE 3.1Å; E44-R69 IonicContact OE2-NH2 2.7Å; E44-R69 PolarHBondContact OE2-NH2 2.9Å; F62-R69 HydrophobicContact CB-CB 4.24Å; F62-R69 HydrophobicContact CB-CG 4.45Å; F62-R69 HydrophobicContact CD1-CB 4.22Å; F62-R69 HydrophobicContact CG-CB 4.11Å; F62-R69 HydrophobicContact CG-CG 4.41Å; L64-R69 HydrophobicContact CD2-CG 3.78Å
70V89.3Confident90.5Very high16 Ų1646.9 Ų46.910%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-113.7121.4177.1-172.80000108.6F62 C63 A74 F76 C85F62-V70 WeakPolarHBondContact CA-O 3.38Å; C63-V70 HydrophobicContact CB-CB 4.33Å; C63-V70 PolarHBondContact N-O 3.28Å; C63-V70 PolarHBondContact O-N 3.43Å; V70-A74 HydrophobicContact CG1-CB 4.01Å; V70-F76 HydrophobicContact CB-CE1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 3.85Å; V70-F76 HydrophobicContact CG1-CE1 3.89Å; V70-F76 HydrophobicContact CG2-CD1 4.05Å; V70-F76 HydrophobicContact CG2-CE1 3.83Å; V70-C85 HydrophobicContact CB-CB 4.06Å; V70-C85 HydrophobicContact CG1-CB 3.63Å
71E89.8Confident90.8Very high72 Ų7247.4 Ų47.434%0.33629%0.286SS..  trans-69.1150-180-43.9-162151.900111.6F62 G73 A74 C85 R249F62-E71 HydrophobicContact CD1-CB 4.49Å; F62-E71 HydrophobicContact CD1-CG 4.22Å; F62-E71 HydrophobicContact CE1-CB 4.45Å; F62-E71 HydrophobicContact CE1-CG 3.92Å; E71-G73 PolarHBondContact O-N 2.93Å; E71-A74 HydrophobicContact CB-CB 4.08Å; E71-A74 WeakPolarHBondContact O-CB 3.39Å; E71-A74 PolarHBondContact O-N 2.79Å; E71-C85 WeakPolarHBondContact O-CB 3.37Å; E71-R249 IonicContact OE1-CZ 3.22Å; E71-R249 IonicContact OE1-NE 2.96Å; E71-R249 PolarHBondContact OE1-NE 3.45Å; E71-R249 IonicContact OE1-NH1 3.81Å; E71-R249 PolarHBondContact OE1-NH1 3Å; E71-R249 IonicContact OE1-NH2 2.98Å; E71-R249 PolarHBondContact OE1-NH2 3.28Å
72P87.5Confident91Very high48 Ų4846.9 Ų46.931%0.31228%0.282SS..THydrogen-bonded Turntrans-56.2129.1173.1-21.831.8000111I61 A74 M92I61-P72 VanDerWaalsContact O-CD 3.25Å; I61-P72 WeakPolarHBondContact O-CD 3.27Å; P72-A74 PolarHBondContact O-N 2.77Å; P72-M92 HydrophobicContact CB-SD 4.34Å; P72-M92 HydrophobicContact CG-SD 3.77Å
73G85.2Confident91Very high27 Ų2748.5 Ų48.528%0.27829%0.288SS..THydrogen-bonded Turntrans82.1-12.3-175.100000114.5E71 C85E71-G73 PolarHBondContact O-N 2.93Å; G73-C85 PolarHBondContact N-O 2.89Å
74A87.3Confident91Very high36 Ų3649.2 Ų49.230%0.29829%0.291SS..  trans-74.7135.4173.500000110.4V70 E71 P72 M84 C85V70-A74 HydrophobicContact CG1-CB 4.01Å; E71-A74 HydrophobicContact CB-CB 4.08Å; E71-A74 WeakPolarHBondContact O-CB 3.39Å; E71-A74 PolarHBondContact O-N 2.79Å; P72-A74 PolarHBondContact O-N 2.77Å; A74-M84 WeakPolarHBondContact O-CA 3.49Å; A74-M84 WeakPolarHBondContact O-CG 3.45Å; A74-C85 PolarHBondContact O-N 3.03Å
75G87.6Confident90.9Very high21 Ų2148.1 Ų48.122%0.21629%0.286CS..EExtended strand (participates in β ladder)trans-115158.8178.900000112.5Y83G75-Y83 CarbonylContact C-O 3.56Å; G75-Y83 WeakPolarHBondContact CA-O 3.19Å
76F89.8Confident90.8Very high22 Ų2246.2 Ų46.210%0.09628%0.276CS..EExtended strand (participates in β ladder)trans-153.3152.9-179.558.9-87000109.9L65 V70 M78 Y83 I94L65-F76 HydrophobicContact CD2-CD2 4.22Å; L65-F76 HydrophobicContact CD2-CE2 3.55Å; L65-F76 HydrophobicContact CD2-CZ 3.86Å; V70-F76 HydrophobicContact CB-CE1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 3.85Å; V70-F76 HydrophobicContact CG1-CE1 3.89Å; V70-F76 HydrophobicContact CG2-CD1 4.05Å; V70-F76 HydrophobicContact CG2-CE1 3.83Å; F76-M78 HydrophobicContact CE2-CE 4.23Å; F76-Y83 HydrophobicContact CE2-CD2 4.24Å; F76-Y83 HydrophobicContact CE2-CG 4.14Å; F76-Y83 HydrophobicContact CZ-CG 4.28Å; F76-Y83 PolarHBondContact N-O 2.95Å; F76-Y83 PolarHBondContact O-N 2.92Å; F76-I94 HydrophobicContact CE1-CG2 4.22Å; F76-I94 HydrophobicContact CZ-CD1 4.17Å; F76-I94 HydrophobicContact CZ-CG2 3.65Å
77A92.3Very high90.4Very high39 Ų3947.9 Ų47.932%0.32227%0.269SS..EExtended strand (participates in β ladder)trans-88.7140.2173.400000110.7Y82 A100A77-Y82 HydrophobicContact CB-CD2 4.34Å; A77-A100 HydrophobicContact CB-CB 3.54Å
78M89.8Confident89.8Confident63 Ų6344 Ų4431%0.3125%0.248SC..EExtended strand (participates in β ladder)trans-138.7106166.4-179.7-175.9-64.500108.1L65 F76 K80 L81 Y83 F166L65-M78 HydrophobicContact CD1-CE 3.8Å; L65-M78 HydrophobicContact CD2-CE 3.48Å; L65-M78 VanDerWaalsContact CD2-CE 3.48Å; L65-M78 HydrophobicContact CG-CE 4.15Å; F76-M78 HydrophobicContact CE2-CE 4.23Å; M78-K80 PolarHBondContact O-N 3.16Å; M78-L81 PolarHBondContact N-O 3.42Å; M78-L81 PolarHBondContact O-N 2.04Å; M78-Y83 HydrophobicContact CB-CD2 3.89Å; M78-Y83 HydrophobicContact CB-CE2 3.78Å; M78-F166 HydrophobicContact CG-CD1 4.44Å; M78-F166 HydrophobicContact CG-CE1 4.1Å
79G92.4Very high88.9Confident30 Ų3051.6 Ų51.631%0.30928%0.278SS..THydrogen-bonded Turntrans63.2-131.2-173.100000112.3L81 F115G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 2.9Å; G79-F115 WeakPolarHBondContact O-CE2 3.42Å
80K95.7Very high87.8Confident49 Ų4946.3 Ų46.321%0.21326%0.263CS..THydrogen-bonded Turntrans-80.7-3-179.6-58.6175.6179.1-179.20113.2M78 C99 A100 Y113 F115 L120 A131 E160M78-K80 PolarHBondContact O-N 3.16Å; K80-C99 CarbonylContact O-C 3.55Å; K80-C99 VanDerWaalsContact O-CA 3.3Å; K80-C99 WeakPolarHBondContact O-CA 3.48Å; K80-C99 WeakPolarHBondContact O-CB 3.07Å; K80-A100 PolarHBondContact O-N 3.46Å; K80-Y113 PolarHBondContact O-OH 3.06Å; K80-F115 HydrophobicContact CG-CD1 4.27Å; K80-F115 HydrophobicContact CG-CE1 4.19Å; K80-F115 HydrophobicContact CG-CE2 4.42Å; K80-F115 HydrophobicContact CG-CG 4.43Å; K80-F115 HydrophobicContact CG-CZ 4.26Å; K80-L120 HydrophobicContact CB-CD1 4.46Å; K80-L120 HydrophobicContact CD-CD1 3.81Å; K80-L120 HydrophobicContact CG-CD1 4.06Å; K80-A131 HydrophobicContact CB-CB 3.67Å; K80-A131 HydrophobicContact CD-CB 4.18Å; K80-A131 HydrophobicContact CG-CB 4.5Å; K80-E160 IonicContact NZ-OE1 3.98Å
81L96.5Very high87.4Confident34 Ų3450.3 Ų50.318%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-116.4146.2-173.4-64.2-178.6000111.8M78 G79 Y83 A100 I129M78-L81 PolarHBondContact N-O 3.42Å; M78-L81 PolarHBondContact O-N 2.04Å; G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 2.9Å; L81-Y83 HydrophobicContact CB-CD2 4.27Å; L81-Y83 HydrophobicContact CB-CE2 3.52Å; L81-Y83 WeakPolarHBondContact CD1-OH 3.36Å; L81-A100 WeakPolarHBondContact O-CB 3.29Å; L81-I129 HydrophobicContact CD2-CG2 4.02Å
82Y96.5Very high87.3Confident27 Ų2747.4 Ų47.411%0.10627%0.271CS..EExtended strand (participates in β ladder)trans-109121.1175.2-165.8-82.4000109.3A77 A96 I97 G98 C99 A100 G104 R106A77-Y82 HydrophobicContact CB-CD2 4.34Å; Y82-A96 WeakPolarHBondContact O-CA 3.26Å; Y82-I97 HydrophobicContact CD1-CD1 3.97Å; Y82-I97 HydrophobicContact CD1-CG1 3.79Å; Y82-I97 HydrophobicContact CE1-CD1 4.08Å; Y82-I97 HydrophobicContact CE1-CG1 4.4Å; Y82-I97 PolarHBondContact O-N 2.8Å; Y82-G98 PolarHBondContact N-O 3.14Å; Y82-G98 PolarHBondContact O-N 3.47Å; Y82-C99 WeakPolarHBondContact CB-O 3.49Å; Y82-A100 HydrophobicContact CD2-CB 4.43Å; Y82-G104 VanDerWaalsContact CE2-O 3.31Å; Y82-G104 WeakPolarHBondContact CE2-O 3.4Å; Y82-R106 HydrophobicContact CD1-CB 3.9Å; Y82-R106 HydrophobicContact CD1-CG 3.82Å; Y82-R106 HydrophobicContact CD2-CB 3.74Å; Y82-R106 HydrophobicContact CD2-CG 4.39Å; Y82-R106 HydrophobicContact CE1-CB 4.04Å; Y82-R106 HydrophobicContact CE1-CG 4.27Å; Y82-R106 HydrophobicContact CE2-CB 3.9Å; Y82-R106 HydrophobicContact CG-CB 3.74Å; Y82-R106 HydrophobicContact CG-CG 3.87Å
83Y93.5Very high87.4Confident56 Ų5646.4 Ų46.422%0.2227%0.268CS..EExtended strand (participates in β ladder)trans-105.8160.1-176.8-65.8-95.2000110.9G75 F76 M78 L81 I94 R95 A96G75-Y83 CarbonylContact C-O 3.56Å; G75-Y83 WeakPolarHBondContact CA-O 3.19Å; F76-Y83 HydrophobicContact CE2-CD2 4.24Å; F76-Y83 HydrophobicContact CE2-CG 4.14Å; F76-Y83 HydrophobicContact CZ-CG 4.28Å; F76-Y83 PolarHBondContact N-O 2.95Å; F76-Y83 PolarHBondContact O-N 2.92Å; M78-Y83 HydrophobicContact CB-CD2 3.89Å; M78-Y83 HydrophobicContact CB-CE2 3.78Å; L81-Y83 HydrophobicContact CB-CD2 4.27Å; L81-Y83 HydrophobicContact CB-CE2 3.52Å; L81-Y83 WeakPolarHBondContact CD1-OH 3.36Å; Y83-I94 HydrophobicContact CD1-CG2 3.81Å; Y83-I94 HydrophobicContact CG-CG2 4.2Å; Y83-R95 CarbonylContact C-O 3.42Å; Y83-R95 VanDerWaalsContact CA-O 3.29Å; Y83-R95 WeakPolarHBondContact CA-O 3.44Å; Y83-A96 HydrophobicContact CD1-CB 4.15Å; Y83-A96 HydrophobicContact CE1-CB 3.99Å
84M92.9Very high87.7Confident16 Ų1647.5 Ų47.58%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-144.3139.8172.1-176.9174.776.100109.6A74 S86 I94 R95 I97A74-M84 WeakPolarHBondContact O-CA 3.49Å; A74-M84 WeakPolarHBondContact O-CG 3.45Å; M84-S86 PolarHBondContact O-N 2.92Å; M84-S86 VanDerWaalsContact O-N 3.16Å; M84-I94 WeakPolarHBondContact O-CA 3.33Å; M84-R95 PolarHBondContact N-O 3.16Å; M84-R95 PolarHBondContact O-N 2.8Å; M84-I97 HydrophobicContact CB-CD1 3.49Å; M84-I97 VanDerWaalsContact CB-CD1 3.49Å; M84-I97 HydrophobicContact CB-CG1 3.94Å; M84-I97 HydrophobicContact CB-CG2 4.04Å; M84-I97 HydrophobicContact CE-CD1 4.15Å; M84-I97 HydrophobicContact CE-CG2 4.18Å; M84-I97 HydrophobicContact CG-CD1 4.16Å; M84-I97 HydrophobicContact SD-CD1 3.7Å
85C91.4Very high87.9Confident0 Ų050.7 Ų50.70%027%0.272CS..EExtended strand (participates in β ladder)trans-72.5103.9164.6-179.90000107.6C63 V70 E71 G73 A74C63-C85 HydrophobicContact CB-CB 3.58Å; C63-C85 WeakPolarHBondContact CB-SG 3.08Å; C63-C85 PolarHBondContact N-SG 2.88Å; C63-C85 WeakPolarHBondContact SG-CA 3.41Å; C63-C85 WeakPolarHBondContact SG-CB 3.47Å; C63-C85 CovalentContact SG-SG 2.03Å; C63-C85 PolarHBondContact SG-SG 2.05Å; V70-C85 HydrophobicContact CB-CB 4.06Å; V70-C85 HydrophobicContact CG1-CB 3.63Å; E71-C85 WeakPolarHBondContact O-CB 3.37Å; G73-C85 PolarHBondContact N-O 2.89Å; A74-C85 PolarHBondContact O-N 3.03Å
86S87.1Confident88.2Confident10 Ų1051.2 Ų51.27%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-109142-175.2-161.90000111.8M84 M92 G93 R95M84-S86 PolarHBondContact O-N 2.92Å; M84-S86 VanDerWaalsContact O-N 3.16Å; S86-M92 CarbonylContact O-C 3.43Å; S86-M92 VanDerWaalsContact O-CA 3.22Å; S86-M92 WeakPolarHBondContact O-CA 3.27Å; S86-G93 PolarHBondContact N-O 2.9Å; S86-G93 PolarHBondContact O-N 2.85Å; S86-R95 PolarHBondContact OG-NE 2.87Å; S86-R95 PolarHBondContact OG-NH2 3.28Å
87L81.5Confident88.4Confident104 Ų10451.1 Ų51.155%0.54527%0.274SS..EExtended strand (participates in β ladder)trans-101.9122.7169.3-171.870.2000108.8P60 M92P60-L87 HydrophobicContact CG-CD1 3.96Å; L87-M92 HydrophobicContact CD1-CB 3.96Å; L87-M92 HydrophobicContact CD1-CG 4.39Å
88D79.7Confident88.6Confident80 Ų8049.2 Ų49.243%0.42826%0.259SS..EExtended strand (participates in β ladder)trans-136.1114.6-177.7-169.47.9000110.8S90 N91 R95D88-S90 PolarHBondContact O-N 3.27Å; D88-N91 PolarHBondContact N-O 3.08Å; D88-N91 PolarHBondContact O-N 3.29Å; D88-R95 IonicContact OD2-NH1 3.15Å; D88-R95 PolarHBondContact OD2-NH1 2.9Å
89E69.5Low89Confident192 Ų19246.2 Ų46.290%0.89724%0.244SC*.THydrogen-bonded Turntrans47.7-53.2-177-65.8-175.3167.700117.2
90S69.4Low89.2Confident30 Ų3044.8 Ų44.821%0.2123%0.229CC..THydrogen-bonded Turntrans-152.33.5171.855.40000114.3M1 D88M1-S90 WeakPolarHBondContact CA-OG 3.41Å; M1-S90 PolarHBondContact N-OG 2.99Å; D88-S90 PolarHBondContact O-N 3.27Å
91N79.9Confident89.2Confident101 Ų10143.8 Ų43.854%0.5423%0.228SC..EExtended strand (participates in β ladder)trans-115.7131.9-176.1-64.7-37.7000109.3D88D88-N91 PolarHBondContact N-O 3.08Å; D88-N91 PolarHBondContact O-N 3.29Å
92M87.4Confident89.1Confident11 Ų1146 Ų465%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-104.3146.5166.7-166171.268.500108.6I43 P60 F62 P72 S86 L87I43-M92 HydrophobicContact CB-CE 4.39Å; I43-M92 WeakPolarHBondContact CD1-O 3.23Å; I43-M92 HydrophobicContact CG1-CE 4.49Å; I43-M92 HydrophobicContact CG2-CE 3.34Å; P60-M92 HydrophobicContact CB-CB 3.75Å; P60-M92 HydrophobicContact CB-CE 3.52Å; P60-M92 HydrophobicContact CB-CG 4.44Å; P60-M92 HydrophobicContact CB-SD 3.88Å; P60-M92 HydrophobicContact CG-CB 4.16Å; F62-M92 WeakPolarHBondContact O-CE 3.36Å; P72-M92 HydrophobicContact CB-SD 4.34Å; P72-M92 HydrophobicContact CG-SD 3.77Å; S86-M92 CarbonylContact O-C 3.43Å; S86-M92 VanDerWaalsContact O-CA 3.22Å; S86-M92 WeakPolarHBondContact O-CA 3.27Å; L87-M92 HydrophobicContact CD1-CB 3.96Å; L87-M92 HydrophobicContact CD1-CG 4.39Å
93G91.2Very high89Confident26 Ų2650.2 Ų50.227%0.26827%0.266SS..EExtended strand (participates in β ladder)trans-177.9161.317600000113.1C63 S86C63-G93 VanDerWaalsContact SG-C 3.57Å; S86-G93 PolarHBondContact N-O 2.9Å; S86-G93 PolarHBondContact O-N 2.85Å
94I90.3Very high89Confident50 Ų5048.2 Ų48.226%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-80.2122.7174.3-60.6179.3000108.1C63 L65 F76 Y83 M84C63-I94 HydrophobicContact CB-CD1 3.97Å; C63-I94 HydrophobicContact CB-CG1 3.5Å; L65-I94 HydrophobicContact CB-CD1 3.99Å; L65-I94 HydrophobicContact CD1-CD1 4.28Å; F76-I94 HydrophobicContact CE1-CG2 4.22Å; F76-I94 HydrophobicContact CZ-CD1 4.17Å; F76-I94 HydrophobicContact CZ-CG2 3.65Å; Y83-I94 HydrophobicContact CD1-CG2 3.81Å; Y83-I94 HydrophobicContact CG-CG2 4.2Å; M84-I94 WeakPolarHBondContact O-CA 3.33Å
95R92.4Very high89.1Confident103 Ų10353.1 Ų53.139%0.38928%0.284SS..EExtended strand (participates in β ladder)trans-134.8144.8176.764.5-172.4-173.5-161.18.3111.5Y83 M84 S86 D88 I97Y83-R95 CarbonylContact C-O 3.42Å; Y83-R95 VanDerWaalsContact CA-O 3.29Å; Y83-R95 WeakPolarHBondContact CA-O 3.44Å; M84-R95 PolarHBondContact N-O 3.16Å; M84-R95 PolarHBondContact O-N 2.8Å; S86-R95 PolarHBondContact OG-NE 2.87Å; S86-R95 PolarHBondContact OG-NH2 3.28Å; D88-R95 IonicContact OD2-NH1 3.15Å; D88-R95 PolarHBondContact OD2-NH1 2.9Å; R95-I97 HydrophobicContact CG-CG2 3.91Å; R95-I97 PolarHBondContact O-N 2.84Å
96A94Very high89.3Confident32 Ų3259 Ų5926%0.26431%0.306SS..EExtended strand (participates in β ladder)trans-66.1130.1169.400000108.9Y82 Y83 I129Y82-A96 WeakPolarHBondContact O-CA 3.26Å; Y83-A96 HydrophobicContact CD1-CB 4.15Å; Y83-A96 HydrophobicContact CE1-CB 3.99Å; A96-I129 HydrophobicContact CB-CB 4.2Å; A96-I129 HydrophobicContact CB-CD1 4.48Å; A96-I129 WeakPolarHBondContact O-CD1 3.48Å
97I94Very high89.7Confident20 Ų2059 Ų5910%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-125.20.1178.863.4161.7000113.3Y82 M84 R95 R106Y82-I97 HydrophobicContact CD1-CD1 3.97Å; Y82-I97 HydrophobicContact CD1-CG1 3.79Å; Y82-I97 HydrophobicContact CE1-CD1 4.08Å; Y82-I97 HydrophobicContact CE1-CG1 4.4Å; Y82-I97 PolarHBondContact O-N 2.8Å; M84-I97 HydrophobicContact CB-CD1 3.49Å; M84-I97 VanDerWaalsContact CB-CD1 3.49Å; M84-I97 HydrophobicContact CB-CG1 3.94Å; M84-I97 HydrophobicContact CB-CG2 4.04Å; M84-I97 HydrophobicContact CE-CD1 4.15Å; M84-I97 HydrophobicContact CE-CG2 4.18Å; M84-I97 HydrophobicContact CG-CD1 4.16Å; M84-I97 HydrophobicContact SD-CD1 3.7Å; R95-I97 HydrophobicContact CG-CG2 3.91Å; R95-I97 PolarHBondContact O-N 2.84Å; I97-R106 PolarHBondContact O-NE 3.39Å; I97-R106 PolarHBondContact O-NH2 3.24Å
98G96.1Very high90.4Very high0 Ų059.5 Ų59.50%031%0.305CS..EExtended strand (participates in β ladder)trans-179.1-170.3174.700000110.7Y82 V107Y82-G98 PolarHBondContact N-O 3.14Å; Y82-G98 PolarHBondContact O-N 3.47Å; G98-V107 CarbonylContact C-O 3.58Å; G98-V107 VanDerWaalsContact CA-O 3.26Å; G98-V107 WeakPolarHBondContact CA-O 3.39Å
99C98.1Very high91.2Very high0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-98.5165.6168.9-55.50000109.6K80 Y82 V107 Y113 C122K80-C99 CarbonylContact O-C 3.55Å; K80-C99 VanDerWaalsContact O-CA 3.3Å; K80-C99 WeakPolarHBondContact O-CA 3.48Å; K80-C99 WeakPolarHBondContact O-CB 3.07Å; Y82-C99 WeakPolarHBondContact CB-O 3.49Å; C99-V107 HydrophobicContact CB-CB 4.21Å; C99-V107 PolarHBondContact N-O 3.45Å; C99-V107 PolarHBondContact O-N 2.86Å; C99-Y113 HydrophobicContact CB-CD1 4.39Å; C99-Y113 HydrophobicContact CB-CE1 3.51Å; C99-Y113 HydrophobicContact CB-CE2 4.35Å; C99-Y113 VanDerWaalsContact CB-CZ 3.49Å; C99-Y113 WeakPolarHBondContact CB-OH 3.48Å; C99-C122 HydrophobicContact CB-CB 3.66Å; C99-C122 WeakPolarHBondContact CB-SG 3.47Å; C99-C122 PolarHBondContact N-SG 3.29Å; C99-C122 WeakPolarHBondContact SG-CA 3.12Å; C99-C122 WeakPolarHBondContact SG-CB 3.3Å; C99-C122 CovalentContact SG-SG 2.04Å; C99-C122 PolarHBondContact SG-SG 2.68Å
100A96.3Very high92.5Very high0 Ų051.5 Ų51.50%028%0.284CS..EExtended strand (participates in β ladder)trans-120.5137-179.300000110.7A77 K80 L81 Y82 K105 Y113 F115A77-A100 HydrophobicContact CB-CB 3.54Å; K80-A100 PolarHBondContact O-N 3.46Å; L81-A100 WeakPolarHBondContact O-CB 3.29Å; Y82-A100 HydrophobicContact CD2-CB 4.43Å; A100-K105 WeakPolarHBondContact CA-O 3Å; A100-Y113 WeakPolarHBondContact O-CE2 3.39Å; A100-F115 VanDerWaalsContact O-CD2 3.25Å; A100-F115 WeakPolarHBondContact O-CD2 3.39Å
101T96Very high93.9Very high28 Ų2854.3 Ų54.317%0.17229%0.294CS..  trans-74.9170.1165690000110.5D103 G104 K105 V107 Y113T101-D103 PolarHBondContact O-N 2.72Å; T101-G104 WeakPolarHBondContact O-CA 3.49Å; T101-G104 PolarHBondContact O-N 2.94Å; T101-K105 HydrophobicContact CG2-CB 4.36Å; T101-K105 PolarHBondContact N-O 2.9Å; T101-K105 WeakPolarHBondContact OG1-CB 3.5Å; T101-K105 PolarHBondContact OG1-N 3.47Å; T101-V107 HydrophobicContact CG2-CG2 3.59Å; T101-Y113 HydrophobicContact CG2-CD2 4.26Å
102V93.5Very high94.7Very high79 Ų7956 Ų5648%0.47930%0.297SS..THydrogen-bonded Turntrans-55.4-39.4174.9-1760000111.7G104 F115 N116V102-G104 PolarHBondContact O-N 2.91Å; V102-G104 VanDerWaalsContact O-N 3.1Å; V102-F115 HydrophobicContact CG2-CD1 4.5Å; V102-F115 HydrophobicContact CG2-CD2 4.11Å; V102-F115 HydrophobicContact CG2-CE2 4.39Å; V102-F115 HydrophobicContact CG2-CG 4.17Å; V102-N116 WeakPolarHBondContact CG2-OD1 3.31Å
103D94.5Very high95.1Very high116 Ų11656.2 Ų56.262%0.6230%0.297SS*.THydrogen-bonded Turntrans-75.17.1177.8-49-33.1000113.9T101 K105T101-D103 PolarHBondContact O-N 2.72Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 HydrophobicContact CB-CG 4.49Å; D103-K105 PolarHBondContact O-N 2.7Å
104G93Very high95.3Very high15 Ų1561.9 Ų61.916%0.15531%0.31CS..  trans75.713.5-179.700000114.9Y82 T101 V102Y82-G104 VanDerWaalsContact CE2-O 3.31Å; Y82-G104 WeakPolarHBondContact CE2-O 3.4Å; T101-G104 WeakPolarHBondContact O-CA 3.49Å; T101-G104 PolarHBondContact O-N 2.94Å; V102-G104 PolarHBondContact O-N 2.91Å; V102-G104 VanDerWaalsContact O-N 3.1Å
105K95.2Very high95.5Very high118 Ų11860.5 Ų60.551%0.51330%0.303SS..  trans-77.7141.3178.2-61.4179.6-177168.10110.9A100 T101 D103A100-K105 WeakPolarHBondContact CA-O 3Å; T101-K105 HydrophobicContact CG2-CB 4.36Å; T101-K105 PolarHBondContact N-O 2.9Å; T101-K105 WeakPolarHBondContact OG1-CB 3.5Å; T101-K105 PolarHBondContact OG1-N 3.47Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 HydrophobicContact CB-CG 4.49Å; D103-K105 PolarHBondContact O-N 2.7Å
106R96.1Very high95.4Very high123 Ų12360 Ų6046%0.46431%0.307SS..EExtended strand (participates in β ladder)trans-71.7131.7175.5-176.1-179.2173.8-161-1.4111.5Y82 I97Y82-R106 HydrophobicContact CD1-CB 3.9Å; Y82-R106 HydrophobicContact CD1-CG 3.82Å; Y82-R106 HydrophobicContact CD2-CB 3.74Å; Y82-R106 HydrophobicContact CD2-CG 4.39Å; Y82-R106 HydrophobicContact CE1-CB 4.04Å; Y82-R106 HydrophobicContact CE1-CG 4.27Å; Y82-R106 HydrophobicContact CE2-CB 3.9Å; Y82-R106 HydrophobicContact CG-CB 3.74Å; Y82-R106 HydrophobicContact CG-CG 3.87Å; I97-R106 PolarHBondContact O-NE 3.39Å; I97-R106 PolarHBondContact O-NH2 3.24Å
107V96.5Very high95.1Very high10 Ų1063.5 Ų63.56%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-111.8131.5170-179.30000108.3G98 C99 T101 Q111 Y113 C122G98-V107 CarbonylContact C-O 3.58Å; G98-V107 VanDerWaalsContact CA-O 3.26Å; G98-V107 WeakPolarHBondContact CA-O 3.39Å; C99-V107 HydrophobicContact CB-CB 4.21Å; C99-V107 PolarHBondContact N-O 3.45Å; C99-V107 PolarHBondContact O-N 2.86Å; T101-V107 HydrophobicContact CG2-CG2 3.59Å; V107-Q111 HydrophobicContact CG1-CB 3.65Å; V107-Y113 HydrophobicContact CB-CD1 4.22Å; V107-Y113 HydrophobicContact CB-CG 4.26Å; V107-Y113 HydrophobicContact CG1-CD1 3.72Å; V107-Y113 HydrophobicContact CG1-CE1 4.46Å; V107-Y113 HydrophobicContact CG1-CG 4.01Å; V107-Y113 HydrophobicContact CG2-CD1 4.22Å; V107-Y113 HydrophobicContact CG2-CD2 4.05Å; V107-Y113 HydrophobicContact CG2-CG 3.75Å; V107-C122 HydrophobicContact CG1-CB 4.11Å
108Q96.5Very high95.1Very high115 Ų11562.8 Ų62.854%0.53732%0.318SS..  trans-78.4150.2-179.3-59.4-170.228.100111.2G110 Q111Q108-G110 PolarHBondContact O-N 2.84Å; Q108-Q111 HydrophobicContact CB-CG 4.34Å; Q108-Q111 WeakPolarHBondContact O-CB 3Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-Q111 VanDerWaalsContact O-N 3.14Å
109P96.2Very high95.1Very high51 Ų5163 Ų6333%0.33132%0.32SS..THydrogen-bonded Turntrans-51.8140.1167.7-2534.8000111.6C122 M124 I129P109-C122 CarbonylContact C-O 3.51Å; P109-M124 HydrophobicContact CB-CG 4.06Å; P109-M124 HydrophobicContact CG-CG 4.4Å; P109-M124 HydrophobicContact CG-SD 4.32Å; P109-I129 HydrophobicContact CG-CD1 4.16Å; P109-I129 HydrophobicContact CG-CG1 4.41Å
110G96.6Very high95.1Very high54 Ų5463 Ų6356%0.55732%0.32SS*.THydrogen-bonded Turntrans93.5-16.5-172.700000114.4Q108 H121 C122Q108-G110 PolarHBondContact O-N 2.84Å; G110-H121 VanDerWaalsContact C-NE2 3.33Å; G110-H121 PolarHBondContact O-NE2 3.21Å; G110-C122 PolarHBondContact N-O 2.7Å
111Q98.1Very high95.1Very high88 Ų8865.6 Ų65.641%0.41133%0.332SS..  trans-94.9142.7-175.3-60.3-177-46.800113.2V107 Q108 H121 C122V107-Q111 HydrophobicContact CG1-CB 3.65Å; Q108-Q111 HydrophobicContact CB-CG 4.34Å; Q108-Q111 WeakPolarHBondContact O-CB 3Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-Q111 VanDerWaalsContact O-N 3.14Å; Q111-H121 PolarHBondContact O-CD2 3.29Å; Q111-C122 PolarHBondContact O-N 3.24Å
112K97.2Very high95.2Very high137 Ų13764.3 Ų64.360%0.59632%0.324SS*.EExtended strand (participates in β ladder)trans-84.7145.9167.8-62.7178.9-178.3-179.50109.8L120 I134 I142K112-L120 CarbonylContact C-O 3.44Å; K112-L120 VanDerWaalsContact CA-O 3.28Å; K112-L120 WeakPolarHBondContact CA-O 3.14Å; K112-I134 HydrophobicContact CD-CD1 3.72Å; K112-I134 HydrophobicContact CG-CD1 3.95Å; K112-I142 HydrophobicContact CD-CD1 4.5Å
113Y96.5Very high95.4Very high15 Ų1564.5 Ų64.56%0.05932%0.32CS..EExtended strand (participates in β ladder)trans-153.2160.7178.568.6-76.4000111.3K80 C99 A100 T101 V107 F115 L120 C122 A131K80-Y113 PolarHBondContact O-OH 3.06Å; C99-Y113 HydrophobicContact CB-CD1 4.39Å; C99-Y113 HydrophobicContact CB-CE1 3.51Å; C99-Y113 HydrophobicContact CB-CE2 4.35Å; C99-Y113 VanDerWaalsContact CB-CZ 3.49Å; C99-Y113 WeakPolarHBondContact CB-OH 3.48Å; A100-Y113 WeakPolarHBondContact O-CE2 3.39Å; T101-Y113 HydrophobicContact CG2-CD2 4.26Å; V107-Y113 HydrophobicContact CB-CD1 4.22Å; V107-Y113 HydrophobicContact CB-CG 4.26Å; V107-Y113 HydrophobicContact CG1-CD1 3.72Å; V107-Y113 HydrophobicContact CG1-CE1 4.46Å; V107-Y113 HydrophobicContact CG1-CG 4.01Å; V107-Y113 HydrophobicContact CG2-CD1 4.22Å; V107-Y113 HydrophobicContact CG2-CD2 4.05Å; V107-Y113 HydrophobicContact CG2-CG 3.75Å; Y113-F115 HydrophobicContact CE2-CB 4.1Å; Y113-F115 HydrophobicContact CE2-CD2 4.23Å; Y113-L120 HydrophobicContact CD1-CB 4.14Å; Y113-L120 HydrophobicContact CE1-CB 3.59Å; Y113-L120 HydrophobicContact CE2-CB 4.16Å; Y113-L120 HydrophobicContact CE2-CD1 3.91Å; Y113-L120 HydrophobicContact CE2-CG 4.48Å; Y113-L120 PolarHBondContact N-O 3.39Å; Y113-L120 PolarHBondContact O-N 2.75Å; Y113-L120 VanDerWaalsContact OH-CD1 3.31Å; Y113-L120 WeakPolarHBondContact OH-CD1 3.23Å; Y113-C122 HydrophobicContact CD1-CB 4.37Å; Y113-C122 HydrophobicContact CE1-CB 4.03Å; Y113-A131 WeakPolarHBondContact OH-CB 3.5Å
114R94Very high95.6Very high145 Ų14563.6 Ų63.655%0.54731%0.313SS..EExtended strand (participates in β ladder)trans-92.4139.1174.5-67.7-177.2-179.1169.3-3.9110.6S118 D137R114-S118 WeakPolarHBondContact CA-O 3.25Å; R114-D137 VanDerWaalsContact CZ-CG 3.46Å; R114-D137 IonicContact CZ-OD1 3.67Å; R114-D137 IonicContact CZ-OD2 3.03Å; R114-D137 VanDerWaalsContact NE-CG 3.29Å; R114-D137 IonicContact NE-OD1 3.94Å; R114-D137 IonicContact NE-OD2 2.68Å; R114-D137 PolarHBondContact NE-OD2 2.83Å; R114-D137 IonicContact NH2-OD1 2.99Å; R114-D137 PolarHBondContact NH2-OD1 3.41Å; R114-D137 IonicContact NH2-OD2 2.67Å; R114-D137 PolarHBondContact NH2-OD2 2.81Å
115F94.5Very high95.7Very high22 Ų2264.5 Ų64.510%0.09632%0.319CS..EExtended strand (participates in β ladder)trans-137105.7171.3-163.4-85.9000107.8G79 K80 A100 V102 Y113 N117 S118 L120G79-F115 WeakPolarHBondContact O-CE2 3.42Å; K80-F115 HydrophobicContact CG-CD1 4.27Å; K80-F115 HydrophobicContact CG-CE1 4.19Å; K80-F115 HydrophobicContact CG-CE2 4.42Å; K80-F115 HydrophobicContact CG-CG 4.43Å; K80-F115 HydrophobicContact CG-CZ 4.26Å; A100-F115 VanDerWaalsContact O-CD2 3.25Å; A100-F115 WeakPolarHBondContact O-CD2 3.39Å; V102-F115 HydrophobicContact CG2-CD1 4.5Å; V102-F115 HydrophobicContact CG2-CD2 4.11Å; V102-F115 HydrophobicContact CG2-CE2 4.39Å; V102-F115 HydrophobicContact CG2-CG 4.17Å; Y113-F115 HydrophobicContact CE2-CB 4.1Å; Y113-F115 HydrophobicContact CE2-CD2 4.23Å; F115-N117 PolarHBondContact O-N 2.79Å; F115-S118 PolarHBondContact N-O 3.47Å; F115-S118 WeakPolarHBondContact O-CB 3.42Å; F115-S118 PolarHBondContact O-N 2.78Å; F115-L120 HydrophobicContact CB-CD1 3.54Å; F115-L120 HydrophobicContact CB-CG 4.17Å; F115-L120 HydrophobicContact CG-CD1 4.14Å
116N90.7Very high95.7Very high92 Ų9266.8 Ų66.849%0.49234%0.337SS..THydrogen-bonded Turntrans53.2-127.7-163.8-55.9-30.2000110.4V102 S118V102-N116 WeakPolarHBondContact CG2-OD1 3.31Å; N116-S118 VanDerWaalsContact C-N 3.28Å
117N88.4Confident95.4Very high106 Ų10664.2 Ų64.257%0.56735%0.348SS*.THydrogen-bonded Turntrans-88.21.7179.5-62.74.7000112.8F115 C136 D137F115-N117 PolarHBondContact O-N 2.79Å; N117-C136 WeakPolarHBondContact O-CA 3.32Å; N117-D137 PolarHBondContact O-N 2.79Å; N117-D137 VanDerWaalsContact O-N 3.14Å
118S93.9Very high95.3Very high4 Ų470.9 Ų70.93%0.02838%0.376CS..EExtended strand (participates in β ladder)trans-96.5140.8-178.7-63.40000111.2R114 F115 N116 F133 D161R114-S118 WeakPolarHBondContact CA-O 3.25Å; F115-S118 PolarHBondContact N-O 3.47Å; F115-S118 WeakPolarHBondContact O-CB 3.42Å; F115-S118 PolarHBondContact O-N 2.78Å; N116-S118 VanDerWaalsContact C-N 3.28Å; S118-F133 WeakPolarHBondContact OG-CE2 3.4Å; S118-D161 PolarHBondContact OG-OD2 2.78Å
119T95.9Very high95.3Very high6 Ų666.4 Ų66.44%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-98.2126.7163.7-550000109.2I134 G135 I142T119-I134 HydrophobicContact CG2-CD1 3.74Å; T119-I134 HydrophobicContact CG2-CG1 3.85Å; T119-I134 WeakPolarHBondContact O-CG1 3.24Å; T119-I134 PolarHBondContact O-N 3.17Å; T119-G135 PolarHBondContact N-O 2.75Å; T119-G135 PolarHBondContact O-N 2.8Å; T119-I142 HydrophobicContact CG2-CD1 3.81Å; T119-I142 HydrophobicContact CG2-CG1 4.2Å
120L97.1Very high95.4Very high0 Ų066.4 Ų66.40%036%0.355CS..EExtended strand (participates in β ladder)trans-117.6152.1-178.7-52.9-179.1000110K80 K112 Y113 F115 A131 V132 F133K80-L120 HydrophobicContact CB-CD1 4.46Å; K80-L120 HydrophobicContact CD-CD1 3.81Å; K80-L120 HydrophobicContact CG-CD1 4.06Å; K112-L120 CarbonylContact C-O 3.44Å; K112-L120 VanDerWaalsContact CA-O 3.28Å; K112-L120 WeakPolarHBondContact CA-O 3.14Å; Y113-L120 HydrophobicContact CD1-CB 4.14Å; Y113-L120 HydrophobicContact CE1-CB 3.59Å; Y113-L120 HydrophobicContact CE2-CB 4.16Å; Y113-L120 HydrophobicContact CE2-CD1 3.91Å; Y113-L120 HydrophobicContact CE2-CG 4.48Å; Y113-L120 PolarHBondContact N-O 3.39Å; Y113-L120 PolarHBondContact O-N 2.75Å; Y113-L120 VanDerWaalsContact OH-CD1 3.31Å; Y113-L120 WeakPolarHBondContact OH-CD1 3.23Å; F115-L120 HydrophobicContact CB-CD1 3.54Å; F115-L120 HydrophobicContact CB-CG 4.17Å; F115-L120 HydrophobicContact CG-CD1 4.14Å; L120-A131 HydrophobicContact CD1-CB 4.24Å; L120-V132 CarbonylContact C-O 3.58Å; L120-V132 VanDerWaalsContact CA-O 3.23Å; L120-V132 WeakPolarHBondContact CA-O 3.42Å; L120-F133 HydrophobicContact CD2-CB 3.98Å; L120-F133 HydrophobicContact CD2-CD2 3.88Å; L120-F133 HydrophobicContact CD2-CG 4.38Å
121H97.8Very high95.4Very high54 Ų5464.9 Ų64.925%0.2534%0.337CS..EExtended strand (participates in β ladder)trans-109.5122.6168.8-171.9-158.1000109G110 Q111 Q123 V132 I134G110-H121 VanDerWaalsContact C-NE2 3.33Å; G110-H121 PolarHBondContact O-NE2 3.21Å; Q111-H121 PolarHBondContact O-CD2 3.29Å; H121-Q123 PolarHBondContact O-N 2.72Å; H121-V132 PolarHBondContact N-O 2.76Å; H121-V132 PolarHBondContact O-N 2.91Å; H121-I134 HydrophobicContact CB-CD1 4.49Å; H121-I134 HydrophobicContact CB-CG2 3.85Å
122C98.3Very high95.3Very high0 Ų063.2 Ų63.20%033%0.333CS..EExtended strand (participates in β ladder)trans-78.9118.3174.8-162.90000109.7C99 V107 P109 G110 Q111 Y113C99-C122 HydrophobicContact CB-CB 3.66Å; C99-C122 WeakPolarHBondContact CB-SG 3.47Å; C99-C122 PolarHBondContact N-SG 3.29Å; C99-C122 WeakPolarHBondContact SG-CA 3.12Å; C99-C122 WeakPolarHBondContact SG-CB 3.3Å; C99-C122 CovalentContact SG-SG 2.04Å; C99-C122 PolarHBondContact SG-SG 2.68Å; V107-C122 HydrophobicContact CG1-CB 4.11Å; P109-C122 CarbonylContact C-O 3.51Å; G110-C122 PolarHBondContact N-O 2.7Å; Q111-C122 PolarHBondContact O-N 3.24Å; Y113-C122 HydrophobicContact CD1-CB 4.37Å; Y113-C122 HydrophobicContact CE1-CB 4.03Å
123Q97.3Very high95.3Very high84 Ų8458 Ų5839%0.39331%0.31SS..EExtended strand (participates in β ladder)trans-133.2150.9-172-179.9173.23.300111.9H121 I129 V130 V132H121-Q123 PolarHBondContact O-N 2.72Å; Q123-I129 WeakPolarHBondContact O-CA 3.47Å; Q123-V130 HydrophobicContact CB-CG2 4.2Å; Q123-V130 PolarHBondContact N-O 2.76Å; Q123-V130 WeakPolarHBondContact O-CG2 3.25Å; Q123-V130 PolarHBondContact O-N 3.2Å; Q123-V132 HydrophobicContact CB-CG2 4.25Å
124M97.1Very high95.3Very high97 Ų9759.7 Ų59.748%0.47832%0.32SS..EExtended strand (participates in β ladder)trans-87.3118.8162-67.6-64.1-64.900109.2P109 K128 I129P109-M124 HydrophobicContact CB-CG 4.06Å; P109-M124 HydrophobicContact CG-CG 4.4Å; P109-M124 HydrophobicContact CG-SD 4.32Å; M124-K128 CarbonylContact C-O 3.54Å; M124-K128 VanDerWaalsContact CA-O 3.32Å; M124-K128 WeakPolarHBondContact CA-O 3.02Å; M124-I129 HydrophobicContact CE-CG1 4.45Å; M124-I129 HydrophobicContact SD-CB 4.44Å; M124-I129 HydrophobicContact SD-CD1 4.16Å; M124-I129 HydrophobicContact SD-CG1 3.31Å; M124-I129 WeakPolarHBondContact SD-CG1 3.49Å
125A95.7Very high95.4Very high33 Ų3352.8 Ų52.827%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-129.1126.7173.700000108.9G127 K128 V130A125-G127 PolarHBondContact O-N 2.94Å; A125-K128 PolarHBondContact N-O 2.77Å; A125-K128 WeakPolarHBondContact O-CA 3.48Å; A125-K128 WeakPolarHBondContact O-CB 3.39Å; A125-K128 PolarHBondContact O-N 3.17Å; A125-K128 VanDerWaalsContact O-O 3.12Å; A125-V130 HydrophobicContact CB-CG1 4.42Å; A125-V130 HydrophobicContact CB-CG2 3.69Å
126D94.5Very high95.4Very high167 Ų16752 Ų5289%0.89329%0.291SS*.THydrogen-bonded Turntrans49.742.1-179.1-54-36.6000113.8K128D126-K128 PolarHBondContact O-N 2.78Å
127G91.4Very high95.5Very high68 Ų6849.3 Ų49.370%0.70128%0.276SS*.THydrogen-bonded Turntrans72.46.8-178.500000115A125A125-G127 PolarHBondContact O-N 2.94Å
128K93.9Very high95.5Very high151 Ų15146.7 Ų46.766%0.65726%0.262SS*.EExtended strand (participates in β ladder)trans-116.3152.5179.5-62178.2-176.4176.90111.1M124 A125 D126M124-K128 CarbonylContact C-O 3.54Å; M124-K128 VanDerWaalsContact CA-O 3.32Å; M124-K128 WeakPolarHBondContact CA-O 3.02Å; A125-K128 PolarHBondContact N-O 2.77Å; A125-K128 WeakPolarHBondContact O-CA 3.48Å; A125-K128 WeakPolarHBondContact O-CB 3.39Å; A125-K128 PolarHBondContact O-N 3.17Å; A125-K128 VanDerWaalsContact O-O 3.12Å; D126-K128 PolarHBondContact O-N 2.78Å
129I96.6Very high95.3Very high20 Ų2049.4 Ų49.410%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-85.5128.2172.8-62.8176.5000108.9L81 A96 P109 Q123 M124L81-I129 HydrophobicContact CD2-CG2 4.02Å; A96-I129 HydrophobicContact CB-CB 4.2Å; A96-I129 HydrophobicContact CB-CD1 4.48Å; A96-I129 WeakPolarHBondContact O-CD1 3.48Å; P109-I129 HydrophobicContact CG-CD1 4.16Å; P109-I129 HydrophobicContact CG-CG1 4.41Å; Q123-I129 WeakPolarHBondContact O-CA 3.47Å; M124-I129 HydrophobicContact CE-CG1 4.45Å; M124-I129 HydrophobicContact SD-CB 4.44Å; M124-I129 HydrophobicContact SD-CD1 4.16Å; M124-I129 HydrophobicContact SD-CG1 3.31Å; M124-I129 WeakPolarHBondContact SD-CG1 3.49Å
130V97Very high95Very high51 Ų5156.6 Ų56.631%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-130.2148.7178.3-63.70000110.4Q123 A125 V132Q123-V130 HydrophobicContact CB-CG2 4.2Å; Q123-V130 PolarHBondContact N-O 2.76Å; Q123-V130 WeakPolarHBondContact O-CG2 3.25Å; Q123-V130 PolarHBondContact O-N 3.2Å; A125-V130 HydrophobicContact CB-CG1 4.42Å; A125-V130 HydrophobicContact CB-CG2 3.69Å; V130-V132 HydrophobicContact CG2-CG2 3.91Å
131A97.3Very high94.8Very high23 Ų2358.2 Ų58.219%0.1935%0.346CS..EExtended strand (participates in β ladder)trans-102.1106171.800000108.7K80 Y113 L120K80-A131 HydrophobicContact CB-CB 3.67Å; K80-A131 HydrophobicContact CD-CB 4.18Å; K80-A131 HydrophobicContact CG-CB 4.5Å; Y113-A131 WeakPolarHBondContact OH-CB 3.5Å; L120-A131 HydrophobicContact CD1-CB 4.24Å
132V96.4Very high94.6Very high53 Ų5359.1 Ų59.132%0.32135%0.352SS..EExtended strand (participates in β ladder)trans-92.8124.4-176.1-177.70000109.4L120 H121 Q123 V130 I134L120-V132 CarbonylContact C-O 3.58Å; L120-V132 VanDerWaalsContact CA-O 3.23Å; L120-V132 WeakPolarHBondContact CA-O 3.42Å; H121-V132 PolarHBondContact N-O 2.76Å; H121-V132 PolarHBondContact O-N 2.91Å; Q123-V132 HydrophobicContact CB-CG2 4.25Å; V130-V132 HydrophobicContact CG2-CG2 3.91Å; V132-I134 PolarHBondContact O-N 2.86Å
133F96.2Very high94.5Very high26 Ų2659.8 Ų59.811%0.11436%0.356CS..EExtended strand (participates in β ladder)trans-67.3127.2172.4-179.2-91.8000110.8S118 L120 G135 L145 E160S118-F133 WeakPolarHBondContact OG-CE2 3.4Å; L120-F133 HydrophobicContact CD2-CB 3.98Å; L120-F133 HydrophobicContact CD2-CD2 3.88Å; L120-F133 HydrophobicContact CD2-CG 4.38Å; F133-G135 WeakPolarHBondContact CE2-O 3.4Å; F133-L145 HydrophobicContact CD1-CD1 4.41Å; F133-L145 HydrophobicContact CE1-CB 4.02Å; F133-L145 HydrophobicContact CE1-CD1 3.74Å; F133-L145 HydrophobicContact CE1-CG 4.42Å; F133-L145 HydrophobicContact CZ-CD1 4.36Å; F133-E160 HydrophobicContact CB-CG 4.03Å; F133-E160 WeakPolarHBondContact CB-OE1 3.03Å; F133-E160 HydrophobicContact CD1-CB 4.15Å; F133-E160 HydrophobicContact CD2-CB 4.08Å; F133-E160 HydrophobicContact CD2-CG 3.91Å; F133-E160 HydrophobicContact CE1-CB 4.34Å; F133-E160 HydrophobicContact CE2-CB 4.27Å; F133-E160 HydrophobicContact CG-CB 4.01Å; F133-E160 HydrophobicContact CG-CG 3.91Å; F133-E160 HydrophobicContact CZ-CB 4.38Å
134I96.7Very high94.4Very high52 Ų5262.3 Ų62.327%0.26737%0.365SS..EExtended strand (participates in β ladder)trans-117.6-14178.660.8166000113.5K112 T119 H121 V132 I142K112-I134 HydrophobicContact CD-CD1 3.72Å; K112-I134 HydrophobicContact CG-CD1 3.95Å; T119-I134 HydrophobicContact CG2-CD1 3.74Å; T119-I134 HydrophobicContact CG2-CG1 3.85Å; T119-I134 WeakPolarHBondContact O-CG1 3.24Å; T119-I134 PolarHBondContact O-N 3.17Å; H121-I134 HydrophobicContact CB-CD1 4.49Å; H121-I134 HydrophobicContact CB-CG2 3.85Å; V132-I134 PolarHBondContact O-N 2.86Å; I134-I142 HydrophobicContact CD1-CD1 3.98Å
135G96.8Very high94.3Very high0 Ų062.8 Ų62.80%037%0.369CS..EExtended strand (participates in β ladder)trans155.9-174.5176.200000113.1T119 F133 V143T119-G135 PolarHBondContact N-O 2.75Å; T119-G135 PolarHBondContact O-N 2.8Å; F133-G135 WeakPolarHBondContact CE2-O 3.4Å; G135-V143 CarbonylContact C-O 3.52Å; G135-V143 WeakPolarHBondContact CA-O 3.46Å
136C95.6Very high94.1Very high5 Ų562.3 Ų62.33%0.03437%0.367CS..EExtended strand (participates in β ladder)trans-103.9140.2177.9-530000109.3N117 I142 V143 Y149 C158N117-C136 WeakPolarHBondContact O-CA 3.32Å; C136-I142 WeakPolarHBondContact O-CA 3.19Å; C136-V143 PolarHBondContact N-O 2.8Å; C136-V143 PolarHBondContact O-N 3.32Å; C136-Y149 HydrophobicContact CB-CE1 4.14Å; C136-C158 HydrophobicContact CB-CB 3.77Å; C136-C158 WeakPolarHBondContact CB-SG 3.33Å; C136-C158 PolarHBondContact N-SG 2.97Å; C136-C158 WeakPolarHBondContact SG-CA 3.35Å; C136-C158 WeakPolarHBondContact SG-CB 3.26Å; C136-C158 CovalentContact SG-SG 2.05Å; C136-C158 PolarHBondContact SG-SG 2.79Å
137D91.6Very high94.2Very high36 Ų3658.7 Ų58.719%0.19335%0.345CS..EExtended strand (participates in β ladder)trans-92.3118.8176.3-159.8-50.7000110.1R114 N117 G139R114-D137 VanDerWaalsContact CZ-CG 3.46Å; R114-D137 IonicContact CZ-OD1 3.67Å; R114-D137 IonicContact CZ-OD2 3.03Å; R114-D137 VanDerWaalsContact NE-CG 3.29Å; R114-D137 IonicContact NE-OD1 3.94Å; R114-D137 IonicContact NE-OD2 2.68Å; R114-D137 PolarHBondContact NE-OD2 2.83Å; R114-D137 IonicContact NH2-OD1 2.99Å; R114-D137 PolarHBondContact NH2-OD1 3.41Å; R114-D137 IonicContact NH2-OD2 2.67Å; R114-D137 PolarHBondContact NH2-OD2 2.81Å; N117-D137 PolarHBondContact O-N 2.79Å; N117-D137 VanDerWaalsContact O-N 3.14Å; D137-G139 PolarHBondContact OD1-N 2.82Å
138N89.6Confident94.3Very high51 Ų5162 Ų6227%0.27334%0.341SS..  trans-104.713.5178.974.1-8.4000113.3N140 G141 V143 Y149N138-N140 PolarHBondContact O-N 2.93Å; N138-N140 WeakPolarHBondContact OD1-CA 3.07Å; N138-N140 PolarHBondContact OD1-N 3.06Å; N138-G141 PolarHBondContact N-O 2.03Å; N138-G141 PolarHBondContact OD1-N 3.16Å; N138-G141 PolarHBondContact OD1-O 3.01Å; N138-V143 HydrophobicContact CB-CG2 4.17Å; N138-Y149 HydrophobicContact CB-CD2 3.49Å; N138-Y149 VanDerWaalsContact CB-CD2 3.49Å; N138-Y149 HydrophobicContact CB-CE2 3.94Å; N138-Y149 HydrophobicContact CB-CG 4.16Å
139G88Confident94.2Very high60 Ų6056.2 Ų56.262%0.61932%0.315SS*.SBendtrans82.9-24.8-175.200000114.9D137D137-G139 PolarHBondContact OD1-N 2.82Å
140N90.7Very high93.9Very high158 Ų15860 Ų6085%0.84534%0.339SS*.SBendtrans-99.2-11.1175.7-68.3-27.5000113.1N138N138-N140 PolarHBondContact O-N 2.93Å; N138-N140 WeakPolarHBondContact OD1-CA 3.07Å; N138-N140 PolarHBondContact OD1-N 3.06Å
141G92Very high93.4Very high34 Ų3461.7 Ų61.735%0.35135%0.346SS..SBendtrans159.1-167.4-179.900000112.5N138N138-G141 PolarHBondContact N-O 2.03Å; N138-G141 PolarHBondContact OD1-N 3.16Å; N138-G141 PolarHBondContact OD1-O 3.01Å
142I94.3Very high92.9Very high73 Ų7363.8 Ų63.837%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-98118.7178.1-58.3168.3000108.4K112 T119 I134 C136K112-I142 HydrophobicContact CD-CD1 4.5Å; T119-I142 HydrophobicContact CG2-CD1 3.81Å; T119-I142 HydrophobicContact CG2-CG1 4.2Å; I134-I142 HydrophobicContact CD1-CD1 3.98Å; C136-I142 WeakPolarHBondContact O-CA 3.19Å
143V95.1Very high92.6Very high14 Ų1471.5 Ų71.59%0.08540%0.399CS..EExtended strand (participates in β ladder)trans-91132.2175.2-178.90000108.7G135 C136 N138 E147 Y149 C158G135-V143 CarbonylContact C-O 3.52Å; G135-V143 WeakPolarHBondContact CA-O 3.46Å; C136-V143 PolarHBondContact N-O 2.8Å; C136-V143 PolarHBondContact O-N 3.32Å; N138-V143 HydrophobicContact CB-CG2 4.17Å; V143-E147 HydrophobicContact CG1-CB 3.61Å; V143-Y149 HydrophobicContact CB-CD1 4.22Å; V143-Y149 HydrophobicContact CG1-CD1 3.9Å; V143-Y149 HydrophobicContact CG1-CG 4.42Å; V143-Y149 HydrophobicContact CG2-CD1 4.19Å; V143-Y149 HydrophobicContact CG2-CG 4.03Å; V143-C158 HydrophobicContact CB-CB 4.42Å; V143-C158 HydrophobicContact CG1-CB 3.99Å; V143-C158 PolarHBondContact O-SG 2.04Å; V143-C158 VanDerWaalsContact O-SG 3.36Å
144K95.4Very high92.4Very high136 Ų13674.5 Ų74.559%0.59142%0.419SS*.PPolyproline II helixtrans-74.1159.6-175.3-62.6176.3-177.6168.90111.5G146 E147 C158K144-G146 PolarHBondContact O-N 3.28Å; K144-E147 HydrophobicContact CB-CG 4.18Å; K144-E147 PolarHBondContact N-OE2 3.43Å; K144-E147 VanDerWaalsContact N-OE2 3.09Å; K144-E147 WeakPolarHBondContact O-CB 3.2Å; K144-E147 PolarHBondContact O-N 2.76Å; K144-E147 VanDerWaalsContact O-N 3.09Å; K144-C158 VanDerWaalsContact O-CB 3.31Å; K144-C158 WeakPolarHBondContact O-CB 3.5Å
145L94.7Very high92.1Very high107 Ų10778.5 Ų78.556%0.5644%0.44SS*.THydrogen-bonded Turntrans-51.9127.6174.6-173.566.5000111F133 E147 E160F133-L145 HydrophobicContact CD1-CD1 4.41Å; F133-L145 HydrophobicContact CE1-CB 4.02Å; F133-L145 HydrophobicContact CE1-CD1 3.74Å; F133-L145 HydrophobicContact CE1-CG 4.42Å; F133-L145 HydrophobicContact CZ-CD1 4.36Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.42Å; L145-E160 HydrophobicContact CD1-CB 4.36Å
146G93.4Very high91.9Very high23 Ų2379.6 Ų79.624%0.23745%0.449CS..THydrogen-bonded Turntrans85.5-12.217800000115.4K144 R157 C158K144-G146 PolarHBondContact O-N 3.28Å; G146-R157 PolarHBondContact O-NE 2.79Å; G146-C158 WeakPolarHBondContact CA-O 2.99Å; G146-C158 PolarHBondContact N-O 3.06Å
147E95.2Very high91.8Very high91 Ų9185.8 Ų85.843%0.42547%0.472SS..  trans-76.3152.8174.9-68.6178.8169.700111.3V143 K144 L145 C158V143-E147 HydrophobicContact CG1-CB 3.61Å; K144-E147 HydrophobicContact CB-CG 4.18Å; K144-E147 PolarHBondContact N-OE2 3.43Å; K144-E147 VanDerWaalsContact N-OE2 3.09Å; K144-E147 WeakPolarHBondContact O-CB 3.2Å; K144-E147 PolarHBondContact O-N 2.76Å; K144-E147 VanDerWaalsContact O-N 3.09Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.42Å; E147-C158 PolarHBondContact O-N 2.93Å
148F94.4Very high92Very high139 Ų13984 Ų8461%0.6146%0.463SS*.EExtended strand (participates in β ladder)trans-96146.8177.2-65-89.7000110.9I155 A156 R157F148-I155 HydrophobicContact CB-CG2 4.03Å; F148-I155 HydrophobicContact CD1-CG2 3.91Å; F148-I155 HydrophobicContact CG-CG2 4.36Å; F148-A156 CarbonylContact C-O 3.53Å; F148-A156 VanDerWaalsContact CA-O 3.23Å; F148-A156 WeakPolarHBondContact CA-O 3.35Å; F148-R157 HydrophobicContact CD1-CB 3.79Å; F148-R157 HydrophobicContact CD1-CG 4.08Å; F148-R157 HydrophobicContact CE1-CB 3.71Å; F148-R157 HydrophobicContact CE1-CG 3.89Å; F148-R157 HydrophobicContact CG-CG 4.5Å; F148-R157 HydrophobicContact CZ-CB 4.43Å; F148-R157 HydrophobicContact CZ-CG 4.12Å
149Y91.9Very high92.2Very high29 Ų2987.6 Ų87.611%0.11448%0.478CS..EExtended strand (participates in β ladder)trans-144.5158.9175.463.9-80.9000110.8C136 N138 V143 D151 I155 A156 C158C136-Y149 HydrophobicContact CB-CE1 4.14Å; N138-Y149 HydrophobicContact CB-CD2 3.49Å; N138-Y149 VanDerWaalsContact CB-CD2 3.49Å; N138-Y149 HydrophobicContact CB-CE2 3.94Å; N138-Y149 HydrophobicContact CB-CG 4.16Å; V143-Y149 HydrophobicContact CB-CD1 4.22Å; V143-Y149 HydrophobicContact CG1-CD1 3.9Å; V143-Y149 HydrophobicContact CG1-CG 4.42Å; V143-Y149 HydrophobicContact CG2-CD1 4.19Å; V143-Y149 HydrophobicContact CG2-CG 4.03Å; Y149-D151 HydrophobicContact CD2-CB 4.35Å; Y149-D151 HydrophobicContact CE2-CB 3.97Å; Y149-I155 WeakPolarHBondContact O-CA 3.39Å; Y149-A156 HydrophobicContact CD1-CB 4.37Å; Y149-A156 HydrophobicContact CD2-CB 4.45Å; Y149-A156 HydrophobicContact CE1-CB 3.89Å; Y149-A156 HydrophobicContact CE2-CB 4Å; Y149-A156 PolarHBondContact N-O 2.78Å; Y149-A156 PolarHBondContact O-N 2.96Å; Y149-C158 HydrophobicContact CD1-CB 4.35Å; Y149-C158 HydrophobicContact CE1-CB 4.03Å
150V89.7Confident92.3Very high99 Ų9989.1 Ų89.160%0.647%0.469SS*.EExtended strand (participates in β ladder)trans-89117.1175.5-1780000108.3G152V150-G152 WeakPolarHBondContact CG1-O 3.22Å
151D85.5Confident91.8Very high86 Ų8685.7 Ų85.746%0.4645%0.45SS..EExtended strand (participates in β ladder)trans-106.399.5170-174.214.7000108.4Y149 K153 T154 A156Y149-D151 HydrophobicContact CD2-CB 4.35Å; Y149-D151 HydrophobicContact CE2-CB 3.97Å; D151-K153 PolarHBondContact O-N 2.93Å; D151-T154 PolarHBondContact N-O 2.98Å; D151-T154 PolarHBondContact O-N 3.4Å; D151-T154 PolarHBondContact O-OG1 3.12Å; D151-A156 HydrophobicContact CB-CB 4.34Å
152G87.4Confident90.4Very high67 Ų6793.1 Ų93.169%0.69148%0.476SS*.THydrogen-bonded Turntrans59.6-103.1-172.800000112.5V150V150-G152 WeakPolarHBondContact CG1-O 3.22Å
153K91Very high88.6Confident215 Ų21599 Ų9994%0.93550%0.499SS*.THydrogen-bonded Turntrans-106.9-0.9-179.8-64.2-173.8-178.8-179.20113.7D151D151-K153 PolarHBondContact O-N 2.93Å
154T91.7Very high86.1Confident89 Ų89104.7 Ų104.755%0.54653%0.528SS..EExtended strand (participates in β ladder)trans-114145.3-175.749.30000111.1D151D151-T154 PolarHBondContact N-O 2.98Å; D151-T154 PolarHBondContact O-N 3.4Å; D151-T154 PolarHBondContact O-OG1 3.12Å
155I90.5Very high83.1Confident136 Ų136102.6 Ų102.670%0.69753%0.53SS*.EExtended strand (participates in β ladder)trans-86.7115.8169.2-60174.5000107.1F148 Y149F148-I155 HydrophobicContact CB-CG2 4.03Å; F148-I155 HydrophobicContact CD1-CG2 3.91Å; F148-I155 HydrophobicContact CG-CG2 4.36Å; Y149-I155 WeakPolarHBondContact O-CA 3.39Å
156A92.4Very high80.6Confident24 Ų24103.3 Ų103.320%0.19853%0.529CS..EExtended strand (participates in β ladder)trans-102.8155.9175.100000110.2F148 Y149 D151F148-A156 CarbonylContact C-O 3.53Å; F148-A156 VanDerWaalsContact CA-O 3.23Å; F148-A156 WeakPolarHBondContact CA-O 3.35Å; Y149-A156 HydrophobicContact CD1-CB 4.37Å; Y149-A156 HydrophobicContact CD2-CB 4.45Å; Y149-A156 HydrophobicContact CE1-CB 3.89Å; Y149-A156 HydrophobicContact CE2-CB 4Å; Y149-A156 PolarHBondContact N-O 2.78Å; Y149-A156 PolarHBondContact O-N 2.96Å; D151-A156 HydrophobicContact CB-CB 4.34Å
157R93.9Very high77.7Confident134 Ų134111.1 Ų111.151%0.50656%0.557SS.*EExtended strand (participates in β ladder)trans-109.6132.6170.4-167.8178.3-173.5-173.2-3.3108.7G146 F148 Q159G146-R157 PolarHBondContact O-NE 2.79Å; F148-R157 HydrophobicContact CD1-CB 3.79Å; F148-R157 HydrophobicContact CD1-CG 4.08Å; F148-R157 HydrophobicContact CE1-CB 3.71Å; F148-R157 HydrophobicContact CE1-CG 3.89Å; F148-R157 HydrophobicContact CG-CG 4.5Å; F148-R157 HydrophobicContact CZ-CB 4.43Å; F148-R157 HydrophobicContact CZ-CG 4.12Å; R157-Q159 PolarHBondContact O-N 2.9Å
158C95.1Very high75.1Confident0 Ų0114.3 Ų114.30%058%0.577CS.*  trans-70.9119.7177-178.90000110.6C136 V143 K144 G146 E147 Y149C136-C158 HydrophobicContact CB-CB 3.77Å; C136-C158 WeakPolarHBondContact CB-SG 3.33Å; C136-C158 PolarHBondContact N-SG 2.97Å; C136-C158 WeakPolarHBondContact SG-CA 3.35Å; C136-C158 WeakPolarHBondContact SG-CB 3.26Å; C136-C158 CovalentContact SG-SG 2.05Å; C136-C158 PolarHBondContact SG-SG 2.79Å; V143-C158 HydrophobicContact CB-CB 4.42Å; V143-C158 HydrophobicContact CG1-CB 3.99Å; V143-C158 PolarHBondContact O-SG 2.04Å; V143-C158 VanDerWaalsContact O-SG 3.36Å; K144-C158 VanDerWaalsContact O-CB 3.31Å; K144-C158 WeakPolarHBondContact O-CB 3.5Å; G146-C158 WeakPolarHBondContact CA-O 2.99Å; G146-C158 PolarHBondContact N-O 3.06Å; E147-C158 PolarHBondContact O-N 2.93Å; Y149-C158 HydrophobicContact CD1-CB 4.35Å; Y149-C158 HydrophobicContact CE1-CB 4.03Å
159Q93.5Very high72.7Confident126 Ų126116.3 Ų116.359%0.58959%0.585SS**  trans-132.1147.3178.9-67-175.4-3000108.9R157 D161R157-Q159 PolarHBondContact O-N 2.9Å; Q159-D161 PolarHBondContact O-N 3.47Å
160E90.8Very high70.1Confident91 Ų91125.9 Ų125.943%0.42562%0.621SS.*PPolyproline II helixtrans-75.8122.7168.7-175.9173.9-160.400107.6K80 F133 L145 E162K80-E160 IonicContact NZ-OE1 3.98Å; F133-E160 HydrophobicContact CB-CG 4.03Å; F133-E160 WeakPolarHBondContact CB-OE1 3.03Å; F133-E160 HydrophobicContact CD1-CB 4.15Å; F133-E160 HydrophobicContact CD2-CB 4.08Å; F133-E160 HydrophobicContact CD2-CG 3.91Å; F133-E160 HydrophobicContact CE1-CB 4.34Å; F133-E160 HydrophobicContact CE2-CB 4.27Å; F133-E160 HydrophobicContact CG-CB 4.01Å; F133-E160 HydrophobicContact CG-CG 3.91Å; F133-E160 HydrophobicContact CZ-CB 4.38Å; L145-E160 HydrophobicContact CD1-CB 4.36Å; E160-E162 PolarHBondContact O-N 3.22Å; E160-E162 VanDerWaalsContact O-N 3.14Å
161D79.9Confident67.9Low86 Ų86125 Ų12546%0.4662%0.619SS.*PPolyproline II helixtrans-49.3122.8175.5-62.3-40.7000109.2S118 Q159 K163S118-D161 PolarHBondContact OG-OD2 2.78Å; Q159-D161 PolarHBondContact O-N 3.47Å; D161-K163 PolarHBondContact O-N 3.13Å
162E63.3Low65.7Low190 Ų190127.5 Ų127.589%0.88863%0.633SS**PPolyproline II helixtrans-48.4132.2-176-83.4-172.9149.300110.9E160 L164E160-E162 PolarHBondContact O-N 3.22Å; E160-E162 VanDerWaalsContact O-N 3.14Å; E162-L164 PolarHBondContact O-N 2.65Å; E162-L164 VanDerWaalsContact O-N 3.09Å
163K54.7Low63.3Low197 Ų197129.3 Ų129.386%0.85764%0.635SS**  trans-38.4113.2-174-86176.1173.1173.40112.8D161 S165D161-K163 PolarHBondContact O-N 3.13Å; K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 2.77Å
164L42.8Very low60.8Low134 Ų134124.4 Ų124.470%0.70263%0.625SS**  trans-62.493.8152.4-82155.2000107.7E162 F166E162-L164 PolarHBondContact O-N 2.65Å; E162-L164 VanDerWaalsContact O-N 3.09Å; L164-F166 HydrophobicContact CB-CE2 4.32Å; L164-F166 HydrophobicContact CB-CZ 4.49Å; L164-F166 WeakPolarHBondContact O-CD2 3.44Å; L164-F166 PolarHBondContact O-N 3.34Å; L164-F166 VanDerWaalsContact O-N 3.1Å
165S33.6Very low58.3Low91 Ų91127.3 Ų127.364%0.63664%0.637SS**  trans-69.3104.417361.70000108.5K163 F167K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 2.77Å; S165-F167 PolarHBondContact O-N 2.84Å
166F42.4Very low55.8Low122 Ų122128.5 Ų128.554%0.53565%0.645SS.*  trans-66.2120.3168-65.9-85.3000107.9M78 L164 D168M78-F166 HydrophobicContact CG-CD1 4.44Å; M78-F166 HydrophobicContact CG-CE1 4.1Å; L164-F166 HydrophobicContact CB-CE2 4.32Å; L164-F166 HydrophobicContact CB-CZ 4.49Å; L164-F166 WeakPolarHBondContact O-CD2 3.44Å; L164-F166 PolarHBondContact O-N 3.34Å; L164-F166 VanDerWaalsContact O-N 3.1Å; F166-D168 PolarHBondContact O-N 2.83Å
167F31.8Very low53.2Low187 Ų187135.8 Ų135.882%0.8268%0.675SS**  trans-64.9103.1171.2-75.1-86.8000108.2S165 K169S165-F167 PolarHBondContact O-N 2.84Å; F167-K169 PolarHBondContact O-N 3.22Å
168D41.1Very low50.4Low159 Ų159141.2 Ų141.285%0.8570%0.695SS**  trans-60.387.4158.3-89.6-30.9000106.9F166 R170F166-D168 PolarHBondContact O-N 2.83Å; D168-R170 PolarHBondContact O-N 2.8Å
169K43.2Very low47.5Very low181 Ų181144.8 Ų144.879%0.78773%0.733SS**  trans-66.584.2162.3-85.3-172.1179.31780106.2F167 S171F167-K169 PolarHBondContact O-N 3.22Å; K169-S171 PolarHBondContact O-N 3.27Å
170R37.6Very low44.9Very low230 Ų230149.8 Ų149.887%0.86875%0.752SS**  trans-6387160.8-152.2-179.6-164.2-160.14.1105.5D168 N172D168-R170 PolarHBondContact O-N 2.8Å; R170-N172 PolarHBondContact O-N 2.94Å
171S44.3Very low42Very low79 Ų79147.9 Ų147.955%0.55276%0.757SS**  trans-67.391.5174.9620000107.1K169 S173K169-S171 PolarHBondContact O-N 3.27Å; S171-S173 PolarHBondContact O-N 3.25Å
172N38.8Very low39.9Very low140 Ų140152 Ų15275%0.74978%0.779SS**  trans-58.294.3151.9-79.8-15.2000104.8R170 P174R170-N172 PolarHBondContact O-N 2.94Å; N172-P174 WeakPolarHBondContact O-CD 3.5Å
173S37.7Very low38.6Very low104 Ų104151.1 Ų151.173%0.72778%0.775SS**  trans-70.1107.6173.5-76.80000107.5S171 N175S171-S173 PolarHBondContact O-N 3.25Å; S173-N175 PolarHBondContact O-N 2.88Å
174P38.3Very low37.6Very low112 Ų112146.9 Ų146.973%0.72777%0.767SS**  trans-82.8114.9167.14.918.8000105.1N172 N176N172-P174 WeakPolarHBondContact O-CD 3.5Å; P174-N176 PolarHBondContact O-N 3.37Å
175N38.2Very low37.1Very low150 Ų150145.4 Ų145.480%0.80277%0.774SS**  trans-49.3107.1160-105.1-21000107.1S173S173-N175 PolarHBondContact O-N 2.88Å
176N39.5Very low36.9Very low162 Ų162148.8 Ų148.887%0.86678%0.78SS**  trans-160.9138.2155.4-92.6-27.3000112.7P174P174-N176 PolarHBondContact O-N 3.37Å
177Q36.7Very low36.4Very low177 Ų177150.9 Ų150.983%0.82780%0.797SS**  trans-75.9154.5-169.8-61.9176.8-3.900112.9
178R34.4Very low36.3Very low247 Ų247148.3 Ų148.393%0.93279%0.791SS**  trans46.992.6152.4-70.7-178.4-177.6-128.10.3116.6
179G36.1Very low35.7Very low76 Ų76145 Ų14578%0.78478%0.779SS**  trans-148.8108.5158.900000110.2G181G179-G181 PolarHBondContact O-N 2.82Å
180K37Very low35Very low231 Ų231142.6 Ų142.6100%1.00478%0.779SS**  trans-76.295.7177.8-144.3-177.7-170.8-176.50107.3
181G31.5Very low34.6Very low51 Ų51136.3 Ų136.353%0.52677%0.766SS.*  trans-127.9120.6-179.400000111.1G179 H183G179-G181 PolarHBondContact O-N 2.82Å; G181-H183 PolarHBondContact O-N 2.83Å
182N35.5Very low34Very low172 Ų172135.9 Ų135.992%0.9276%0.763SS**  trans-68.4110.9174-77.2-13.6000109.3
183H35.4Very low33.6Very low172 Ų172135.6 Ų135.680%0.79676%0.762SS**PPolyproline II helixtrans-104136.7167.6-73.8-59.3000110.1G181G181-H183 PolarHBondContact O-N 2.83Å
184P33.5Very low33.2Very low107 Ų107135.7 Ų135.770%0.69576%0.76SS**PPolyproline II helixtrans-68.9141-176.128.2-33.1000111H186P184-H186 PolarHBondContact O-N 2.95Å
185A31.8Very low32.8Very low104 Ų104136.3 Ų136.386%0.8676%0.761SS**PPolyproline II helixtrans-53.1118.4-178.700000111.1
186H30.3Very low32.4Very low161 Ų161135 Ų13575%0.74576%0.755SS**PPolyproline II helixtrans-83.1138.2165.2-79.7-73.4000108.9P184 N188P184-H186 PolarHBondContact O-N 2.95Å; H186-N188 PolarHBondContact O-N 3.46Å
187D31.5Very low32Very low167 Ų167133.4 Ų133.489%0.89375%0.753SS**  trans-53.9111.7177.2-67-50.4000110.4
188N30Very low31.7Very low132 Ų132129.3 Ų129.371%0.70675%0.75SS**  trans-63.3131.8-179.6-78-39.5000109.6H186 T190H186-N188 PolarHBondContact O-N 3.46Å; N188-T190 PolarHBondContact O-N 2.74Å
189P29.7Very low31.5Very low91 Ų91123.6 Ų123.659%0.59174%0.744SS**  trans-58.6125.4168.522.7-29.8000109.1V191P189-V191 PolarHBondContact O-N 3.31Å
190T28.4Very low31.2Very low129 Ų129125.8 Ų125.879%0.79175%0.748SS**  trans-60.9103.6-179.3-44.90000109.6N188 S192N188-T190 PolarHBondContact O-N 2.74Å; T190-S192 VanDerWaalsContact C-N 3.31Å; T190-S192 PolarHBondContact O-N 3.17Å
191V29.1Very low30.6Very low99 Ų99123.4 Ų123.460%0.674%0.742SS**  trans-73.490.1167.4-178.90000106.9P189 N193P189-V191 PolarHBondContact O-N 3.31Å; V191-N193 PolarHBondContact O-N 3.09Å
192S32.1Very low30.2Very low69 Ų69124.3 Ų124.348%0.48375%0.752SS.*  trans-76.6113.717224.50000109.4T190T190-S192 VanDerWaalsContact C-N 3.31Å; T190-S192 PolarHBondContact O-N 3.17Å
193N30.3Very low29.8Very low135 Ų135119.2 Ų119.272%0.72274%0.74SS**  trans-61.3129.4169-85.7-29.4000109.1V191 T195V191-N193 PolarHBondContact O-N 3.09Å; N193-T195 PolarHBondContact O-N 3.37Å; N193-T195 PolarHBondContact O-OG1 2.9Å
194P28.3Very low29.4Very low105 Ų105116.5 Ų116.568%0.68275%0.747SS**  trans-62.9109.4-176.522.9-31.1000110N196P194-N196 VanDerWaalsContact C-N 3.32Å; P194-N196 PolarHBondContact O-N 2.98Å
195T30.7Very low29.3Very low125 Ų125118 Ų11877%0.76775%0.748SS**  trans-81.5-6.5-171.2-30.70000113.5N193N193-T195 PolarHBondContact O-N 3.37Å; N193-T195 PolarHBondContact O-OG1 2.9Å
196N30Very low29.1Very low123 Ų123118.4 Ų118.466%0.65874%0.742SS**SBendtrans-147.2124.2179.8-74.4-57000112.5P194P194-N196 VanDerWaalsContact C-N 3.32Å; P194-N196 PolarHBondContact O-N 2.98Å
197P30.2Very low29.1Very low128 Ų128120.2 Ų120.283%0.83175%0.747SS**PPolyproline II helixtrans-67.5136.4172.525.7-29.9000111
198A30.7Very low29.3Very low92 Ų92115.8 Ų115.876%0.7673%0.728SS**PPolyproline II helixtrans-65142.7-17800000112S200A198-S200 PolarHBondContact O-N 2.87Å
199P29.3Very low29.6Very low126 Ų126112 Ų11282%0.81871%0.712SS**PPolyproline II helixtrans-67.6128176.8-15.528.9000112M201P199-M201 PolarHBondContact O-N 2.92Å
200S30.2Very low30.1Very low122 Ų122111.8 Ų111.885%0.85371%0.709SS**PPolyproline II helixtrans-72.3120.5175.3-175.20000110.8A198A198-S200 PolarHBondContact O-N 2.87Å
201M24.6Very low30.8Very low181 Ų181111.1 Ų111.189%0.89270%0.7SS**PPolyproline II helixtrans-89.3128.7171-70.5-145.8-69.900110.8P199P199-M201 PolarHBondContact O-N 2.92Å
202G23.4Very low31.9Very low70 Ų70108.2 Ų108.272%0.72269%0.69SS**SBendtrans102.6122.6153.800000116.5
203G26.4Very low32.6Very low66 Ų66113.7 Ų113.768%0.6871%0.708SS**  trans90.4121.7164.600000113.7I205G203-I205 PolarHBondContact O-N 2.91Å
204A28Very low33.7Very low114 Ų114114.2 Ų114.294%0.94271%0.706SS**  trans-64.975.9175.700000110.9
205I30.3Very low35.6Very low138 Ų138114 Ų11471%0.70871%0.713SS**PPolyproline II helixtrans-90126.2165.5-60.8173.6000105.1G203 K207G203-I205 PolarHBondContact O-N 2.91Å; I205-K207 PolarHBondContact O-N 2.8Å; I205-K207 VanDerWaalsContact O-N 3.13Å
206P29Very low37.9Very low113 Ų113109.7 Ų109.773%0.73469%0.694SS**PPolyproline II helixtrans-48.8125.2176.3-24.832.8000109.2
207K30Very low40.5Very low199 Ų199107.4 Ų107.487%0.86568%0.676SS**PPolyproline II helixtrans-58.1126.2175-76.1177.8178.71750107.2I205 S209I205-K207 PolarHBondContact O-N 2.8Å; I205-K207 VanDerWaalsContact O-N 3.13Å; K207-S209 PolarHBondContact O-N 3.46Å
208P35.7Very low43.1Very low75 Ų75106 Ų10649%0.48766%0.657SS.*PPolyproline II helixtrans-57.2131.5175.521.1-30000108.8M220P208-M220 HydrophobicContact CB-CB 4.24Å
209S35.9Very low45.8Very low51 Ų51102.2 Ų102.236%0.35763%0.625SS.*PPolyproline II helixtrans-82.8138.6175.189.60000108.5K207 N211 D221K207-S209 PolarHBondContact O-N 3.46Å; S209-N211 PolarHBondContact O-N 2.89Å; S209-N211 PolarHBondContact OG-ND2 3.03Å; S209-D221 PolarHBondContact OG-OD2 3.08Å
210V38.9Very low48.5Very low87 Ų8799 Ų9953%0.52760%0.599SS.*  trans-8893.7176.5-179.90000106.9G212 F218V210-G212 PolarHBondContact O-N 2.97Å; V210-F218 HydrophobicContact CG1-CD2 4.44Å; V210-F218 HydrophobicContact CG1-CE2 3.99Å; V210-F218 HydrophobicContact CG2-CE2 3.83Å; V210-F218 HydrophobicContact CG2-CZ 3.92Å
211N44.3Very low51.2Low115 Ų11595.8 Ų95.862%0.61557%0.572SS**  trans-92.987.7175.4-76.8-26.4000109.8S209S209-N211 PolarHBondContact O-N 2.89Å; S209-N211 PolarHBondContact OG-ND2 3.03Å
212G51.7Low53.8Low38 Ų3888 Ų8839%0.39254%0.536SS..  trans99.5139.516400000115.7V210V210-G212 PolarHBondContact O-N 2.97Å
213Q46Very low56.4Low185 Ų18590.5 Ų90.586%0.86454%0.542SS*.  trans-112.587.8175-142.9-178.714.900106.9
214H53.8Low58.8Low146 Ų14690 Ų9068%0.67652%0.523SS*.  trans-88.3110.1171.7-81.8-71000108.7G216 W217H214-G216 PolarHBondContact O-N 2.95Å; H214-W217 WeakPolarHBondContact O-CB 3.03Å; H214-W217 PolarHBondContact O-N 3.44Å
215A67.7Low61.3Low101 Ų10188 Ų8884%0.83550%0.503SS*.THydrogen-bonded Turntrans15.275.8169.800000116.2
216G80.7Confident63.8Low34 Ų3486 Ų8635%0.35150%0.497SS..THydrogen-bonded Turntrans91.33.8175.900000116H214 N267 S268H214-G216 PolarHBondContact O-N 2.95Å; G216-N267 WeakPolarHBondContact O-CA 3.41Å; G216-S268 PolarHBondContact O-N 3.04Å; G216-S268 PolarHBondContact O-OG 2.88Å
217W83.7Confident66.6Low74 Ų7480.9 Ų80.928%0.2846%0.464SS..EExtended strand (participates in β ladder)trans-106.8134.7174.6-64.585.2000111.4H214 I251 F253 C265 V266 N267H214-W217 WeakPolarHBondContact O-CB 3.03Å; H214-W217 PolarHBondContact O-N 3.44Å; W217-I251 HydrophobicContact CH2-CB 4.39Å; W217-I251 HydrophobicContact CH2-CD1 4.46Å; W217-I251 HydrophobicContact CH2-CG1 4.28Å; W217-I251 HydrophobicContact CH2-CG2 3.37Å; W217-I251 HydrophobicContact CZ2-CG2 4.06Å; W217-I251 HydrophobicContact CZ3-CG2 3.9Å; W217-F253 HydrophobicContact CH2-CB 4.17Å; W217-F253 HydrophobicContact CZ3-CB 3.86Å; W217-C265 HydrophobicContact CE3-CB 3.7Å; W217-C265 HydrophobicContact CZ3-CB 4.24Å; W217-V266 WeakPolarHBondContact CA-O 3.19Å; W217-N267 HydrophobicContact CD2-CB 3.96Å; W217-N267 VanDerWaalsContact CE2-ND2 3.32Å; W217-N267 HydrophobicContact CE3-CB 3.84Å; W217-N267 HydrophobicContact CH2-CB 3.87Å; W217-N267 HydrophobicContact CZ2-CB 3.94Å; W217-N267 HydrophobicContact CZ3-CB 3.8Å; W217-N267 PolarHBondContact NE1-ND2 3.35Å
218F84.8Confident69.4Low100 Ų10071.4 Ų71.444%0.43942%0.423SS..EExtended strand (participates in β ladder)trans-109113.3169179.1-100.9000109V210 M220 C265 V266V210-F218 HydrophobicContact CG1-CD2 4.44Å; V210-F218 HydrophobicContact CG1-CE2 3.99Å; V210-F218 HydrophobicContact CG2-CE2 3.83Å; V210-F218 HydrophobicContact CG2-CZ 3.92Å; F218-M220 HydrophobicContact CD1-CE 4.17Å; F218-M220 HydrophobicContact CD1-CG 4.17Å; F218-M220 HydrophobicContact CD1-SD 4.45Å; F218-M220 HydrophobicContact CE1-CE 3.89Å; F218-M220 HydrophobicContact CE1-CG 3.46Å; F218-M220 VanDerWaalsContact CE1-CG 3.46Å; F218-M220 HydrophobicContact CE1-SD 3.62Å; F218-M220 HydrophobicContact CZ-CG 4.04Å; F218-M220 HydrophobicContact CZ-SD 4.43Å; F218-C265 CarbonylContact O-C 3.47Å; F218-C265 WeakPolarHBondContact O-CA 3.46Å; F218-V266 PolarHBondContact N-O 3.01Å; F218-V266 PolarHBondContact O-N 3.03Å
219C87.6Confident72Confident12 Ų1272.9 Ų72.98%0.08142%0.423CS..EExtended strand (participates in β ladder)trans-105.4141.5-177.8-58.30000111.9L264 C265C219-L264 CarbonylContact C-O 3.56Å; C219-L264 VanDerWaalsContact CA-O 3.27Å; C219-L264 WeakPolarHBondContact CA-O 3.23Å; C219-C265 HydrophobicContact CB-CB 4.18Å; C219-C265 WeakPolarHBondContact CB-SG 3.25Å; C219-C265 WeakPolarHBondContact SG-CB 3.42Å; C219-C265 CovalentContact SG-SG 2.05Å; C219-C265 PolarHBondContact SG-SG 2.79Å
220M86.6Confident74.6Confident58 Ų5871.4 Ų71.429%0.28641%0.411SS..EExtended strand (participates in β ladder)trans-130.5134.3175.1-67.7175-78.500109.8P208 F218 S222 S263 L264P208-M220 HydrophobicContact CB-CB 4.24Å; F218-M220 HydrophobicContact CD1-CE 4.17Å; F218-M220 HydrophobicContact CD1-CG 4.17Å; F218-M220 HydrophobicContact CD1-SD 4.45Å; F218-M220 HydrophobicContact CE1-CE 3.89Å; F218-M220 HydrophobicContact CE1-CG 3.46Å; F218-M220 VanDerWaalsContact CE1-CG 3.46Å; F218-M220 HydrophobicContact CE1-SD 3.62Å; F218-M220 HydrophobicContact CZ-CG 4.04Å; F218-M220 HydrophobicContact CZ-SD 4.43Å; M220-S222 PolarHBondContact O-N 2.63Å; M220-S263 CarbonylContact O-C 3.46Å; M220-S263 WeakPolarHBondContact O-CA 3.19Å; M220-L264 HydrophobicContact CE-CD2 4.28Å; M220-L264 PolarHBondContact N-O 2.79Å; M220-L264 PolarHBondContact O-N 3.47Å
221D85.1Confident77Confident54 Ų5471.1 Ų71.129%0.28941%0.409SS..EExtended strand (participates in β ladder)trans-60.2131.1174.6-59.4-39.1000110.9S209S209-D221 PolarHBondContact OG-OD2 3.08Å
222S80Confident79Confident18 Ų1866.9 Ų66.913%0.12639%0.387CS..  trans-84140169.3-175.30000109.7M220 I224 A227 A262M220-S222 PolarHBondContact O-N 2.63Å; S222-I224 PolarHBondContact O-N 3.42Å; S222-I224 PolarHBondContact OG-N 3.45Å; S222-I224 PolarHBondContact OG-O 2.82Å; S222-A227 PolarHBondContact OG-O 2.69Å; S222-A262 WeakPolarHBondContact CA-O 2.96Å; S222-A262 WeakPolarHBondContact CB-O 2.77Å; S222-A262 PolarHBondContact N-O 3.28Å
223S77.6Confident80.6Confident122 Ų12268.4 Ų68.485%0.85339%0.392SS*.SBendtrans-70.2-8.7170.456.30000113.2
224I77.3Confident82.4Confident56 Ų5662.8 Ų62.829%0.28738%0.383SS..SBendtrans-113.1123.8-178.2-53.8171.3000108.1S222 T226 A227 Q229 A262S222-I224 PolarHBondContact O-N 3.42Å; S222-I224 PolarHBondContact OG-N 3.45Å; S222-I224 PolarHBondContact OG-O 2.82Å; I224-T226 VanDerWaalsContact C-N 3.29Å; I224-T226 PolarHBondContact O-N 3.46Å; I224-A227 WeakPolarHBondContact CB-O 3.17Å; I224-A227 HydrophobicContact CG2-CB 4.32Å; I224-Q229 HydrophobicContact CD1-CB 4.17Å; I224-A262 WeakPolarHBondContact O-CB 3.4Å
225S81.2Confident83.7Confident73 Ų7362.2 Ų62.251%0.5138%0.379SS..SBendtrans-69.8-23.6-174.956.10000114.3
226T81.7Confident84.8Confident96 Ų9666.5 Ų66.559%0.58937%0.374SS*.SBendtrans-104.5-11.1-173.854.90000114.1I224 R241I224-T226 VanDerWaalsContact C-N 3.29Å; I224-T226 PolarHBondContact O-N 3.46Å; T226-R241 WeakPolarHBondContact O-CB 2.97Å; T226-R241 PolarHBondContact O-N 2.77Å
227A87.4Confident85.3Confident4 Ų466.9 Ų66.93%0.03337%0.365CS..EExtended strand (participates in β ladder)trans-155.8159.8-174.300000112.2S222 I224 L238 L239S222-A227 PolarHBondContact OG-O 2.69Å; I224-A227 WeakPolarHBondContact CB-O 3.17Å; I224-A227 HydrophobicContact CG2-CB 4.32Å; A227-L238 HydrophobicContact CB-CD1 3.72Å; A227-L238 HydrophobicContact CB-CG 4.28Å; A227-L239 CarbonylContact C-O 3.54Å; A227-L239 WeakPolarHBondContact CA-O 3.5Å; A227-L239 WeakPolarHBondContact CB-O 3.25Å
228C89.1Confident85.7Confident1 Ų168.3 Ų68.31%0.00738%0.377CS..EExtended strand (participates in β ladder)trans-110.3112.5174.9-59.10000108.5L239 C254 S263 L264C228-L239 PolarHBondContact N-O 3.27Å; C228-L239 PolarHBondContact O-N 2.03Å; C228-C254 HydrophobicContact CB-CB 3.65Å; C228-C254 WeakPolarHBondContact CB-SG 3.21Å; C228-C254 PolarHBondContact N-SG 3.37Å; C228-C254 WeakPolarHBondContact SG-CA 3.18Å; C228-C254 WeakPolarHBondContact SG-CB 3.47Å; C228-C254 CovalentContact SG-SG 2.04Å; C228-C254 PolarHBondContact SG-SG 3.05Å; C228-S263 VanDerWaalsContact SG-C 3.57Å; C228-L264 HydrophobicContact CB-CB 4Å; C228-L264 HydrophobicContact CB-CD1 3.97Å
229Q90.9Very high85.9Confident106 Ų10664.1 Ų64.150%0.49536%0.359SS..EExtended strand (participates in β ladder)trans-99.2125.6174.1-168.9176.521.800109.7I224 Y237 L238I224-Q229 HydrophobicContact CD1-CB 4.17Å; Q229-Y237 WeakPolarHBondContact CA-O 3.04Å; Q229-L238 HydrophobicContact CB-CD1 3.99Å; Q229-L238 HydrophobicContact CG-CD1 4.4Å
230F91.1Very high85.9Confident20 Ų2068.1 Ų68.19%0.08838%0.38CS..EExtended strand (participates in β ladder)trans-149.3168.618060-78.4000111.2V232 R236 Y237 L239 I247 Y252 L264F230-V232 HydrophobicContact CD2-CG2 3.73Å; F230-V232 HydrophobicContact CE2-CG2 3.72Å; F230-R236 WeakPolarHBondContact O-CA 3.21Å; F230-Y237 HydrophobicContact CE2-CD2 4.26Å; F230-Y237 HydrophobicContact CE2-CG 4.14Å; F230-Y237 HydrophobicContact CZ-CG 4.23Å; F230-Y237 PolarHBondContact N-O 3.4Å; F230-Y237 PolarHBondContact O-N 2.9Å; F230-L239 HydrophobicContact CE1-CB 4.41Å; F230-L239 HydrophobicContact CE1-CD1 3.57Å; F230-L239 HydrophobicContact CE1-CG 3.72Å; F230-L239 HydrophobicContact CZ-CD1 3.72Å; F230-L239 HydrophobicContact CZ-CG 4.1Å; F230-I247 HydrophobicContact CE2-CD1 3.54Å; F230-I247 HydrophobicContact CZ-CD1 3.87Å; F230-Y252 AromaticContact CD2-CD1 3.75Å; F230-Y252 HydrophobicContact CD2-CD1 3.75Å; F230-Y252 AromaticContact CD2-CE1 3.98Å; F230-Y252 HydrophobicContact CD2-CE1 3.98Å; F230-Y252 AromaticContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD2 4.4Å; F230-Y252 AromaticContact CE2-CE1 3.75Å; F230-Y252 HydrophobicContact CE2-CE1 3.75Å; F230-Y252 AromaticContact CE2-CG 3.62Å; F230-Y252 HydrophobicContact CE2-CG 3.62Å; F230-Y252 AromaticContact CZ-CD1 3.78Å; F230-Y252 HydrophobicContact CZ-CD1 3.78Å; F230-Y252 AromaticContact CZ-CG 3.83Å; F230-Y252 HydrophobicContact CZ-CG 3.83Å; F230-L264 HydrophobicContact CB-CD2 3.44Å; F230-L264 VanDerWaalsContact CB-CD2 3.44Å; F230-L264 HydrophobicContact CD1-CD1 3.67Å; F230-L264 HydrophobicContact CD1-CD2 3.54Å; F230-L264 HydrophobicContact CD1-CG 4.25Å; F230-L264 HydrophobicContact CD2-CD2 4.02Å; F230-L264 HydrophobicContact CE1-CD1 3.64Å; F230-L264 HydrophobicContact CE1-CD2 4.28Å; F230-L264 HydrophobicContact CG-CD1 4.28Å; F230-L264 HydrophobicContact CG-CD2 3.39Å; F230-L264 HydrophobicContact CG-CG 4.49Å; F230-L264 HydrophobicContact CZ-CD1 4.2Å
231T87.9Confident85.7Confident80 Ų8068.6 Ų68.649%0.49138%0.379SS..EExtended strand (participates in β ladder)trans-126.2126.1-178.4-57.20000109.3G234 K235T231-G234 VanDerWaalsContact CG2-CA 3.45Å; T231-K235 CarbonylContact C-O 3.56Å; T231-K235 VanDerWaalsContact CA-O 3.23Å; T231-K235 WeakPolarHBondContact CA-O 3.36Å; T231-K235 WeakPolarHBondContact CG2-O 3.44Å
232V87.1Confident85.6Confident26 Ų2668.4 Ų68.416%0.15839%0.389CS..EExtended strand (participates in β ladder)trans-117.1121.5172.5-1730000107.9F230 G234 K235 Y237 I247 Y252F230-V232 HydrophobicContact CD2-CG2 3.73Å; F230-V232 HydrophobicContact CE2-CG2 3.72Å; V232-G234 PolarHBondContact O-N 3.41Å; V232-G234 VanDerWaalsContact O-N 3.12Å; V232-K235 PolarHBondContact N-O 3.01Å; V232-K235 PolarHBondContact O-N 3.41Å; V232-Y237 HydrophobicContact CB-CD2 4.29Å; V232-Y237 HydrophobicContact CB-CE2 3.84Å; V232-Y237 HydrophobicContact CG2-CD2 4.22Å; V232-Y237 HydrophobicContact CG2-CE2 4.21Å; V232-I247 HydrophobicContact CB-CG2 4.13Å; V232-I247 HydrophobicContact CG1-CG2 3.85Å; V232-I247 HydrophobicContact CG2-CD1 3.93Å; V232-I247 HydrophobicContact CG2-CG2 4.34Å; V232-Y252 HydrophobicContact CG2-CE1 3.87Å; V232-Y252 HydrophobicContact CG2-CE2 4.32Å
233S85.8Confident85.9Confident71 Ų7174.8 Ų74.850%0.49741%0.411SS..THydrogen-bonded Turntrans50.737.6-178.6-56.50000114K235S233-K235 VanDerWaalsContact C-N 3.3Å; S233-K235 PolarHBondContact O-N 2.82Å
234G83.6Confident86.4Confident66 Ų6671 Ų7168%0.6839%0.391SS*.THydrogen-bonded Turntrans85.1-10.5179.200000115.3T231 V232T231-G234 VanDerWaalsContact CG2-CA 3.45Å; V232-G234 PolarHBondContact O-N 3.41Å; V232-G234 VanDerWaalsContact O-N 3.12Å
235K81Confident86.9Confident135 Ų13572.2 Ų72.259%0.58740%0.396SS*.EExtended strand (participates in β ladder)trans-87.6128174.8-174.6167178.3176.20110T231 V232 S233 Y237T231-K235 CarbonylContact C-O 3.56Å; T231-K235 VanDerWaalsContact CA-O 3.23Å; T231-K235 WeakPolarHBondContact CA-O 3.36Å; T231-K235 WeakPolarHBondContact CG2-O 3.44Å; V232-K235 PolarHBondContact N-O 3.01Å; V232-K235 PolarHBondContact O-N 3.41Å; S233-K235 VanDerWaalsContact C-N 3.3Å; S233-K235 PolarHBondContact O-N 2.82Å; K235-Y237 HydrophobicContact CB-CE2 3.79Å; K235-Y237 HydrophobicContact CD-CE2 4.31Å; K235-Y237 HydrophobicContact CG-CE2 3.84Å; K235-Y237 WeakPolarHBondContact O-CD2 3.12Å; K235-Y237 VanDerWaalsContact O-CE2 3.24Å; K235-Y237 WeakPolarHBondContact O-CE2 2.98Å
236R90.5Very high87.3Confident191 Ų19176.6 Ų76.672%0.72140%0.401SS*.EExtended strand (participates in β ladder)trans-78.9135.9175.9-73.8-179171.1-178.3-3.4110.2F230F230-R236 WeakPolarHBondContact O-CA 3.21Å
237Y90.9Very high87.5Confident42 Ų4273.2 Ų73.217%0.16538%0.379CS..EExtended strand (participates in β ladder)trans-123148.3175.4-65.5-94.9000109Q229 F230 V232 K235 I247Q229-Y237 WeakPolarHBondContact CA-O 3.04Å; F230-Y237 HydrophobicContact CE2-CD2 4.26Å; F230-Y237 HydrophobicContact CE2-CG 4.14Å; F230-Y237 HydrophobicContact CZ-CG 4.23Å; F230-Y237 PolarHBondContact N-O 3.4Å; F230-Y237 PolarHBondContact O-N 2.9Å; V232-Y237 HydrophobicContact CB-CD2 4.29Å; V232-Y237 HydrophobicContact CB-CE2 3.84Å; V232-Y237 HydrophobicContact CG2-CD2 4.22Å; V232-Y237 HydrophobicContact CG2-CE2 4.21Å; K235-Y237 HydrophobicContact CB-CE2 3.79Å; K235-Y237 HydrophobicContact CD-CE2 4.31Å; K235-Y237 HydrophobicContact CG-CE2 3.84Å; K235-Y237 WeakPolarHBondContact O-CD2 3.12Å; K235-Y237 VanDerWaalsContact O-CE2 3.24Å; K235-Y237 WeakPolarHBondContact O-CE2 2.98Å; Y237-I247 HydrophobicContact CD1-CD1 3.66Å; Y237-I247 HydrophobicContact CD1-CG1 4.4Å; Y237-I247 HydrophobicContact CD2-CD1 3.97Å; Y237-I247 HydrophobicContact CE1-CD1 3.63Å; Y237-I247 HydrophobicContact CE1-CG1 4Å; Y237-I247 HydrophobicContact CE2-CD1 3.98Å; Y237-I247 HydrophobicContact CG-CD1 3.82Å
238L92.4Very high87.6Confident104 Ų10475.8 Ų75.855%0.54541%0.407SS..EExtended strand (participates in β ladder)trans-132.8115.1174-174.570000107.2A227 Q229A227-L238 HydrophobicContact CB-CD1 3.72Å; A227-L238 HydrophobicContact CB-CG 4.28Å; Q229-L238 HydrophobicContact CB-CD1 3.99Å; Q229-L238 HydrophobicContact CG-CD1 4.4Å
239L89.1Confident87.4Confident12 Ų1283.3 Ų83.36%0.06344%0.435CS..EExtended strand (participates in β ladder)trans-107.6124.7173.7-67.2177.3000108.9A227 C228 F230 Q245 Y252 C254 L264A227-L239 CarbonylContact C-O 3.54Å; A227-L239 WeakPolarHBondContact CA-O 3.5Å; A227-L239 WeakPolarHBondContact CB-O 3.25Å; C228-L239 PolarHBondContact N-O 3.27Å; C228-L239 PolarHBondContact O-N 2.03Å; F230-L239 HydrophobicContact CE1-CB 4.41Å; F230-L239 HydrophobicContact CE1-CD1 3.57Å; F230-L239 HydrophobicContact CE1-CG 3.72Å; F230-L239 HydrophobicContact CZ-CD1 3.72Å; F230-L239 HydrophobicContact CZ-CG 4.1Å; L239-Q245 HydrophobicContact CD1-CB 4.32Å; L239-Q245 HydrophobicContact CD2-CB 3.58Å; L239-Y252 VanDerWaalsContact CD1-O 3.3Å; L239-Y252 WeakPolarHBondContact CD1-O 3.49Å; L239-C254 HydrophobicContact CB-CB 3.77Å; L239-C254 PolarHBondContact O-SG 3.31Å; L239-L264 HydrophobicContact CD1-CD1 4.46Å
240N87.7Confident87.3Confident95 Ų9584.5 Ų84.551%0.50844%0.435SS..EExtended strand (participates in β ladder)trans-66151.8170.3-67.5-31.1000109.6G242 Y243N240-G242 PolarHBondContact O-N 3.31Å; N240-Y243 HydrophobicContact CB-CD2 3.68Å; N240-Y243 HydrophobicContact CB-CE2 4.1Å; N240-Y243 WeakPolarHBondContact O-CB 3.45Å; N240-Y243 PolarHBondContact O-N 2.7Å; N240-Y243 VanDerWaalsContact O-N 3.09Å
241R82.3Confident87.2Confident69 Ų6985.2 Ų85.226%0.2644%0.439SS..THydrogen-bonded Turntrans-49.5134172.9167.4177.6-93.2-176.3-4.7111.4T226 Y243 G256 S257 E260T226-R241 WeakPolarHBondContact O-CB 2.97Å; T226-R241 PolarHBondContact O-N 2.77Å; R241-Y243 VanDerWaalsContact C-N 3.31Å; R241-Y243 WeakPolarHBondContact O-CD2 2.98Å; R241-G256 PolarHBondContact NE-O 3.5Å; R241-G256 VanDerWaalsContact NH2-CA 3.29Å; R241-S257 VanDerWaalsContact NH1-C 3.33Å; R241-S257 PolarHBondContact NH1-O 3.4Å; R241-S257 PolarHBondContact NH2-O 2.87Å; R241-E260 PolarHBondContact NH2-O 3.5Å
242G83.3Confident87.4Confident49 Ų4982.6 Ų82.651%0.50542%0.421SS..THydrogen-bonded Turntrans84.4-1.1179.800000114.5N240 F253 C254N240-G242 PolarHBondContact O-N 3.31Å; G242-F253 WeakPolarHBondContact O-CE2 3.45Å; G242-C254 PolarHBondContact N-O 2.82Å
243Y85.6Confident87.6Confident152 Ų15284.6 Ų84.660%0.59643%0.427SS*.  trans-105.9144.8179.8-67.7-95.4000111.9N240 R241 C254N240-Y243 HydrophobicContact CB-CD2 3.68Å; N240-Y243 HydrophobicContact CB-CE2 4.1Å; N240-Y243 WeakPolarHBondContact O-CB 3.45Å; N240-Y243 PolarHBondContact O-N 2.7Å; N240-Y243 VanDerWaalsContact O-N 3.09Å; R241-Y243 VanDerWaalsContact C-N 3.31Å; R241-Y243 WeakPolarHBondContact O-CD2 2.98Å; Y243-C254 PolarHBondContact O-N 3.3Å
244G88Confident87.9Confident42 Ų4281.2 Ų81.243%0.43340%0.403SS..EExtended strand (participates in β ladder)trans-120.2153171.300000112.2Y252G244-Y252 CarbonylContact C-O 3.58Å; G244-Y252 WeakPolarHBondContact CA-O 3.3Å
245Q89.1Confident88.1Confident82 Ų8282.8 Ų82.838%0.38339%0.393SS..EExtended strand (participates in β ladder)trans-140.4133.8174.5-175.2171.621.500110.4L239 I247 Y252L239-Q245 HydrophobicContact CD1-CB 4.32Å; L239-Q245 HydrophobicContact CD2-CB 3.58Å; Q245-I247 HydrophobicContact CG-CG1 4.32Å; Q245-Y252 PolarHBondContact N-O 2.98Å; Q245-Y252 PolarHBondContact O-N 3.14Å
246W89.8Confident88.2Confident166 Ų16677.8 Ų77.863%0.62938%0.38SS*.EExtended strand (participates in β ladder)trans-76.2127.6169.1-72.692.3000110.2R249 I251W246-R249 WeakPolarHBondContact CZ3-O 3.29Å; W246-I251 HydrophobicContact CD2-CB 3.91Å; W246-I251 HydrophobicContact CE3-CB 4.04Å; W246-I251 HydrophobicContact CH2-CB 4.04Å; W246-I251 HydrophobicContact CH2-CG2 4.13Å; W246-I251 HydrophobicContact CZ2-CB 3.91Å; W246-I251 HydrophobicContact CZ2-CD1 4.23Å; W246-I251 HydrophobicContact CZ2-CG2 4.24Å; W246-I251 HydrophobicContact CZ3-CB 4.1Å; W246-I251 HydrophobicContact CZ3-CG2 4.45Å
247I85.9Confident87.4Confident24 Ų2471 Ų7112%0.12336%0.362CS..EExtended strand (participates in β ladder)trans-128.7104.2171.7-56.3167.1000107F230 V232 Y237 Q245 R249 R250 Y252F230-I247 HydrophobicContact CE2-CD1 3.54Å; F230-I247 HydrophobicContact CZ-CD1 3.87Å; V232-I247 HydrophobicContact CB-CG2 4.13Å; V232-I247 HydrophobicContact CG1-CG2 3.85Å; V232-I247 HydrophobicContact CG2-CD1 3.93Å; V232-I247 HydrophobicContact CG2-CG2 4.34Å; Y237-I247 HydrophobicContact CD1-CD1 3.66Å; Y237-I247 HydrophobicContact CD1-CG1 4.4Å; Y237-I247 HydrophobicContact CD2-CD1 3.97Å; Y237-I247 HydrophobicContact CE1-CD1 3.63Å; Y237-I247 HydrophobicContact CE1-CG1 4Å; Y237-I247 HydrophobicContact CE2-CD1 3.98Å; Y237-I247 HydrophobicContact CG-CD1 3.82Å; Q245-I247 HydrophobicContact CG-CG1 4.32Å; I247-R249 PolarHBondContact O-N 3.13Å; I247-R250 PolarHBondContact N-O 2.83Å; I247-R250 PolarHBondContact O-N 2.84Å; I247-Y252 HydrophobicContact CB-CD2 3.86Å; I247-Y252 HydrophobicContact CB-CE2 3.7Å; I247-Y252 HydrophobicContact CD1-CD2 3.78Å; I247-Y252 HydrophobicContact CD1-CE2 4.09Å; I247-Y252 HydrophobicContact CD1-CG 4.14Å; I247-Y252 HydrophobicContact CG1-CD2 4Å; I247-Y252 HydrophobicContact CG1-CE2 4.29Å
248G88.6Confident86.4Confident59 Ų5973.1 Ų73.161%0.60839%0.388SS*.THydrogen-bonded Turntrans66.2-125.9-167.500000110.6
249R84.8Confident85.6Confident159 Ų15976.9 Ų76.960%0.640%0.403SS*.THydrogen-bonded Turntrans-97.24.8179.1-65.7-173.5178.1162.610.9114.5E71 W246 I247E71-R249 IonicContact OE1-CZ 3.22Å; E71-R249 IonicContact OE1-NE 2.96Å; E71-R249 PolarHBondContact OE1-NE 3.45Å; E71-R249 IonicContact OE1-NH1 3.81Å; E71-R249 PolarHBondContact OE1-NH1 3Å; E71-R249 IonicContact OE1-NH2 2.98Å; E71-R249 PolarHBondContact OE1-NH2 3.28Å; W246-R249 WeakPolarHBondContact CZ3-O 3.29Å; I247-R249 PolarHBondContact O-N 3.13Å
250R88.2Confident85.2Confident131 Ų13182.6 Ų82.649%0.49443%0.429SS..EExtended strand (participates in β ladder)trans-110.5136.9-179.6-64-175.9-178.5175.9-0.2109.3I247 Y252 V266 N267I247-R250 PolarHBondContact N-O 2.83Å; I247-R250 PolarHBondContact O-N 2.84Å; R250-Y252 HydrophobicContact CB-CD2 4.38Å; R250-Y252 HydrophobicContact CB-CE2 3.76Å; R250-V266 HydrophobicContact CB-CG1 4.12Å; R250-N267 WeakPolarHBondContact CG-O 3.35Å
251I90.7Very high84.9Confident35 Ų3580.4 Ų80.418%0.17942%0.424CS..EExtended strand (participates in β ladder)trans-90.5128.7167.5-177.3166.7000108.4W217 W246 V266 N267W217-I251 HydrophobicContact CH2-CB 4.39Å; W217-I251 HydrophobicContact CH2-CD1 4.46Å; W217-I251 HydrophobicContact CH2-CG1 4.28Å; W217-I251 HydrophobicContact CH2-CG2 3.37Å; W217-I251 HydrophobicContact CZ2-CG2 4.06Å; W217-I251 HydrophobicContact CZ3-CG2 3.9Å; W246-I251 HydrophobicContact CD2-CB 3.91Å; W246-I251 HydrophobicContact CE3-CB 4.04Å; W246-I251 HydrophobicContact CH2-CB 4.04Å; W246-I251 HydrophobicContact CH2-CG2 4.13Å; W246-I251 HydrophobicContact CZ2-CB 3.91Å; W246-I251 HydrophobicContact CZ2-CD1 4.23Å; W246-I251 HydrophobicContact CZ2-CG2 4.24Å; W246-I251 HydrophobicContact CZ3-CB 4.1Å; W246-I251 HydrophobicContact CZ3-CG2 4.45Å; I251-V266 WeakPolarHBondContact O-CA 3.27Å; I251-N267 HydrophobicContact CG2-CB 3.32Å; I251-N267 PolarHBondContact O-N 3.15Å
252Y91.5Very high85.1Confident25 Ų2577.1 Ų77.110%0.09841%0.412CS..EExtended strand (participates in β ladder)trans-105.1122.1173-68.3-102.8000106.6F230 V232 L239 G244 Q245 I247 R250 L264 C265 V266F230-Y252 AromaticContact CD2-CD1 3.75Å; F230-Y252 HydrophobicContact CD2-CD1 3.75Å; F230-Y252 AromaticContact CD2-CE1 3.98Å; F230-Y252 HydrophobicContact CD2-CE1 3.98Å; F230-Y252 AromaticContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD2 4.4Å; F230-Y252 AromaticContact CE2-CE1 3.75Å; F230-Y252 HydrophobicContact CE2-CE1 3.75Å; F230-Y252 AromaticContact CE2-CG 3.62Å; F230-Y252 HydrophobicContact CE2-CG 3.62Å; F230-Y252 AromaticContact CZ-CD1 3.78Å; F230-Y252 HydrophobicContact CZ-CD1 3.78Å; F230-Y252 AromaticContact CZ-CG 3.83Å; F230-Y252 HydrophobicContact CZ-CG 3.83Å; V232-Y252 HydrophobicContact CG2-CE1 3.87Å; V232-Y252 HydrophobicContact CG2-CE2 4.32Å; L239-Y252 VanDerWaalsContact CD1-O 3.3Å; L239-Y252 WeakPolarHBondContact CD1-O 3.49Å; G244-Y252 CarbonylContact C-O 3.58Å; G244-Y252 WeakPolarHBondContact CA-O 3.3Å; Q245-Y252 PolarHBondContact N-O 2.98Å; Q245-Y252 PolarHBondContact O-N 3.14Å; I247-Y252 HydrophobicContact CB-CD2 3.86Å; I247-Y252 HydrophobicContact CB-CE2 3.7Å; I247-Y252 HydrophobicContact CD1-CD2 3.78Å; I247-Y252 HydrophobicContact CD1-CE2 4.09Å; I247-Y252 HydrophobicContact CD1-CG 4.14Å; I247-Y252 HydrophobicContact CG1-CD2 4Å; I247-Y252 HydrophobicContact CG1-CE2 4.29Å; R250-Y252 HydrophobicContact CB-CD2 4.38Å; R250-Y252 HydrophobicContact CB-CE2 3.76Å; Y252-L264 HydrophobicContact CD1-CD1 4.33Å; Y252-L264 HydrophobicContact CD1-CD2 4.48Å; Y252-C265 CarbonylContact C-O 3.6Å; Y252-C265 WeakPolarHBondContact CA-O 3.49Å; Y252-V266 HydrophobicContact CD1-CB 4.48Å; Y252-V266 HydrophobicContact CD1-CG1 4.23Å; Y252-V266 HydrophobicContact CD1-CG2 3.56Å; Y252-V266 HydrophobicContact CE1-CB 4.45Å; Y252-V266 HydrophobicContact CE1-CG1 3.92Å; Y252-V266 HydrophobicContact CE1-CG2 3.62Å; Y252-V266 HydrophobicContact CE2-CG1 4.38Å; Y252-V266 HydrophobicContact CG-CG2 4.43Å
253F90.8Very high85.3Confident67 Ų6775.9 Ų75.929%0.29440%0.395SS..EExtended strand (participates in β ladder)trans-123.7131.9-177.3-177.3-108.3000109.7W217 G242 E255 C265W217-F253 HydrophobicContact CH2-CB 4.17Å; W217-F253 HydrophobicContact CZ3-CB 3.86Å; G242-F253 WeakPolarHBondContact O-CE2 3.45Å; F253-E255 HydrophobicContact CD1-CB 3.9Å; F253-E255 HydrophobicContact CE1-CB 3.8Å; F253-E255 HydrophobicContact CE1-CG 4.18Å; F253-C265 PolarHBondContact N-O 2.98Å; F253-C265 PolarHBondContact O-N 3.13Å
254C91.7Very high85.6Confident0 Ų069.2 Ų69.20%037%0.37CS..EExtended strand (participates in β ladder)trans-96.894.3176.1-169.30000110.1C228 L239 G242 Y243 S263C228-C254 HydrophobicContact CB-CB 3.65Å; C228-C254 WeakPolarHBondContact CB-SG 3.21Å; C228-C254 PolarHBondContact N-SG 3.37Å; C228-C254 WeakPolarHBondContact SG-CA 3.18Å; C228-C254 WeakPolarHBondContact SG-CB 3.47Å; C228-C254 CovalentContact SG-SG 2.04Å; C228-C254 PolarHBondContact SG-SG 3.05Å; L239-C254 HydrophobicContact CB-CB 3.77Å; L239-C254 PolarHBondContact O-SG 3.31Å; G242-C254 PolarHBondContact N-O 2.82Å; Y243-C254 PolarHBondContact O-N 3.3Å; C254-S263 CarbonylContact C-O 3.48Å
255E88.1Confident85.8Confident99 Ų9967.3 Ų67.346%0.46335%0.35SS..EExtended strand (participates in β ladder)trans-82.9155.3-179.5-171.3165.6-147.700111.5F253 A262 S263 C265F253-E255 HydrophobicContact CD1-CB 3.9Å; F253-E255 HydrophobicContact CE1-CB 3.8Å; F253-E255 HydrophobicContact CE1-CG 4.18Å; E255-A262 CarbonylContact O-C 3.51Å; E255-A262 VanDerWaalsContact O-CA 3.25Å; E255-A262 WeakPolarHBondContact O-CA 3.28Å; E255-S263 PolarHBondContact N-O 3.26Å; E255-S263 PolarHBondContact O-N 1.98Å; E255-C265 PolarHBondContact OE2-SG 2.96Å; E255-C265 VanDerWaalsContact OE2-SG 3.41Å
256G82.6Confident85.9Confident30 Ų3064.1 Ų64.131%0.30934%0.336SS..  trans169.5149.7160.900000113.4R241R241-G256 PolarHBondContact NE-O 3.5Å; R241-G256 VanDerWaalsContact NH2-CA 3.29Å
257S73.3Confident85.8Confident50 Ų5058.6 Ų58.635%0.3532%0.319SS..  trans-91.9153.6176.874.50000111.8R241 H259 E260R241-S257 VanDerWaalsContact NH1-C 3.33Å; R241-S257 PolarHBondContact NH1-O 3.4Å; R241-S257 PolarHBondContact NH2-O 2.87Å; S257-H259 PolarHBondContact O-N 3.3Å; S257-E260 PolarHBondContact O-N 3.4Å; S257-E260 WeakPolarHBondContact OG-CB 3.38Å; S257-E260 VanDerWaalsContact OG-CG 3.27Å; S257-E260 WeakPolarHBondContact OG-CG 3.4Å; S257-E260 PolarHBondContact OG-OE2 3.15Å
258A71.5Confident85.4Confident86 Ų8663.5 Ų63.571%0.71136%0.355SS*.THydrogen-bonded Turntrans-49.3-21.7-175.200000115.3
259H75.6Confident85.2Confident183 Ų18363.8 Ų63.885%0.84734%0.343SS*.THydrogen-bonded Turntrans-110.5-2.2-177.7-58.2-62.3000115.2S257S257-H259 PolarHBondContact O-N 3.3Å
260E79.8Confident85.3Confident132 Ų13258.7 Ų58.762%0.61733%0.329SS*.SBendtrans-116162.6-176.6-67.4168.8157.500112R241 S257R241-E260 PolarHBondContact NH2-O 3.5Å; S257-E260 PolarHBondContact O-N 3.4Å; S257-E260 WeakPolarHBondContact OG-CB 3.38Å; S257-E260 VanDerWaalsContact OG-CG 3.27Å; S257-E260 WeakPolarHBondContact OG-CG 3.4Å; S257-E260 PolarHBondContact OG-OE2 3.15Å
261A81.9Confident85.1Confident49 Ų4954.7 Ų54.741%0.40532%0.32SS..  trans-62.8154.2171.500000110.8
262A85.6Confident84.8Confident0 Ų055.9 Ų55.90%033%0.328CS..  trans-69.3144.7173.400000109.9S222 I224 E255S222-A262 WeakPolarHBondContact CA-O 2.96Å; S222-A262 WeakPolarHBondContact CB-O 2.77Å; S222-A262 PolarHBondContact N-O 3.28Å; I224-A262 WeakPolarHBondContact O-CB 3.4Å; E255-A262 CarbonylContact O-C 3.51Å; E255-A262 VanDerWaalsContact O-CA 3.25Å; E255-A262 WeakPolarHBondContact O-CA 3.28Å
263S88.8Confident84.3Confident23 Ų2357.8 Ų57.816%0.16134%0.342CS..EExtended strand (participates in β ladder)trans-120.4127.8176.8-71.50000109.7M220 C228 C254 E255 C265M220-S263 CarbonylContact O-C 3.46Å; M220-S263 WeakPolarHBondContact O-CA 3.19Å; C228-S263 VanDerWaalsContact SG-C 3.57Å; C254-S263 CarbonylContact C-O 3.48Å; E255-S263 PolarHBondContact N-O 3.26Å; E255-S263 PolarHBondContact O-N 1.98Å; S263-C265 PolarHBondContact O-N 3.35Å
264L91.9Very high83.9Confident12 Ų1257.2 Ų57.26%0.06335%0.346CS..EExtended strand (participates in β ladder)trans-84.8111.2172.8179.667.1000109.5C219 M220 C228 F230 L239 Y252 V266C219-L264 CarbonylContact C-O 3.56Å; C219-L264 VanDerWaalsContact CA-O 3.27Å; C219-L264 WeakPolarHBondContact CA-O 3.23Å; M220-L264 HydrophobicContact CE-CD2 4.28Å; M220-L264 PolarHBondContact N-O 2.79Å; M220-L264 PolarHBondContact O-N 3.47Å; C228-L264 HydrophobicContact CB-CB 4Å; C228-L264 HydrophobicContact CB-CD1 3.97Å; F230-L264 HydrophobicContact CB-CD2 3.44Å; F230-L264 VanDerWaalsContact CB-CD2 3.44Å; F230-L264 HydrophobicContact CD1-CD1 3.67Å; F230-L264 HydrophobicContact CD1-CD2 3.54Å; F230-L264 HydrophobicContact CD1-CG 4.25Å; F230-L264 HydrophobicContact CD2-CD2 4.02Å; F230-L264 HydrophobicContact CE1-CD1 3.64Å; F230-L264 HydrophobicContact CE1-CD2 4.28Å; F230-L264 HydrophobicContact CG-CD1 4.28Å; F230-L264 HydrophobicContact CG-CD2 3.39Å; F230-L264 HydrophobicContact CG-CG 4.49Å; F230-L264 HydrophobicContact CZ-CD1 4.2Å; L239-L264 HydrophobicContact CD1-CD1 4.46Å; Y252-L264 HydrophobicContact CD1-CD1 4.33Å; Y252-L264 HydrophobicContact CD1-CD2 4.48Å; L264-V266 HydrophobicContact CG-CG2 4.42Å
265C91.4Very high83.4Confident2 Ų261.3 Ų61.31%0.01437%0.37CS..EExtended strand (participates in β ladder)trans-102131.7176.1-62.30000110.7W217 F218 C219 Y252 F253 E255 S263W217-C265 HydrophobicContact CE3-CB 3.7Å; W217-C265 HydrophobicContact CZ3-CB 4.24Å; F218-C265 CarbonylContact O-C 3.47Å; F218-C265 WeakPolarHBondContact O-CA 3.46Å; C219-C265 HydrophobicContact CB-CB 4.18Å; C219-C265 WeakPolarHBondContact CB-SG 3.25Å; C219-C265 WeakPolarHBondContact SG-CB 3.42Å; C219-C265 CovalentContact SG-SG 2.05Å; C219-C265 PolarHBondContact SG-SG 2.79Å; Y252-C265 CarbonylContact C-O 3.6Å; Y252-C265 WeakPolarHBondContact CA-O 3.49Å; F253-C265 PolarHBondContact N-O 2.98Å; F253-C265 PolarHBondContact O-N 3.13Å; E255-C265 PolarHBondContact OE2-SG 2.96Å; E255-C265 VanDerWaalsContact OE2-SG 3.41Å; S263-C265 PolarHBondContact O-N 3.35Å
266V90.9Very high83Confident15 Ų1558.4 Ų58.49%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-118.3124.4178.4-170.60000109W217 F218 R250 I251 Y252 L264W217-V266 WeakPolarHBondContact CA-O 3.19Å; F218-V266 PolarHBondContact N-O 3.01Å; F218-V266 PolarHBondContact O-N 3.03Å; R250-V266 HydrophobicContact CB-CG1 4.12Å; I251-V266 WeakPolarHBondContact O-CA 3.27Å; Y252-V266 HydrophobicContact CD1-CB 4.48Å; Y252-V266 HydrophobicContact CD1-CG1 4.23Å; Y252-V266 HydrophobicContact CD1-CG2 3.56Å; Y252-V266 HydrophobicContact CE1-CB 4.45Å; Y252-V266 HydrophobicContact CE1-CG1 3.92Å; Y252-V266 HydrophobicContact CE1-CG2 3.62Å; Y252-V266 HydrophobicContact CE2-CG1 4.38Å; Y252-V266 HydrophobicContact CG-CG2 4.43Å; L264-V266 HydrophobicContact CG-CG2 4.42Å
267N88.3Confident83Confident50 Ų5060.8 Ų60.827%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-80.3128.1174.1-170.3-78.8000109.9G216 W217 R250 I251G216-N267 WeakPolarHBondContact O-CA 3.41Å; W217-N267 HydrophobicContact CD2-CB 3.96Å; W217-N267 VanDerWaalsContact CE2-ND2 3.32Å; W217-N267 HydrophobicContact CE3-CB 3.84Å; W217-N267 HydrophobicContact CH2-CB 3.87Å; W217-N267 HydrophobicContact CZ2-CB 3.94Å; W217-N267 HydrophobicContact CZ3-CB 3.8Å; W217-N267 PolarHBondContact NE1-ND2 3.35Å; R250-N267 WeakPolarHBondContact CG-O 3.35Å; I251-N267 HydrophobicContact CG2-CB 3.32Å; I251-N267 PolarHBondContact O-N 3.15Å
268S77.3Confident83.9Confident127 Ų12761.7 Ų61.789%0.88837%0.369SS*.  trans-89.60179.463.40000113G216G216-S268 PolarHBondContact O-N 3.04Å; G216-S268 PolarHBondContact O-OG 2.88Å

Retrieved 268 of 268 residues in 1240.4 ms (Link to these results)