A0A3B3V4U1_9TELE Loading...

NSFL1 cofactor p47

AlphaFold DB , UniProt , Accession A0A3B3V4U1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 374 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
1M51.8Low78.3Confident186 Ų18688.5 Ų88.592%0.91645%0.454SS*.  0-51.40-65-174.4177.400111.4S3 Q4 E5M1-S3 PolarHBondContact O-N 2.78Å; M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 2.67Å; M1-E5 PolarHBondContact O-N 2.91Å
2A58.6Low79.1Confident76 Ų7684.5 Ų84.563%0.62844%0.437SS*.Hα-helixtrans-58.3-44178.900000115.2Q4 E5 E6A2-Q4 VanDerWaalsContact C-N 3.25Å; A2-Q4 PolarHBondContact O-N 2.93Å; A2-E5 PolarHBondContact O-N 2.97Å; A2-E6 PolarHBondContact O-N 3.07Å
3S73.1Confident79.7Confident93 Ų9384.5 Ų84.565%0.6546%0.457SS*.Hα-helixtrans-68.7-22.6179.4-530000114.1M1 S7M1-S3 PolarHBondContact O-N 2.78Å; S3-S7 PolarHBondContact O-N 3.27Å; S3-S7 PolarHBondContact O-OG 2.63Å
4Q80.6Confident80Confident78 Ų7884.4 Ų84.436%0.36446%0.46SS..Hα-helixtrans-76.7-43.1178.8-75176.8-41.400110.4M1 A2 E6 S7 V8 W31M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 2.67Å; A2-Q4 VanDerWaalsContact C-N 3.25Å; A2-Q4 PolarHBondContact O-N 2.93Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3Å; Q4-S7 PolarHBondContact O-N 3.2Å; Q4-V8 VanDerWaalsContact O-CG2 3.3Å; Q4-V8 WeakPolarHBondContact O-CG2 3.38Å; Q4-V8 PolarHBondContact O-N 3.46Å; Q4-W31 HydrophobicContact CB-CD2 4.36Å; Q4-W31 HydrophobicContact CB-CE3 3.7Å; Q4-W31 HydrophobicContact CB-CH2 3.62Å; Q4-W31 HydrophobicContact CB-CZ2 4.29Å; Q4-W31 HydrophobicContact CB-CZ3 3.29Å; Q4-W31 HydrophobicContact CG-CD2 3.73Å; Q4-W31 HydrophobicContact CG-CE3 3.53Å; Q4-W31 HydrophobicContact CG-CG 4.46Å; Q4-W31 HydrophobicContact CG-CH2 3.91Å; Q4-W31 HydrophobicContact CG-CZ2 4.09Å; Q4-W31 HydrophobicContact CG-CZ3 3.64Å; Q4-W31 VanDerWaalsContact NE2-CE2 3.34Å; Q4-W31 WeakPolarHBondContact O-CZ3 3.46Å
5E83.1Confident80.1Confident103 Ų10380.4 Ų80.448%0.48144%0.44SS..Hα-helixtrans-65.5-34.1174.6-69.1179.69400112.4M1 A2 V8 R9M1-E5 PolarHBondContact O-N 2.91Å; A2-E5 PolarHBondContact O-N 2.97Å; E5-V8 PolarHBondContact O-N 3.12Å; E5-R9 WeakPolarHBondContact O-CG 3.5Å; E5-R9 PolarHBondContact O-N 2.84Å
6E85.1Confident80.1Confident137 Ų13779.7 Ų79.764%0.6446%0.457SS*.Hα-helixtrans-65.7-44174.7-164.2166.6111.100111.7A2 Q4 V8 R9 E10A2-E6 PolarHBondContact O-N 3.07Å; Q4-E6 VanDerWaalsContact C-N 3.31Å; Q4-E6 PolarHBondContact O-N 3Å; E6-V8 VanDerWaalsContact C-N 3.32Å; E6-V8 PolarHBondContact O-N 3.1Å; E6-R9 PolarHBondContact O-N 3.02Å; E6-E10 PolarHBondContact O-N 3.27Å
7S84.3Confident80.2Confident26 Ų2676.8 Ų76.818%0.18244%0.44CS..Hα-helixtrans-63.1-37.6176.7-56.50000112.2S3 Q4 F11S3-S7 PolarHBondContact O-N 3.27Å; S3-S7 PolarHBondContact O-OG 2.63Å; Q4-S7 PolarHBondContact O-N 3.2Å; S7-F11 WeakPolarHBondContact O-CB 3.39Å; S7-F11 PolarHBondContact O-N 3.36Å
8V87.6Confident80.4Confident2 Ų280.7 Ų80.71%0.01245%0.454CS..Hα-helixtrans-65.5-46.1175.5173.20000110.6Q4 E5 E6 E10 F11 V12 E19 A22 R23 L26 W31Q4-V8 VanDerWaalsContact O-CG2 3.3Å; Q4-V8 WeakPolarHBondContact O-CG2 3.38Å; Q4-V8 PolarHBondContact O-N 3.46Å; E5-V8 PolarHBondContact O-N 3.12Å; E6-V8 VanDerWaalsContact C-N 3.32Å; E6-V8 PolarHBondContact O-N 3.1Å; V8-E10 VanDerWaalsContact C-N 3.34Å; V8-E10 PolarHBondContact O-N 2.91Å; V8-F11 PolarHBondContact O-N 3.46Å; V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.41Å; V8-V12 WeakPolarHBondContact O-CG2 3.44Å; V8-V12 PolarHBondContact O-N 3.4Å; V8-E19 HydrophobicContact CG1-CB 4.2Å; V8-E19 HydrophobicContact CG1-CG 4.27Å; V8-A22 HydrophobicContact CG1-CB 4.23Å; V8-R23 HydrophobicContact CG1-CG 4.16Å; V8-R23 HydrophobicContact CG2-CG 3.54Å; V8-L26 HydrophobicContact CB-CD1 4.25Å; V8-L26 HydrophobicContact CG2-CD1 3.67Å; V8-W31 HydrophobicContact CG2-CH2 4.42Å; V8-W31 HydrophobicContact CG2-CZ3 3.92Å
9R87Confident80.6Confident168 Ų16881 Ų8163%0.63445%0.452SS*.Hα-helixtrans-62.9-40178.5-74.5178.1-179.8179.33.9112.5E5 E6 A13E5-R9 WeakPolarHBondContact O-CG 3.5Å; E5-R9 PolarHBondContact O-N 2.84Å; E6-R9 PolarHBondContact O-N 3.02Å; R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.29Å; R9-A13 PolarHBondContact O-N 3.14Å
10E84.3Confident80.6Confident105 Ų10584.3 Ų84.349%0.49146%0.463SS..Hα-helixtrans-68.6-41.3178.5-162.8172.9-176.300111.5E6 V8 A13 V14 L33E6-E10 PolarHBondContact O-N 3.27Å; V8-E10 VanDerWaalsContact C-N 3.34Å; V8-E10 PolarHBondContact O-N 2.91Å; E10-A13 PolarHBondContact O-N 3.18Å; E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.16Å; E10-V14 PolarHBondContact O-N 3.14Å; E10-V14 VanDerWaalsContact O-N 3.07Å; E10-L33 HydrophobicContact CB-CD1 4.47Å; E10-L33 HydrophobicContact CB-CD2 4.18Å; E10-L33 VanDerWaalsContact CD-CD2 3.44Å; E10-L33 HydrophobicContact CG-CD2 3.83Å; E10-L33 WeakPolarHBondContact OE2-CD2 3.5Å
11F85.9Confident80.6Confident0 Ų086.3 Ų86.30%046%0.464CS..Hα-helixtrans-62.3-44.8174.3-170.1-83.5000112.2S7 V8 A13 V14 T15 A22 F25 L26 L33 A36 L37 F40S7-F11 WeakPolarHBondContact O-CB 3.39Å; S7-F11 PolarHBondContact O-N 3.36Å; V8-F11 PolarHBondContact O-N 3.46Å; F11-A13 VanDerWaalsContact C-N 3.34Å; F11-V14 PolarHBondContact O-N 3.3Å; F11-T15 HydrophobicContact CD1-CG2 4.11Å; F11-T15 WeakPolarHBondContact CD1-OG1 3.42Å; F11-T15 HydrophobicContact CE1-CG2 3.77Å; F11-T15 WeakPolarHBondContact CE1-OG1 3.11Å; F11-T15 HydrophobicContact CE2-CG2 4.31Å; F11-T15 HydrophobicContact CZ-CG2 3.89Å; F11-T15 WeakPolarHBondContact O-CB 3.42Å; F11-T15 PolarHBondContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.08Å; F11-A22 HydrophobicContact CB-CB 4.42Å; F11-A22 HydrophobicContact CD1-CB 3.46Å; F11-A22 VanDerWaalsContact CD1-CB 3.46Å; F11-A22 HydrophobicContact CE1-CB 4.09Å; F11-A22 HydrophobicContact CG-CB 4.25Å; F11-F25 HydrophobicContact CZ-CB 4.09Å; F11-L26 HydrophobicContact CB-CD1 4.07Å; F11-L26 HydrophobicContact CD2-CG 4.47Å; F11-L26 HydrophobicContact CG-CD1 4.45Å; F11-L33 HydrophobicContact CB-CD1 3.72Å; F11-L33 HydrophobicContact CD2-CD1 4.01Å; F11-L33 HydrophobicContact CG-CD1 4.38Å; F11-A36 HydrophobicContact CD2-CB 4.04Å; F11-A36 HydrophobicContact CE2-CB 3.67Å; F11-L37 HydrophobicContact CD2-CD2 3.53Å; F11-L37 HydrophobicContact CD2-CG 3.8Å; F11-L37 HydrophobicContact CE2-CB 4.47Å; F11-L37 HydrophobicContact CE2-CD2 3.57Å; F11-L37 HydrophobicContact CE2-CG 3.9Å; F11-L37 HydrophobicContact CG-CD2 4.23Å; F11-L37 HydrophobicContact CZ-CD2 4.29Å; F11-F40 HydrophobicContact CE2-CB 4.43Å; F11-F40 HydrophobicContact CZ-CB 3.83Å; F11-F40 HydrophobicContact CZ-CD2 4.35Å; F11-F40 HydrophobicContact CZ-CG 4.02Å
12V87.3Confident82.1Confident40 Ų4077.5 Ų77.524%0.24242%0.42CS..Hα-helixtrans-63.3-40.2176169.80000111V8 V14 G16 V17 E19 A22V8-V12 HydrophobicContact CG1-CG2 4.35Å; V8-V12 WeakPolarHBondContact O-CB 3.41Å; V8-V12 WeakPolarHBondContact O-CG2 3.44Å; V8-V12 PolarHBondContact O-N 3.4Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.42Å; V12-G16 VanDerWaalsContact O-CA 3.3Å; V12-G16 WeakPolarHBondContact O-CA 3.5Å; V12-G16 PolarHBondContact O-N 3.29Å; V12-V17 WeakPolarHBondContact CG1-O 3.09Å; V12-V17 WeakPolarHBondContact CG2-O 3.4Å; V12-E19 HydrophobicContact CG2-CG 4.26Å; V12-A22 HydrophobicContact CG2-CB 3.6Å
13A87.2Confident83.5Confident85 Ų8578.5 Ų78.570%0.70241%0.408SS*.Hα-helixtrans-64.6-32.3177.400000113R9 E10 F11R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.29Å; R9-A13 PolarHBondContact O-N 3.14Å; E10-A13 PolarHBondContact O-N 3.18Å; F11-A13 VanDerWaalsContact C-N 3.34Å
14V84.1Confident84Confident82 Ų8280.4 Ų80.450%0.49741%0.405SS..Hα-helixtrans-86.9-36.9-178.5175.10000112.6E10 F11 V12 L37 F41E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.16Å; E10-V14 PolarHBondContact O-N 3.14Å; E10-V14 VanDerWaalsContact O-N 3.07Å; F11-V14 PolarHBondContact O-N 3.3Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.42Å; V14-L37 HydrophobicContact CB-CD2 4.15Å; V14-L37 HydrophobicContact CG1-CD1 4.19Å; V14-L37 HydrophobicContact CG1-CD2 3.83Å; V14-F41 HydrophobicContact CG1-CE2 4.5Å
15T81.4Confident84.1Confident25 Ų2577.8 Ų77.815%0.15339%0.392CS..Hα-helixtrans-100.9-21-17461.60000114.2F11 V17 L37 F40 F41F11-T15 HydrophobicContact CD1-CG2 4.11Å; F11-T15 WeakPolarHBondContact CD1-OG1 3.42Å; F11-T15 HydrophobicContact CE1-CG2 3.77Å; F11-T15 WeakPolarHBondContact CE1-OG1 3.11Å; F11-T15 HydrophobicContact CE2-CG2 4.31Å; F11-T15 HydrophobicContact CZ-CG2 3.89Å; F11-T15 WeakPolarHBondContact O-CB 3.42Å; F11-T15 PolarHBondContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.08Å; T15-V17 VanDerWaalsContact C-N 3.28Å; T15-V17 PolarHBondContact O-N 3.01Å; T15-L37 HydrophobicContact CG2-CD2 3.35Å; T15-F40 HydrophobicContact CG2-CD1 3.46Å; T15-F40 VanDerWaalsContact CG2-CD1 3.46Å; T15-F40 HydrophobicContact CG2-CE1 3.6Å; T15-F40 HydrophobicContact CG2-CG 4.16Å; T15-F40 HydrophobicContact CG2-CZ 4.39Å; T15-F41 HydrophobicContact CG2-CE2 4.15Å; T15-F41 HydrophobicContact CG2-CZ 4.29Å
16G79.8Confident84.2Confident69 Ų6972.9 Ų72.971%0.71137%0.37SS*.  trans74.99.6-177.500000115.2V12V12-G16 VanDerWaalsContact O-CA 3.3Å; V12-G16 WeakPolarHBondContact O-CA 3.5Å; V12-G16 PolarHBondContact O-N 3.29Å
17V82.6Confident84.2Confident30 Ų3072.9 Ų72.918%0.18237%0.369CS..  trans-88.2156.5-174.8-172.80000111.5V12 T15 R21 F40V12-V17 WeakPolarHBondContact CG1-O 3.09Å; V12-V17 WeakPolarHBondContact CG2-O 3.4Å; T15-V17 VanDerWaalsContact C-N 3.28Å; T15-V17 PolarHBondContact O-N 3.01Å; V17-R21 HydrophobicContact CG1-CB 3.66Å; V17-R21 HydrophobicContact CG1-CG 3.76Å; V17-F40 HydrophobicContact CG2-CE1 4.41Å; V17-F40 HydrophobicContact CG2-CE2 3.64Å; V17-F40 HydrophobicContact CG2-CZ 3.46Å; V17-F40 VanDerWaalsContact CG2-CZ 3.46Å
18E84.4Confident84.1Confident148 Ų14875.5 Ų75.569%0.69239%0.388SS*.  trans-62148.1176-169.1165.5-154.500113.4E20 R21 A22E18-E20 PolarHBondContact O-N 3.21Å; E18-E20 VanDerWaalsContact O-N 3.11Å; E18-R21 PolarHBondContact O-N 3.09Å; E18-R21 VanDerWaalsContact O-N 3.12Å; E18-A22 PolarHBondContact O-N 3.32Å; E18-A22 VanDerWaalsContact O-N 3.1Å
19E83.3Confident83.9Confident86 Ų8676.1 Ų76.140%0.40239%0.393SS..Hα-helixtrans-56.3-32.1-173.2-70.6-167.4-179.400113.9V8 V12 R23V8-E19 HydrophobicContact CG1-CB 4.2Å; V8-E19 HydrophobicContact CG1-CG 4.27Å; V12-E19 HydrophobicContact CG2-CG 4.26Å; E19-R23 WeakPolarHBondContact O-CB 3.43Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 2.72Å; E19-R23 IonicContact OE2-CZ 3.63Å; E19-R23 IonicContact OE2-NH1 3.49Å; E19-R23 PolarHBondContact OE2-NH1 3.37Å; E19-R23 IonicContact OE2-NH2 2.98Å; E19-R23 PolarHBondContact OE2-NH2 2.98Å
20E81.3Confident83.9Confident146 Ų14671 Ų7168%0.68239%0.393SS*.Hα-helixtrans-68.7-40.3-179-63.2-169.2161.600112E18 R23 F24E18-E20 PolarHBondContact O-N 3.21Å; E18-E20 VanDerWaalsContact O-N 3.11Å; E20-R23 PolarHBondContact O-N 2.92Å; E20-F24 PolarHBondContact O-N 3.28Å; E20-F24 VanDerWaalsContact O-N 3.12Å
21R80.9Confident83.9Confident128 Ų12870 Ų7048%0.48338%0.384SS..Hα-helixtrans-75.5-35.2177.6-173.8167-176.9168.21.5111V17 E18 R23 F24 F25V17-R21 HydrophobicContact CG1-CB 3.66Å; V17-R21 HydrophobicContact CG1-CG 3.76Å; E18-R21 PolarHBondContact O-N 3.09Å; E18-R21 VanDerWaalsContact O-N 3.12Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 3.33Å; R21-F24 PolarHBondContact O-N 3.1Å; R21-F25 HydrophobicContact CG-CD2 4.09Å; R21-F25 HydrophobicContact CG-CE2 3.87Å; R21-F25 VanDerWaalsContact O-CD2 3.3Å; R21-F25 WeakPolarHBondContact O-CD2 3.43Å; R21-F25 PolarHBondContact O-N 3.25Å
22A83.1Confident83.8Confident0 Ų074 Ų740%041%0.406CS..Hα-helixtrans-59.9-42.7170.200000112.2V8 F11 V12 E18 F24 L26V8-A22 HydrophobicContact CG1-CB 4.23Å; F11-A22 HydrophobicContact CB-CB 4.42Å; F11-A22 HydrophobicContact CD1-CB 3.46Å; F11-A22 VanDerWaalsContact CD1-CB 3.46Å; F11-A22 HydrophobicContact CE1-CB 4.09Å; F11-A22 HydrophobicContact CG-CB 4.25Å; V12-A22 HydrophobicContact CG2-CB 3.6Å; E18-A22 PolarHBondContact O-N 3.32Å; E18-A22 VanDerWaalsContact O-N 3.1Å; A22-F24 PolarHBondContact O-N 3.34Å; A22-L26 WeakPolarHBondContact O-CB 3.42Å; A22-L26 WeakPolarHBondContact O-CD1 3.37Å; A22-L26 WeakPolarHBondContact O-CG 3.42Å; A22-L26 PolarHBondContact O-N 3.12Å
23R86.4Confident83.6Confident97 Ų9773.7 Ų73.737%0.36640%0.403SS..Hα-helixtrans-62.1-41174.9-79-178.5-172.6110.311.5112.2V8 E19 E20 R21 L26 E27V8-R23 HydrophobicContact CG1-CG 4.16Å; V8-R23 HydrophobicContact CG2-CG 3.54Å; E19-R23 WeakPolarHBondContact O-CB 3.43Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 2.72Å; E19-R23 IonicContact OE2-CZ 3.63Å; E19-R23 IonicContact OE2-NH1 3.49Å; E19-R23 PolarHBondContact OE2-NH1 3.37Å; E19-R23 IonicContact OE2-NH2 2.98Å; E19-R23 PolarHBondContact OE2-NH2 2.98Å; E20-R23 PolarHBondContact O-N 2.92Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 3.33Å; R23-L26 PolarHBondContact O-N 3.22Å; R23-E27 VanDerWaalsContact O-CB 3.29Å; R23-E27 WeakPolarHBondContact O-CB 3.33Å; R23-E27 PolarHBondContact O-N 3.32Å
24F84.1Confident83.4Confident133 Ų13377.6 Ų77.658%0.58341%0.407SS*.Hα-helixtrans-60.5-49.4178.5-179.4-98.4000112.4E20 R21 A22 L26 E27 S28E20-F24 PolarHBondContact O-N 3.28Å; E20-F24 VanDerWaalsContact O-N 3.12Å; R21-F24 PolarHBondContact O-N 3.1Å; A22-F24 PolarHBondContact O-N 3.34Å; F24-L26 PolarHBondContact O-N 2.94Å; F24-E27 PolarHBondContact O-N 2.88Å; F24-S28 PolarHBondContact O-N 3.45Å; F24-S28 PolarHBondContact O-OG 3.36Å
25F82.6Confident83.3Confident24 Ų2478.9 Ų78.911%0.10541%0.41CS..Hα-helixtrans-67-36.7178.3-79.8-75.5000112.8F11 R21 S28 A29 A36 F40F11-F25 HydrophobicContact CZ-CB 4.09Å; R21-F25 HydrophobicContact CG-CD2 4.09Å; R21-F25 HydrophobicContact CG-CE2 3.87Å; R21-F25 VanDerWaalsContact O-CD2 3.3Å; R21-F25 WeakPolarHBondContact O-CD2 3.43Å; R21-F25 PolarHBondContact O-N 3.25Å; F25-S28 WeakPolarHBondContact CA-OG 3.37Å; F25-S28 PolarHBondContact O-OG 3.14Å; F25-A29 WeakPolarHBondContact O-CB 3.37Å; F25-A29 PolarHBondContact O-N 3.07Å; F25-A36 HydrophobicContact CB-CB 4.48Å; F25-F40 HydrophobicContact CD2-CD2 4.44Å; F25-F40 HydrophobicContact CE2-CD2 4.15Å; F25-F40 HydrophobicContact CZ-CD2 4.43Å
26L86.6Confident83.4Confident0 Ų077.7 Ų77.70%040%0.403CS..Hα-helixtrans-67-39.9174.3-77.7163000111.3V8 F11 A22 R23 F24 A29 G30 W31 L33 A36V8-L26 HydrophobicContact CB-CD1 4.25Å; V8-L26 HydrophobicContact CG2-CD1 3.67Å; F11-L26 HydrophobicContact CB-CD1 4.07Å; F11-L26 HydrophobicContact CD2-CG 4.47Å; F11-L26 HydrophobicContact CG-CD1 4.45Å; A22-L26 WeakPolarHBondContact O-CB 3.42Å; A22-L26 WeakPolarHBondContact O-CD1 3.37Å; A22-L26 WeakPolarHBondContact O-CG 3.42Å; A22-L26 PolarHBondContact O-N 3.12Å; R23-L26 PolarHBondContact O-N 3.22Å; F24-L26 PolarHBondContact O-N 2.94Å; L26-A29 CarbonylContact O-C 3.54Å; L26-A29 PolarHBondContact O-N 3.32Å; L26-G30 PolarHBondContact O-N 2.86Å; L26-W31 HydrophobicContact CB-CE3 4.21Å; L26-W31 HydrophobicContact CB-CZ3 4.47Å; L26-W31 VanDerWaalsContact O-CA 3.32Å; L26-W31 WeakPolarHBondContact O-CA 3.35Å; L26-W31 PolarHBondContact O-N 3.2Å; L26-L33 HydrophobicContact CD2-CD1 4.33Å; L26-A36 HydrophobicContact CD2-CB 3.93Å; L26-A36 HydrophobicContact CG-CB 4.27Å
27E84.9Confident83.5Confident136 Ų13675.9 Ų75.964%0.63638%0.377SS*.Hα-helixtrans-68.4-42.6178.3-170.7167.4-148.300111.8R23 F24 A29 G30R23-E27 VanDerWaalsContact O-CB 3.29Å; R23-E27 WeakPolarHBondContact O-CB 3.33Å; R23-E27 PolarHBondContact O-N 3.32Å; F24-E27 PolarHBondContact O-N 2.88Å; E27-A29 VanDerWaalsContact C-N 3.27Å; E27-A29 PolarHBondContact O-N 3.47Å; E27-G30 PolarHBondContact O-N 3.23Å; E27-G30 VanDerWaalsContact O-N 3.14Å
28S82Confident83.4Confident81 Ų8176.1 Ų76.157%0.56639%0.385SS*.Hα-helixtrans-64.9-30.6174.959.90000112.9F24 F25 G30F24-S28 PolarHBondContact O-N 3.45Å; F24-S28 PolarHBondContact O-OG 3.36Å; F25-S28 WeakPolarHBondContact CA-OG 3.37Å; F25-S28 PolarHBondContact O-OG 3.14Å; S28-G30 VanDerWaalsContact C-N 3.33Å
29A83.6Confident83.1Confident16 Ų1671.6 Ų71.613%0.13237%0.37CS..THydrogen-bonded Turntrans-89.59.4176.500000113.8F25 L26 E27 W31 N32 L35 A36F25-A29 WeakPolarHBondContact O-CB 3.37Å; F25-A29 PolarHBondContact O-N 3.07Å; L26-A29 CarbonylContact O-C 3.54Å; L26-A29 PolarHBondContact O-N 3.32Å; E27-A29 VanDerWaalsContact C-N 3.27Å; E27-A29 PolarHBondContact O-N 3.47Å; A29-W31 PolarHBondContact O-N 3.06Å; A29-N32 WeakPolarHBondContact O-CB 3.48Å; A29-N32 PolarHBondContact O-N 3.2Å; A29-L35 HydrophobicContact CB-CB 4.29Å; A29-L35 HydrophobicContact CB-CD2 4.23Å; A29-L35 HydrophobicContact CB-CG 4.31Å; A29-A36 HydrophobicContact CB-CB 3.86Å
30G85.4Confident83Confident60 Ų6069.6 Ų69.662%0.61936%0.36SS*.THydrogen-bonded Turntrans65.634.4178.500000114.2L26 E27 S28 N32L26-G30 PolarHBondContact O-N 2.86Å; E27-G30 PolarHBondContact O-N 3.23Å; E27-G30 VanDerWaalsContact O-N 3.14Å; S28-G30 VanDerWaalsContact C-N 3.33Å; G30-N32 VanDerWaalsContact C-N 3.26Å; G30-N32 PolarHBondContact O-N 2.71Å
31W84.3Confident82.8Confident83 Ų8368.5 Ų68.531%0.31435%0.353SS..THydrogen-bonded Turntrans62.424.7-176.7-63.184.9000114.9Q4 V8 L26 A29Q4-W31 HydrophobicContact CB-CD2 4.36Å; Q4-W31 HydrophobicContact CB-CE3 3.7Å; Q4-W31 HydrophobicContact CB-CH2 3.62Å; Q4-W31 HydrophobicContact CB-CZ2 4.29Å; Q4-W31 HydrophobicContact CB-CZ3 3.29Å; Q4-W31 HydrophobicContact CG-CD2 3.73Å; Q4-W31 HydrophobicContact CG-CE3 3.53Å; Q4-W31 HydrophobicContact CG-CG 4.46Å; Q4-W31 HydrophobicContact CG-CH2 3.91Å; Q4-W31 HydrophobicContact CG-CZ2 4.09Å; Q4-W31 HydrophobicContact CG-CZ3 3.64Å; Q4-W31 VanDerWaalsContact NE2-CE2 3.34Å; Q4-W31 WeakPolarHBondContact O-CZ3 3.46Å; V8-W31 HydrophobicContact CG2-CH2 4.42Å; V8-W31 HydrophobicContact CG2-CZ3 3.92Å; L26-W31 HydrophobicContact CB-CE3 4.21Å; L26-W31 HydrophobicContact CB-CZ3 4.47Å; L26-W31 VanDerWaalsContact O-CA 3.32Å; L26-W31 WeakPolarHBondContact O-CA 3.35Å; L26-W31 PolarHBondContact O-N 3.2Å; A29-W31 PolarHBondContact O-N 3.06Å
32N84.6Confident82.1Confident85 Ų8570.7 Ų70.746%0.45537%0.369SS..  trans-93.4106.9172.7-169.9-45.6000110.8A29 G30 Q34 L35 A36A29-N32 WeakPolarHBondContact O-CB 3.48Å; A29-N32 PolarHBondContact O-N 3.2Å; G30-N32 VanDerWaalsContact C-N 3.26Å; G30-N32 PolarHBondContact O-N 2.71Å; N32-Q34 VanDerWaalsContact C-N 3.3Å; N32-Q34 PolarHBondContact O-N 3.2Å; N32-Q34 PolarHBondContact OD1-N 3.46Å; N32-L35 HydrophobicContact CB-CB 4.09Å; N32-L35 PolarHBondContact O-N 2.63Å; N32-L35 PolarHBondContact OD1-N 2.83Å; N32-A36 WeakPolarHBondContact O-CB 3.41Å; N32-A36 PolarHBondContact O-N 3.48Å
33L83.4Confident81Confident34 Ų3475.9 Ų75.918%0.17840%0.396CS..Hα-helixtrans-55.2-42.1-176.6-178.269.8000113E10 F11 L26 A36 L37E10-L33 HydrophobicContact CB-CD1 4.47Å; E10-L33 HydrophobicContact CB-CD2 4.18Å; E10-L33 VanDerWaalsContact CD-CD2 3.44Å; E10-L33 HydrophobicContact CG-CD2 3.83Å; E10-L33 WeakPolarHBondContact OE2-CD2 3.5Å; F11-L33 HydrophobicContact CB-CD1 3.72Å; F11-L33 HydrophobicContact CD2-CD1 4.01Å; F11-L33 HydrophobicContact CG-CD1 4.38Å; L26-L33 HydrophobicContact CD2-CD1 4.33Å; L33-A36 PolarHBondContact O-N 3.37Å; L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 WeakPolarHBondContact O-CB 3.23Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.91Å
34Q82.5Confident78.9Confident167 Ų16773.2 Ų73.278%0.7840%0.399SS*.Hα-helixtrans-75-34.9-172.7-157.1161.9-40.500111.9N32 G38N32-Q34 VanDerWaalsContact C-N 3.3Å; N32-Q34 PolarHBondContact O-N 3.2Å; N32-Q34 PolarHBondContact OD1-N 3.46Å; Q34-G38 PolarHBondContact O-N 3.06Å
35L83.2Confident77.2Confident109 Ų10974.2 Ų74.257%0.57141%0.41SS*.Hα-helixtrans-71.6-38.6173.2-170.268.5000111.4A29 N32 G38 S39A29-L35 HydrophobicContact CB-CB 4.29Å; A29-L35 HydrophobicContact CB-CD2 4.23Å; A29-L35 HydrophobicContact CB-CG 4.31Å; N32-L35 HydrophobicContact CB-CB 4.09Å; N32-L35 PolarHBondContact O-N 2.63Å; N32-L35 PolarHBondContact OD1-N 2.83Å; L35-G38 PolarHBondContact O-N 2.7Å; L35-S39 PolarHBondContact O-N 3.39Å
36A82.6Confident75.1Confident0 Ų079.8 Ų79.80%044%0.441CS..Hα-helixtrans-63.4-45.3175.200000111.5F11 F25 L26 A29 N32 L33 G38 S39 F40F11-A36 HydrophobicContact CD2-CB 4.04Å; F11-A36 HydrophobicContact CE2-CB 3.67Å; F25-A36 HydrophobicContact CB-CB 4.48Å; L26-A36 HydrophobicContact CD2-CB 3.93Å; L26-A36 HydrophobicContact CG-CB 4.27Å; A29-A36 HydrophobicContact CB-CB 3.86Å; N32-A36 WeakPolarHBondContact O-CB 3.41Å; N32-A36 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 3.37Å; A36-G38 VanDerWaalsContact C-N 3.32Å; A36-S39 PolarHBondContact O-N 2.75Å; A36-F40 WeakPolarHBondContact O-CB 3.48Å; A36-F40 PolarHBondContact O-N 2.73Å
37L82.8Confident73.1Confident31 Ų3187.1 Ų87.116%0.16248%0.48CS..Hα-helixtrans-64.6-39.8177-72.7171.9000110.8F11 V14 T15 L33 F40 F41F11-L37 HydrophobicContact CD2-CD2 3.53Å; F11-L37 HydrophobicContact CD2-CG 3.8Å; F11-L37 HydrophobicContact CE2-CB 4.47Å; F11-L37 HydrophobicContact CE2-CD2 3.57Å; F11-L37 HydrophobicContact CE2-CG 3.9Å; F11-L37 HydrophobicContact CG-CD2 4.23Å; F11-L37 HydrophobicContact CZ-CD2 4.29Å; V14-L37 HydrophobicContact CB-CD2 4.15Å; V14-L37 HydrophobicContact CG1-CD1 4.19Å; V14-L37 HydrophobicContact CG1-CD2 3.83Å; T15-L37 HydrophobicContact CG2-CD2 3.35Å; L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 WeakPolarHBondContact O-CB 3.23Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.91Å; L37-F40 PolarHBondContact O-N 3.13Å; L37-F41 HydrophobicContact CD2-CE2 4.25Å; L37-F41 WeakPolarHBondContact O-CD2 3.18Å; L37-F41 PolarHBondContact O-N 3.45Å
38G78.9Confident70.9Confident34 Ų3487 Ų8735%0.35148%0.484SS..Hα-helixtrans-56.2-53.2171.900000111.9Q34 L35 A36 F40 F41 E42Q34-G38 PolarHBondContact O-N 3.06Å; L35-G38 PolarHBondContact O-N 2.7Å; A36-G38 VanDerWaalsContact C-N 3.32Å; G38-F40 VanDerWaalsContact C-N 3.27Å; G38-F40 PolarHBondContact O-N 2.85Å; G38-F41 PolarHBondContact O-N 3.14Å; G38-E42 WeakPolarHBondContact O-CB 3.34Å; G38-E42 PolarHBondContact O-N 3.03Å
39S78.4Confident68.8Low54 Ų5489.4 Ų89.438%0.37849%0.489SS..Hα-helixtrans-61.3-34.1178.3-175.10000113.1L35 A36 D43L35-S39 PolarHBondContact O-N 3.39Å; A36-S39 PolarHBondContact O-N 2.75Å; S39-D43 WeakPolarHBondContact O-CB 3.31Å; S39-D43 PolarHBondContact O-N 2.85Å
40F80.8Confident66.3Low43 Ų4395.2 Ų95.219%0.18952%0.516CS..Hα-helixtrans-73.2-40.2178.9176.1-97.4000113F11 T15 V17 F25 A36 L37 G38F11-F40 HydrophobicContact CE2-CB 4.43Å; F11-F40 HydrophobicContact CZ-CB 3.83Å; F11-F40 HydrophobicContact CZ-CD2 4.35Å; F11-F40 HydrophobicContact CZ-CG 4.02Å; T15-F40 HydrophobicContact CG2-CD1 3.46Å; T15-F40 VanDerWaalsContact CG2-CD1 3.46Å; T15-F40 HydrophobicContact CG2-CE1 3.6Å; T15-F40 HydrophobicContact CG2-CG 4.16Å; T15-F40 HydrophobicContact CG2-CZ 4.39Å; V17-F40 HydrophobicContact CG2-CE1 4.41Å; V17-F40 HydrophobicContact CG2-CE2 3.64Å; V17-F40 HydrophobicContact CG2-CZ 3.46Å; V17-F40 VanDerWaalsContact CG2-CZ 3.46Å; F25-F40 HydrophobicContact CD2-CD2 4.44Å; F25-F40 HydrophobicContact CE2-CD2 4.15Å; F25-F40 HydrophobicContact CZ-CD2 4.43Å; A36-F40 WeakPolarHBondContact O-CB 3.48Å; A36-F40 PolarHBondContact O-N 2.73Å; L37-F40 PolarHBondContact O-N 3.13Å; G38-F40 VanDerWaalsContact C-N 3.27Å; G38-F40 PolarHBondContact O-N 2.85Å
41F77.7Confident63.9Low123 Ų12398.4 Ų98.454%0.53952%0.524SS..Hα-helixtrans-84.2-22.7178.2-74.3-68000113.4V14 T15 L37 G38 G44V14-F41 HydrophobicContact CG1-CE2 4.5Å; T15-F41 HydrophobicContact CG2-CE2 4.15Å; T15-F41 HydrophobicContact CG2-CZ 4.29Å; L37-F41 HydrophobicContact CD2-CE2 4.25Å; L37-F41 WeakPolarHBondContact O-CD2 3.18Å; L37-F41 PolarHBondContact O-N 3.45Å; G38-F41 PolarHBondContact O-N 3.14Å; F41-G44 PolarHBondContact O-N 3.46Å
42E67.2Low61.4Low175 Ų175102.1 Ų102.182%0.81855%0.549SS*.Hα-helixtrans-72.3-31.5172.2-170.9168.9-167.900111.4G38 G44G38-E42 WeakPolarHBondContact O-CB 3.34Å; G38-E42 PolarHBondContact O-N 3.03Å; E42-G44 PolarHBondContact O-N 3.31Å; E42-G44 VanDerWaalsContact O-N 3.11Å
43D59Low59Low109 Ų109103.5 Ų103.558%0.58356%0.563SS**THydrogen-bonded Turntrans-82.532.1171.8-152.649.4000112.6S39 N45S39-D43 WeakPolarHBondContact O-CB 3.31Å; S39-D43 PolarHBondContact O-N 2.85Å; D43-N45 PolarHBondContact O-N 2.87Å
44G42.2Very low56.5Low40 Ų40109.7 Ų109.741%0.41259%0.591SS.*THydrogen-bonded Turntrans-36.5123.3-163.600000117.8F41 E42 D46F41-G44 PolarHBondContact O-N 3.46Å; E42-G44 PolarHBondContact O-N 3.31Å; E42-G44 VanDerWaalsContact O-N 3.11Å; G44-D46 VanDerWaalsContact C-N 3.31Å; G44-D46 PolarHBondContact O-N 3.46Å
45N47.8Very low54.3Low154 Ų154107.8 Ų107.882%0.82459%0.593SS**THydrogen-bonded Turntrans43.432.9146-15684.1000119.3D43D43-N45 PolarHBondContact O-N 2.87Å
46D39.9Very low51.7Low141 Ų141110.8 Ų110.875%0.75460%0.604SS**  trans-94.1103.2162.7-98.7-63.5000109.8G44 D48G44-D46 VanDerWaalsContact C-N 3.31Å; G44-D46 PolarHBondContact O-N 3.46Å; D46-D48 PolarHBondContact O-N 3.49Å
47D43.8Very low49.2Very low154 Ų154114.7 Ų114.782%0.82465%0.645SS**  trans-65.340.1167.4-100.6-57.2000112.3
48D39.7Very low46.5Very low134 Ų134117 Ų11772%0.71768%0.675SS**  trans-14868.6178-91.8-44000111.5D46D46-D48 PolarHBondContact O-N 3.49Å
49I37.5Very low44.2Very low132 Ų132120.8 Ų120.868%0.67770%0.697SS**  trans-103.4100.4153.4-86.1174.7000109T51I49-T51 PolarHBondContact O-N 2.88Å
50I30.7Very low41.9Very low137 Ų137123.5 Ų123.570%0.70372%0.715SS**  trans-53124.7163.7-66.7160.6000108.6L52I50-L52 PolarHBondContact O-N 3.38Å
51T35.8Very low39.5Very low127 Ų127127.7 Ų127.778%0.77975%0.745SS**  trans-45.5115.3170.9-43.60000111.6I49I49-T51 PolarHBondContact O-N 2.88Å
52L30.8Very low37.3Very low161 Ų161127.8 Ų127.884%0.84376%0.76SS**  trans-112.8116163.7-91.6141.4000108.3I50I50-L52 PolarHBondContact O-N 3.38Å
53P34.3Very low35.5Very low114 Ų114130.7 Ų130.774%0.7476%0.764SS**  trans-79.2148.5-175.732.3-33000112
54Q31.4Very low34.2Very low164 Ų164130.7 Ų130.777%0.76677%0.772SS**  trans-49.3143.4174.1-157.3171.437.100113.6E56Q54-E56 PolarHBondContact O-N 3.22Å
55P34.9Very low33.6Very low128 Ų128134.8 Ų134.883%0.83179%0.79SS**  trans-88.9104.3173.633-27.8000110.8
56E28.5Very low32.9Very low172 Ų172131 Ų13180%0.80479%0.787SS**  trans-97.7139.8163.5-77-86.4118.600109.7Q54Q54-E56 PolarHBondContact O-N 3.22Å
57G30.6Very low33.1Very low82 Ų82130.4 Ų130.485%0.84579%0.791SS**  trans-70156.4-174.600000115.2
58G27.4Very low32.5Very low78 Ų78128.8 Ų128.880%0.80479%0.791SS**  trans167.2107.4170.700000114.2
59S28.8Very low32.3Very low115 Ų115127.9 Ų127.980%0.80480%0.795SS**  trans-40.7144.1171.1430000118.5
60S30.7Very low32.4Very low110 Ų110130.5 Ų130.577%0.76981%0.805SS**  167.1129.5114.152.30000114.6
61V30.3Very low33.2Very low132 Ų132130 Ų13080%0.881%0.811SS**  trans28.1129.8153.3-76.10000121
62S32.1Very low33.8Very low124 Ų124135.4 Ų135.487%0.86782%0.817SS**  -164.4148.989.1-71.10000115.3
63R28.9Very low34.6Very low237 Ų237134.6 Ų134.689%0.89482%0.818SS**  trans-68.5153.4-177.2-76.8169153.5-158.2-4.5116.2
64S31.1Very low35.4Very low108 Ų108134.3 Ų134.376%0.75581%0.814SS**  -166105123.749.50000109.5
65T31.3Very low36.3Very low127 Ų127130 Ų13078%0.77980%0.803SS**  57.1108101.5590000116.3
66G31.3Very low37Very low74 Ų74133.1 Ų133.176%0.76380%0.803SS**  trans-74-150.516800000113.7
67P44.2Very low38.4Very low129 Ų129135 Ų13584%0.83880%0.803SS**  cis-141.7174.211.741.3-21.6000116.3
68S31.6Very low39.6Very low119 Ų119136.2 Ų136.283%0.83279%0.79SS**  167.1133.3114.478.50000112.4
69S36.1Very low40.6Very low115 Ų115139.4 Ų139.480%0.80479%0.788SS**  trans-109.5138.2176.344.60000109.7
70Q39.9Very low41.7Very low188 Ų188141.3 Ų141.388%0.87979%0.786SS**  trans-132.1140.1155.2-73.8-144.3-21.200109.4
71P46.9Very low42.4Very low127 Ų127143.3 Ų143.383%0.82578%0.783SS**  trans-85.4128-178.332.8-31.1000111.1
72R48Very low42.9Very low240 Ų240145.5 Ų145.591%0.90679%0.785SS**  trans-93.8127.6162.7-81.1-178.8178.1151.80.1108.6T74R72-T74 PolarHBondContact O-N 3.43Å
73V48Very low43.5Very low143 Ų143143.7 Ų143.787%0.86778%0.777SS**  trans-62.6114.3174.3178.40000108.6
74T52.4Low44.1Very low108 Ų108140.6 Ų140.666%0.66377%0.772SS**  trans-79.2116.6167.844.20000108.2R72R72-T74 PolarHBondContact O-N 3.43Å
75S48.8Very low44.5Very low75 Ų75142.5 Ų142.552%0.52477%0.774SS.*  trans-77.4149.1176.483.20000109.9R77 D78S75-R77 PolarHBondContact O-N 3.06Å; S75-D78 PolarHBondContact O-N 3.41Å
76F50.3Low45.1Very low192 Ų192145.2 Ų145.284%0.84278%0.778SS**THydrogen-bonded Turntrans-54.4-5.4-179.8-131-95.6000115.5
77R58.6Low45.7Very low211 Ų211147.1 Ų147.180%0.79678%0.78SS**THydrogen-bonded Turntrans-84.3-17.8178-150.3140.9-174.3149.40.4113.8S75S75-R77 PolarHBondContact O-N 3.06Å
78D54.5Low45.7Very low109 Ų109145.4 Ų145.458%0.58376%0.764SS**SBendtrans-83.2-31.7-178.5-146.528.3000111.7S75S75-D78 PolarHBondContact O-N 3.41Å
79L48.9Very low46.8Very low145 Ų145148.9 Ų148.976%0.75977%0.767SS**THydrogen-bonded Turntrans-82.9-9.1179.9-90.6154.2000114.6
80M51.3Low47.6Very low155 Ų155152.2 Ų152.276%0.76477%0.77SS**THydrogen-bonded Turntrans-99.4-4.4177.9-144.4162-160.500112.6
81H47.1Very low48.2Very low151 Ų151147.9 Ų147.970%0.69975%0.749SS**SBendtrans-92.7-8178.5-119.4-78.9000113.6
82E40.4Very low48.7Very low179 Ų179142.4 Ų142.484%0.83672%0.716SS**SBendtrans-98.67.4-174.1-145.5159.2110.300113.1
83A44Very low49.5Very low85 Ų85136.2 Ų136.270%0.70270%0.697SS**SBendtrans-1192.3-175.700000115
84E40.6Very low50.7Low172 Ų172135 Ų13580%0.80468%0.677SS**  trans-139.337.1-175.4-60-171.7170.400113.3E86E84-E86 PolarHBondContact O-N 2.97Å
85D41Very low51.5Low148 Ų148135.5 Ų135.579%0.79167%0.67SS**  trans-8743.1173.2-122.2-30000112.1
86E43.8Very low52.7Low184 Ų184138.8 Ų138.886%0.8668%0.675SS**SBendtrans-130.699.9168.4-81.7-174.3135.300109.4E84E84-E86 PolarHBondContact O-N 2.97Å
87S43.7Very low53.5Low115 Ų115131.9 Ų131.980%0.80465%0.654SS**SBendtrans84.953.4154.3-163.70000119.5
88D44.7Very low53.8Low93 Ų93123.8 Ų123.850%0.49764%0.636SS.*  trans-134.427.4163.7-155.620.5000114.9E90 R94D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 3.42Å; D88-R94 IonicContact OD1-NH2 2.72Å; D88-R94 IonicContact OD2-CZ 2.75Å; D88-R94 IonicContact OD2-NH2 3.62Å; D88-R94 PolarHBondContact OD2-NH2 3.41Å
89E53.9Low54.1Low191 Ų191123.2 Ų123.289%0.89366%0.656SS**THydrogen-bonded Turntrans-79.6-5.3176.5-63.7-161.5139.500114.2E91E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 3.31Å
90E53.1Low54.6Low186 Ų186120.1 Ų120.187%0.86965%0.646SS**THydrogen-bonded Turntrans-77-14.6178.5-169.5165.1-170.800112.7D88D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 3.42Å
91E51.5Low55Low97 Ų97122.6 Ų122.645%0.45366%0.656SS.*SBendtrans-96.1108.5178.6-66.2-161.9-174.700111.6E89 R94E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 3.31Å; E91-R94 VanDerWaalsContact CD-NH2 3.28Å; E91-R94 IonicContact OE1-NH2 3.73Å; E91-R94 IonicContact OE2-CZ 2.65Å; E91-R94 IonicContact OE2-NE 3.11Å; E91-R94 PolarHBondContact OE2-NE 3.42Å; E91-R94 VanDerWaalsContact OE2-NE 3.12Å; E91-R94 IonicContact OE2-NH2 2.62Å; E91-R94 PolarHBondContact OE2-NH2 2.98Å
92G58.6Low55.9Low12 Ų12127 Ų12712%0.12467%0.667CS.*  trans-46.9155.1-179.500000114.2R94G92-R94 WeakPolarHBondContact O-CG 3.48Å; G92-R94 PolarHBondContact O-N 3.49Å
93Q64.3Low56.8Low110 Ų110122.5 Ų122.551%0.51466%0.655SS.*  trans-41.8112.8-176.1-78.1173.7-1.600111.5F95 G109 K112Q93-F95 HydrophobicContact CB-CE2 3.85Å; Q93-F95 HydrophobicContact CB-CZ 4.19Å; Q93-F95 WeakPolarHBondContact O-CD2 3.24Å; Q93-F95 WeakPolarHBondContact O-CE2 3.5Å; Q93-F95 PolarHBondContact O-N 2.98Å; Q93-G109 WeakPolarHBondContact O-CA 3.41Å; Q93-G109 PolarHBondContact O-N 3.31Å; Q93-K112 VanDerWaalsContact NE2-CE 3.29Å
94R73Confident58.3Low118 Ų118119.7 Ų119.745%0.44563%0.634SS.*EExtended strand (participates in β ladder)trans-81107-173.8-62.4171.3164.7-176.315108.6D88 E91 G92 Q106D88-R94 IonicContact OD1-NH2 2.72Å; D88-R94 IonicContact OD2-CZ 2.75Å; D88-R94 IonicContact OD2-NH2 3.62Å; D88-R94 PolarHBondContact OD2-NH2 3.41Å; E91-R94 VanDerWaalsContact CD-NH2 3.28Å; E91-R94 IonicContact OE1-NH2 3.73Å; E91-R94 IonicContact OE2-CZ 2.65Å; E91-R94 IonicContact OE2-NE 3.11Å; E91-R94 PolarHBondContact OE2-NE 3.42Å; E91-R94 VanDerWaalsContact OE2-NE 3.12Å; E91-R94 IonicContact OE2-NH2 2.62Å; E91-R94 PolarHBondContact OE2-NH2 2.98Å; G92-R94 WeakPolarHBondContact O-CG 3.48Å; G92-R94 PolarHBondContact O-N 3.49Å; R94-Q106 HydrophobicContact CB-CG 4.07Å; R94-Q106 HydrophobicContact CG-CG 4.43Å; R94-Q106 VanDerWaalsContact CG-NE2 3.3Å; R94-Q106 VanDerWaalsContact NE-NE2 3.17Å
95F70.5Confident59.9Low118 Ų118118.2 Ų118.252%0.51863%0.627SS.*EExtended strand (participates in β ladder)trans-92.5121.2173.8-65.1-83.6000109.2Q93 A97 I107Q93-F95 HydrophobicContact CB-CE2 3.85Å; Q93-F95 HydrophobicContact CB-CZ 4.19Å; Q93-F95 WeakPolarHBondContact O-CD2 3.24Å; Q93-F95 WeakPolarHBondContact O-CE2 3.5Å; Q93-F95 PolarHBondContact O-N 2.98Å; F95-A97 PolarHBondContact O-N 3.4Å; F95-I107 PolarHBondContact N-O 3.05Å; F95-I107 PolarHBondContact O-N 3.47Å
96F72.8Confident61.7Low143 Ų143115.1 Ų115.163%0.62761%0.608SS**EExtended strand (participates in β ladder)trans-87.2109.2176.6-153.3-103.6000109.4G104 Q106F96-G104 VanDerWaalsContact CE1-CA 3.42Å; F96-G104 VanDerWaalsContact CZ-CA 3.49Å; F96-G104 WeakPolarHBondContact CZ-O 3.3Å; F96-Q106 HydrophobicContact CD2-CB 4.41Å
97A67.3Low63.1Low47 Ų47110.7 Ų110.739%0.38859%0.589SS.*EExtended strand (participates in β ladder)trans-103111.6178.300000109.7F95 Q105 I107F95-A97 PolarHBondContact O-N 3.4Å; A97-Q105 PolarHBondContact N-O 3.28Å; A97-Q105 PolarHBondContact O-N 2.88Å; A97-I107 HydrophobicContact CB-CD1 3.52Å; A97-I107 HydrophobicContact CB-CG1 4.09Å
98G64.6Low64.6Low42 Ų42109 Ų10943%0.43357%0.574SS.*EExtended strand (participates in β ladder)trans125.4106175.900000112.7S100 G104G98-S100 PolarHBondContact O-N 3Å; G98-G104 WeakPolarHBondContact O-CA 3.42Å
99G61.6Low65.6Low97 Ų97105 Ų105100%156%0.555SS**EExtended strand (participates in β ladder)trans-9761.2-17900000113.1
100S58.8Low66.2Low79 Ų79101.4 Ų101.455%0.55255%0.548SS*.EExtended strand (participates in β ladder)trans-122.1140.4170176.90000109.9G98 R102 S103G98-S100 PolarHBondContact O-N 3Å; S100-R102 PolarHBondContact O-N 3.06Å; S100-S103 PolarHBondContact O-N 2.63Å; S100-S103 VanDerWaalsContact O-N 3.09Å
101E59.7Low66.6Low207 Ų20798.1 Ų98.197%0.96754%0.543SS*.THydrogen-bonded Turntrans-56.5-8.2-174.8-65.8173.9112.400115.2
102R65.3Low67Low245 Ų245100.4 Ų100.493%0.92555%0.551SS**THydrogen-bonded Turntrans-1341.4175-78.7-165.9-169.7171.94.3116S100S100-R102 PolarHBondContact O-N 3.06Å
103S60.3Low67.1Low84 Ų84109.6 Ų109.659%0.58759%0.588SS**EExtended strand (participates in β ladder)trans-152.1102.9-175.6-169.20000110.6S100S100-S103 PolarHBondContact O-N 2.63Å; S100-S103 VanDerWaalsContact O-N 3.09Å
104G74.9Confident67.2Low26 Ų26110.4 Ų110.427%0.26859%0.59SS.*EExtended strand (participates in β ladder)trans-133.7138.1161.600000109.1F96 G98F96-G104 VanDerWaalsContact CE1-CA 3.42Å; F96-G104 VanDerWaalsContact CZ-CA 3.49Å; F96-G104 WeakPolarHBondContact CZ-O 3.3Å; G98-G104 WeakPolarHBondContact O-CA 3.42Å
105Q74.8Confident67Low140 Ų140107.8 Ų107.865%0.65459%0.589SS**EExtended strand (participates in β ladder)trans-96.9127.5-179.4-168.767.836.900108A97 I107A97-Q105 PolarHBondContact N-O 3.28Å; A97-Q105 PolarHBondContact O-N 2.88Å; Q105-I107 PolarHBondContact O-N 3.03Å
106Q78.3Confident67Low84 Ų84104.4 Ų104.439%0.39358%0.58SS.*EExtended strand (participates in β ladder)trans-78.7121.1171.6-171.3174.8-46.700108.9R94 F96R94-Q106 HydrophobicContact CB-CG 4.07Å; R94-Q106 HydrophobicContact CG-CG 4.43Å; R94-Q106 VanDerWaalsContact CG-NE2 3.3Å; R94-Q106 VanDerWaalsContact NE-NE2 3.17Å; F96-Q106 HydrophobicContact CD2-CB 4.41Å
107I73.2Confident67.1Low91 Ų91100.6 Ų100.647%0.46757%0.567SS.*EExtended strand (participates in β ladder)trans-106.1113.7173.1-57.2179.4000106.8F95 A97 Q105 G109F95-I107 PolarHBondContact N-O 3.05Å; F95-I107 PolarHBondContact O-N 3.47Å; A97-I107 HydrophobicContact CB-CD1 3.52Å; A97-I107 HydrophobicContact CB-CG1 4.09Å; Q105-I107 PolarHBondContact O-N 3.03Å; I107-G109 PolarHBondContact O-N 3.3Å
108V75.1Confident67.6Low80 Ų80102.3 Ų102.349%0.48557%0.567SS.*EExtended strand (participates in β ladder)trans-74.3121.6174.2-176.70000107.9
109G66.8Low68.3Low9 Ų9102.1 Ų102.19%0.09356%0.557CS.*PPolyproline II helixtrans-64.8162.9175.300000111.9Q93 I107Q93-G109 WeakPolarHBondContact O-CA 3.41Å; Q93-G109 PolarHBondContact O-N 3.31Å; I107-G109 PolarHBondContact O-N 3.3Å
110P65.7Low69.3Low114 Ų11497.6 Ų97.674%0.7451%0.51SS*.PPolyproline II helixtrans-51.2140.9175.9-24.233000111.2K112P110-K112 PolarHBondContact O-N 3.29Å
111P61.2Low70.4Confident118 Ų11898.8 Ų98.877%0.76651%0.506SS*.PPolyproline II helixtrans-57.1133.2179.724.5-33.4000109.1
112K61.1Low71.5Confident144 Ų14491.3 Ų91.363%0.62647%0.473SS*.PPolyproline II helixtrans-62.2143.8174.9-71.7-179.5179.6169.40108.4Q93 P110 K114Q93-K112 VanDerWaalsContact NE2-CE 3.29Å; P110-K112 PolarHBondContact O-N 3.29Å; K112-K114 PolarHBondContact O-N 2.84Å
113K60.2Low72.2Confident205 Ų20579.9 Ų79.989%0.89143%0.43SS*.PPolyproline II helixtrans-61123.5172.2-66.3-178-179.9-177.80107.3S115K113-S115 PolarHBondContact O-N 3.14Å; K113-S115 VanDerWaalsContact O-N 3.13Å
114K65.6Low73.3Confident128 Ų12877.9 Ų77.956%0.55741%0.411SS*.PPolyproline II helixtrans-51.3121.2178-69.5-173.4170.7-173.60109.1K112 E118 V119K112-K114 PolarHBondContact O-N 2.84Å; K114-E118 WeakPolarHBondContact CA-OE2 3.48Å; K114-V119 HydrophobicContact CB-CG2 4.05Å
115S69.5Low73.7Confident62 Ų6282.5 Ų82.543%0.43442%0.424SS..PPolyproline II helixtrans-70.6153177.269.80000108.8K113 N117 E118 V119K113-S115 PolarHBondContact O-N 3.14Å; K113-S115 VanDerWaalsContact O-N 3.13Å; S115-N117 PolarHBondContact O-N 2.83Å; S115-N117 VanDerWaalsContact O-N 3.16Å; S115-E118 PolarHBondContact O-N 2.98Å; S115-E118 VanDerWaalsContact O-N 3.12Å; S115-E118 WeakPolarHBondContact OG-CB 3.48Å; S115-E118 PolarHBondContact OG-N 3.27Å; S115-V119 WeakPolarHBondContact O-CG2 3.47Å; S115-V119 PolarHBondContact O-N 2.91Å; S115-V119 VanDerWaalsContact O-N 3.13Å
116S70.5Confident73.8Confident48 Ų4876 Ų7634%0.33640%0.395SS..Hα-helixtrans-57.9-30.2176.347.60000111.8V119 V120 K190S116-V119 PolarHBondContact O-N 2.9Å; S116-V120 WeakPolarHBondContact O-CG2 3.26Å; S116-V120 PolarHBondContact O-N 3.12Å; S116-V120 VanDerWaalsContact O-N 3.1Å; S116-K190 VanDerWaalsContact CB-O 3.31Å; S116-K190 WeakPolarHBondContact CB-O 3.39Å; S116-K190 PolarHBondContact OG-O 2.75Å
117N74.7Confident73.9Confident63 Ų6372.4 Ų72.434%0.33738%0.379SS..Hα-helixtrans-66.7-43.9176.3-154.618000112.3S115 V119 V120 E121 R241S115-N117 PolarHBondContact O-N 2.83Å; S115-N117 VanDerWaalsContact O-N 3.16Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 2.74Å; N117-V120 WeakPolarHBondContact O-CB 3.49Å; N117-V120 PolarHBondContact O-N 2.85Å; N117-E121 WeakPolarHBondContact O-CG 3.36Å; N117-E121 PolarHBondContact O-N 2.99Å; N117-R241 WeakPolarHBondContact OD1-CD 3.23Å; N117-R241 PolarHBondContact OD1-NH1 3.31Å
118E78.3Confident74.2Confident83 Ų8375.6 Ų75.639%0.38839%0.385SS..Hα-helixtrans-63.8-37176.5-170.8-168151.900111.8K114 S115 V120 E121 D122K114-E118 WeakPolarHBondContact CA-OE2 3.48Å; S115-E118 PolarHBondContact O-N 2.98Å; S115-E118 VanDerWaalsContact O-N 3.12Å; S115-E118 WeakPolarHBondContact OG-CB 3.48Å; S115-E118 PolarHBondContact OG-N 3.27Å; E118-V120 VanDerWaalsContact C-N 3.35Å; E118-E121 PolarHBondContact O-N 3.06Å; E118-D122 VanDerWaalsContact O-CB 3.25Å; E118-D122 WeakPolarHBondContact O-CB 3.33Å; E118-D122 PolarHBondContact O-N 3.26Å
119V79.9Confident74.4Confident37 Ų3778.2 Ų78.222%0.22439%0.392CS..Hα-helixtrans-65.9-38.6175.5177.10000111.4K114 S115 S116 N117 L123 Y203 L212K114-V119 HydrophobicContact CB-CG2 4.05Å; S115-V119 WeakPolarHBondContact O-CG2 3.47Å; S115-V119 PolarHBondContact O-N 2.91Å; S115-V119 VanDerWaalsContact O-N 3.13Å; S116-V119 PolarHBondContact O-N 2.9Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 2.74Å; V119-L123 WeakPolarHBondContact O-CB 3.41Å; V119-L123 PolarHBondContact O-N 2.6Å; V119-Y203 HydrophobicContact CG1-CD1 3.86Å; V119-Y203 HydrophobicContact CG1-CE1 4.19Å; V119-L212 HydrophobicContact CG1-CD1 4.37Å
120V82.5Confident74.5Confident3 Ų383.5 Ų83.52%0.01841%0.414CS..Hα-helixtrans-67.9-47.2176.5174.40000110.1S116 N117 E118 L123 F124 L188 Y203S116-V120 WeakPolarHBondContact O-CG2 3.26Å; S116-V120 PolarHBondContact O-N 3.12Å; S116-V120 VanDerWaalsContact O-N 3.1Å; N117-V120 WeakPolarHBondContact O-CB 3.49Å; N117-V120 PolarHBondContact O-N 2.85Å; E118-V120 VanDerWaalsContact C-N 3.35Å; V120-L123 WeakPolarHBondContact O-CB 3.36Å; V120-L123 PolarHBondContact O-N 3.33Å; V120-F124 HydrophobicContact CG1-CD2 3.85Å; V120-F124 HydrophobicContact CG1-CE2 3.93Å; V120-F124 WeakPolarHBondContact O-CD2 3.41Å; V120-F124 PolarHBondContact O-N 3.21Å; V120-L188 HydrophobicContact CB-CD2 4.14Å; V120-L188 HydrophobicContact CG1-CB 4.29Å; V120-L188 HydrophobicContact CG1-CD2 3.92Å; V120-L188 HydrophobicContact CG2-CB 4.26Å; V120-L188 HydrophobicContact CG2-CD2 3.83Å; V120-Y203 WeakPolarHBondContact CG2-OH 3.35Å
121E82Confident74.3Confident103 Ų10380.9 Ų80.948%0.48141%0.409SS..Hα-helixtrans-64.1-43.8-179.1-74.7178164.800112.5N117 E118 L123 F124 K125 R241N117-E121 WeakPolarHBondContact O-CG 3.36Å; N117-E121 PolarHBondContact O-N 2.99Å; E118-E121 PolarHBondContact O-N 3.06Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.69Å; E121-F124 PolarHBondContact O-N 2.77Å; E121-K125 VanDerWaalsContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CB 3.45Å; E121-K125 PolarHBondContact O-N 2.82Å; E121-R241 IonicContact OE1-NH1 3.81Å; E121-R241 PolarHBondContact OE1-NH1 3.21Å
122D81.3Confident74.6Confident51 Ų5177.5 Ų77.527%0.27339%0.39SS..Hα-helixtrans-61.2-35.4174179-95.2000111.7E118 G126 R216E118-D122 VanDerWaalsContact O-CB 3.25Å; E118-D122 WeakPolarHBondContact O-CB 3.33Å; E118-D122 PolarHBondContact O-N 3.26Å; D122-G126 PolarHBondContact O-N 3.48Å; D122-R216 VanDerWaalsContact OD1-CD 3.28Å; D122-R216 WeakPolarHBondContact OD1-CD 3.49Å; D122-R216 IonicContact OD1-CZ 3Å; D122-R216 IonicContact OD1-NE 3.5Å; D122-R216 PolarHBondContact OD1-NE 3.45Å; D122-R216 IonicContact OD1-NH1 3.95Å; D122-R216 PolarHBondContact OD1-NH1 2.81Å; D122-R216 IonicContact OD1-NH2 3.1Å; D122-R216 IonicContact OD2-CZ 3.12Å; D122-R216 IonicContact OD2-NE 2.78Å; D122-R216 IonicContact OD2-NH1 3.88Å; D122-R216 PolarHBondContact OD2-NH1 3.03Å; D122-R216 VanDerWaalsContact OD2-NH1 3.1Å; D122-R216 IonicContact OD2-NH2 2.6Å; D122-R216 PolarHBondContact OD2-NH2 3.38Å
123L81.5Confident74.9Confident4 Ų476.3 Ų76.32%0.02140%0.395CS..Hα-helixtrans-68.6-48.6176.2-167.375.7000112.2V119 V120 E121 K125 G126 A127 L186 L188 L212 I215 R216 M237V119-L123 WeakPolarHBondContact O-CB 3.41Å; V119-L123 PolarHBondContact O-N 2.6Å; V120-L123 WeakPolarHBondContact O-CB 3.36Å; V120-L123 PolarHBondContact O-N 3.33Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.69Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.19Å; L123-G126 PolarHBondContact O-N 2.76Å; L123-A127 VanDerWaalsContact O-CB 3.25Å; L123-A127 WeakPolarHBondContact O-CB 3.32Å; L123-A127 PolarHBondContact O-N 2.83Å; L123-L186 HydrophobicContact CD2-CD2 4.19Å; L123-L188 HydrophobicContact CD2-CD1 4.27Å; L123-L188 HydrophobicContact CD2-CD2 3.52Å; L123-L188 HydrophobicContact CD2-CG 4.43Å; L123-L212 HydrophobicContact CD1-CD2 4.42Å; L123-L212 WeakPolarHBondContact CD1-O 3.33Å; L123-L212 HydrophobicContact CD2-CD2 4.07Å; L123-I215 HydrophobicContact CD1-CB 3.85Å; L123-I215 HydrophobicContact CD1-CG2 3.56Å; L123-I215 HydrophobicContact CD2-CG2 4.24Å; L123-I215 HydrophobicContact CG-CG2 3.99Å; L123-R216 HydrophobicContact CD1-CB 4.22Å; L123-M237 HydrophobicContact CD2-SD 4.45Å
124F81.6Confident75Confident42 Ų4270.8 Ų70.818%0.18438%0.38CS..Hα-helixtrans-64.6-35.8178-89.2-88.7000111.4V120 E121 R128 L188 M237 D239V120-F124 HydrophobicContact CG1-CD2 3.85Å; V120-F124 HydrophobicContact CG1-CE2 3.93Å; V120-F124 WeakPolarHBondContact O-CD2 3.41Å; V120-F124 PolarHBondContact O-N 3.21Å; E121-F124 PolarHBondContact O-N 2.77Å; F124-R128 WeakPolarHBondContact O-CB 3.43Å; F124-R128 WeakPolarHBondContact O-CG 3.29Å; F124-R128 PolarHBondContact O-N 2.82Å; F124-L188 HydrophobicContact CE2-CD1 3.95Å; F124-L188 HydrophobicContact CE2-CD2 4.39Å; F124-L188 HydrophobicContact CZ-CD1 4.38Å; F124-M237 HydrophobicContact CE1-CB 3.94Å; F124-M237 HydrophobicContact CZ-CB 3.89Å; F124-D239 HydrophobicContact CE2-CB 3.99Å; F124-D239 HydrophobicContact CZ-CB 3.85Å
125K83.3Confident74.7Confident123 Ų12370.6 Ų70.654%0.53538%0.384SS..Hα-helixtrans-63.7-52.1173.3-174.6178.1176.9-177.70111.2E121 L123 A127 R128 E129E121-K125 VanDerWaalsContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CB 3.45Å; E121-K125 PolarHBondContact O-N 2.82Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.19Å; K125-A127 VanDerWaalsContact C-N 3.33Å; K125-A127 PolarHBondContact O-N 3.14Å; K125-R128 PolarHBondContact O-N 3.17Å; K125-E129 WeakPolarHBondContact CE-OE1 3.46Å; K125-E129 WeakPolarHBondContact O-CG 3.27Å; K125-E129 PolarHBondContact O-N 3.22Å
126G78.8Confident73.5Confident5 Ų573.4 Ų73.45%0.05240%0.395CS..Hα-helixtrans-60.1-41.8177.200000112.6D122 L123 R128 E129 H130D122-G126 PolarHBondContact O-N 3.48Å; L123-G126 PolarHBondContact O-N 2.76Å; G126-R128 PolarHBondContact O-N 2.82Å; G126-E129 PolarHBondContact O-N 2.8Å; G126-H130 WeakPolarHBondContact O-CB 3.42Å; G126-H130 PolarHBondContact O-CD2 3.4Å; G126-H130 VanDerWaalsContact O-CD2 3.22Å; G126-H130 PolarHBondContact O-N 3.28Å
127A79.9Confident72.7Confident7 Ų779.4 Ų79.46%0.05841%0.41CS..Hα-helixtrans-61.3-44.6175.600000112L123 K125 H130 G131 A132 M237L123-A127 VanDerWaalsContact O-CB 3.25Å; L123-A127 WeakPolarHBondContact O-CB 3.32Å; L123-A127 PolarHBondContact O-N 2.83Å; K125-A127 VanDerWaalsContact C-N 3.33Å; K125-A127 PolarHBondContact O-N 3.14Å; A127-H130 CarbonylContact O-C 3.32Å; A127-H130 PolarHBondContact O-N 2.91Å; A127-G131 PolarHBondContact O-N 2.8Å; A127-A132 VanDerWaalsContact C-CB 3.5Å; A127-A132 HydrophobicContact CB-CB 3.9Å; A127-A132 WeakPolarHBondContact O-CB 3.33Å; A127-A132 PolarHBondContact O-N 3.07Å; A127-M237 HydrophobicContact CB-CE 3.54Å; A127-M237 HydrophobicContact CB-SD 3.74Å
128R79.5Confident71Confident158 Ų15882.7 Ų82.760%0.59643%0.433SS*.Hα-helixtrans-62.9-42.8176.6-77.5173.4178.5-172.91112.2F124 K125 G126 H130 G131F124-R128 WeakPolarHBondContact O-CB 3.43Å; F124-R128 WeakPolarHBondContact O-CG 3.29Å; F124-R128 PolarHBondContact O-N 2.82Å; K125-R128 PolarHBondContact O-N 3.17Å; G126-R128 PolarHBondContact O-N 2.82Å; R128-H130 PolarHBondContact O-N 3.1Å; R128-G131 PolarHBondContact O-N 3.47Å
129E78.9Confident69.2Low135 Ų13580.9 Ų80.963%0.63144%0.436SS*.Hα-helixtrans-62.3-33.1177.4-73.2173.6-178.200112.2K125 G126K125-E129 WeakPolarHBondContact CE-OE1 3.46Å; K125-E129 WeakPolarHBondContact O-CG 3.27Å; K125-E129 PolarHBondContact O-N 3.22Å; G126-E129 PolarHBondContact O-N 2.8Å
130H69.1Low67.4Low120 Ų12089.3 Ų89.356%0.55647%0.47SS*.THydrogen-bonded Turntrans-92.710.4179.8-75.6-77.1000114.6G126 A127 R128G126-H130 WeakPolarHBondContact O-CB 3.42Å; G126-H130 PolarHBondContact O-CD2 3.4Å; G126-H130 VanDerWaalsContact O-CD2 3.22Å; G126-H130 PolarHBondContact O-N 3.28Å; A127-H130 CarbonylContact O-C 3.32Å; A127-H130 PolarHBondContact O-N 2.91Å; R128-H130 PolarHBondContact O-N 3.1Å
131G60.1Low65.1Low60 Ų6091.7 Ų91.762%0.61950%0.495SS*.THydrogen-bonded Turntrans102.414.8169.700000116A127 R128 V133A127-G131 PolarHBondContact O-N 2.8Å; R128-G131 PolarHBondContact O-N 3.47Å; G131-V133 PolarHBondContact O-N 2.93Å
132A68.6Low63.2Low46 Ų4695.6 Ų95.638%0.3852%0.518SS..PPolyproline II helixtrans-69.4125.816900000110.5A127A127-A132 VanDerWaalsContact C-CB 3.5Å; A127-A132 HydrophobicContact CB-CB 3.9Å; A127-A132 WeakPolarHBondContact O-CB 3.33Å; A127-A132 PolarHBondContact O-N 3.07Å
133V67.9Low61.2Low120 Ų12096.2 Ų96.273%0.72754%0.536SS*.PPolyproline II helixtrans-87.9126.5177.7-176.60000108.8G131 L135G131-V133 PolarHBondContact O-N 2.93Å; V133-L135 PolarHBondContact O-N 3.03Å; V133-L135 VanDerWaalsContact O-N 3.15Å
134P62.4Low59.4Low88 Ų88105.1 Ų105.157%0.57158%0.578SS**PPolyproline II helixtrans-60117.6173.2-2233.2000110.6
135L58.9Low57.5Low125 Ų125107.9 Ų107.965%0.65460%0.602SS**  trans-87.5113.2169.3-68.3170.4000108V133 R137V133-L135 PolarHBondContact O-N 3.03Å; V133-L135 VanDerWaalsContact O-N 3.15Å; L135-R137 PolarHBondContact O-N 3.49Å
136D43.5Very low56Low121 Ų121107 Ų10765%0.64761%0.611SS**  trans-70.8120.9177.7-139.8-56.6000109.6T138 G139D136-T138 PolarHBondContact O-N 3.18Å; D136-T138 PolarHBondContact OD1-OG1 3.42Å; D136-G139 PolarHBondContact O-N 3.36Å; D136-G139 VanDerWaalsContact O-O 3.13Å
137R53.1Low54.7Low173 Ų173116 Ų11665%0.65365%0.649SS**THydrogen-bonded Turntrans-59-16.9-175-86.7-177.5162.6174.50.7114.1L135 D239 H240L135-R137 PolarHBondContact O-N 3.49Å; R137-D239 PolarHBondContact NH2-O 3.42Å; R137-H240 PolarHBondContact NH2-CD2 3.3Å; R137-H240 PolarHBondContact NH2-NE2 3.21Å
138T40.9Very low53.5Low133 Ų133119.8 Ų119.882%0.81668%0.681SS**THydrogen-bonded Turntrans-92.2-13.4179.355.20000113.5D136D136-T138 PolarHBondContact O-N 3.18Å; D136-T138 PolarHBondContact OD1-OG1 3.42Å
139G39.5Very low52.4Low44 Ų44120 Ų12045%0.45469%0.686SS.*  trans-102108.516900000109.2D136 G141D136-G139 PolarHBondContact O-N 3.36Å; D136-G139 VanDerWaalsContact O-O 3.13Å; G139-G141 PolarHBondContact O-N 2.82Å
140K41.5Very low51.6Low215 Ų215118.9 Ų118.994%0.93570%0.7SS**  trans-57.177.4140.2-103.4-178.2174176.60106.5L142K140-L142 PolarHBondContact O-N 3.39Å
141G33.9Very low50.9Low53 Ų53120.3 Ų120.355%0.54671%0.705SS.*  trans-56.1136.5168.200000105.9G139 G143G139-G141 PolarHBondContact O-N 2.82Å; G141-G143 PolarHBondContact O-N 2.99Å
142L43.3Very low51Low185 Ų185124.3 Ų124.397%0.96972%0.717SS**  trans-64.245.1169-71.7107000111.4K140 E144K140-L142 PolarHBondContact O-N 3.39Å; L142-E144 PolarHBondContact O-N 3.05Å
143G39Very low50.9Low64 Ų64124 Ų12466%0.6672%0.718SS**  trans-71.4107.416000000105.9G141 S145G141-G143 PolarHBondContact O-N 2.99Å; G143-S145 VanDerWaalsContact C-N 3.28Å; G143-S145 PolarHBondContact O-N 2.69Å
144E43.6Very low51.4Low191 Ų191119.2 Ų119.289%0.89369%0.693SS**  trans-14.979.8170.8-81.6169.7110.100114L142 S146L142-E144 PolarHBondContact O-N 3.05Å; E144-S146 PolarHBondContact O-N 2.99Å
145S41.5Very low52Low99 Ų99116.7 Ų116.769%0.69268%0.683SS**  trans-59.6103.615061.80000102.3G143 K147G143-S145 VanDerWaalsContact C-N 3.28Å; G143-S145 PolarHBondContact O-N 2.69Å; S145-K147 VanDerWaalsContact C-N 3.31Å; S145-K147 PolarHBondContact O-N 3.28Å
146S52.8Low52.9Low104 Ų104118.2 Ų118.273%0.72768%0.681SS**  trans-41.7106.7174.659.70000105.3E144 A148E144-S146 PolarHBondContact O-N 2.99Å; S146-A148 PolarHBondContact O-N 3.1Å
147K49.8Very low54.4Low194 Ų194117.6 Ų117.684%0.84367%0.67SS**  trans-64.689.8174.3-88.1-178.1177.8172.80102.4S145 K149S145-K147 VanDerWaalsContact C-N 3.31Å; S145-K147 PolarHBondContact O-N 3.28Å; K147-K149 PolarHBondContact O-N 2.96Å
148A54.8Low55.1Low88 Ų88116.7 Ų116.773%0.72768%0.677SS**  trans-55.9102.5172.400000103S146 A150S146-A148 PolarHBondContact O-N 3.1Å; A148-A150 PolarHBondContact O-N 3.27Å
149K56.6Low56.5Low161 Ų161111.5 Ų111.570%0.765%0.65SS**  trans-60.5111.8-178.9-105.3173.9174.9172.50104K147 F151K147-K149 PolarHBondContact O-N 2.96Å; K149-F151 PolarHBondContact O-N 3.21Å
150A61.7Low57.7Low112 Ų112114.1 Ų114.193%0.92667%0.668SS**SBendtrans-59-7.5-17900000112.6A148A148-A150 PolarHBondContact O-N 3.27Å
151F54.6Low58.8Low151 Ų151106.2 Ų106.266%0.66264%0.642SS**  trans-132.5113.9176.4-161.6-104.8000110.6K149 G153K149-F151 PolarHBondContact O-N 3.21Å; F151-G153 WeakPolarHBondContact CE1-O 3.35Å
152V63.1Low60.2Low143 Ų143110.4 Ų110.487%0.86766%0.66SS**  trans-116.699.1169.6-174.90000106.9
153G67.3Low61.3Low39 Ų39110.6 Ų110.640%0.40266%0.656SS.*SBendtrans168.9147.9-175.900000110.5F151F151-G153 WeakPolarHBondContact CE1-O 3.35Å
154G77.8Confident62.5Low20 Ų20111.4 Ų111.421%0.20664%0.642CS.*  trans-75.9149.8169.200000111Y168 V169 G171G154-Y168 WeakPolarHBondContact CA-OH 3.26Å; G154-V169 CarbonylContact C-O 3.58Å; G154-V169 VanDerWaalsContact CA-O 3.22Å; G154-V169 WeakPolarHBondContact CA-O 3.37Å; G154-G171 VanDerWaalsContact CA-N 3.32Å
155G74.6Confident63.4Low35 Ų35110.6 Ų110.636%0.36164%0.639SS.*EExtended strand (participates in β ladder)trans-113.6159.717700000111.1V169G155-V169 PolarHBondContact N-O 3.28Å; G155-V169 VanDerWaalsContact N-O 3.09Å; G155-V169 WeakPolarHBondContact O-CA 2.96Å; G155-V169 WeakPolarHBondContact O-CB 3.34Å; G155-V169 PolarHBondContact O-N 3.18Å
156Y77.4Confident64.8Low158 Ų158109.2 Ų109.262%0.6263%0.629SS**EExtended strand (participates in β ladder)trans-95.3129171.6-76.1-96.7000109.5Y168Y156-Y168 HydrophobicContact CD1-CD2 4.31Å; Y156-Y168 AromaticContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CE2 4.41Å; Y156-Y168 AromaticContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CG 4.28Å; Y156-Y168 AromaticContact CE2-CD2 3.39Å; Y156-Y168 HydrophobicContact CE2-CD2 3.39Å; Y156-Y168 AromaticContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CG 4.41Å; Y156-Y168 HydrophobicContact CG-CD2 4.21Å; Y156-Y168 AromaticContact CZ-CD2 3.51Å
157R76Confident65.7Low107 Ų107107.3 Ų107.340%0.40461%0.613SS.*EExtended strand (participates in β ladder)trans-80.2127.1166.496.5-177.9169.1116.72.6107.8E164 S166 T167 V169R157-E164 IonicContact CZ-OE1 3.73Å; R157-E164 IonicContact CZ-OE2 3.76Å; R157-E164 IonicContact NH1-OE1 3.05Å; R157-E164 IonicContact NH1-OE2 3.71Å; R157-E164 PolarHBondContact NH1-OE2 3.08Å; R157-E164 IonicContact NH2-OE1 3.7Å; R157-E164 PolarHBondContact NH2-OE1 3.4Å; R157-E164 IonicContact NH2-OE2 2.91Å; R157-S166 VanDerWaalsContact O-CA 3.23Å; R157-S166 WeakPolarHBondContact O-CA 3.41Å; R157-S166 WeakPolarHBondContact O-CB 3.41Å; R157-T167 WeakPolarHBondContact CD-OG1 3.5Å; R157-T167 WeakPolarHBondContact CG-OG1 3.42Å; R157-T167 PolarHBondContact N-O 3.05Å; R157-T167 PolarHBondContact NE-OG1 3.49Å; R157-T167 VanDerWaalsContact NE-OG1 3.07Å; R157-T167 PolarHBondContact O-N 3.07Å; R157-V169 HydrophobicContact CB-CG2 4.12Å
158L67.7Low66.8Low154 Ų154103.2 Ų103.281%0.80659%0.593SS**PPolyproline II helixtrans-74.6128.1166.4-65166.1000106.6
159G69Low67.6Low25 Ų25102.7 Ų102.726%0.25858%0.581SS.*PPolyproline II helixtrans-53.9140.5-177.400000111.7A161G159-A161 PolarHBondContact O-N 3.25Å
160A64.7Low68Low99 Ų9999.6 Ų99.682%0.81858%0.575SS**SBendtrans-78.1-9.1-177.300000112.4E164A160-E164 PolarHBondContact N-OE2 3.29Å
161A64.6Low68Low49 Ų4995.5 Ų95.541%0.40554%0.544SS..SBendtrans-127151.7177.700000110.3G159 E163 E164G159-A161 PolarHBondContact O-N 3.25Å; A161-E163 PolarHBondContact O-N 2.93Å; A161-E164 PolarHBondContact O-N 3.44Å
162P64.6Low68Low141 Ų14196.3 Ų96.392%0.91655%0.55SS*.THydrogen-bonded Turntrans-62-11.7-179.724.7-34000114.4
163E65.1Low67.4Low189 Ų18999.7 Ų99.788%0.88355%0.547SS*.THydrogen-bonded Turntrans-104.8-0.2176.1-55.8-139.6147.800114A161A161-E163 PolarHBondContact O-N 2.93Å
164E64.8Low66.6Low80 Ų80106.1 Ų106.137%0.37457%0.566SS.*  trans-90.8115.4174.6-90.8-166.6137.500111.1R157 A160 A161R157-E164 IonicContact CZ-OE1 3.73Å; R157-E164 IonicContact CZ-OE2 3.76Å; R157-E164 IonicContact NH1-OE1 3.05Å; R157-E164 IonicContact NH1-OE2 3.71Å; R157-E164 PolarHBondContact NH1-OE2 3.08Å; R157-E164 IonicContact NH2-OE1 3.7Å; R157-E164 PolarHBondContact NH2-OE1 3.4Å; R157-E164 IonicContact NH2-OE2 2.91Å; A160-E164 PolarHBondContact N-OE2 3.29Å; A161-E164 PolarHBondContact O-N 3.44Å
165E63.3Low65Low175 Ų175109.7 Ų109.782%0.81859%0.594SS**  trans-66.8147.6171.4-70.2178.311600111.9T167E165-T167 PolarHBondContact O-N 3.24Å; E165-T167 VanDerWaalsContact O-N 3.14Å
166S69.6Low63.8Low69 Ų69112.6 Ų112.648%0.48361%0.609SS.*  trans-64.7114.5-178.858.90000111.5R157R157-S166 VanDerWaalsContact O-CA 3.23Å; R157-S166 WeakPolarHBondContact O-CA 3.41Å; R157-S166 WeakPolarHBondContact O-CB 3.41Å
167T72.6Confident62.4Low64 Ų64111.7 Ų111.739%0.39362%0.615SS.*EExtended strand (participates in β ladder)trans-92.9131.7178.360.30000110.9R157 E165 V169R157-T167 WeakPolarHBondContact CD-OG1 3.5Å; R157-T167 WeakPolarHBondContact CG-OG1 3.42Å; R157-T167 PolarHBondContact N-O 3.05Å; R157-T167 PolarHBondContact NE-OG1 3.49Å; R157-T167 VanDerWaalsContact NE-OG1 3.07Å; R157-T167 PolarHBondContact O-N 3.07Å; E165-T167 PolarHBondContact O-N 3.24Å; E165-T167 VanDerWaalsContact O-N 3.14Å; T167-V169 PolarHBondContact O-N 2.91Å
168Y73Confident61.3Low109 Ų109111.1 Ų111.143%0.42763%0.627SS.*EExtended strand (participates in β ladder)trans-67.7117.2170.9-175.5-110000110.2G154 Y156 V170G154-Y168 WeakPolarHBondContact CA-OH 3.26Å; Y156-Y168 HydrophobicContact CD1-CD2 4.31Å; Y156-Y168 AromaticContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CD2 3.77Å; Y156-Y168 HydrophobicContact CD2-CE2 4.41Å; Y156-Y168 AromaticContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CD2 3.99Å; Y156-Y168 HydrophobicContact CE1-CG 4.28Å; Y156-Y168 AromaticContact CE2-CD2 3.39Å; Y156-Y168 HydrophobicContact CE2-CD2 3.39Å; Y156-Y168 AromaticContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CE2 3.97Å; Y156-Y168 HydrophobicContact CE2-CG 4.41Å; Y156-Y168 HydrophobicContact CG-CD2 4.21Å; Y156-Y168 AromaticContact CZ-CD2 3.51Å; Y168-V170 HydrophobicContact CD1-CG2 3.88Å; Y168-V170 HydrophobicContact CE1-CB 4.43Å; Y168-V170 HydrophobicContact CE1-CG2 3.81Å
169V71.5Confident60.7Low77 Ų77108.7 Ų108.747%0.46761%0.611SS.*EExtended strand (participates in β ladder)trans-90.1108.1170.9-175.80000107G154 G155 R157 T167 G171G154-V169 CarbonylContact C-O 3.58Å; G154-V169 VanDerWaalsContact CA-O 3.22Å; G154-V169 WeakPolarHBondContact CA-O 3.37Å; G155-V169 PolarHBondContact N-O 3.28Å; G155-V169 VanDerWaalsContact N-O 3.09Å; G155-V169 WeakPolarHBondContact O-CA 2.96Å; G155-V169 WeakPolarHBondContact O-CB 3.34Å; G155-V169 PolarHBondContact O-N 3.18Å; R157-V169 HydrophobicContact CB-CG2 4.12Å; T167-V169 PolarHBondContact O-N 2.91Å; V169-G171 PolarHBondContact O-N 2.85Å
170V66.1Low60.3Low96 Ų96113.2 Ų113.258%0.58263%0.626SS**  trans-60.2107171.7179.50000107.2Y168Y168-V170 HydrophobicContact CD1-CG2 3.88Å; Y168-V170 HydrophobicContact CE1-CB 4.43Å; Y168-V170 HydrophobicContact CE1-CG2 3.81Å
171G60.3Low60.5Low26 Ų26114 Ų11427%0.26862%0.616SS.*  trans-61.4139.3167.500000108G154 V169 R173G154-G171 VanDerWaalsContact CA-N 3.32Å; V169-G171 PolarHBondContact O-N 2.85Å; G171-R173 PolarHBondContact O-N 3.02Å
172E55.7Low61.1Low168 Ų168112.4 Ų112.479%0.78560%0.601SS**  trans-42.999.4178.5-157.6100.1154.100109.6Q174E172-Q174 VanDerWaalsContact C-N 3.26Å; E172-Q174 PolarHBondContact O-N 2.92Å
173R50.9Low61.9Low214 Ų214110.8 Ų110.881%0.80858%0.581SS**  trans-70.899.1166.1-78.6-176.5179.7175.60.3103.3G171 A175G171-R173 PolarHBondContact O-N 3.02Å; R173-A175 VanDerWaalsContact C-N 3.32Å; R173-A175 PolarHBondContact O-N 2.85Å
174Q48.8Very low62.8Low174 Ų174101.8 Ų101.881%0.81354%0.539SS*.  trans-51.7114.2157.6-75.6-159.4-6000104.8E172 S176E172-Q174 VanDerWaalsContact C-N 3.26Å; E172-Q174 PolarHBondContact O-N 2.92Å; Q174-S176 PolarHBondContact O-N 2.68Å
175A45Very low63.8Low95 Ų9599 Ų9979%0.78553%0.528SS*.  trans-54.7100.716300000103.7R173 N177R173-A175 VanDerWaalsContact C-N 3.32Å; R173-A175 PolarHBondContact O-N 2.85Å; A175-N177 PolarHBondContact O-N 2.74Å
176S49.3Very low64.9Low96 Ų9690.7 Ų90.767%0.67149%0.489SS*.  trans-67.179.5169.158.80000104.9Q174 S178Q174-S176 PolarHBondContact O-N 2.68Å; S176-S178 PolarHBondContact O-N 3.42Å
177N47.8Very low65.8Low139 Ų13989.5 Ų89.574%0.74348%0.475SS*.  trans-67.575.9149.5-154.127.6000103.6A175 Q179A175-N177 PolarHBondContact O-N 2.74Å; N177-Q179 PolarHBondContact O-N 3.31Å
178S53.3Low66.5Low94 Ų9486.5 Ų86.566%0.65746%0.456SS*.  trans-76.855.6-169.744.30000109.9S176 Q180S176-S178 PolarHBondContact O-N 3.42Å; S178-Q180 PolarHBondContact O-N 3.48Å
179Q55.4Low67.2Low104 Ų10482.1 Ų82.149%0.48644%0.439SS..  trans-66.5112.4145.5-73.3-166.9-53.900104.8N177 D181 G230N177-Q179 PolarHBondContact O-N 3.31Å; Q179-D181 PolarHBondContact O-N 3.44Å; Q179-G230 PolarHBondContact NE2-O 3.2Å
180Q60.4Low67.7Low120 Ų12083.9 Ų83.956%0.56144%0.441SS*.  trans-65.3105.9-177.9-68.9-171.6-9.700107S178 V182S178-Q180 PolarHBondContact O-N 3.48Å; Q180-V182 HydrophobicContact CB-CG2 4.35Å; Q180-V182 WeakPolarHBondContact O-CG2 3.45Å; Q180-V182 PolarHBondContact O-N 2.69Å
181D68.5Low68.5Low114 Ų11482.6 Ų82.661%0.6143%0.433SS*.  trans-69.5112.2170.6-68.4-21000107.3Q179 Q232Q179-D181 PolarHBondContact O-N 3.44Å; D181-Q232 CarbonylContact C-O 3.57Å; D181-Q232 WeakPolarHBondContact CA-O 3.23Å; D181-Q232 VanDerWaalsContact OD1-CB 3.3Å; D181-Q232 WeakPolarHBondContact OD1-CB 3.39Å; D181-Q232 PolarHBondContact OD1-N 3.03Å
182V77.4Confident69.8Low16 Ų1681.3 Ų81.310%0.09742%0.42CS..EExtended strand (participates in β ladder)trans-103.6115.8-175.2-174.60000108.6Q180 V184 R227 A228 Q232 V233 N234Q180-V182 HydrophobicContact CB-CG2 4.35Å; Q180-V182 WeakPolarHBondContact O-CG2 3.45Å; Q180-V182 PolarHBondContact O-N 2.69Å; V182-V184 HydrophobicContact CG1-CG2 3.62Å; V182-R227 HydrophobicContact CG1-CG 4.31Å; V182-R227 HydrophobicContact CG2-CG 4.39Å; V182-A228 HydrophobicContact CB-CB 4.27Å; V182-A228 HydrophobicContact CG2-CB 3.7Å; V182-Q232 PolarHBondContact N-O 3.13Å; V182-V233 WeakPolarHBondContact O-CA 3.3Å; V182-N234 PolarHBondContact O-N 3.04Å
183H81.3Confident71.3Confident107 Ų10773.3 Ų73.350%0.49538%0.383SS..EExtended strand (participates in β ladder)trans-93.1125.6170.6-166.6-87.7000109.9N234 D236H183-N234 WeakPolarHBondContact CA-O 3.36Å; H183-D236 IonicContact CE1-OD2 2.69Å; H183-D236 PolarHBondContact CE1-OD2 3.49Å; H183-D236 IonicContact NE2-OD2 3.03Å; H183-D236 PolarHBondContact NE2-OD2 2.99Å; H183-D236 VanDerWaalsContact NE2-OD2 3.09Å
184V83.2Confident73Confident1 Ų163.2 Ų63.21%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-132.3129.1-178.9-174.40000110.5V182 L195 L224 N234 L235 D236V182-V184 HydrophobicContact CG1-CG2 3.62Å; V184-L195 HydrophobicContact CG1-CB 4.18Å; V184-L195 HydrophobicContact CG1-CD2 4.15Å; V184-L224 HydrophobicContact CB-CD1 4.48Å; V184-L224 HydrophobicContact CB-CD2 4.46Å; V184-L224 HydrophobicContact CG1-CD2 4.21Å; V184-L224 HydrophobicContact CG2-CD1 4.5Å; V184-L224 HydrophobicContact CG2-CD2 3.91Å; V184-N234 PolarHBondContact N-O 3.16Å; V184-L235 VanDerWaalsContact O-CA 3.3Å; V184-L235 WeakPolarHBondContact O-CA 3.49Å; V184-D236 PolarHBondContact O-N 2.72Å
185V87.1Confident74.7Confident22 Ų2256 Ų5613%0.13331%0.311CS..EExtended strand (participates in β ladder)trans-98.6116174.2-175.30000109.2K187 D196 D236 E238V185-K187 HydrophobicContact CG1-CG 4.14Å; V185-D196 PolarHBondContact O-N 3.32Å; V185-D236 CarbonylContact C-O 3.03Å; V185-D236 HydrophobicContact CG2-CB 4.38Å; V185-E238 HydrophobicContact CG1-CG 3.78Å
186L86.4Confident76.4Confident0 Ų054.5 Ų54.50%029%0.291CS..EExtended strand (participates in β ladder)trans-90.1114.2173.3174.165.7000109.5L123 L188 F193 L195 F211 I215 L235 D236 M237 E238L123-L186 HydrophobicContact CD2-CD2 4.19Å; L186-L188 HydrophobicContact CD2-CD1 4.02Å; L186-L188 HydrophobicContact CG-CD1 3.81Å; L186-F193 HydrophobicContact CD1-CB 3.94Å; L186-F193 HydrophobicContact CD1-CD2 3.42Å; L186-F193 VanDerWaalsContact CD1-CD2 3.42Å; L186-F193 HydrophobicContact CD1-CE2 4.26Å; L186-F193 HydrophobicContact CD1-CG 4Å; L186-L195 HydrophobicContact CB-CD2 4.23Å; L186-L195 HydrophobicContact CD1-CD2 3.51Å; L186-L195 HydrophobicContact CG-CD2 4.45Å; L186-F211 HydrophobicContact CD1-CE1 3.95Å; L186-F211 HydrophobicContact CD1-CZ 4.49Å; L186-F211 HydrophobicContact CD2-CE1 4.38Å; L186-I215 HydrophobicContact CD2-CD1 3.61Å; L186-L235 HydrophobicContact CB-CD2 4.17Å; L186-L235 HydrophobicContact CB-CG 4.4Å; L186-L235 HydrophobicContact CD2-CD2 4.3Å; L186-D236 PolarHBondContact N-O 2.98Å; L186-M237 HydrophobicContact CB-CG 4.5Å; L186-M237 HydrophobicContact CD2-CG 4.23Å; L186-M237 CarbonylContact O-C 3.54Å; L186-M237 WeakPolarHBondContact O-CA 3.43Å; L186-E238 PolarHBondContact O-N 3.07Å
187K87.4Confident77.3Confident44 Ų4454.3 Ų54.319%0.19128%0.282CS..EExtended strand (participates in β ladder)trans-103.5125.7177.4-51.7-173.5-179.1-175.40109.8V185 W189 F193 S194 E238V185-K187 HydrophobicContact CG1-CG 4.14Å; K187-W189 HydrophobicContact CB-CZ2 3.81Å; K187-W189 HydrophobicContact CD-CH2 4.39Å; K187-W189 HydrophobicContact CD-CZ2 3.79Å; K187-W189 HydrophobicContact CG-CZ2 4.44Å; K187-W189 PolarHBondContact O-NE1 3.46Å; K187-F193 CarbonylContact O-C 3.38Å; K187-F193 WeakPolarHBondContact O-CA 3.4Å; K187-F193 WeakPolarHBondContact O-CB 3.15Å; K187-S194 PolarHBondContact N-O 3.09Å; K187-S194 PolarHBondContact O-N 2.96Å; K187-E238 WeakPolarHBondContact CD-OE2 3.41Å; K187-E238 WeakPolarHBondContact CE-OE2 3.42Å; K187-E238 HydrophobicContact CG-CB 4.27Å; K187-E238 WeakPolarHBondContact CG-OE2 3.45Å; K187-E238 IonicContact NZ-OE2 3.24Å
188L87.1Confident78.5Confident0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-102.3114.5-179.2-73.993.4000110.5V120 L123 F124 L186 F193 E238 H240 R241V120-L188 HydrophobicContact CB-CD2 4.14Å; V120-L188 HydrophobicContact CG1-CB 4.29Å; V120-L188 HydrophobicContact CG1-CD2 3.92Å; V120-L188 HydrophobicContact CG2-CB 4.26Å; V120-L188 HydrophobicContact CG2-CD2 3.83Å; L123-L188 HydrophobicContact CD2-CD1 4.27Å; L123-L188 HydrophobicContact CD2-CD2 3.52Å; L123-L188 HydrophobicContact CD2-CG 4.43Å; F124-L188 HydrophobicContact CE2-CD1 3.95Å; F124-L188 HydrophobicContact CE2-CD2 4.39Å; F124-L188 HydrophobicContact CZ-CD1 4.38Å; L186-L188 HydrophobicContact CD2-CD1 4.02Å; L186-L188 HydrophobicContact CG-CD1 3.81Å; L188-F193 HydrophobicContact CG-CB 4.35Å; L188-E238 PolarHBondContact N-O 3.15Å; L188-H240 CarbonylContact O-C 3.59Å; L188-H240 WeakPolarHBondContact O-CA 3.2Å; L188-H240 VanDerWaalsContact O-CB 3.25Å; L188-H240 WeakPolarHBondContact O-CB 3.4Å; L188-H240 PolarHBondContact O-N 2.87Å; L188-R241 PolarHBondContact O-N 2.81Å
189W88.1Confident79.8Confident17 Ų1750.5 Ų50.56%0.06426%0.258CS..EExtended strand (participates in β ladder)trans-104.8169.6-177.7-46.191.6000111.4K187 T191 G192 S194 L200 Y203 H240 E243 F245K187-W189 HydrophobicContact CB-CZ2 3.81Å; K187-W189 HydrophobicContact CD-CH2 4.39Å; K187-W189 HydrophobicContact CD-CZ2 3.79Å; K187-W189 HydrophobicContact CG-CZ2 4.44Å; K187-W189 PolarHBondContact O-NE1 3.46Å; W189-T191 VanDerWaalsContact C-N 3.29Å; W189-T191 PolarHBondContact O-N 2.65Å; W189-G192 CarbonylContact C-O 3.58Å; W189-G192 VanDerWaalsContact CA-O 3.23Å; W189-G192 WeakPolarHBondContact CA-O 3.33Å; W189-G192 WeakPolarHBondContact CB-O 3.02Å; W189-G192 PolarHBondContact N-O 3.07Å; W189-G192 PolarHBondContact O-N 3.34Å; W189-S194 PolarHBondContact NE1-OG 2.95Å; W189-L200 HydrophobicContact CB-CD1 4.21Å; W189-L200 HydrophobicContact CG-CD1 3.95Å; W189-Y203 WeakPolarHBondContact O-CE2 3.49Å; W189-Y203 PolarHBondContact O-OH 2.89Å; W189-Y203 VanDerWaalsContact O-OH 3.04Å; W189-H240 HydrophobicContact CD2-CB 4.06Å; W189-H240 HydrophobicContact CE3-CB 3.55Å; W189-H240 HydrophobicContact CH2-CB 4.46Å; W189-H240 AromaticContact CH2-ND1 3.62Å; W189-H240 HydrophobicContact CZ3-CB 3.78Å; W189-H240 AromaticContact CZ3-CG 3.84Å; W189-H240 AromaticContact CZ3-ND1 3.4Å; W189-H240 WeakPolarHBondContact CZ3-ND1 3.04Å; W189-E243 HydrophobicContact CE3-CB 4.02Å; W189-E243 HydrophobicContact CZ3-CB 3.97Å; W189-F245 AromaticContact CD1-CD2 3.95Å; W189-F245 HydrophobicContact CD2-CB 4.13Å; W189-F245 HydrophobicContact CD2-CD2 4.08Å; W189-F245 AromaticContact CE2-CD2 3.55Å; W189-F245 HydrophobicContact CG-CB 4.09Å; W189-F245 HydrophobicContact CG-CD2 4.32Å; W189-F245 AromaticContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CE2 4.41Å; W189-F245 AromaticContact NE1-CD2 3.47Å
190K82.9Confident81.2Confident115 Ų11547.4 Ų47.450%0.525%0.245SC..THydrogen-bonded Turntrans-54.6-41.6176.8-171.4174.5179.5176.80114.5S116 R241S116-K190 VanDerWaalsContact CB-O 3.31Å; S116-K190 WeakPolarHBondContact CB-O 3.39Å; S116-K190 PolarHBondContact OG-O 2.75Å; K190-R241 WeakPolarHBondContact CB-O 3.4Å
191T82.6Confident82.4Confident68 Ų6844.5 Ų44.542%0.41723%0.229SC..THydrogen-bonded Turntrans-101.1-7.3-172.756.40000113.7W189 L200W189-T191 VanDerWaalsContact C-N 3.29Å; W189-T191 PolarHBondContact O-N 2.65Å; T191-L200 WeakPolarHBondContact OG1-CD2 3.5Å
192G86.4Confident83.3Confident0 Ų042.3 Ų42.30%022%0.22CC..EExtended strand (participates in β ladder)trans171-168.6-173.800000112.9W189 R201 Y203W189-G192 CarbonylContact C-O 3.58Å; W189-G192 VanDerWaalsContact CA-O 3.23Å; W189-G192 WeakPolarHBondContact CA-O 3.33Å; W189-G192 WeakPolarHBondContact CB-O 3.02Å; W189-G192 PolarHBondContact N-O 3.07Å; W189-G192 PolarHBondContact O-N 3.34Å; G192-R201 CarbonylContact C-O 3.59Å; G192-R201 WeakPolarHBondContact CA-O 3.22Å; G192-Y203 PolarHBondContact O-OH 2.95Å
193F87.1Confident83.6Confident0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-126.1156.5174.264.6-87.7000110.8L186 K187 L188 R201 Y203 N208 F211 L212L186-F193 HydrophobicContact CD1-CB 3.94Å; L186-F193 HydrophobicContact CD1-CD2 3.42Å; L186-F193 VanDerWaalsContact CD1-CD2 3.42Å; L186-F193 HydrophobicContact CD1-CE2 4.26Å; L186-F193 HydrophobicContact CD1-CG 4Å; K187-F193 CarbonylContact O-C 3.38Å; K187-F193 WeakPolarHBondContact O-CA 3.4Å; K187-F193 WeakPolarHBondContact O-CB 3.15Å; L188-F193 HydrophobicContact CG-CB 4.35Å; F193-R201 HydrophobicContact CD1-CB 4.27Å; F193-R201 HydrophobicContact CD2-CB 4.26Å; F193-R201 HydrophobicContact CE1-CB 3.95Å; F193-R201 HydrophobicContact CE2-CB 3.95Å; F193-R201 HydrophobicContact CE2-CG 4.44Å; F193-R201 HydrophobicContact CG-CB 4.43Å; F193-R201 HydrophobicContact CZ-CB 3.79Å; F193-R201 PolarHBondContact N-O 2.76Å; F193-R201 WeakPolarHBondContact O-CB 3.4Å; F193-R201 PolarHBondContact O-N 2.72Å; F193-Y203 HydrophobicContact CD1-CD1 4.32Å; F193-Y203 HydrophobicContact CD1-CE1 4.06Å; F193-N208 HydrophobicContact CE1-CB 3.88Å; F193-N208 HydrophobicContact CZ-CB 3.89Å; F193-F211 HydrophobicContact CD2-CD1 4.27Å; F193-F211 HydrophobicContact CD2-CE1 4.05Å; F193-F211 HydrophobicContact CE1-CD1 4.48Å; F193-F211 AromaticContact CE2-CD1 3.32Å; F193-F211 HydrophobicContact CE2-CD1 3.32Å; F193-F211 AromaticContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CE1 3.44Å; F193-F211 VanDerWaalsContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CG 4.16Å; F193-F211 HydrophobicContact CE2-CZ 4.39Å; F193-F211 HydrophobicContact CZ-CB 4.37Å; F193-F211 AromaticContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CD1 3.45Å; F193-F211 VanDerWaalsContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CE1 4.07Å; F193-F211 HydrophobicContact CZ-CG 4.14Å; F193-L212 HydrophobicContact CD1-CD1 4.17Å; F193-L212 HydrophobicContact CD1-CD2 3.87Å; F193-L212 HydrophobicContact CD1-CG 4.22Å; F193-L212 HydrophobicContact CE1-CD1 3.77Å; F193-L212 HydrophobicContact CE1-CD2 3.85Å; F193-L212 HydrophobicContact CE1-CG 3.73Å; F193-L212 HydrophobicContact CG-CD2 4.44Å; F193-L212 HydrophobicContact CZ-CD2 4.4Å; F193-L212 HydrophobicContact CZ-CG 4.26Å
194S87.1Confident83.6Confident1 Ų145.5 Ų45.51%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-128.9150.1174.165.70000110.9K187 W189K187-S194 PolarHBondContact N-O 3.09Å; K187-S194 PolarHBondContact O-N 2.96Å; W189-S194 PolarHBondContact NE1-OG 2.95Å
195L85.5Confident83.7Confident22 Ų2248.9 Ų48.912%0.11526%0.256CS..EExtended strand (participates in β ladder)trans-104.6117.5175.3-59.8174.7000109.5V184 L186 N197 G198 F211 L224V184-L195 HydrophobicContact CG1-CB 4.18Å; V184-L195 HydrophobicContact CG1-CD2 4.15Å; L186-L195 HydrophobicContact CB-CD2 4.23Å; L186-L195 HydrophobicContact CD1-CD2 3.51Å; L186-L195 HydrophobicContact CG-CD2 4.45Å; L195-N197 PolarHBondContact O-N 3.19Å; L195-G198 WeakPolarHBondContact O-CA 3.42Å; L195-G198 PolarHBondContact O-N 3.31Å; L195-F211 HydrophobicContact CD1-CE2 3.86Å; L195-F211 HydrophobicContact CD1-CZ 3.87Å; L195-F211 HydrophobicContact CD2-CE1 3.96Å; L195-F211 HydrophobicContact CD2-CE2 4.24Å; L195-F211 HydrophobicContact CD2-CZ 3.42Å; L195-F211 VanDerWaalsContact CD2-CZ 3.42Å; L195-F211 HydrophobicContact CG-CZ 4.2Å; L195-L224 HydrophobicContact CD1-CD2 4.48Å
196D79.4Confident83.4Confident65 Ų6552.9 Ų52.935%0.34828%0.282SS..THydrogen-bonded Turntrans52.4-107.5180-178.254.7000111.6V185V185-D196 PolarHBondContact O-N 3.32Å
197N69.4Low83.2Confident91 Ų9155.3 Ų55.349%0.48731%0.307SS..THydrogen-bonded Turntrans-107.819.5176.2-62.7-80.2000113.2L195L195-N197 PolarHBondContact O-N 3.19Å
198G71.9Confident83Confident33 Ų3353.9 Ų53.934%0.3430%0.302SS..  trans-80.4177.8-175.400000114.9L195 F245L195-G198 WeakPolarHBondContact O-CA 3.42Å; L195-G198 PolarHBondContact O-N 3.31Å; G198-F245 WeakPolarHBondContact O-CZ 3.38Å
199E81.1Confident82.8Confident120 Ų12056 Ų5656%0.56132%0.319SS*.  trans-65.3147.9176.4-163.970.3-148.200111.7R201 K247E199-R201 PolarHBondContact O-N 2.79Å; E199-K247 WeakPolarHBondContact OE1-CE 3.39Å; E199-K247 IonicContact OE1-NZ 2.72Å; E199-K247 PolarHBondContact OE1-NZ 2.82Å; E199-K247 WeakPolarHBondContact OE2-CE 3.41Å; E199-K247 IonicContact OE2-NZ 3.57Å; E199-K247 PolarHBondContact OE2-NZ 2.64Å
200L84.9Confident82.7Confident40 Ų4059.4 Ų59.421%0.20934%0.339CS..  trans-68.8127.4172-177.867.8000111.1W189 T191 F245W189-L200 HydrophobicContact CB-CD1 4.21Å; W189-L200 HydrophobicContact CG-CD1 3.95Å; T191-L200 WeakPolarHBondContact OG1-CD2 3.5Å; L200-F245 HydrophobicContact CB-CB 4.29Å; L200-F245 HydrophobicContact CB-CD1 3.44Å; L200-F245 VanDerWaalsContact CB-CD1 3.44Å; L200-F245 HydrophobicContact CB-CD2 4.06Å; L200-F245 HydrophobicContact CB-CE1 3.56Å; L200-F245 HydrophobicContact CB-CE2 4.19Å; L200-F245 HydrophobicContact CB-CG 3.67Å; L200-F245 HydrophobicContact CB-CZ 3.94Å; L200-F245 HydrophobicContact CD1-CB 3.72Å; L200-F245 HydrophobicContact CD1-CD1 4.41Å; L200-F245 HydrophobicContact CD1-CD2 3.9Å; L200-F245 HydrophobicContact CD1-CG 3.77Å; L200-F245 HydrophobicContact CD2-CB 3.5Å; L200-F245 HydrophobicContact CD2-CD1 3.9Å; L200-F245 HydrophobicContact CD2-CG 3.83Å; L200-F245 HydrophobicContact CG-CB 4.03Å; L200-F245 HydrophobicContact CG-CD1 4.11Å; L200-F245 HydrophobicContact CG-CD2 4.45Å; L200-F245 HydrophobicContact CG-CG 3.95Å
201R86.3Confident82.8Confident59 Ų5954.5 Ų54.522%0.22332%0.317CS..EExtended strand (participates in β ladder)trans-107.4119.8178.3-71.5179.7176.5-171.8-0.4110.3G192 F193 E199 N208 E223G192-R201 CarbonylContact C-O 3.59Å; G192-R201 WeakPolarHBondContact CA-O 3.22Å; F193-R201 HydrophobicContact CD1-CB 4.27Å; F193-R201 HydrophobicContact CD2-CB 4.26Å; F193-R201 HydrophobicContact CE1-CB 3.95Å; F193-R201 HydrophobicContact CE2-CB 3.95Å; F193-R201 HydrophobicContact CE2-CG 4.44Å; F193-R201 HydrophobicContact CG-CB 4.43Å; F193-R201 HydrophobicContact CZ-CB 3.79Å; F193-R201 PolarHBondContact N-O 2.76Å; F193-R201 WeakPolarHBondContact O-CB 3.4Å; F193-R201 PolarHBondContact O-N 2.72Å; E199-R201 PolarHBondContact O-N 2.79Å; R201-N208 WeakPolarHBondContact CD-OD1 2.97Å; R201-E223 IonicContact CZ-OE1 3.56Å; R201-E223 IonicContact CZ-OE2 3.73Å; R201-E223 IonicContact NH1-OE1 3.53Å; R201-E223 IonicContact NH1-OE2 2.76Å; R201-E223 PolarHBondContact NH1-OE2 2.97Å; R201-E223 VanDerWaalsContact NH2-CD 3.29Å; R201-E223 IonicContact NH2-OE1 3.92Å; R201-E223 PolarHBondContact NH2-OE1 3.09Å; R201-E223 IonicContact NH2-OE2 3.57Å; R201-E223 PolarHBondContact NH2-OE2 2.74Å
202T87.3Confident82.9Confident68 Ų6852 Ų5242%0.41730%0.301SS..EExtended strand (participates in β ladder)trans-74.7147.9-179.757.80000112N204 N208T202-N204 VanDerWaalsContact C-N 3.25Å; T202-N204 PolarHBondContact O-N 2.76Å; T202-N208 PolarHBondContact O-ND2 2.8Å
203Y82.7Confident82.8Confident29 Ų2955.9 Ų55.911%0.11432%0.319CS..THydrogen-bonded Turntrans-65.2-21.8177.6-61.6-70000114.9V119 V120 W189 G192 F193 L212V119-Y203 HydrophobicContact CG1-CD1 3.86Å; V119-Y203 HydrophobicContact CG1-CE1 4.19Å; V120-Y203 WeakPolarHBondContact CG2-OH 3.35Å; W189-Y203 WeakPolarHBondContact O-CE2 3.49Å; W189-Y203 PolarHBondContact O-OH 2.89Å; W189-Y203 VanDerWaalsContact O-OH 3.04Å; G192-Y203 PolarHBondContact O-OH 2.95Å; F193-Y203 HydrophobicContact CD1-CD1 4.32Å; F193-Y203 HydrophobicContact CD1-CE1 4.06Å; Y203-L212 HydrophobicContact CD1-CD1 3.67Å; Y203-L212 HydrophobicContact CE1-CD1 4.21Å
204N81.3Confident82.7Confident160 Ų16056.5 Ų56.586%0.85632%0.324SS*.THydrogen-bonded Turntrans-85.2-6.5-174.4-69.5-41.2000114.5T202T202-N204 VanDerWaalsContact C-N 3.25Å; T202-N204 PolarHBondContact O-N 2.76Å
205D85.1Confident82.5Confident72 Ų7256.8 Ų56.839%0.38533%0.325SS..  trans-88.3124.3-176.7178.912.7000110.5G207 N208 A209D205-G207 PolarHBondContact O-N 3.29Å; D205-G207 PolarHBondContact OD1-N 2.84Å; D205-N208 HydrophobicContact CB-CB 4.35Å; D205-N208 WeakPolarHBondContact CB-ND2 3.5Å; D205-N208 PolarHBondContact O-N 3.02Å; D205-N208 PolarHBondContact OD2-ND2 2.8Å; D205-A209 PolarHBondContact O-N 2.93Å
206P81.8Confident82.3Confident106 Ų10661 Ų6169%0.68834%0.34SS*.Hα-helixtrans-58.1-28.2179.722.2-35.1000114.1N208 A209P206-N208 VanDerWaalsContact C-N 3.3Å; P206-N208 PolarHBondContact O-N 2.8Å; P206-A209 PolarHBondContact O-N 2.81Å
207G81Confident82.5Confident51 Ų5164.4 Ų64.453%0.52635%0.348SS..Hα-helixtrans-64.7-36.3174.200000112.7D205D205-G207 PolarHBondContact O-N 3.29Å; D205-G207 PolarHBondContact OD1-N 2.84Å
208N83.9Confident82.8Confident15 Ų1562.4 Ų62.48%0.0835%0.349CS..Hα-helixtrans-83.6-26.1178.9-60.2-31.7000112.2F193 R201 T202 D205 P206 N210 F211 L212F193-N208 HydrophobicContact CE1-CB 3.88Å; F193-N208 HydrophobicContact CZ-CB 3.89Å; R201-N208 WeakPolarHBondContact CD-OD1 2.97Å; T202-N208 PolarHBondContact O-ND2 2.8Å; D205-N208 HydrophobicContact CB-CB 4.35Å; D205-N208 WeakPolarHBondContact CB-ND2 3.5Å; D205-N208 PolarHBondContact O-N 3.02Å; D205-N208 PolarHBondContact OD2-ND2 2.8Å; P206-N208 VanDerWaalsContact C-N 3.3Å; P206-N208 PolarHBondContact O-N 2.8Å; N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 2.78Å; N208-F211 WeakPolarHBondContact O-CB 3.22Å; N208-F211 PolarHBondContact O-N 2.77Å; N208-F211 VanDerWaalsContact O-N 3.15Å; N208-L212 PolarHBondContact O-N 2.83Å; N208-L212 VanDerWaalsContact O-N 3.07Å
209A82.4Confident83.3Confident43 Ų4366.6 Ų66.636%0.35536%0.359SS..Hα-helixtrans-60.5-42175.500000112D205 P206 F211 L212 E213D205-A209 PolarHBondContact O-N 2.93Å; P206-A209 PolarHBondContact O-N 2.81Å; A209-F211 VanDerWaalsContact C-N 3.25Å; A209-F211 PolarHBondContact O-N 2.85Å; A209-L212 PolarHBondContact O-N 2.86Å; A209-E213 WeakPolarHBondContact O-CB 3.15Å; A209-E213 PolarHBondContact O-N 3.24Å
210N85.6Confident83.3Confident90 Ų9065.1 Ų65.148%0.48135%0.354SS..Hα-helixtrans-62.2-34.5175.7-172.127000112.1N208 A214N208-N210 VanDerWaalsContact C-N 3.33Å; N208-N210 PolarHBondContact O-N 2.78Å; N210-A214 WeakPolarHBondContact O-CB 3.43Å; N210-A214 PolarHBondContact O-N 3.06Å
211F85.9Confident83.1Confident11 Ų1163.5 Ų63.55%0.04835%0.346CS..Hα-helixtrans-66.1-46.6175.5179.6-87.1000111.5L186 F193 L195 N208 A209 A214 I215 P221 L224L186-F211 HydrophobicContact CD1-CE1 3.95Å; L186-F211 HydrophobicContact CD1-CZ 4.49Å; L186-F211 HydrophobicContact CD2-CE1 4.38Å; F193-F211 HydrophobicContact CD2-CD1 4.27Å; F193-F211 HydrophobicContact CD2-CE1 4.05Å; F193-F211 HydrophobicContact CE1-CD1 4.48Å; F193-F211 AromaticContact CE2-CD1 3.32Å; F193-F211 HydrophobicContact CE2-CD1 3.32Å; F193-F211 AromaticContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CE1 3.44Å; F193-F211 VanDerWaalsContact CE2-CE1 3.44Å; F193-F211 HydrophobicContact CE2-CG 4.16Å; F193-F211 HydrophobicContact CE2-CZ 4.39Å; F193-F211 HydrophobicContact CZ-CB 4.37Å; F193-F211 AromaticContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CD1 3.45Å; F193-F211 VanDerWaalsContact CZ-CD1 3.45Å; F193-F211 HydrophobicContact CZ-CE1 4.07Å; F193-F211 HydrophobicContact CZ-CG 4.14Å; L195-F211 HydrophobicContact CD1-CE2 3.86Å; L195-F211 HydrophobicContact CD1-CZ 3.87Å; L195-F211 HydrophobicContact CD2-CE1 3.96Å; L195-F211 HydrophobicContact CD2-CE2 4.24Å; L195-F211 HydrophobicContact CD2-CZ 3.42Å; L195-F211 VanDerWaalsContact CD2-CZ 3.42Å; L195-F211 HydrophobicContact CG-CZ 4.2Å; N208-F211 WeakPolarHBondContact O-CB 3.22Å; N208-F211 PolarHBondContact O-N 2.77Å; N208-F211 VanDerWaalsContact O-N 3.15Å; A209-F211 VanDerWaalsContact C-N 3.25Å; A209-F211 PolarHBondContact O-N 2.85Å; F211-A214 PolarHBondContact O-N 2.87Å; F211-I215 HydrophobicContact CD1-CD1 3.59Å; F211-I215 HydrophobicContact CE1-CD1 3.06Å; F211-I215 HydrophobicContact CE1-CG1 4.34Å; F211-I215 HydrophobicContact CE2-CD1 4.41Å; F211-I215 HydrophobicContact CG-CD1 4.43Å; F211-I215 HydrophobicContact CZ-CD1 3.5Å; F211-I215 VanDerWaalsContact CZ-CD1 3.5Å; F211-I215 WeakPolarHBondContact O-CG1 3.48Å; F211-I215 PolarHBondContact O-N 2.75Å; F211-P221 HydrophobicContact CD2-CB 3.28Å; F211-P221 HydrophobicContact CD2-CG 3.61Å; F211-P221 HydrophobicContact CE2-CB 3.4Å; F211-P221 HydrophobicContact CE2-CG 3.45Å; F211-P221 VanDerWaalsContact CE2-CG 3.45Å; F211-P221 HydrophobicContact CG-CB 4.16Å; F211-P221 HydrophobicContact CG-CG 4.2Å; F211-P221 HydrophobicContact CZ-CB 4.36Å; F211-P221 HydrophobicContact CZ-CG 3.93Å; F211-L224 HydrophobicContact CE2-CD1 4.43Å; F211-L224 HydrophobicContact CE2-CG 4.34Å
212L83.8Confident82.8Confident16 Ų1664.5 Ų64.58%0.08436%0.356CS..Hα-helixtrans-67.1-38.7178-67.6168000112.3V119 L123 F193 Y203 N208 A209 I215 R216V119-L212 HydrophobicContact CG1-CD1 4.37Å; L123-L212 HydrophobicContact CD1-CD2 4.42Å; L123-L212 WeakPolarHBondContact CD1-O 3.33Å; L123-L212 HydrophobicContact CD2-CD2 4.07Å; F193-L212 HydrophobicContact CD1-CD1 4.17Å; F193-L212 HydrophobicContact CD1-CD2 3.87Å; F193-L212 HydrophobicContact CD1-CG 4.22Å; F193-L212 HydrophobicContact CE1-CD1 3.77Å; F193-L212 HydrophobicContact CE1-CD2 3.85Å; F193-L212 HydrophobicContact CE1-CG 3.73Å; F193-L212 HydrophobicContact CG-CD2 4.44Å; F193-L212 HydrophobicContact CZ-CD2 4.4Å; F193-L212 HydrophobicContact CZ-CG 4.26Å; Y203-L212 HydrophobicContact CD1-CD1 3.67Å; Y203-L212 HydrophobicContact CE1-CD1 4.21Å; N208-L212 PolarHBondContact O-N 2.83Å; N208-L212 VanDerWaalsContact O-N 3.07Å; A209-L212 PolarHBondContact O-N 2.86Å; L212-I215 PolarHBondContact O-N 2.83Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 PolarHBondContact O-N 3.35Å
213E85.1Confident82.5Confident82 Ų8265.6 Ų65.638%0.38336%0.356SS..Hα-helixtrans-65.2-41.3177.4-172.2-178175.600111.9A209 I215 R216 R217A209-E213 WeakPolarHBondContact O-CB 3.15Å; A209-E213 PolarHBondContact O-N 3.24Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-R216 WeakPolarHBondContact O-CB 3.43Å; E213-R216 PolarHBondContact O-N 3.2Å; E213-R217 WeakPolarHBondContact O-CG 3.49Å; E213-R217 PolarHBondContact O-N 3.49Å; E213-R217 IonicContact OE1-CZ 3.79Å; E213-R217 IonicContact OE1-NE 3.41Å; E213-R217 IonicContact OE1-NH1 3.16Å; E213-R217 IonicContact OE1-NH2 3.77Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å
214A84.9Confident82.4Confident12 Ų1264.4 Ų64.410%0.09935%0.352CS..Hα-helixtrans-59.7-47174.400000110.9N210 F211 R216 R217 G218 E219 P221N210-A214 WeakPolarHBondContact O-CB 3.43Å; N210-A214 PolarHBondContact O-N 3.06Å; F211-A214 PolarHBondContact O-N 2.87Å; A214-R216 PolarHBondContact O-N 2.86Å; A214-R217 CarbonylContact O-C 3.51Å; A214-R217 PolarHBondContact O-N 2.62Å; A214-G218 PolarHBondContact O-N 3.04Å; A214-E219 CarbonylContact C-O 3.55Å; A214-E219 VanDerWaalsContact C-O 3.28Å; A214-E219 HydrophobicContact CB-CB 4.4Å; A214-E219 WeakPolarHBondContact O-CA 3.18Å; A214-E219 PolarHBondContact O-N 3.32Å; A214-E219 VanDerWaalsContact O-O 3.07Å; A214-P221 HydrophobicContact CB-CB 4.46Å; A214-P221 HydrophobicContact CB-CG 4.14Å
215I83.6Confident82.2Confident7 Ų763.5 Ų63.54%0.03634%0.336CS..Hα-helixtrans-64.1-41.8177.2-67.4163.1000111.7L123 L186 F211 L212 E213 R217 G218 P221 L235 M237L123-I215 HydrophobicContact CD1-CB 3.85Å; L123-I215 HydrophobicContact CD1-CG2 3.56Å; L123-I215 HydrophobicContact CD2-CG2 4.24Å; L123-I215 HydrophobicContact CG-CG2 3.99Å; L186-I215 HydrophobicContact CD2-CD1 3.61Å; F211-I215 HydrophobicContact CD1-CD1 3.59Å; F211-I215 HydrophobicContact CE1-CD1 3.06Å; F211-I215 HydrophobicContact CE1-CG1 4.34Å; F211-I215 HydrophobicContact CE2-CD1 4.41Å; F211-I215 HydrophobicContact CG-CD1 4.43Å; F211-I215 HydrophobicContact CZ-CD1 3.5Å; F211-I215 VanDerWaalsContact CZ-CD1 3.5Å; F211-I215 WeakPolarHBondContact O-CG1 3.48Å; F211-I215 PolarHBondContact O-N 2.75Å; L212-I215 PolarHBondContact O-N 2.83Å; E213-I215 VanDerWaalsContact C-N 3.35Å; I215-R217 PolarHBondContact O-N 2.82Å; I215-G218 PolarHBondContact O-N 3.22Å; I215-P221 HydrophobicContact CD1-CG 4.05Å; I215-P221 HydrophobicContact CG1-CG 3.64Å; I215-L235 HydrophobicContact CD1-CD1 4.34Å; I215-M237 HydrophobicContact CG2-CE 3.24Å; I215-M237 HydrophobicContact CG2-SD 4.22Å
216R81.9Confident81.9Confident110 Ų11066.8 Ų66.842%0.41535%0.35SS..Hα-helixtrans-56.3-36.7175.9179.9-172.3169.4140.47.8111.5D122 L123 L212 E213 A214 G218D122-R216 VanDerWaalsContact OD1-CD 3.28Å; D122-R216 WeakPolarHBondContact OD1-CD 3.49Å; D122-R216 IonicContact OD1-CZ 3Å; D122-R216 IonicContact OD1-NE 3.5Å; D122-R216 PolarHBondContact OD1-NE 3.45Å; D122-R216 IonicContact OD1-NH1 3.95Å; D122-R216 PolarHBondContact OD1-NH1 2.81Å; D122-R216 IonicContact OD1-NH2 3.1Å; D122-R216 IonicContact OD2-CZ 3.12Å; D122-R216 IonicContact OD2-NE 2.78Å; D122-R216 IonicContact OD2-NH1 3.88Å; D122-R216 PolarHBondContact OD2-NH1 3.03Å; D122-R216 VanDerWaalsContact OD2-NH1 3.1Å; D122-R216 IonicContact OD2-NH2 2.6Å; D122-R216 PolarHBondContact OD2-NH2 3.38Å; L123-R216 HydrophobicContact CD1-CB 4.22Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 PolarHBondContact O-N 3.35Å; E213-R216 WeakPolarHBondContact O-CB 3.43Å; E213-R216 PolarHBondContact O-N 3.2Å; A214-R216 PolarHBondContact O-N 2.86Å; R216-G218 VanDerWaalsContact C-N 3.28Å
217R82.7Confident81.6Confident138 Ų13868.6 Ų68.652%0.52134%0.343SS..THydrogen-bonded Turntrans-82.5-1.3177-68.7179.2177.4172.96113.9E213 A214 I215 E219E213-R217 WeakPolarHBondContact O-CG 3.49Å; E213-R217 PolarHBondContact O-N 3.49Å; E213-R217 IonicContact OE1-CZ 3.79Å; E213-R217 IonicContact OE1-NE 3.41Å; E213-R217 IonicContact OE1-NH1 3.16Å; E213-R217 IonicContact OE1-NH2 3.77Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å; A214-R217 CarbonylContact O-C 3.51Å; A214-R217 PolarHBondContact O-N 2.62Å; I215-R217 PolarHBondContact O-N 2.82Å; R217-E219 HydrophobicContact CB-CG 4.27Å; R217-E219 PolarHBondContact O-N 3.17Å
218G76.3Confident81.2Confident49 Ų4966.2 Ų66.251%0.50532%0.318SS..THydrogen-bonded Turntrans69.116.1-171.800000113.8A214 I215 R216A214-G218 PolarHBondContact O-N 3.04Å; I215-G218 PolarHBondContact O-N 3.22Å; R216-G218 VanDerWaalsContact C-N 3.28Å
219E82.6Confident80.7Confident120 Ų12075.9 Ų75.956%0.56135%0.353SS*.PPolyproline II helixtrans-89143.4174.5-67.6-172.5167.300111.1A214 R217 P221A214-E219 CarbonylContact C-O 3.55Å; A214-E219 VanDerWaalsContact C-O 3.28Å; A214-E219 HydrophobicContact CB-CB 4.4Å; A214-E219 WeakPolarHBondContact O-CA 3.18Å; A214-E219 PolarHBondContact O-N 3.32Å; A214-E219 VanDerWaalsContact O-O 3.07Å; R217-E219 HydrophobicContact CB-CG 4.27Å; R217-E219 PolarHBondContact O-N 3.17Å; E219-P221 VanDerWaalsContact O-CD 3.27Å; E219-P221 WeakPolarHBondContact O-CD 3.39Å
220I79.9Confident80Confident89 Ų8976.1 Ų76.146%0.45636%0.359SS..PPolyproline II helixtrans-73120.6177.2-61.2166.1000109.2L224 R225 V233I220-L224 HydrophobicContact CG2-CB 3.97Å; I220-R225 HydrophobicContact CG2-CB 4.33Å; I220-V233 HydrophobicContact CD1-CB 4.26Å; I220-V233 HydrophobicContact CG2-CB 4.15Å; I220-V233 HydrophobicContact CG2-CG1 4.24Å; I220-V233 HydrophobicContact CG2-CG2 4.14Å
221P81.9Confident79.5Confident6 Ų672.5 Ų72.54%0.03934%0.343CS..PPolyproline II helixtrans-56.7144177.9-2736.1000112.8F211 A214 I215 E219 E223 L224 R225F211-P221 HydrophobicContact CD2-CB 3.28Å; F211-P221 HydrophobicContact CD2-CG 3.61Å; F211-P221 HydrophobicContact CE2-CB 3.4Å; F211-P221 HydrophobicContact CE2-CG 3.45Å; F211-P221 VanDerWaalsContact CE2-CG 3.45Å; F211-P221 HydrophobicContact CG-CB 4.16Å; F211-P221 HydrophobicContact CG-CG 4.2Å; F211-P221 HydrophobicContact CZ-CB 4.36Å; F211-P221 HydrophobicContact CZ-CG 3.93Å; A214-P221 HydrophobicContact CB-CB 4.46Å; A214-P221 HydrophobicContact CB-CG 4.14Å; I215-P221 HydrophobicContact CD1-CG 4.05Å; I215-P221 HydrophobicContact CG1-CG 3.64Å; E219-P221 VanDerWaalsContact O-CD 3.27Å; E219-P221 WeakPolarHBondContact O-CD 3.39Å; P221-E223 PolarHBondContact O-N 2.96Å; P221-E223 VanDerWaalsContact O-N 3.08Å; P221-L224 PolarHBondContact O-N 3.31Å; P221-R225 PolarHBondContact O-N 3.37Å; P221-R225 VanDerWaalsContact O-N 3.09Å
222L78.3Confident79.1Confident80 Ų8077.5 Ų77.542%0.41937%0.367SS..Hα-helixtrans-52.8-36.6-175.7-66.3173.7000113.1R225 Q226L222-R225 PolarHBondContact O-N 3.47Å; L222-Q226 WeakPolarHBondContact O-CB 3.47Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.36Å; L222-Q226 PolarHBondContact O-N 2.95Å
223E80.9Confident79Confident91 Ų9177.6 Ų77.643%0.42537%0.368SS..Hα-helixtrans-64.3-40.9178.8-66.5-166.3148.100112.7R201 P221 R227R201-E223 IonicContact CZ-OE1 3.56Å; R201-E223 IonicContact CZ-OE2 3.73Å; R201-E223 IonicContact NH1-OE1 3.53Å; R201-E223 IonicContact NH1-OE2 2.76Å; R201-E223 PolarHBondContact NH1-OE2 2.97Å; R201-E223 VanDerWaalsContact NH2-CD 3.29Å; R201-E223 IonicContact NH2-OE1 3.92Å; R201-E223 PolarHBondContact NH2-OE1 3.09Å; R201-E223 IonicContact NH2-OE2 3.57Å; R201-E223 PolarHBondContact NH2-OE2 2.74Å; P221-E223 PolarHBondContact O-N 2.96Å; P221-E223 VanDerWaalsContact O-N 3.08Å; E223-R227 WeakPolarHBondContact O-CB 3.27Å; E223-R227 PolarHBondContact O-N 2.92Å; E223-R227 VanDerWaalsContact O-N 3.07Å
224L80.9Confident78.9Confident5 Ų577 Ų773%0.02637%0.368CS..Hα-helixtrans-73.8-37178.9-57.8-171.6000111.2V184 L195 F211 I220 P221 R227 A228 V233 L235V184-L224 HydrophobicContact CB-CD1 4.48Å; V184-L224 HydrophobicContact CB-CD2 4.46Å; V184-L224 HydrophobicContact CG1-CD2 4.21Å; V184-L224 HydrophobicContact CG2-CD1 4.5Å; V184-L224 HydrophobicContact CG2-CD2 3.91Å; L195-L224 HydrophobicContact CD1-CD2 4.48Å; F211-L224 HydrophobicContact CE2-CD1 4.43Å; F211-L224 HydrophobicContact CE2-CG 4.34Å; I220-L224 HydrophobicContact CG2-CB 3.97Å; P221-L224 PolarHBondContact O-N 3.31Å; L224-R227 WeakPolarHBondContact O-CB 3.32Å; L224-R227 PolarHBondContact O-N 3.29Å; L224-A228 WeakPolarHBondContact O-CB 3.4Å; L224-A228 PolarHBondContact O-N 3.14Å; L224-V233 HydrophobicContact CB-CG1 3.93Å; L224-V233 HydrophobicContact CB-CG2 4.43Å; L224-V233 HydrophobicContact CD1-CG1 4.06Å; L224-L235 HydrophobicContact CD1-CD1 3.52Å
225R78.4Confident78.8Confident141 Ų14178.7 Ų78.753%0.53238%0.375SS..Hα-helixtrans-63.1-41.9174.7-169.8-179.972-167.57.7112.4I220 P221 L222 R227 A228 R229I220-R225 HydrophobicContact CG2-CB 4.33Å; P221-R225 PolarHBondContact O-N 3.37Å; P221-R225 VanDerWaalsContact O-N 3.09Å; L222-R225 PolarHBondContact O-N 3.47Å; R225-R227 VanDerWaalsContact C-N 3.33Å; R225-A228 PolarHBondContact O-N 3Å; R225-R229 PolarHBondContact O-N 3.08Å
226Q78.9Confident78.9Confident141 Ų14180.8 Ų80.866%0.65939%0.386SS*.Hα-helixtrans-65.2-39.7175.1-74.3176.725.300111.2L222 R229L222-Q226 WeakPolarHBondContact O-CB 3.47Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.36Å; L222-Q226 PolarHBondContact O-N 2.95Å; Q226-R229 PolarHBondContact O-N 3.24Å
227R75.3Confident79Confident144 Ų14477.9 Ų77.954%0.54338%0.378SS..Hα-helixtrans-64.1-41.4177-170.3170.9-178.5175.1-1.9112.4V182 E223 L224 R225 R229V182-R227 HydrophobicContact CG1-CG 4.31Å; V182-R227 HydrophobicContact CG2-CG 4.39Å; E223-R227 WeakPolarHBondContact O-CB 3.27Å; E223-R227 PolarHBondContact O-N 2.92Å; E223-R227 VanDerWaalsContact O-N 3.07Å; L224-R227 WeakPolarHBondContact O-CB 3.32Å; L224-R227 PolarHBondContact O-N 3.29Å; R225-R227 VanDerWaalsContact C-N 3.33Å; R227-R229 VanDerWaalsContact C-N 3.27Å; R227-R229 PolarHBondContact O-N 3.07Å
228A72.1Confident79.1Confident1 Ų174.4 Ų74.41%0.00837%0.368CS..THydrogen-bonded Turntrans-77.3-7.6178.500000114.4V182 L224 R225 G230 G231 V233V182-A228 HydrophobicContact CB-CB 4.27Å; V182-A228 HydrophobicContact CG2-CB 3.7Å; L224-A228 WeakPolarHBondContact O-CB 3.4Å; L224-A228 PolarHBondContact O-N 3.14Å; R225-A228 PolarHBondContact O-N 3Å; A228-G230 PolarHBondContact O-N 3Å; A228-G231 PolarHBondContact O-N 2.72Å; A228-V233 HydrophobicContact CB-CG2 3.45Å; A228-V233 VanDerWaalsContact CB-CG2 3.45Å
229R73.6Confident79.5Confident218 Ų21874.2 Ų74.282%0.82336%0.355SS*.THydrogen-bonded Turntrans45.836.7-175.9-62.1-167.4177.4-145.61113.2R225 Q226 R227R225-R229 PolarHBondContact O-N 3.08Å; Q226-R229 PolarHBondContact O-N 3.24Å; R227-R229 VanDerWaalsContact C-N 3.27Å; R227-R229 PolarHBondContact O-N 3.07Å
230G67.6Low79.5Confident47 Ų4769.8 Ų69.849%0.48533%0.334SS..THydrogen-bonded Turntrans88.69.3-178.200000116.1Q179 A228Q179-G230 PolarHBondContact NE2-O 3.2Å; A228-G230 PolarHBondContact O-N 3Å
231G74.2Confident79.4Confident14 Ų1469.4 Ų69.414%0.14433%0.327CS..SBendtrans-84178.8169.400000114.9A228A228-G231 PolarHBondContact O-N 2.72Å
232Q77.8Confident79.1Confident116 Ų11676.2 Ų76.254%0.54236%0.363SS..  trans-69134.1-179.4-172.6173.1-16.700109.8D181 V182 N234D181-Q232 CarbonylContact C-O 3.57Å; D181-Q232 WeakPolarHBondContact CA-O 3.23Å; D181-Q232 VanDerWaalsContact OD1-CB 3.3Å; D181-Q232 WeakPolarHBondContact OD1-CB 3.39Å; D181-Q232 PolarHBondContact OD1-N 3.03Å; V182-Q232 PolarHBondContact N-O 3.13Å; Q232-N234 PolarHBondContact NE2-OD1 3.42Å; Q232-N234 VanDerWaalsContact NE2-OD1 3.12Å
233V81.9Confident79Confident18 Ų1877.1 Ų77.111%0.10937%0.365CS..EExtended strand (participates in β ladder)trans-113.3117.6174178.90000107.8V182 I220 L224 A228V182-V233 WeakPolarHBondContact O-CA 3.3Å; I220-V233 HydrophobicContact CD1-CB 4.26Å; I220-V233 HydrophobicContact CG2-CB 4.15Å; I220-V233 HydrophobicContact CG2-CG1 4.24Å; I220-V233 HydrophobicContact CG2-CG2 4.14Å; L224-V233 HydrophobicContact CB-CG1 3.93Å; L224-V233 HydrophobicContact CB-CG2 4.43Å; L224-V233 HydrophobicContact CD1-CG1 4.06Å; A228-V233 HydrophobicContact CB-CG2 3.45Å; A228-V233 VanDerWaalsContact CB-CG2 3.45Å
234N83.1Confident78.8Confident71 Ų7178.1 Ų78.138%0.3837%0.373SS..EExtended strand (participates in β ladder)trans-99.5122.6170.6-66.2-19.6000107.9V182 H183 V184 Q232V182-N234 PolarHBondContact O-N 3.04Å; H183-N234 WeakPolarHBondContact CA-O 3.36Å; V184-N234 PolarHBondContact N-O 3.16Å; Q232-N234 PolarHBondContact NE2-OD1 3.42Å; Q232-N234 VanDerWaalsContact NE2-OD1 3.12Å
235L84.1Confident78.4Confident47 Ų4779.6 Ų79.625%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-116.9115-179.8-175.3147.6000109.6V184 L186 I215 L224 M237V184-L235 VanDerWaalsContact O-CA 3.3Å; V184-L235 WeakPolarHBondContact O-CA 3.49Å; L186-L235 HydrophobicContact CB-CD2 4.17Å; L186-L235 HydrophobicContact CB-CG 4.4Å; L186-L235 HydrophobicContact CD2-CD2 4.3Å; I215-L235 HydrophobicContact CD1-CD1 4.34Å; L224-L235 HydrophobicContact CD1-CD1 3.52Å; L235-M237 HydrophobicContact CD2-CE 3.44Å; L235-M237 VanDerWaalsContact CD2-CE 3.44Å; L235-M237 HydrophobicContact CD2-CG 3.53Å; L235-M237 HydrophobicContact CD2-SD 4.32Å
236D84.7Confident78Confident51 Ų5176.2 Ų76.227%0.27338%0.382SS..EExtended strand (participates in β ladder)trans-95.6144.7172.4-69.6-22.8000109.6H183 V184 V185 L186H183-D236 IonicContact CE1-OD2 2.69Å; H183-D236 PolarHBondContact CE1-OD2 3.49Å; H183-D236 IonicContact NE2-OD2 3.03Å; H183-D236 PolarHBondContact NE2-OD2 2.99Å; H183-D236 VanDerWaalsContact NE2-OD2 3.09Å; V184-D236 PolarHBondContact O-N 2.72Å; V185-D236 CarbonylContact C-O 3.03Å; V185-D236 HydrophobicContact CG2-CB 4.38Å; L186-D236 PolarHBondContact N-O 2.98Å
237M83.7Confident77.4Confident49 Ų4975.4 Ų75.424%0.24138%0.376CS..EExtended strand (participates in β ladder)trans-116.7128.4178-58.2-174.4-161.200110.9L123 F124 A127 L186 I215 L235L123-M237 HydrophobicContact CD2-SD 4.45Å; F124-M237 HydrophobicContact CE1-CB 3.94Å; F124-M237 HydrophobicContact CZ-CB 3.89Å; A127-M237 HydrophobicContact CB-CE 3.54Å; A127-M237 HydrophobicContact CB-SD 3.74Å; L186-M237 HydrophobicContact CB-CG 4.5Å; L186-M237 HydrophobicContact CD2-CG 4.23Å; L186-M237 CarbonylContact O-C 3.54Å; L186-M237 WeakPolarHBondContact O-CA 3.43Å; I215-M237 HydrophobicContact CG2-CE 3.24Å; I215-M237 HydrophobicContact CG2-SD 4.22Å; L235-M237 HydrophobicContact CD2-CE 3.44Å; L235-M237 VanDerWaalsContact CD2-CE 3.44Å; L235-M237 HydrophobicContact CD2-CG 3.53Å; L235-M237 HydrophobicContact CD2-SD 4.32Å
238E84.4Confident76.9Confident65 Ų6571 Ų7130%0.30437%0.366SS..EExtended strand (participates in β ladder)trans-116129.1175.6-63.8-177.7164.700110.3V185 L186 K187 L188 H240V185-E238 HydrophobicContact CG1-CG 3.78Å; L186-E238 PolarHBondContact O-N 3.07Å; K187-E238 WeakPolarHBondContact CD-OE2 3.41Å; K187-E238 WeakPolarHBondContact CE-OE2 3.42Å; K187-E238 HydrophobicContact CG-CB 4.27Å; K187-E238 WeakPolarHBondContact CG-OE2 3.45Å; K187-E238 IonicContact NZ-OE2 3.24Å; L188-E238 PolarHBondContact N-O 3.15Å; E238-H240 IonicContact OE2-NE2 2.68Å; E238-H240 PolarHBondContact OE2-NE2 3.18Å
239D84.9Confident76.2Confident45 Ų4580.4 Ų80.424%0.24141%0.407CS..EExtended strand (participates in β ladder)trans-88.1118.3173.9-174.86.1000110.6F124 R137 R241F124-D239 HydrophobicContact CE2-CB 3.99Å; F124-D239 HydrophobicContact CZ-CB 3.85Å; R137-D239 PolarHBondContact NH2-O 3.42Å; D239-R241 WeakPolarHBondContact OD1-CB 3.43Å; D239-R241 VanDerWaalsContact OD1-CG 3.27Å; D239-R241 WeakPolarHBondContact OD1-CG 3.31Å; D239-R241 PolarHBondContact OD1-N 2.73Å; D239-R241 IonicContact OD1-NE 3.16Å; D239-R241 IonicContact OD2-CZ 2.74Å; D239-R241 IonicContact OD2-NE 2.69Å; D239-R241 PolarHBondContact OD2-NE 2.66Å; D239-R241 IonicContact OD2-NH2 3.14Å
240H82.4Confident75.7Confident26 Ų2675.9 Ų75.912%0.1240%0.403CS..EExtended strand (participates in β ladder)trans-129.831.4177.6-72.3-119.7000110.4R137 L188 W189 E238 D242 E243R137-H240 PolarHBondContact NH2-CD2 3.3Å; R137-H240 PolarHBondContact NH2-NE2 3.21Å; L188-H240 CarbonylContact O-C 3.59Å; L188-H240 WeakPolarHBondContact O-CA 3.2Å; L188-H240 VanDerWaalsContact O-CB 3.25Å; L188-H240 WeakPolarHBondContact O-CB 3.4Å; L188-H240 PolarHBondContact O-N 2.87Å; W189-H240 HydrophobicContact CD2-CB 4.06Å; W189-H240 HydrophobicContact CE3-CB 3.55Å; W189-H240 HydrophobicContact CH2-CB 4.46Å; W189-H240 AromaticContact CH2-ND1 3.62Å; W189-H240 HydrophobicContact CZ3-CB 3.78Å; W189-H240 AromaticContact CZ3-CG 3.84Å; W189-H240 AromaticContact CZ3-ND1 3.4Å; W189-H240 WeakPolarHBondContact CZ3-ND1 3.04Å; E238-H240 IonicContact OE2-NE2 2.68Å; E238-H240 PolarHBondContact OE2-NE2 3.18Å; H240-D242 PolarHBondContact O-N 3.3Å; H240-E243 HydrophobicContact CB-CB 4.31Å; H240-E243 IonicContact CE1-OE2 2.95Å; H240-E243 IonicContact CG-OE2 3.63Å; H240-E243 IonicContact ND1-OE2 3.51Å; H240-E243 PolarHBondContact ND1-OE2 3.09Å; H240-E243 PolarHBondContact O-N 2.95Å
241R78.3Confident75.3Confident82 Ų8278 Ų7831%0.30942%0.416SS..THydrogen-bonded Turntrans-57-24.1-176.362.7-179143.8170.12.8115.6N117 E121 L188 K190 D239N117-R241 WeakPolarHBondContact OD1-CD 3.23Å; N117-R241 PolarHBondContact OD1-NH1 3.31Å; E121-R241 IonicContact OE1-NH1 3.81Å; E121-R241 PolarHBondContact OE1-NH1 3.21Å; L188-R241 PolarHBondContact O-N 2.81Å; K190-R241 WeakPolarHBondContact CB-O 3.4Å; D239-R241 WeakPolarHBondContact OD1-CB 3.43Å; D239-R241 VanDerWaalsContact OD1-CG 3.27Å; D239-R241 WeakPolarHBondContact OD1-CG 3.31Å; D239-R241 PolarHBondContact OD1-N 2.73Å; D239-R241 IonicContact OD1-NE 3.16Å; D239-R241 IonicContact OD2-CZ 2.74Å; D239-R241 IonicContact OD2-NE 2.69Å; D239-R241 PolarHBondContact OD2-NE 2.66Å; D239-R241 IonicContact OD2-NH2 3.14Å
242D75.3Confident74.5Confident148 Ų14886.3 Ų86.379%0.79145%0.449SS*.THydrogen-bonded Turntrans-91-8.4177.8-60.6-61.1000113.5H240H240-D242 PolarHBondContact O-N 3.3Å
243E77.6Confident73.5Confident100 Ų10088 Ų8847%0.46745%0.454SS..SBendtrans-104.3138.9-178.8-63.5-175.3171.800111.7W189 H240W189-E243 HydrophobicContact CE3-CB 4.02Å; W189-E243 HydrophobicContact CZ3-CB 3.97Å; H240-E243 HydrophobicContact CB-CB 4.31Å; H240-E243 IonicContact CE1-OE2 2.95Å; H240-E243 IonicContact CG-OE2 3.63Å; H240-E243 IonicContact ND1-OE2 3.51Å; H240-E243 PolarHBondContact ND1-OE2 3.09Å; H240-E243 PolarHBondContact O-N 2.95Å
244D75.4Confident72.3Confident112 Ų11289.8 Ų89.860%0.59947%0.471SS*.  trans-82.5137.6169.4-74.3-64.6000110A246D244-A246 PolarHBondContact O-N 2.94Å; D244-A246 VanDerWaalsContact O-N 3.08Å
245F73.4Confident71Confident35 Ų3596 Ų9615%0.15450%0.495CS..  trans-64.3113.5-178.6176.5-99.2000111.6W189 G198 L200 K247W189-F245 AromaticContact CD1-CD2 3.95Å; W189-F245 HydrophobicContact CD2-CB 4.13Å; W189-F245 HydrophobicContact CD2-CD2 4.08Å; W189-F245 AromaticContact CE2-CD2 3.55Å; W189-F245 HydrophobicContact CG-CB 4.09Å; W189-F245 HydrophobicContact CG-CD2 4.32Å; W189-F245 AromaticContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CD2 3.87Å; W189-F245 HydrophobicContact CZ2-CE2 4.41Å; W189-F245 AromaticContact NE1-CD2 3.47Å; G198-F245 WeakPolarHBondContact O-CZ 3.38Å; L200-F245 HydrophobicContact CB-CB 4.29Å; L200-F245 HydrophobicContact CB-CD1 3.44Å; L200-F245 VanDerWaalsContact CB-CD1 3.44Å; L200-F245 HydrophobicContact CB-CD2 4.06Å; L200-F245 HydrophobicContact CB-CE1 3.56Å; L200-F245 HydrophobicContact CB-CE2 4.19Å; L200-F245 HydrophobicContact CB-CG 3.67Å; L200-F245 HydrophobicContact CB-CZ 3.94Å; L200-F245 HydrophobicContact CD1-CB 3.72Å; L200-F245 HydrophobicContact CD1-CD1 4.41Å; L200-F245 HydrophobicContact CD1-CD2 3.9Å; L200-F245 HydrophobicContact CD1-CG 3.77Å; L200-F245 HydrophobicContact CD2-CB 3.5Å; L200-F245 HydrophobicContact CD2-CD1 3.9Å; L200-F245 HydrophobicContact CD2-CG 3.83Å; L200-F245 HydrophobicContact CG-CB 4.03Å; L200-F245 HydrophobicContact CG-CD1 4.11Å; L200-F245 HydrophobicContact CG-CD2 4.45Å; L200-F245 HydrophobicContact CG-CG 3.95Å; F245-K247 HydrophobicContact CD1-CG 4.44Å; F245-K247 HydrophobicContact CE1-CB 4.36Å; F245-K247 HydrophobicContact CE1-CG 3.46Å; F245-K247 VanDerWaalsContact CE1-CG 3.46Å; F245-K247 HydrophobicContact CZ-CG 3.9Å
246A70.5Confident69.7Low71 Ų71100.5 Ų100.559%0.58752%0.515SS*.  trans-104.6123.716200000108D244 P248D244-A246 PolarHBondContact O-N 2.94Å; D244-A246 VanDerWaalsContact O-N 3.08Å; A246-P248 WeakPolarHBondContact O-CD 3.08Å
247K65.8Low68.6Low123 Ų123100.8 Ų100.854%0.53553%0.53SS..  trans-49.9116.3172.3-70.7-174.8-171.5-162.20107.5E199 F245 K249E199-K247 WeakPolarHBondContact OE1-CE 3.39Å; E199-K247 IonicContact OE1-NZ 2.72Å; E199-K247 PolarHBondContact OE1-NZ 2.82Å; E199-K247 WeakPolarHBondContact OE2-CE 3.41Å; E199-K247 IonicContact OE2-NZ 3.57Å; E199-K247 PolarHBondContact OE2-NZ 2.64Å; F245-K247 HydrophobicContact CD1-CG 4.44Å; F245-K247 HydrophobicContact CE1-CB 4.36Å; F245-K247 HydrophobicContact CE1-CG 3.46Å; F245-K247 VanDerWaalsContact CE1-CG 3.46Å; F245-K247 HydrophobicContact CZ-CG 3.9Å; K247-K249 PolarHBondContact O-N 2.75Å
248P64.2Low67.8Low51 Ų51107.8 Ų107.833%0.33156%0.562SS.*  trans-53.7122.3177.2-23.632.4000106.8A246 V250A246-P248 WeakPolarHBondContact O-CD 3.08Å; P248-V250 VanDerWaalsContact C-N 3.3Å; P248-V250 PolarHBondContact O-N 2.89Å
249K58.1Low66.9Low199 Ų199108.3 Ų108.387%0.86559%0.585SS**  trans-59.6105.9168.5-66.6177.9-177.2174.70103.9K247 A251K247-K249 PolarHBondContact O-N 2.75Å; K249-A251 PolarHBondContact O-N 2.71Å
250V62.3Low66.1Low123 Ų123112.3 Ų112.375%0.74560%0.602SS**  trans-35.8106179.3-100.40000107.4P248 F252P248-V250 VanDerWaalsContact C-N 3.3Å; P248-V250 PolarHBondContact O-N 2.89Å; V250-F252 PolarHBondContact O-N 3.25Å
251A58.7Low65.5Low92 Ų92120.4 Ų120.476%0.7664%0.637SS**  trans-55.9116.6-178.200000104.7K249 K253K249-A251 PolarHBondContact O-N 2.71Å; A251-K253 PolarHBondContact O-N 3.12Å
252F57.4Low64.5Low189 Ų189125.4 Ų125.483%0.82967%0.669SS**  trans-46.3106.7-169.6-172.5-93.9000108.3V250 A254V250-F252 PolarHBondContact O-N 3.25Å; F252-A254 HydrophobicContact CD1-CB 3.93Å; F252-A254 HydrophobicContact CE1-CB 4.14Å; F252-A254 PolarHBondContact O-N 2.91Å
253K58.5Low63.7Low151 Ų151122.1 Ų122.166%0.65767%0.67SS**  trans-77.783.9-179.2-151.9156.8166-145.10105A251 F255 E256A251-K253 PolarHBondContact O-N 3.12Å; K253-F255 PolarHBondContact O-N 3.37Å; K253-E256 HydrophobicContact CB-CG 4.06Å; K253-E256 HydrophobicContact CD-CG 4.34Å; K253-E256 WeakPolarHBondContact CD-OE1 3.41Å; K253-E256 WeakPolarHBondContact CE-OE1 3.47Å; K253-E256 HydrophobicContact CG-CG 3.95Å; K253-E256 IonicContact NZ-OE1 3.49Å; K253-E256 PolarHBondContact NZ-OE1 3.04Å; K253-E256 PolarHBondContact O-N 3.49Å
254A54.8Low62.6Low55 Ų55121.6 Ų121.646%0.45568%0.677SS.*THydrogen-bonded Turntrans-58.4131.5-173.400000108.4F252F252-A254 HydrophobicContact CD1-CB 3.93Å; F252-A254 HydrophobicContact CE1-CB 4.14Å; F252-A254 PolarHBondContact O-N 2.91Å
255F57.3Low61.3Low201 Ų201121.6 Ų121.688%0.88269%0.693SS**THydrogen-bonded Turntrans71.930.5177.1-42.8-80000116.4K253 G257K253-F255 PolarHBondContact O-N 3.37Å; F255-G257 PolarHBondContact O-N 2.92Å
256E55.9Low60.5Low142 Ų142124.8 Ų124.866%0.66472%0.715SS**  trans-7480.4156.1-68.2-164156.600109.8K253K253-E256 HydrophobicContact CB-CG 4.06Å; K253-E256 HydrophobicContact CD-CG 4.34Å; K253-E256 WeakPolarHBondContact CD-OE1 3.41Å; K253-E256 WeakPolarHBondContact CE-OE1 3.47Å; K253-E256 HydrophobicContact CG-CG 3.95Å; K253-E256 IonicContact NZ-OE1 3.49Å; K253-E256 PolarHBondContact NZ-OE1 3.04Å; K253-E256 PolarHBondContact O-N 3.49Å
257G61.7Low59.7Low58 Ų58127.2 Ų127.260%0.59873%0.725SS**SBendtrans-175.8131.3176.800000109F255 G259F255-G257 PolarHBondContact O-N 2.92Å; G257-G259 PolarHBondContact O-N 3.06Å
258E67.8Low59.1Low195 Ų195127.8 Ų127.891%0.91173%0.73SS**  trans-63.1120.6172.3-151.1176.8162.200108Q260E258-Q260 PolarHBondContact O-N 2.76Å; E258-Q260 VanDerWaalsContact O-N 3.1Å
259G64.9Low58.5Low76 Ų76129.9 Ų129.978%0.78474%0.738SS**  trans-65.1111.9-175.400000111.4G257G257-G259 PolarHBondContact O-N 3.06Å
260Q67Low57.9Low130 Ų130128 Ų12861%0.60774%0.735SS**  trans-84.7125.4171.7-77.4-134.6-0.700111.4E258 L262 E268E258-Q260 PolarHBondContact O-N 2.76Å; E258-Q260 VanDerWaalsContact O-N 3.1Å; Q260-L262 PolarHBondContact O-N 3.22Å; Q260-E268 VanDerWaalsContact CD-CD 3.47Å; Q260-E268 PolarHBondContact NE2-OE1 3.01Å; Q260-E268 PolarHBondContact OE1-OE1 3.29Å; Q260-E268 VanDerWaalsContact OE1-OE1 3.05Å; Q260-E268 PolarHBondContact OE1-OE2 2.76Å
261K69.8Low56.7Low196 Ų196127.2 Ų127.285%0.85274%0.735SS**  trans-73.7111.6175.6-68.5-173.7-175-1770109.9G263K261-G263 PolarHBondContact O-N 3.16Å
262L58.8Low56.3Low187 Ų187126.3 Ų126.398%0.97973%0.728SS**THydrogen-bonded Turntrans-69.393.2169.7-73.1163.8000109.7Q260Q260-L262 PolarHBondContact O-N 3.22Å
263G57.6Low55.7Low78 Ų78122.5 Ų122.580%0.80472%0.722SS**THydrogen-bonded Turntrans-170.4-9.6179.500000116.4K261K261-G263 PolarHBondContact O-N 3.16Å
264S55.3Low55Low89 Ų89120.8 Ų120.862%0.62273%0.726SS**  trans-101115.6169.648.10000110.2T266S264-T266 PolarHBondContact O-N 3.44Å
265A48.6Very low54.9Low112 Ų112121 Ų12193%0.92672%0.722SS**  trans-71.757.4176.500000112.6
266T54.8Low55Low103 Ų103114.7 Ų114.763%0.63270%0.703SS**SBendtrans-133.1118.116947.70000107.9S264 E268S264-T266 PolarHBondContact O-N 3.44Å; T266-E268 PolarHBondContact O-N 3.1Å
267P54.5Low55.2Low122 Ų122116.1 Ų116.179%0.79271%0.71SS**  trans-61.7131.7-175.423.6-31.9000111.2
268E53Low55.2Low134 Ų134121.1 Ų121.163%0.62672%0.717SS**  trans-60.5140.2175.9-84.4-160.199.900112.4Q260 T266 I270Q260-E268 VanDerWaalsContact CD-CD 3.47Å; Q260-E268 PolarHBondContact NE2-OE1 3.01Å; Q260-E268 PolarHBondContact OE1-OE1 3.29Å; Q260-E268 VanDerWaalsContact OE1-OE1 3.05Å; Q260-E268 PolarHBondContact OE1-OE2 2.76Å; T266-E268 PolarHBondContact O-N 3.1Å; E268-I270 PolarHBondContact O-N 2.86Å
269L51.9Low55.3Low96 Ų96115.3 Ų115.350%0.50369%0.693SS.*  trans-64.2108.1168.5-73.395.5000109.8S271 M336L269-S271 PolarHBondContact O-N 2.9Å; L269-M336 HydrophobicContact CD2-CE 4.47Å
270I44.6Very low55.7Low159 Ų159114.7 Ų114.782%0.81567%0.669SS**  trans-60.1105.7150.819.9169.1000107.4E268 A272E268-I270 PolarHBondContact O-N 2.86Å; I270-A272 PolarHBondContact O-N 3.41Å
271S38.1Very low56.2Low106 Ų106111 Ų11174%0.74166%0.661SS**  trans-49.2104.6177.2-168.90000111L269L269-S271 PolarHBondContact O-N 2.9Å
272A50.8Low56.7Low73 Ų73104 Ų10460%0.60364%0.64SS**  trans-66151.9149.100000107.4I270I270-A272 PolarHBondContact O-N 3.41Å
273P44.4Very low57.8Low110 Ų11097 Ų9771%0.71460%0.604SS**  trans-49.5141-163.720.5-33.7000111.8T275P273-T275 PolarHBondContact O-N 3.42Å
274P43.9Very low59.1Low114 Ų11496 Ų9674%0.7458%0.578SS**  trans-60.2103.3-178.426.3-33.8000108.4S276P274-S276 PolarHBondContact O-N 3.17Å
275T51.7Low60.4Low61 Ų6194.8 Ų94.837%0.37457%0.573SS.*  trans-61.4123.5165.2-21.40000105.6P273 Q277 D279 Q280P273-T275 PolarHBondContact O-N 3.42Å; T275-Q277 PolarHBondContact O-N 2.83Å; T275-D279 HydrophobicContact CG2-CB 3.66Å; T275-Q280 PolarHBondContact O-NE2 2.9Å; T275-Q280 VanDerWaalsContact O-NE2 3.1Å
276S59.6Low62Low67 Ų6795.5 Ų95.547%0.46956%0.557SS.*  trans-53.2143.2-173.9-490000108.9P274 Q278 D279 Q280P274-S276 PolarHBondContact O-N 3.17Å; S276-Q278 PolarHBondContact O-N 2.87Å; S276-D279 VanDerWaalsContact CB-OD2 3.32Å; S276-D279 WeakPolarHBondContact CB-OD2 3.35Å; S276-D279 PolarHBondContact N-OD2 3.13Å; S276-D279 WeakPolarHBondContact O-CB 3.4Å; S276-D279 PolarHBondContact O-N 3.31Å; S276-D279 PolarHBondContact OG-OD2 2.94Å; S276-Q280 PolarHBondContact O-N 3.48Å
277Q61.2Low63.5Low173 Ų17390.6 Ų90.681%0.80853%0.527SS*.Hα-helixtrans-51.9-26.1175.6-70-179.5-1600112.1T275 Q280 A281T275-Q277 PolarHBondContact O-N 2.83Å; Q277-Q280 PolarHBondContact O-N 3.12Å; Q277-A281 PolarHBondContact O-N 3.18Å; Q277-A281 VanDerWaalsContact O-N 3.17Å
278Q60.5Low64.8Low163 Ų16386.7 Ų86.776%0.76250%0.503SS*.Hα-helixtrans-68.4-37.2174.1-163.1160.4-2.700113.8S276 A282S276-Q278 PolarHBondContact O-N 2.87Å; Q278-A282 WeakPolarHBondContact O-CB 3.28Å; Q278-A282 PolarHBondContact O-N 2.97Å; Q278-A282 VanDerWaalsContact O-N 3.14Å
279D69.7Low66.1Low73 Ų7384.8 Ų84.839%0.3951%0.505SS..Hα-helixtrans-71.9-33.8175.2-59.6-43.4000111T275 S276 A282 N283T275-D279 HydrophobicContact CG2-CB 3.66Å; S276-D279 VanDerWaalsContact CB-OD2 3.32Å; S276-D279 WeakPolarHBondContact CB-OD2 3.35Å; S276-D279 PolarHBondContact N-OD2 3.13Å; S276-D279 WeakPolarHBondContact O-CB 3.4Å; S276-D279 PolarHBondContact O-N 3.31Å; S276-D279 PolarHBondContact OG-OD2 2.94Å; D279-A282 PolarHBondContact O-N 3.41Å; D279-N283 WeakPolarHBondContact O-CB 3.3Å; D279-N283 PolarHBondContact O-N 3.1Å; D279-N283 PolarHBondContact O-ND2 2.89Å
280Q73.1Confident67.5Low62 Ų6283.5 Ų83.529%0.2950%0.503SS..Hα-helixtrans-64.7-45.6176-67.1-179.341.400111.8T275 S276 Q277 N283 E284 R333T275-Q280 PolarHBondContact O-NE2 2.9Å; T275-Q280 VanDerWaalsContact O-NE2 3.1Å; S276-Q280 PolarHBondContact O-N 3.48Å; Q277-Q280 PolarHBondContact O-N 3.12Å; Q280-N283 PolarHBondContact O-N 3.44Å; Q280-E284 VanDerWaalsContact O-CG 3.27Å; Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.36Å; Q280-R333 PolarHBondContact O-NH1 2.94Å
281A78.1Confident69.4Low53 Ų5376.6 Ų76.644%0.43847%0.468SS..Hα-helixtrans-66.9-36.4176.800000112.4Q277 E284 A285Q277-A281 PolarHBondContact O-N 3.18Å; Q277-A281 VanDerWaalsContact O-N 3.17Å; A281-E284 PolarHBondContact O-N 3.35Å; A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.9Å
282A81.1Confident71.4Confident50 Ų5076.3 Ų76.341%0.41347%0.466SS..Hα-helixtrans-64.8-44.9175.100000111.6Q278 D279 E284 A285 Q286Q278-A282 WeakPolarHBondContact O-CB 3.28Å; Q278-A282 PolarHBondContact O-N 2.97Å; Q278-A282 VanDerWaalsContact O-N 3.14Å; D279-A282 PolarHBondContact O-N 3.41Å; A282-E284 VanDerWaalsContact C-N 3.35Å; A282-E284 PolarHBondContact O-N 3.18Å; A282-A285 PolarHBondContact O-N 3.47Å; A282-Q286 WeakPolarHBondContact O-CG 3.1Å; A282-Q286 PolarHBondContact O-N 3Å
283N81.8Confident73Confident40 Ų4076.3 Ų76.321%0.21446%0.455CS..Hα-helixtrans-64.5-38.8176.7-70.2-18.7000112D279 Q280 Q286 A287D279-N283 WeakPolarHBondContact O-CB 3.3Å; D279-N283 PolarHBondContact O-N 3.1Å; D279-N283 PolarHBondContact O-ND2 2.89Å; Q280-N283 PolarHBondContact O-N 3.44Å; N283-Q286 PolarHBondContact O-N 2.69Å; N283-A287 VanDerWaalsContact O-CB 3.3Å; N283-A287 WeakPolarHBondContact O-CB 3.36Å; N283-A287 PolarHBondContact O-N 2.94Å
284E83.8Confident74.9Confident57 Ų5773.8 Ų73.827%0.26644%0.436SS..Hα-helixtrans-61.2-47.4173.3-75.7168.1-17000111.9Q280 A281 A282 Q286 A287 S288 L312 A332 R333Q280-E284 VanDerWaalsContact O-CG 3.27Å; Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.36Å; A281-E284 PolarHBondContact O-N 3.35Å; A282-E284 VanDerWaalsContact C-N 3.35Å; A282-E284 PolarHBondContact O-N 3.18Å; E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.22Å; E284-A287 PolarHBondContact O-N 3.19Å; E284-S288 WeakPolarHBondContact O-CB 3.25Å; E284-S288 PolarHBondContact O-N 2.97Å; E284-S288 PolarHBondContact O-OG 2.83Å; E284-S288 VanDerWaalsContact O-OG 3.06Å; E284-L312 HydrophobicContact CG-CD2 3.76Å; E284-L312 VanDerWaalsContact OE1-CD2 3.29Å; E284-L312 WeakPolarHBondContact OE1-CD2 3.46Å; E284-A332 HydrophobicContact CG-CB 4.26Å; E284-R333 IonicContact OE1-CZ 3.12Å; E284-R333 VanDerWaalsContact OE1-CZ 3.24Å; E284-R333 IonicContact OE1-NH1 3.64Å; E284-R333 PolarHBondContact OE1-NH1 3.29Å; E284-R333 IonicContact OE1-NH2 3.09Å; E284-R333 PolarHBondContact OE1-NH2 3.38Å
285A82.3Confident76.7Confident63 Ų6374.4 Ų74.452%0.52144%0.44SS..Hα-helixtrans-62.1-40178.200000112.1A281 A282 S288 S289A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.9Å; A282-A285 PolarHBondContact O-N 3.47Å; A285-S288 PolarHBondContact O-N 3.26Å; A285-S289 PolarHBondContact O-N 3.3Å
286Q83.6Confident78.3Confident126 Ų12676.2 Ų76.259%0.58946%0.455SS*.Hα-helixtrans-64.4-46174.2-73.9-174.7-34.500111.7A282 N283 E284 S288 S289 S290A282-Q286 WeakPolarHBondContact O-CG 3.1Å; A282-Q286 PolarHBondContact O-N 3Å; N283-Q286 PolarHBondContact O-N 2.69Å; E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.22Å; Q286-S288 VanDerWaalsContact C-N 3.35Å; Q286-S288 PolarHBondContact O-N 3.06Å; Q286-S289 PolarHBondContact O-N 3.34Å; Q286-S289 PolarHBondContact O-OG 3.46Å; Q286-S290 PolarHBondContact O-N 3.45Å
287A85.6Confident79.5Confident0 Ų076.2 Ų76.20%045%0.447CS..Hα-helixtrans-61.1-43176.500000111.5N283 E284 S289 S290 F328 L331 A332N283-A287 VanDerWaalsContact O-CB 3.3Å; N283-A287 WeakPolarHBondContact O-CB 3.36Å; N283-A287 PolarHBondContact O-N 2.94Å; E284-A287 PolarHBondContact O-N 3.19Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 3.4Å; A287-S290 PolarHBondContact O-N 3.23Å; A287-S290 PolarHBondContact O-OG 3.25Å; A287-F328 HydrophobicContact CB-CD2 3.57Å; A287-F328 HydrophobicContact CB-CE2 3.62Å; A287-L331 HydrophobicContact CB-CB 3.7Å; A287-A332 HydrophobicContact CB-CB 3.87Å
288S82.6Confident80.8Confident40 Ų4071.7 Ų71.728%0.2843%0.433SS..Hα-helixtrans-61.8-37.1176.3-64.70000112.4E284 A285 Q286 S290 I291 Q314E284-S288 WeakPolarHBondContact O-CB 3.25Å; E284-S288 PolarHBondContact O-N 2.97Å; E284-S288 PolarHBondContact O-OG 2.83Å; E284-S288 VanDerWaalsContact O-OG 3.06Å; A285-S288 PolarHBondContact O-N 3.26Å; Q286-S288 VanDerWaalsContact C-N 3.35Å; Q286-S288 PolarHBondContact O-N 3.06Å; S288-S290 VanDerWaalsContact C-N 3.35Å; S288-I291 PolarHBondContact O-N 3.37Å; S288-Q314 VanDerWaalsContact CB-OE1 3.24Å; S288-Q314 PolarHBondContact OG-OE1 2.9Å
289S80.5Confident82.2Confident95 Ų9565.9 Ų65.966%0.66441%0.409SS*.Hα-helixtrans-73.7-24.3177.973.90000114A285 Q286 A287 I291A285-S289 PolarHBondContact O-N 3.3Å; Q286-S289 PolarHBondContact O-N 3.34Å; Q286-S289 PolarHBondContact O-OG 3.46Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 3.4Å; S289-I291 PolarHBondContact O-N 2.88Å
290S81.1Confident83.2Confident68 Ų6862.4 Ų62.448%0.47639%0.39SS..Hα-helixtrans-70.2-18.2176.473.80000112.7Q286 A287 S288 L331Q286-S290 PolarHBondContact O-N 3.45Å; A287-S290 PolarHBondContact O-N 3.23Å; A287-S290 PolarHBondContact O-OG 3.25Å; S288-S290 VanDerWaalsContact C-N 3.35Å; S290-L331 WeakPolarHBondContact OG-CD1 3.19Å
291I83.8Confident84.1Confident15 Ų1563.2 Ų63.28%0.07740%0.397CS..SBendtrans-86.8114.1178.7-61.1155.8000108.9S288 S289 L293 Q314 F316 F328S288-I291 PolarHBondContact O-N 3.37Å; S289-I291 PolarHBondContact O-N 2.88Å; I291-L293 HydrophobicContact CG2-CD2 3.98Å; I291-L293 HydrophobicContact CG2-CG 4.39Å; I291-L293 PolarHBondContact O-N 2.91Å; I291-L293 VanDerWaalsContact O-N 3.14Å; I291-Q314 HydrophobicContact CD1-CG 3.42Å; I291-Q314 VanDerWaalsContact CD1-CG 3.42Å; I291-F316 HydrophobicContact CB-CE1 4.47Å; I291-F316 HydrophobicContact CD1-CD1 4.23Å; I291-F316 HydrophobicContact CD1-CE1 3.33Å; I291-F316 HydrophobicContact CD1-CZ 3.5Å; I291-F316 VanDerWaalsContact CD1-CZ 3.5Å; I291-F316 HydrophobicContact CG1-CE1 3.78Å; I291-F316 HydrophobicContact CG1-CZ 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.75Å; I291-F316 HydrophobicContact CG2-CE1 3.88Å; I291-F328 HydrophobicContact CD1-CB 4.1Å; I291-F328 HydrophobicContact CD1-CD2 3.33Å; I291-F328 HydrophobicContact CD1-CE2 3.97Å; I291-F328 HydrophobicContact CD1-CG 3.87Å; I291-F328 HydrophobicContact CG1-CD2 4.38Å
292S81.3Confident84.7Confident99 Ų9960.7 Ų60.769%0.69238%0.376SS*.  trans-74.6102.2177.8-170.10000110.8H320S292-H320 PolarHBondContact O-CE1 2.95Å; S292-H320 PolarHBondContact O-NE2 3.34Å
293L84.5Confident85.2Confident74 Ų7461 Ų6139%0.38737%0.369SS..  trans-91.2113175.8-63.1178.2000110.7I291 R315I291-L293 HydrophobicContact CG2-CD2 3.98Å; I291-L293 HydrophobicContact CG2-CG 4.39Å; I291-L293 PolarHBondContact O-N 2.91Å; I291-L293 VanDerWaalsContact O-N 3.14Å; L293-R315 HydrophobicContact CD1-CB 4.41Å; L293-R315 WeakPolarHBondContact CD2-O 3.11Å
294D84.1Confident85.7Confident56 Ų5659.2 Ų59.230%0.29936%0.359SS..  trans-89.1113.5168.9176.91.5000109.8S296 Q297 N317D294-S296 PolarHBondContact O-N 3.44Å; D294-S296 VanDerWaalsContact OD1-CB 3.32Å; D294-S296 WeakPolarHBondContact OD1-CB 3.48Å; D294-S296 PolarHBondContact OD1-N 2.96Å; D294-S296 PolarHBondContact OD1-OG 2.95Å; D294-S296 PolarHBondContact OD2-OG 2.67Å; D294-Q297 PolarHBondContact O-N 2.9Å; D294-Q297 PolarHBondContact OD2-NE2 2.95Å; D294-N317 WeakPolarHBondContact CB-ND2 3.27Å; D294-N317 PolarHBondContact N-ND2 3.02Å; D294-N317 PolarHBondContact O-ND2 2.81Å; D294-N317 VanDerWaalsContact O-ND2 3.07Å
295P80.1Confident86Confident128 Ų12862.8 Ų62.883%0.83137%0.37SS*.THydrogen-bonded Turntrans-70-10-177.430.6-36.3000113.7Q297P295-Q297 VanDerWaalsContact C-N 3.35Å
296S85.6Confident86.3Confident98 Ų9860.3 Ų60.369%0.68535%0.348SS*.THydrogen-bonded Turntrans-81.9-14.1176.974.20000113.5D294D294-S296 PolarHBondContact O-N 3.44Å; D294-S296 VanDerWaalsContact OD1-CB 3.32Å; D294-S296 WeakPolarHBondContact OD1-CB 3.48Å; D294-S296 PolarHBondContact OD1-N 2.96Å; D294-S296 PolarHBondContact OD1-OG 2.95Å; D294-S296 PolarHBondContact OD2-OG 2.67Å
297Q86.1Confident86.2Confident67 Ų6756.2 Ų56.231%0.31334%0.336SS..SBendtrans-102.8154.3-179.1-69.5179.741.200111.8D294 P295 T299 T319D294-Q297 PolarHBondContact O-N 2.9Å; D294-Q297 PolarHBondContact OD2-NE2 2.95Å; P295-Q297 VanDerWaalsContact C-N 3.35Å; Q297-T299 PolarHBondContact O-N 3.48Å; Q297-T319 PolarHBondContact OE1-OG1 2.98Å
298P87.8Confident85.8Confident79 Ų7959.1 Ų59.151%0.51335%0.351SS..PPolyproline II helixtrans-64.3127.4175.528-34.9000110.6N317 H318P298-N317 WeakPolarHBondContact O-CA 3.08Å; P298-H318 HydrophobicContact CG-CB 4.22Å; P298-H318 PolarHBondContact O-CD2 3.12Å; P298-H318 PolarHBondContact O-N 3.32Å
299T90.7Very high85.7Confident40 Ų4060.8 Ų60.825%0.24538%0.375CS..EExtended strand (participates in β ladder)trans-101.4146.8178.251.10000111.7Q297 R315 F316 N317Q297-T299 PolarHBondContact O-N 3.48Å; T299-R315 HydrophobicContact CG2-CG 4.28Å; T299-R315 VanDerWaalsContact OG1-CZ 3.29Å; T299-R315 PolarHBondContact OG1-NE 3.45Å; T299-R315 VanDerWaalsContact OG1-NE 3.13Å; T299-R315 PolarHBondContact OG1-NH2 3.26Å; T299-F316 CarbonylContact C-O 3.43Å; T299-F316 VanDerWaalsContact CA-O 3.23Å; T299-F316 WeakPolarHBondContact CA-O 3.19Å; T299-N317 WeakPolarHBondContact CG2-OD1 3.47Å
300T90Very high85.9Confident0 Ų057.5 Ų57.50%036%0.356CS..EExtended strand (participates in β ladder)trans-125.9152175.9-166.20000110.9I302 R315 F316 L359 L365 N366T300-I302 HydrophobicContact CG2-CD1 4.3Å; T300-I302 HydrophobicContact CG2-CG1 4.23Å; T300-R315 WeakPolarHBondContact O-CA 3.49Å; T300-F316 HydrophobicContact CG2-CB 4.23Å; T300-F316 PolarHBondContact N-O 3.5Å; T300-F316 PolarHBondContact O-N 3.11Å; T300-F316 VanDerWaalsContact O-O 3.12Å; T300-L359 HydrophobicContact CG2-CD1 4.06Å; T300-L365 HydrophobicContact CG2-CD2 4.34Å; T300-L365 WeakPolarHBondContact OG1-CA 3.21Å; T300-N366 PolarHBondContact OG1-N 3.44Å; T300-N366 PolarHBondContact OG1-OD1 3.15Å
301N91.5Very high86.3Confident79 Ų7961.5 Ų61.542%0.42237%0.365SS..EExtended strand (participates in β ladder)trans-108.2117.3176.7-68.2-46.7000110.1R315 N366N301-R315 WeakPolarHBondContact OD1-CB 3.36Å; N301-R315 WeakPolarHBondContact OD1-CG 3.12Å; N301-N366 PolarHBondContact N-OD1 2.71Å; N301-N366 VanDerWaalsContact O-CA 3.26Å; N301-N366 WeakPolarHBondContact O-CA 3.25Å
302I91.3Very high86.6Confident0 Ų061 Ų610%036%0.362CS..EExtended strand (participates in β ladder)trans-105.5130.2-179.7-64.4-179.9000109.2T300 I304 Q314 F316 L325 L359 L364 I369T300-I302 HydrophobicContact CG2-CD1 4.3Å; T300-I302 HydrophobicContact CG2-CG1 4.23Å; I302-I304 HydrophobicContact CG2-CG1 4.04Å; I302-Q314 PolarHBondContact N-O 3.18Å; I302-Q314 PolarHBondContact O-N 3.09Å; I302-F316 HydrophobicContact CB-CD2 4.19Å; I302-F316 HydrophobicContact CB-CE2 4.41Å; I302-F316 HydrophobicContact CD1-CD2 4.21Å; I302-F316 HydrophobicContact CG1-CD2 4.35Å; I302-L325 HydrophobicContact CB-CD2 4.41Å; I302-L325 HydrophobicContact CD1-CD1 4.08Å; I302-L325 HydrophobicContact CD1-CD2 4.04Å; I302-L325 HydrophobicContact CG2-CD2 4.07Å; I302-L359 HydrophobicContact CD1-CD1 3.61Å; I302-L359 HydrophobicContact CD1-CD2 3.65Å; I302-L359 HydrophobicContact CD1-CG 4.17Å; I302-L364 HydrophobicContact CD1-CB 4.44Å; I302-I369 HydrophobicContact CG2-CD1 3.57Å; I302-I369 HydrophobicContact CG2-CG1 3.97Å
303Q91.9Very high87Confident58 Ų5860.7 Ų60.727%0.27136%0.356SS..EExtended strand (participates in β ladder)trans-101.5119.8172.4179.1176.4-1800109.3L312 V313 A367 V368 I369Q303-L312 CarbonylContact C-O 3.58Å; Q303-L312 WeakPolarHBondContact CA-O 3.27Å; Q303-V313 HydrophobicContact CB-CG2 4.34Å; Q303-V313 HydrophobicContact CG-CG2 4.09Å; Q303-A367 PolarHBondContact N-O 3.2Å; Q303-V368 HydrophobicContact CB-CG2 4.35Å; Q303-V368 CarbonylContact O-C 3.57Å; Q303-V368 WeakPolarHBondContact O-CA 3.45Å; Q303-I369 PolarHBondContact O-N 3.19Å
304I91.1Very high87.2Confident1 Ų157.9 Ų57.91%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-105118.5178.3-50.9170.9000107.9I302 L306 K311 L312 L325 F328 V329 I369I302-I304 HydrophobicContact CG2-CG1 4.04Å; I304-L306 HydrophobicContact CG2-CD2 4.21Å; I304-K311 CarbonylContact O-C 3.55Å; I304-K311 WeakPolarHBondContact O-CA 3.39Å; I304-L312 HydrophobicContact CB-CB 4.32Å; I304-L312 PolarHBondContact N-O 2.84Å; I304-L312 PolarHBondContact O-N 2.98Å; I304-L325 HydrophobicContact CD1-CD2 4.02Å; I304-F328 HydrophobicContact CD1-CD1 3.85Å; I304-F328 HydrophobicContact CD1-CE1 4.11Å; I304-V329 HydrophobicContact CD1-CG2 3.77Å; I304-V329 HydrophobicContact CG2-CG2 4.03Å; I304-I369 CarbonylContact C-O 3.6Å; I304-I369 WeakPolarHBondContact CA-O 3.49Å
305R90.6Very high87.6Confident133 Ų13361.3 Ų61.350%0.50235%0.349SS..EExtended strand (participates in β ladder)trans-89.5114.6169.6-68.3-179.6177.2-106.43.7107.7V368 I369 V370 Q371R305-V368 HydrophobicContact CG-CG1 4.19Å; R305-I369 PolarHBondContact N-O 3.31Å; R305-V370 HydrophobicContact CB-CG2 4.16Å; R305-Q371 WeakPolarHBondContact O-CB 3.45Å; R305-Q371 PolarHBondContact O-N 3.4Å
306L88.4Confident88Confident10 Ų1055.2 Ų55.25%0.05231%0.31CS..  trans-82.1159-179.5-65.7175.6000110.7I304 D308 G309 G310 L312 V329 R333I304-L306 HydrophobicContact CG2-CD2 4.21Å; L306-D308 WeakPolarHBondContact CB-OD1 3.38Å; L306-D308 PolarHBondContact O-N 2.78Å; L306-G309 PolarHBondContact O-N 3.45Å; L306-G310 PolarHBondContact N-O 2.6Å; L306-L312 HydrophobicContact CD1-CD1 3.79Å; L306-L312 HydrophobicContact CD1-CD2 4.38Å; L306-L312 HydrophobicContact CD1-CG 3.73Å; L306-L312 HydrophobicContact CD2-CD1 4.02Å; L306-L312 HydrophobicContact CG-CD1 4.16Å; L306-L312 HydrophobicContact CG-CG 4.14Å; L306-V329 HydrophobicContact CD2-CG1 3.81Å; L306-V329 HydrophobicContact CD2-CG2 4.42Å; L306-R333 HydrophobicContact CD1-CG 3.93Å
307A82.3Confident88.3Confident40 Ų4050.7 Ų50.733%0.33128%0.278SS..THydrogen-bonded Turntrans-72.9-14.917700000113.6G309 L373A307-G309 PolarHBondContact O-N 3.4Å; A307-L373 HydrophobicContact CB-CD1 3.57Å; A307-L373 HydrophobicContact CB-CD2 4.43Å; A307-L373 HydrophobicContact CB-CG 3.61Å
308D77.5Confident88.5Confident61 Ų6149.1 Ų49.133%0.32627%0.271SS..THydrogen-bonded Turntrans-77.31.3172.362.63.2000113.1L306 G310 R333 M336L306-D308 WeakPolarHBondContact CB-OD1 3.38Å; L306-D308 PolarHBondContact O-N 2.78Å; D308-G310 PolarHBondContact O-N 3.38Å; D308-G310 WeakPolarHBondContact OD1-CA 3.25Å; D308-G310 PolarHBondContact OD1-N 2.99Å; D308-R333 IonicContact OD2-NE 2.94Å; D308-M336 HydrophobicContact CB-CE 3.74Å
309G79.6Confident88.5Confident75 Ų7549.3 Ų49.377%0.77327%0.27SS*.SBendtrans84-4.5-174.300000113.7L306 A307L306-G309 PolarHBondContact O-N 3.45Å; A307-G309 PolarHBondContact O-N 3.4Å
310G84.9Confident88.4Confident26 Ų2648.5 Ų48.527%0.26826%0.264SS..  trans-73.3161175.200000113.3L306 D308L306-G310 PolarHBondContact N-O 2.6Å; D308-G310 PolarHBondContact O-N 3.38Å; D308-G310 WeakPolarHBondContact OD1-CA 3.25Å; D308-G310 PolarHBondContact OD1-N 2.99Å
311K89.8Confident88.5Confident152 Ų15254.5 Ų54.566%0.66129%0.287SS*.EExtended strand (participates in β ladder)trans-123132.5171.568.9-172.8-178.8-171.50109.1I304I304-K311 CarbonylContact O-C 3.55Å; I304-K311 WeakPolarHBondContact O-CA 3.39Å
312L89Confident88.4Confident6 Ų651 Ų513%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-112.1136.4169-61.4178.3000108.6E284 Q303 I304 L306 F328 A332E284-L312 HydrophobicContact CG-CD2 3.76Å; E284-L312 VanDerWaalsContact OE1-CD2 3.29Å; E284-L312 WeakPolarHBondContact OE1-CD2 3.46Å; Q303-L312 CarbonylContact C-O 3.58Å; Q303-L312 WeakPolarHBondContact CA-O 3.27Å; I304-L312 HydrophobicContact CB-CB 4.32Å; I304-L312 PolarHBondContact N-O 2.84Å; I304-L312 PolarHBondContact O-N 2.98Å; L306-L312 HydrophobicContact CD1-CD1 3.79Å; L306-L312 HydrophobicContact CD1-CD2 4.38Å; L306-L312 HydrophobicContact CD1-CG 3.73Å; L306-L312 HydrophobicContact CD2-CD1 4.02Å; L306-L312 HydrophobicContact CG-CD1 4.16Å; L306-L312 HydrophobicContact CG-CG 4.14Å; L312-F328 HydrophobicContact CB-CE1 4.06Å; L312-F328 HydrophobicContact CD1-CE1 3.96Å; L312-A332 HydrophobicContact CD1-CB 3.78Å
313V90.8Very high88.3Confident91 Ų9152.4 Ų52.455%0.55228%0.277SS*.EExtended strand (participates in β ladder)trans-124.9124.5175.3-179.20000107.2Q303Q303-V313 HydrophobicContact CB-CG2 4.34Å; Q303-V313 HydrophobicContact CG-CG2 4.09Å
314Q89Confident88.2Confident16 Ų1651.6 Ų51.68%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-141.9142.4-176.3178.26130.500110.8S288 I291 I302 F316 F328S288-Q314 VanDerWaalsContact CB-OE1 3.24Å; S288-Q314 PolarHBondContact OG-OE1 2.9Å; I291-Q314 HydrophobicContact CD1-CG 3.42Å; I291-Q314 VanDerWaalsContact CD1-CG 3.42Å; I302-Q314 PolarHBondContact N-O 3.18Å; I302-Q314 PolarHBondContact O-N 3.09Å; Q314-F316 HydrophobicContact CB-CD2 4.29Å; Q314-F316 HydrophobicContact CB-CE2 3.54Å; Q314-F316 HydrophobicContact CB-CZ 4.06Å; Q314-F316 HydrophobicContact CG-CD2 3.99Å; Q314-F316 HydrophobicContact CG-CE1 4.24Å; Q314-F316 HydrophobicContact CG-CE2 3.32Å; Q314-F316 HydrophobicContact CG-CZ 3.45Å; Q314-F316 VanDerWaalsContact CG-CZ 3.45Å; Q314-F316 WeakPolarHBondContact O-CD2 3.35Å; Q314-F328 HydrophobicContact CB-CD1 4.41Å; Q314-F328 HydrophobicContact CB-CE1 3.75Å; Q314-F328 HydrophobicContact CB-CE2 4.12Å; Q314-F328 HydrophobicContact CB-CZ 3.59Å; Q314-F328 HydrophobicContact CG-CD2 4.19Å; Q314-F328 HydrophobicContact CG-CE1 4.21Å; Q314-F328 HydrophobicContact CG-CE2 3.81Å; Q314-F328 HydrophobicContact CG-CZ 3.83Å
315R91.4Very high88Confident127 Ų12751.6 Ų51.648%0.47928%0.275SS..EExtended strand (participates in β ladder)trans-88.2138.4175.1-169171-179153.9-3.1109.5L293 T299 T300 N301L293-R315 HydrophobicContact CD1-CB 4.41Å; L293-R315 WeakPolarHBondContact CD2-O 3.11Å; T299-R315 HydrophobicContact CG2-CG 4.28Å; T299-R315 VanDerWaalsContact OG1-CZ 3.29Å; T299-R315 PolarHBondContact OG1-NE 3.45Å; T299-R315 VanDerWaalsContact OG1-NE 3.13Å; T299-R315 PolarHBondContact OG1-NH2 3.26Å; T300-R315 WeakPolarHBondContact O-CA 3.49Å; N301-R315 WeakPolarHBondContact OD1-CB 3.36Å; N301-R315 WeakPolarHBondContact OD1-CG 3.12Å
316F89.8Confident87.9Confident0 Ų049.4 Ų49.40%027%0.267CS..EExtended strand (participates in β ladder)trans-138.2152.3179.8-70.1-84.6000109.9I291 T299 T300 I302 Q314 H320 L325 F328 L359I291-F316 HydrophobicContact CB-CE1 4.47Å; I291-F316 HydrophobicContact CD1-CD1 4.23Å; I291-F316 HydrophobicContact CD1-CE1 3.33Å; I291-F316 HydrophobicContact CD1-CZ 3.5Å; I291-F316 VanDerWaalsContact CD1-CZ 3.5Å; I291-F316 HydrophobicContact CG1-CE1 3.78Å; I291-F316 HydrophobicContact CG1-CZ 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.75Å; I291-F316 HydrophobicContact CG2-CE1 3.88Å; T299-F316 CarbonylContact C-O 3.43Å; T299-F316 VanDerWaalsContact CA-O 3.23Å; T299-F316 WeakPolarHBondContact CA-O 3.19Å; T300-F316 HydrophobicContact CG2-CB 4.23Å; T300-F316 PolarHBondContact N-O 3.5Å; T300-F316 PolarHBondContact O-N 3.11Å; T300-F316 VanDerWaalsContact O-O 3.12Å; I302-F316 HydrophobicContact CB-CD2 4.19Å; I302-F316 HydrophobicContact CB-CE2 4.41Å; I302-F316 HydrophobicContact CD1-CD2 4.21Å; I302-F316 HydrophobicContact CG1-CD2 4.35Å; Q314-F316 HydrophobicContact CB-CD2 4.29Å; Q314-F316 HydrophobicContact CB-CE2 3.54Å; Q314-F316 HydrophobicContact CB-CZ 4.06Å; Q314-F316 HydrophobicContact CG-CD2 3.99Å; Q314-F316 HydrophobicContact CG-CE1 4.24Å; Q314-F316 HydrophobicContact CG-CE2 3.32Å; Q314-F316 HydrophobicContact CG-CZ 3.45Å; Q314-F316 VanDerWaalsContact CG-CZ 3.45Å; Q314-F316 WeakPolarHBondContact O-CD2 3.35Å; F316-H320 HydrophobicContact CD1-CB 4.36Å; F316-H320 AromaticContact CD1-CD2 3.87Å; F316-L325 HydrophobicContact CD2-CD2 4Å; F316-L325 HydrophobicContact CE1-CD2 4.18Å; F316-L325 HydrophobicContact CE2-CD2 3.35Å; F316-L325 HydrophobicContact CZ-CD2 3.48Å; F316-L325 VanDerWaalsContact CZ-CD2 3.48Å; F316-L325 HydrophobicContact CZ-CG 4.4Å; F316-F328 HydrophobicContact CZ-CB 4.25Å; F316-F328 HydrophobicContact CZ-CD1 4.34Å; F316-F328 HydrophobicContact CZ-CG 4.18Å; F316-L359 HydrophobicContact CB-CD1 3.58Å; F316-L359 HydrophobicContact CG-CD1 4.13Å
317N91.3Very high87.9Confident3 Ų354.8 Ų54.82%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-75153.9161.4-69.6-3.2000112.6D294 P298 T299 T319 H320D294-N317 WeakPolarHBondContact CB-ND2 3.27Å; D294-N317 PolarHBondContact N-ND2 3.02Å; D294-N317 PolarHBondContact O-ND2 2.81Å; D294-N317 VanDerWaalsContact O-ND2 3.07Å; P298-N317 WeakPolarHBondContact O-CA 3.08Å; T299-N317 WeakPolarHBondContact CG2-OD1 3.47Å; N317-T319 PolarHBondContact O-N 2.82Å; N317-T319 VanDerWaalsContact O-N 3.14Å; N317-H320 PolarHBondContact N-CD2 3.45Å; N317-H320 PolarHBondContact O-CD2 3.32Å; N317-H320 PolarHBondContact O-N 3.3Å
318H89.1Confident88.2Confident34 Ų3453 Ų5316%0.15728%0.276CS..THydrogen-bonded Turntrans-61.5-21.9178.2-70-164.7000114P298 Q360P298-H318 HydrophobicContact CG-CB 4.22Å; P298-H318 PolarHBondContact O-CD2 3.12Å; P298-H318 PolarHBondContact O-N 3.32Å; H318-Q360 HydrophobicContact CB-CB 4.43Å
319T88.2Confident88.7Confident83 Ų8350.1 Ų50.151%0.50926%0.261SS..THydrogen-bonded Turntrans-82-11-179.148.40000113.9Q297 N317Q297-T319 PolarHBondContact OE1-OG1 2.98Å; N317-T319 PolarHBondContact O-N 2.82Å; N317-T319 VanDerWaalsContact O-N 3.14Å
320H89.9Confident89.1Confident23 Ų2348.8 Ų48.811%0.10624%0.238CC..  trans-67.2158.5175.2-72.9-61.1000112.1S292 F316 N317 D324 T358 L359S292-H320 PolarHBondContact O-CE1 2.95Å; S292-H320 PolarHBondContact O-NE2 3.34Å; F316-H320 HydrophobicContact CD1-CB 4.36Å; F316-H320 AromaticContact CD1-CD2 3.87Å; N317-H320 PolarHBondContact N-CD2 3.45Å; N317-H320 PolarHBondContact O-CD2 3.32Å; N317-H320 PolarHBondContact O-N 3.3Å; H320-D324 HydrophobicContact CB-CB 4.5Å; H320-D324 WeakPolarHBondContact CB-OD2 3.31Å; H320-D324 IonicContact CG-OD2 3Å; H320-D324 IonicContact ND1-OD2 3.8Å; H320-D324 PolarHBondContact ND1-OD2 3.41Å; H320-D324 VanDerWaalsContact ND1-OD2 3.12Å; H320-T358 CarbonylContact O-C 3.55Å; H320-T358 VanDerWaalsContact O-CA 3.29Å; H320-T358 WeakPolarHBondContact O-CA 3.43Å; H320-L359 HydrophobicContact CB-CD1 3.96Å; H320-L359 HydrophobicContact CB-CG 4.33Å; H320-L359 WeakPolarHBondContact O-CG 3.22Å; H320-L359 PolarHBondContact O-N 2.86Å
321R91.2Very high89.1Confident127 Ų12751.6 Ų51.648%0.47925%0.246SC..BIsolated β-bridgetrans-104.9163.6-178.1-63.3-179.4-175.6-150.5-2.3111.5S323 D324 Q357R321-S323 WeakPolarHBondContact CB-OG 3.22Å; R321-S323 PolarHBondContact O-N 3.37Å; R321-D324 PolarHBondContact N-OD2 3.34Å; R321-D324 VanDerWaalsContact N-OD2 3.1Å; R321-D324 WeakPolarHBondContact O-CB 3.46Å; R321-D324 PolarHBondContact O-N 2.97Å; R321-D324 VanDerWaalsContact O-N 3.07Å; R321-Q357 WeakPolarHBondContact CA-O 3.43Å
322I89.8Confident88.9Confident4 Ų444.4 Ų44.42%0.02122%0.215CC..Hα-helixtrans-62.9-29.4173-63.8171.6000110.9D324 L325 R326 L352 D354 Q357 A362 L364I322-D324 VanDerWaalsContact C-N 3.26Å; I322-D324 PolarHBondContact O-N 2.92Å; I322-L325 WeakPolarHBondContact O-CB 3.38Å; I322-L325 PolarHBondContact O-N 2.78Å; I322-R326 PolarHBondContact O-N 3.07Å; I322-R326 VanDerWaalsContact O-N 3.1Å; I322-L352 HydrophobicContact CD1-CB 4.15Å; I322-L352 HydrophobicContact CD1-CD1 4.5Å; I322-L352 HydrophobicContact CD1-CD2 4Å; I322-L352 HydrophobicContact CD1-CG 4.43Å; I322-L352 HydrophobicContact CG2-CB 4.09Å; I322-D354 WeakPolarHBondContact CD1-O 3.36Å; I322-Q357 HydrophobicContact CD1-CB 4.08Å; I322-Q357 PolarHBondContact N-O 2.89Å; I322-Q357 VanDerWaalsContact N-O 3.12Å; I322-A362 HydrophobicContact CD1-CB 3.85Å; I322-L364 HydrophobicContact CD1-CD1 4.2Å; I322-L364 HydrophobicContact CG1-CD1 4.09Å
323S88.4Confident88.7Confident30 Ų3045 Ų4521%0.2122%0.217CC..Hα-helixtrans-54.7-40.5170.259.90000113.2R321 L325 R326 Q327 E355R321-S323 WeakPolarHBondContact CB-OG 3.22Å; R321-S323 PolarHBondContact O-N 3.37Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-R326 WeakPolarHBondContact O-CB 3.08Å; S323-R326 PolarHBondContact O-N 3.03Å; S323-Q327 WeakPolarHBondContact O-CG 3.46Å; S323-Q327 PolarHBondContact O-N 2.92Å; S323-E355 PolarHBondContact N-O 2.95Å; S323-E355 VanDerWaalsContact N-O 3.09Å
324D89.5Confident88Confident42 Ų4244 Ų4423%0.22521%0.212CC..Hα-helixtrans-70.2-36-176.4-54.6-19000110.3H320 R321 I322 Q327 F328H320-D324 HydrophobicContact CB-CB 4.5Å; H320-D324 WeakPolarHBondContact CB-OD2 3.31Å; H320-D324 IonicContact CG-OD2 3Å; H320-D324 IonicContact ND1-OD2 3.8Å; H320-D324 PolarHBondContact ND1-OD2 3.41Å; H320-D324 VanDerWaalsContact ND1-OD2 3.12Å; R321-D324 PolarHBondContact N-OD2 3.34Å; R321-D324 VanDerWaalsContact N-OD2 3.1Å; R321-D324 WeakPolarHBondContact O-CB 3.46Å; R321-D324 PolarHBondContact O-N 2.97Å; R321-D324 VanDerWaalsContact O-N 3.07Å; I322-D324 VanDerWaalsContact C-N 3.26Å; I322-D324 PolarHBondContact O-N 2.92Å; D324-Q327 PolarHBondContact O-N 3.21Å; D324-F328 WeakPolarHBondContact O-CB 3.41Å; D324-F328 PolarHBondContact O-N 3.37Å
325L88.3Confident87.2Confident1 Ų147.2 Ų47.21%0.00523%0.233CC..Hα-helixtrans-62.3-43.5171.3-75.7170.3000111.7I302 I304 F316 I322 S323 F328 V329 L343 L359 I369I302-L325 HydrophobicContact CB-CD2 4.41Å; I302-L325 HydrophobicContact CD1-CD1 4.08Å; I302-L325 HydrophobicContact CD1-CD2 4.04Å; I302-L325 HydrophobicContact CG2-CD2 4.07Å; I304-L325 HydrophobicContact CD1-CD2 4.02Å; F316-L325 HydrophobicContact CD2-CD2 4Å; F316-L325 HydrophobicContact CE1-CD2 4.18Å; F316-L325 HydrophobicContact CE2-CD2 3.35Å; F316-L325 HydrophobicContact CZ-CD2 3.48Å; F316-L325 VanDerWaalsContact CZ-CD2 3.48Å; F316-L325 HydrophobicContact CZ-CG 4.4Å; I322-L325 WeakPolarHBondContact O-CB 3.38Å; I322-L325 PolarHBondContact O-N 2.78Å; S323-L325 VanDerWaalsContact C-N 3.34Å; L325-F328 WeakPolarHBondContact O-CB 3.3Å; L325-F328 PolarHBondContact O-N 3.21Å; L325-V329 WeakPolarHBondContact O-CG2 3.3Å; L325-V329 PolarHBondContact O-N 3.26Å; L325-L343 HydrophobicContact CB-CD1 4.3Å; L325-L359 HydrophobicContact CD1-CD2 3.45Å; L325-L359 VanDerWaalsContact CD1-CD2 3.45Å; L325-L359 HydrophobicContact CG-CD2 4.13Å; L325-I369 HydrophobicContact CD1-CD1 3.62Å
326R87.8Confident86Confident87 Ų8741.8 Ų41.833%0.32821%0.213SC..Hα-helixtrans-64.2-44.2178.4-168.1177.8-176.9161.92.4111.1I322 S323 F328 V329 V330 F341 E355I322-R326 PolarHBondContact O-N 3.07Å; I322-R326 VanDerWaalsContact O-N 3.1Å; S323-R326 WeakPolarHBondContact O-CB 3.08Å; S323-R326 PolarHBondContact O-N 3.03Å; R326-F328 VanDerWaalsContact C-N 3.35Å; R326-V329 PolarHBondContact O-N 3.3Å; R326-V330 WeakPolarHBondContact O-CG2 3.46Å; R326-V330 PolarHBondContact O-N 3.28Å; R326-F341 HydrophobicContact CG-CE2 3.92Å; R326-F341 HydrophobicContact CG-CZ 3.72Å; R326-E355 WeakPolarHBondContact CD-OE1 3.3Å; R326-E355 IonicContact CZ-OE1 3.69Å; R326-E355 IonicContact NE-OE1 3.3Å; R326-E355 IonicContact NH1-OE1 2.66Å; R326-E355 PolarHBondContact NH1-OE1 3.29Å
327Q87.9Confident84.8Confident122 Ų12244.3 Ų44.357%0.5723%0.234SC*.Hα-helixtrans-61.8-41.9174.8-73.7-179.3-500112S323 D324 V329 V330 L331S323-Q327 WeakPolarHBondContact O-CG 3.46Å; S323-Q327 PolarHBondContact O-N 2.92Å; D324-Q327 PolarHBondContact O-N 3.21Å; Q327-V329 VanDerWaalsContact C-N 3.34Å; Q327-V329 PolarHBondContact O-N 2.72Å; Q327-V330 PolarHBondContact O-N 2.85Å; Q327-L331 WeakPolarHBondContact O-CB 3.3Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.39Å
328F89.4Confident83.5Confident3 Ų348.6 Ų48.61%0.01327%0.27CS..Hα-helixtrans-58.2-45.1175.4172.7-103.3000112.1A287 I291 I304 L312 Q314 F316 D324 L325 R326 L331 A332A287-F328 HydrophobicContact CB-CD2 3.57Å; A287-F328 HydrophobicContact CB-CE2 3.62Å; I291-F328 HydrophobicContact CD1-CB 4.1Å; I291-F328 HydrophobicContact CD1-CD2 3.33Å; I291-F328 HydrophobicContact CD1-CE2 3.97Å; I291-F328 HydrophobicContact CD1-CG 3.87Å; I291-F328 HydrophobicContact CG1-CD2 4.38Å; I304-F328 HydrophobicContact CD1-CD1 3.85Å; I304-F328 HydrophobicContact CD1-CE1 4.11Å; L312-F328 HydrophobicContact CB-CE1 4.06Å; L312-F328 HydrophobicContact CD1-CE1 3.96Å; Q314-F328 HydrophobicContact CB-CD1 4.41Å; Q314-F328 HydrophobicContact CB-CE1 3.75Å; Q314-F328 HydrophobicContact CB-CE2 4.12Å; Q314-F328 HydrophobicContact CB-CZ 3.59Å; Q314-F328 HydrophobicContact CG-CD2 4.19Å; Q314-F328 HydrophobicContact CG-CE1 4.21Å; Q314-F328 HydrophobicContact CG-CE2 3.81Å; Q314-F328 HydrophobicContact CG-CZ 3.83Å; F316-F328 HydrophobicContact CZ-CB 4.25Å; F316-F328 HydrophobicContact CZ-CD1 4.34Å; F316-F328 HydrophobicContact CZ-CG 4.18Å; D324-F328 WeakPolarHBondContact O-CB 3.41Å; D324-F328 PolarHBondContact O-N 3.37Å; L325-F328 WeakPolarHBondContact O-CB 3.3Å; L325-F328 PolarHBondContact O-N 3.21Å; R326-F328 VanDerWaalsContact C-N 3.35Å; F328-L331 PolarHBondContact O-N 2.97Å; F328-A332 VanDerWaalsContact O-CB 3.24Å; F328-A332 WeakPolarHBondContact O-CB 3.45Å; F328-A332 PolarHBondContact O-N 3.39Å
329V88.2Confident82.6Confident0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-63.1-42.9176.6172.90000111.5I304 L306 L325 R326 Q327 L331 A332 R333 F341I304-V329 HydrophobicContact CD1-CG2 3.77Å; I304-V329 HydrophobicContact CG2-CG2 4.03Å; L306-V329 HydrophobicContact CD2-CG1 3.81Å; L306-V329 HydrophobicContact CD2-CG2 4.42Å; L325-V329 WeakPolarHBondContact O-CG2 3.3Å; L325-V329 PolarHBondContact O-N 3.26Å; R326-V329 PolarHBondContact O-N 3.3Å; Q327-V329 VanDerWaalsContact C-N 3.34Å; Q327-V329 PolarHBondContact O-N 2.72Å; V329-L331 PolarHBondContact O-N 3.17Å; V329-A332 PolarHBondContact O-N 3.03Å; V329-R333 PolarHBondContact O-N 3.5Å; V329-F341 HydrophobicContact CB-CZ 4.13Å; V329-F341 HydrophobicContact CG1-CE1 4.36Å; V329-F341 HydrophobicContact CG1-CE2 4.21Å; V329-F341 HydrophobicContact CG1-CZ 3.79Å
330V87Confident82.2Confident48 Ų4856.6 Ų56.629%0.29130%0.296SS..Hα-helixtrans-62.1-41.3177.5163.60000112R326 Q327 R333 P334 A337 F341R326-V330 WeakPolarHBondContact O-CG2 3.46Å; R326-V330 PolarHBondContact O-N 3.28Å; Q327-V330 PolarHBondContact O-N 2.85Å; V330-R333 CarbonylContact O-C 3.24Å; V330-R333 VanDerWaalsContact O-C 3.24Å; V330-P334 WeakPolarHBondContact O-CA 3.3Å; V330-A337 HydrophobicContact CB-CB 4.48Å; V330-A337 HydrophobicContact CG1-CB 3.71Å; V330-A337 HydrophobicContact CG2-CB 4.41Å; V330-F341 HydrophobicContact CG2-CE1 4.15Å; V330-F341 HydrophobicContact CG2-CZ 4.22Å
331L86.1Confident82Confident85 Ų8556 Ų5645%0.44529%0.293SS..Hα-helixtrans-73.1-41.9178-69.8173.7000112.3A287 S290 Q327 F328 V329 R333A287-L331 HydrophobicContact CB-CB 3.7Å; S290-L331 WeakPolarHBondContact OG-CD1 3.19Å; Q327-L331 WeakPolarHBondContact O-CB 3.3Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.39Å; F328-L331 PolarHBondContact O-N 2.97Å; V329-L331 PolarHBondContact O-N 3.17Å; L331-R333 VanDerWaalsContact C-N 3.3Å; L331-R333 PolarHBondContact O-N 3.03Å
332A85.8Confident81.9Confident0 Ų051.4 Ų51.40%028%0.279CS..Hα-helixtrans-68.7-30.9179.200000112.2E284 A287 L312 F328 V329E284-A332 HydrophobicContact CG-CB 4.26Å; A287-A332 HydrophobicContact CB-CB 3.87Å; L312-A332 HydrophobicContact CD1-CB 3.78Å; F328-A332 VanDerWaalsContact O-CB 3.24Å; F328-A332 WeakPolarHBondContact O-CB 3.45Å; F328-A332 PolarHBondContact O-N 3.39Å; V329-A332 PolarHBondContact O-N 3.03Å
333R83.2Confident81.9Confident20 Ų2051.7 Ų51.78%0.07528%0.281CS..  trans-135.282.5178.1-65.5-65.2-176.3-98.1-0.1110.8Q280 E284 L306 D308 V329 V330 L331 T335 M336Q280-R333 PolarHBondContact O-NH1 2.94Å; E284-R333 IonicContact OE1-CZ 3.12Å; E284-R333 VanDerWaalsContact OE1-CZ 3.24Å; E284-R333 IonicContact OE1-NH1 3.64Å; E284-R333 PolarHBondContact OE1-NH1 3.29Å; E284-R333 IonicContact OE1-NH2 3.09Å; E284-R333 PolarHBondContact OE1-NH2 3.38Å; L306-R333 HydrophobicContact CD1-CG 3.93Å; D308-R333 IonicContact OD2-NE 2.94Å; V329-R333 PolarHBondContact O-N 3.5Å; V330-R333 CarbonylContact O-C 3.24Å; V330-R333 VanDerWaalsContact O-C 3.24Å; L331-R333 VanDerWaalsContact C-N 3.3Å; L331-R333 PolarHBondContact O-N 3.03Å; R333-T335 PolarHBondContact O-N 3.36Å; R333-T335 VanDerWaalsContact O-N 3.12Å; R333-M336 HydrophobicContact CB-CB 4.2Å; R333-M336 HydrophobicContact CB-CG 3.84Å; R333-M336 WeakPolarHBondContact O-CB 3.34Å; R333-M336 PolarHBondContact O-N 3Å
334P77.7Confident81.9Confident70 Ų7051.7 Ų51.746%0.45528%0.278SS..G310 helixtrans-59.2-26.9178.7-24.534.4000113.6V330 M336 A337V330-P334 WeakPolarHBondContact O-CA 3.3Å; P334-M336 PolarHBondContact O-N 3.07Å; P334-A337 WeakPolarHBondContact O-CB 3.43Å; P334-A337 PolarHBondContact O-N 3.29Å; P334-A337 VanDerWaalsContact O-N 3.14Å
335T70.8Confident81.9Confident83 Ų8350.5 Ų50.551%0.50927%0.272SS..G310 helixtrans-61.1-27173.750.20000113R333R333-T335 PolarHBondContact O-N 3.36Å; R333-T335 VanDerWaalsContact O-N 3.12Å
336M66.4Low81.7Confident12 Ų1252.9 Ų52.96%0.05929%0.286CS..G310 helixtrans-89.9-12.7178.6-59.4-61.7179.900112.8L269 D308 R333 P334 A338 R339L269-M336 HydrophobicContact CD2-CE 4.47Å; D308-M336 HydrophobicContact CB-CE 3.74Å; R333-M336 HydrophobicContact CB-CB 4.2Å; R333-M336 HydrophobicContact CB-CG 3.84Å; R333-M336 WeakPolarHBondContact O-CB 3.34Å; R333-M336 PolarHBondContact O-N 3Å; P334-M336 PolarHBondContact O-N 3.07Å; M336-A338 PolarHBondContact O-N 3.14Å; M336-R339 PolarHBondContact O-N 3.19Å; M336-R339 VanDerWaalsContact O-O 3.13Å
337A64.5Low81.2Confident53 Ų5357.8 Ų57.844%0.43831%0.31SS..THydrogen-bonded Turntrans-62.8-27.3173.500000112.5V330 P334 R339V330-A337 HydrophobicContact CB-CB 4.48Å; V330-A337 HydrophobicContact CG1-CB 3.71Å; V330-A337 HydrophobicContact CG2-CB 4.41Å; P334-A337 WeakPolarHBondContact O-CB 3.43Å; P334-A337 PolarHBondContact O-N 3.29Å; P334-A337 VanDerWaalsContact O-N 3.14Å; A337-R339 VanDerWaalsContact C-N 3.28Å; A337-R339 PolarHBondContact O-N 2.91Å
338A65Low81Confident94 Ų9457 Ų5778%0.77732%0.316SS*.THydrogen-bonded Turntrans-77.2-10.2-178.500000113.8M336M336-A338 PolarHBondContact O-N 3.14Å
339R70.5Confident80.8Confident136 Ų13663.1 Ų63.151%0.51335%0.349SS..SBendtrans-122.5141.7-178.3-68.8-172.6-179.5-174.80.8111.1M336 A337 F341 L373M336-R339 PolarHBondContact O-N 3.19Å; M336-R339 VanDerWaalsContact O-O 3.13Å; A337-R339 VanDerWaalsContact C-N 3.28Å; A337-R339 PolarHBondContact O-N 2.91Å; R339-F341 WeakPolarHBondContact O-CD1 3.39Å; R339-L373 HydrophobicContact CB-CD2 4.42Å
340E79.1Confident80.7Confident149 Ų14967.9 Ų67.970%0.69637%0.37SS*.  trans-71.2132.7171.6-64.2-171.916500109.9
341F85.9Confident80.8Confident10 Ų1071.1 Ų71.14%0.04438%0.382CS..EExtended strand (participates in β ladder)trans-138.915317863.5-97.8000110.3R326 V329 V330 R339 L343 Q371 R372 L373R326-F341 HydrophobicContact CG-CE2 3.92Å; R326-F341 HydrophobicContact CG-CZ 3.72Å; V329-F341 HydrophobicContact CB-CZ 4.13Å; V329-F341 HydrophobicContact CG1-CE1 4.36Å; V329-F341 HydrophobicContact CG1-CE2 4.21Å; V329-F341 HydrophobicContact CG1-CZ 3.79Å; V330-F341 HydrophobicContact CG2-CE1 4.15Å; V330-F341 HydrophobicContact CG2-CZ 4.22Å; R339-F341 WeakPolarHBondContact O-CD1 3.39Å; F341-L343 HydrophobicContact CD2-CD2 4.25Å; F341-L343 HydrophobicContact CD2-CG 4.38Å; F341-L343 HydrophobicContact CE2-CD2 4.08Å; F341-L343 HydrophobicContact CE2-CG 4.18Å; F341-Q371 HydrophobicContact CB-CG 3.94Å; F341-Q371 HydrophobicContact CD2-CG 3.73Å; F341-Q371 HydrophobicContact CE2-CG 4.45Å; F341-Q371 HydrophobicContact CG-CG 3.97Å; F341-R372 CarbonylContact C-O 3.44Å; F341-R372 WeakPolarHBondContact CA-O 3.49Å; F341-R372 WeakPolarHBondContact CB-O 3.36Å; F341-L373 HydrophobicContact CB-CD2 4.12Å
342V88.6Confident80.8Confident31 Ų3167.7 Ų67.719%0.18836%0.364CS..EExtended strand (participates in β ladder)trans-111.8136.8176.4-1780000108.7M344 E351 R372V342-M344 HydrophobicContact CG1-CG 4.08Å; V342-E351 HydrophobicContact CG1-CB 4.24Å; V342-E351 HydrophobicContact CG1-CG 4.32Å; V342-R372 PolarHBondContact N-O 3.37Å; V342-R372 PolarHBondContact O-N 3.38Å
343L88.9Confident80.6Confident10 Ų1071.8 Ų71.85%0.05240%0.397CS..EExtended strand (participates in β ladder)trans-92.5130.2171.2-65.1176.1000108.7L325 F341 L352 I369 Q371L325-L343 HydrophobicContact CB-CD1 4.3Å; F341-L343 HydrophobicContact CD2-CD2 4.25Å; F341-L343 HydrophobicContact CD2-CG 4.38Å; F341-L343 HydrophobicContact CE2-CD2 4.08Å; F341-L343 HydrophobicContact CE2-CG 4.18Å; L343-L352 HydrophobicContact CB-CB 4.21Å; L343-L352 HydrophobicContact CB-CD1 4.08Å; L343-L352 VanDerWaalsContact O-CB 3.31Å; L343-L352 WeakPolarHBondContact O-CB 3.35Å; L343-L352 PolarHBondContact O-N 3.12Å; L343-I369 HydrophobicContact CB-CG2 3.78Å; L343-I369 HydrophobicContact CD2-CG2 3.96Å; L343-I369 HydrophobicContact CG-CG2 4.33Å; L343-Q371 HydrophobicContact CD2-CB 4.24Å; L343-Q371 HydrophobicContact CD2-CG 4.44Å
344M89.8Confident80.6Confident30 Ų3074.7 Ų74.715%0.14841%0.414CS..EExtended strand (participates in β ladder)trans-129.9146-179.4-53.7-169.1-49.700110.4V342 K350 E351 I369 V370 R372V342-M344 HydrophobicContact CG1-CG 4.08Å; M344-K350 WeakPolarHBondContact CA-O 3.29Å; M344-E351 HydrophobicContact CG-CG 3.99Å; M344-E351 HydrophobicContact SD-CG 3.93Å; M344-I369 CarbonylContact O-C 3.28Å; M344-I369 WeakPolarHBondContact O-CA 3.41Å; M344-V370 PolarHBondContact N-O 3.44Å; M344-V370 PolarHBondContact O-N 3.38Å; M344-R372 HydrophobicContact CE-CB 3.95Å; M344-R372 HydrophobicContact CE-CG 4.4Å; M344-R372 HydrophobicContact SD-CB 4.4Å
345T89.4Confident80.9Confident17 Ų1775.3 Ų75.310%0.10441%0.411CS..EExtended strand (participates in β ladder)trans-80.9155.7166.452.30000110.5P348 N349 K350 L352 L364T345-P348 WeakPolarHBondContact CB-O 3.49Å; T345-P348 PolarHBondContact OG1-O 3.38Å; T345-N349 WeakPolarHBondContact O-CA 3.35Å; T345-N349 PolarHBondContact O-OD1 3.35Å; T345-N349 VanDerWaalsContact O-OD1 3.07Å; T345-K350 PolarHBondContact N-O 3.18Å; T345-K350 WeakPolarHBondContact OG1-CB 3.19Å; T345-K350 PolarHBondContact OG1-N 3.27Å; T345-K350 PolarHBondContact OG1-O 3.12Å; T345-L352 HydrophobicContact CG2-CD2 4.43Å; T345-L364 HydrophobicContact CG2-CD2 3.33Å
346T82.9Confident81.7Confident50 Ų5074.7 Ų74.731%0.30741%0.41SS..SBendtrans-86.7-32.1178.451.40000113.8N349 V370T346-N349 VanDerWaalsContact C-OD1 3.29Å; T346-N349 WeakPolarHBondContact CA-OD1 3.38Å; T346-N349 PolarHBondContact O-OD1 3.1Å; T346-V370 HydrophobicContact CG2-CG2 3.38Å
347F78.5Confident82.8Confident190 Ų19076.1 Ų76.183%0.83342%0.417SS*.SBendtrans-151.7113.5-178.8-73.3-78.2000111.3
348P83.3Confident84Confident105 Ų10575.1 Ų75.168%0.68241%0.405SS*.SBendcis-62.7153.8-14.328.9-34.1000110.9T345 K350T345-P348 WeakPolarHBondContact CB-O 3.49Å; T345-P348 PolarHBondContact OG1-O 3.38Å; P348-K350 PolarHBondContact O-N 3.49Å
349N84.7Confident85.1Confident133 Ų13370.6 Ų70.671%0.71137%0.368SS*.  trans-67.2101.1172-80.5-18.3000109.2T345 T346T345-N349 WeakPolarHBondContact O-CA 3.35Å; T345-N349 PolarHBondContact O-OD1 3.35Å; T345-N349 VanDerWaalsContact O-OD1 3.07Å; T346-N349 VanDerWaalsContact C-OD1 3.29Å; T346-N349 WeakPolarHBondContact CA-OD1 3.38Å; T346-N349 PolarHBondContact O-OD1 3.1Å
350K86.4Confident86Confident100 Ų10069.9 Ų69.944%0.43537%0.37SS..  trans-125.8127178.2-172.2-175.1177-165.60108.7M344 T345 P348M344-K350 WeakPolarHBondContact CA-O 3.29Å; T345-K350 PolarHBondContact N-O 3.18Å; T345-K350 WeakPolarHBondContact OG1-CB 3.19Å; T345-K350 PolarHBondContact OG1-N 3.27Å; T345-K350 PolarHBondContact OG1-O 3.12Å; P348-K350 PolarHBondContact O-N 3.49Å
351E88.7Confident86.3Confident116 Ų11668.8 Ų68.854%0.54237%0.365SS..BIsolated β-bridgetrans-75.9128.3173.3-64.7-177.2171.300109.7V342 M344 A353V342-E351 HydrophobicContact CG1-CB 4.24Å; V342-E351 HydrophobicContact CG1-CG 4.32Å; M344-E351 HydrophobicContact CG-CG 3.99Å; M344-E351 HydrophobicContact SD-CG 3.93Å; E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.43Å; E351-A353 VanDerWaalsContact O-N 3.14Å
352L85.7Confident86.2Confident13 Ų1368.8 Ų68.87%0.06837%0.367CS..  trans-87.370.5178.2-60.9-179.7000109.4I322 L343 T345 L364 I369I322-L352 HydrophobicContact CD1-CB 4.15Å; I322-L352 HydrophobicContact CD1-CD1 4.5Å; I322-L352 HydrophobicContact CD1-CD2 4Å; I322-L352 HydrophobicContact CD1-CG 4.43Å; I322-L352 HydrophobicContact CG2-CB 4.09Å; L343-L352 HydrophobicContact CB-CB 4.21Å; L343-L352 HydrophobicContact CB-CD1 4.08Å; L343-L352 VanDerWaalsContact O-CB 3.31Å; L343-L352 WeakPolarHBondContact O-CB 3.35Å; L343-L352 PolarHBondContact O-N 3.12Å; T345-L352 HydrophobicContact CG2-CD2 4.43Å; L352-L364 HydrophobicContact CD1-CD1 3.62Å; L352-L364 HydrophobicContact CD1-CD2 4.13Å; L352-L364 HydrophobicContact CD2-CD1 4Å; L352-L364 HydrophobicContact CD2-CD2 4.23Å; L352-L364 HydrophobicContact CG-CD1 4.48Å; L352-I369 HydrophobicContact CD1-CD1 4.03Å; L352-I369 HydrophobicContact CD1-CG1 4.46Å; L352-I369 HydrophobicContact CD1-CG2 4.19Å
353A82Confident86Confident85 Ų8573.5 Ų73.570%0.70239%0.391SS*.  trans-79.3-26.8-178.700000113.6E351 E355E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.43Å; E351-A353 VanDerWaalsContact O-N 3.14Å; A353-E355 PolarHBondContact O-N 2.94Å
354D84.5Confident85.9Confident81 Ų8173.1 Ų73.143%0.43339%0.389SS..  trans-88.599.5-178.2-170.4-13000111I322 S356 Q357I322-D354 WeakPolarHBondContact CD1-O 3.36Å; D354-S356 PolarHBondContact O-N 3.49Å; D354-S356 WeakPolarHBondContact OD1-CB 3.42Å; D354-S356 PolarHBondContact OD1-N 3.11Å; D354-S356 PolarHBondContact OD1-OG 2.82Å; D354-Q357 HydrophobicContact CB-CB 4.28Å; D354-Q357 PolarHBondContact O-N 3.44Å
355E83.5Confident85.8Confident84 Ų8474.6 Ų74.639%0.39340%0.397SS..THydrogen-bonded Turntrans-69.1-16.6-179.8-60-171.5133.700113.5S323 R326 A353S323-E355 PolarHBondContact N-O 2.95Å; S323-E355 VanDerWaalsContact N-O 3.09Å; R326-E355 WeakPolarHBondContact CD-OE1 3.3Å; R326-E355 IonicContact CZ-OE1 3.69Å; R326-E355 IonicContact NE-OE1 3.3Å; R326-E355 IonicContact NH1-OE1 2.66Å; R326-E355 PolarHBondContact NH1-OE1 3.29Å; A353-E355 PolarHBondContact O-N 2.94Å
356S88.2Confident85.7Confident69 Ų6979.1 Ų79.148%0.48342%0.421SS..THydrogen-bonded Turntrans-85.8-17.9-177.576.60000113.4D354D354-S356 PolarHBondContact O-N 3.49Å; D354-S356 WeakPolarHBondContact OD1-CB 3.42Å; D354-S356 PolarHBondContact OD1-N 3.11Å; D354-S356 PolarHBondContact OD1-OG 2.82Å
357Q88.4Confident86Confident43 Ų4377.7 Ų77.720%0.20141%0.414CS..SBendtrans-69140.1-177.2-169.1171.140.900111.4R321 I322 D354 E361 A362R321-Q357 WeakPolarHBondContact CA-O 3.43Å; I322-Q357 HydrophobicContact CD1-CB 4.08Å; I322-Q357 PolarHBondContact N-O 2.89Å; I322-Q357 VanDerWaalsContact N-O 3.12Å; D354-Q357 HydrophobicContact CB-CB 4.28Å; D354-Q357 PolarHBondContact O-N 3.44Å; Q357-E361 HydrophobicContact CG-CB 3.6Å; Q357-E361 PolarHBondContact NE2-O 3.05Å; Q357-A362 HydrophobicContact CG-CB 4.08Å
358T90.8Very high86.6Confident31 Ų3170.9 Ų70.919%0.1939%0.388CS..BIsolated β-bridgetrans-76.8157.2176.461.90000111.8H320 Q360 E361 A362H320-T358 CarbonylContact O-C 3.55Å; H320-T358 VanDerWaalsContact O-CA 3.29Å; H320-T358 WeakPolarHBondContact O-CA 3.43Å; T358-Q360 PolarHBondContact O-N 3.24Å; T358-E361 PolarHBondContact N-OE2 3.34Å; T358-E361 PolarHBondContact O-N 2.71Å; T358-E361 WeakPolarHBondContact OG1-CB 3.44Å; T358-E361 WeakPolarHBondContact OG1-CG 3.38Å; T358-E361 PolarHBondContact OG1-N 3.46Å; T358-E361 PolarHBondContact OG1-OE2 3.19Å; T358-A362 WeakPolarHBondContact O-CB 3.32Å; T358-A362 PolarHBondContact O-N 3.06Å
359L88Confident87Confident0 Ų065.9 Ų65.90%036%0.356CS..THydrogen-bonded Turntrans-57.8-33.9176.2-62.5180000112.4T300 I302 F316 H320 L325 N363 L364T300-L359 HydrophobicContact CG2-CD1 4.06Å; I302-L359 HydrophobicContact CD1-CD1 3.61Å; I302-L359 HydrophobicContact CD1-CD2 3.65Å; I302-L359 HydrophobicContact CD1-CG 4.17Å; F316-L359 HydrophobicContact CB-CD1 3.58Å; F316-L359 HydrophobicContact CG-CD1 4.13Å; H320-L359 HydrophobicContact CB-CD1 3.96Å; H320-L359 HydrophobicContact CB-CG 4.33Å; H320-L359 WeakPolarHBondContact O-CG 3.22Å; H320-L359 PolarHBondContact O-N 2.86Å; L325-L359 HydrophobicContact CD1-CD2 3.45Å; L325-L359 VanDerWaalsContact CD1-CD2 3.45Å; L325-L359 HydrophobicContact CG-CD2 4.13Å; L359-N363 PolarHBondContact O-N 3.45Å; L359-L364 HydrophobicContact CD2-CB 4.29Å; L359-L364 HydrophobicContact CD2-CD1 4.05Å; L359-L364 PolarHBondContact O-N 3.4Å
360Q87.6Confident87.3Confident121 Ų12161.6 Ų61.657%0.56533%0.334SS*.THydrogen-bonded Turntrans-69.5-46.7176.8-176.1174.7-6.700112.3H318 T358 A362 N363H318-Q360 HydrophobicContact CB-CB 4.43Å; T358-Q360 PolarHBondContact O-N 3.24Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.96Å; Q360-N363 PolarHBondContact O-N 2.98Å; Q360-N363 VanDerWaalsContact O-N 3.14Å
361E86.3Confident87.3Confident126 Ų12657.1 Ų57.159%0.58932%0.315SS*.THydrogen-bonded Turntrans-67.2-33.7179.1-70.3164.2154.900112.3Q357 T358 N363Q357-E361 HydrophobicContact CG-CB 3.6Å; Q357-E361 PolarHBondContact NE2-O 3.05Å; T358-E361 PolarHBondContact N-OE2 3.34Å; T358-E361 PolarHBondContact O-N 2.71Å; T358-E361 WeakPolarHBondContact OG1-CB 3.44Å; T358-E361 WeakPolarHBondContact OG1-CG 3.38Å; T358-E361 PolarHBondContact OG1-N 3.46Å; T358-E361 PolarHBondContact OG1-OE2 3.19Å; E361-N363 PolarHBondContact O-N 3.49Å
362A83.1Confident87.2Confident9 Ų958.1 Ų58.17%0.07431%0.313CS..THydrogen-bonded Turntrans-77.3-3.3175.800000113.4I322 Q357 T358 Q360 L364I322-A362 HydrophobicContact CD1-CB 3.85Å; Q357-A362 HydrophobicContact CG-CB 4.08Å; T358-A362 WeakPolarHBondContact O-CB 3.32Å; T358-A362 PolarHBondContact O-N 3.06Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.96Å; A362-L364 VanDerWaalsContact C-N 3.28Å; A362-L364 HydrophobicContact CB-CD1 3.59Å; A362-L364 HydrophobicContact CB-CG 3.66Å; A362-L364 PolarHBondContact O-N 2.83Å
363N86.4Confident87Confident131 Ų13159.9 Ų59.970%0.70132%0.323SS*.THydrogen-bonded Turntrans54.342.4-175.4-158-11.2000112.7L359 Q360 E361 L365L359-N363 PolarHBondContact O-N 3.45Å; Q360-N363 PolarHBondContact O-N 2.98Å; Q360-N363 VanDerWaalsContact O-N 3.14Å; E361-N363 PolarHBondContact O-N 3.49Å; N363-L365 VanDerWaalsContact C-N 3.34Å
364L85.8Confident86.3Confident1 Ų163.7 Ų63.71%0.00533%0.331CS..  trans-97.723.5-178.2-62.6174.2000112.7I302 I322 T345 L352 L359 A362 N366 A367 I369I302-L364 HydrophobicContact CD1-CB 4.44Å; I322-L364 HydrophobicContact CD1-CD1 4.2Å; I322-L364 HydrophobicContact CG1-CD1 4.09Å; T345-L364 HydrophobicContact CG2-CD2 3.33Å; L352-L364 HydrophobicContact CD1-CD1 3.62Å; L352-L364 HydrophobicContact CD1-CD2 4.13Å; L352-L364 HydrophobicContact CD2-CD1 4Å; L352-L364 HydrophobicContact CD2-CD2 4.23Å; L352-L364 HydrophobicContact CG-CD1 4.48Å; L359-L364 HydrophobicContact CD2-CB 4.29Å; L359-L364 HydrophobicContact CD2-CD1 4.05Å; L359-L364 PolarHBondContact O-N 3.4Å; A362-L364 VanDerWaalsContact C-N 3.28Å; A362-L364 HydrophobicContact CB-CD1 3.59Å; A362-L364 HydrophobicContact CB-CG 3.66Å; A362-L364 PolarHBondContact O-N 2.83Å; L364-N366 PolarHBondContact O-N 3.31Å; L364-A367 HydrophobicContact CB-CB 4.28Å; L364-A367 HydrophobicContact CD2-CB 4.16Å; L364-A367 PolarHBondContact O-N 3.41Å; L364-I369 HydrophobicContact CD1-CD1 4.12Å; L364-I369 HydrophobicContact CD2-CD1 4.26Å; L364-I369 HydrophobicContact CD2-CG1 4.31Å
365L87.6Confident86.4Confident62 Ų6262.9 Ų62.933%0.32533%0.326SS..THydrogen-bonded Turntrans-74.6114.6-178.3-56.1-177.3000110.3T300 N363 A367T300-L365 HydrophobicContact CG2-CD2 4.34Å; T300-L365 WeakPolarHBondContact OG1-CA 3.21Å; N363-L365 VanDerWaalsContact C-N 3.34Å; L365-A367 PolarHBondContact O-N 3.46Å
366N88.3Confident86.5Confident111 Ų11161.7 Ų61.759%0.59432%0.323SS*.THydrogen-bonded Turntrans5732.1-174.3-57.1-56000113T300 N301 L364T300-N366 PolarHBondContact OG1-N 3.44Å; T300-N366 PolarHBondContact OG1-OD1 3.15Å; N301-N366 PolarHBondContact N-OD1 2.71Å; N301-N366 VanDerWaalsContact O-CA 3.26Å; N301-N366 WeakPolarHBondContact O-CA 3.25Å; L364-N366 PolarHBondContact O-N 3.31Å
367A88.2Confident86.5Confident21 Ų2161.3 Ų61.317%0.17431%0.314CS..  trans-88.2157.2-174.900000112.9Q303 L364 L365Q303-A367 PolarHBondContact N-O 3.2Å; L364-A367 HydrophobicContact CB-CB 4.28Å; L364-A367 HydrophobicContact CD2-CB 4.16Å; L364-A367 PolarHBondContact O-N 3.41Å; L365-A367 PolarHBondContact O-N 3.46Å
368V91Very high86.3Confident47 Ų4762.4 Ų62.429%0.28532%0.321SS..EExtended strand (participates in β ladder)trans-99.1122.1168.8-176.40000108.7Q303 R305Q303-V368 HydrophobicContact CB-CG2 4.35Å; Q303-V368 CarbonylContact O-C 3.57Å; Q303-V368 WeakPolarHBondContact O-CA 3.45Å; R305-V368 HydrophobicContact CG-CG1 4.19Å
369I91.1Very high86.1Confident0 Ų064.4 Ų64.40%033%0.329CS..EExtended strand (participates in β ladder)trans-108.5135.8177.6-56.3178.5000107.8I302 Q303 I304 R305 L325 L343 M344 L352 L364I302-I369 HydrophobicContact CG2-CD1 3.57Å; I302-I369 HydrophobicContact CG2-CG1 3.97Å; Q303-I369 PolarHBondContact O-N 3.19Å; I304-I369 CarbonylContact C-O 3.6Å; I304-I369 WeakPolarHBondContact CA-O 3.49Å; R305-I369 PolarHBondContact N-O 3.31Å; L325-I369 HydrophobicContact CD1-CD1 3.62Å; L343-I369 HydrophobicContact CB-CG2 3.78Å; L343-I369 HydrophobicContact CD2-CG2 3.96Å; L343-I369 HydrophobicContact CG-CG2 4.33Å; M344-I369 CarbonylContact O-C 3.28Å; M344-I369 WeakPolarHBondContact O-CA 3.41Å; L352-I369 HydrophobicContact CD1-CD1 4.03Å; L352-I369 HydrophobicContact CD1-CG1 4.46Å; L352-I369 HydrophobicContact CD1-CG2 4.19Å; L364-I369 HydrophobicContact CD1-CD1 4.12Å; L364-I369 HydrophobicContact CD2-CD1 4.26Å; L364-I369 HydrophobicContact CD2-CG1 4.31Å
370V91.1Very high85.9Confident42 Ų4268.7 Ų68.726%0.25535%0.351SS..EExtended strand (participates in β ladder)trans-108.8128.1175.41770000108.2R305 M344 T346R305-V370 HydrophobicContact CB-CG2 4.16Å; M344-V370 PolarHBondContact N-O 3.44Å; M344-V370 PolarHBondContact O-N 3.38Å; T346-V370 HydrophobicContact CG2-CG2 3.38Å
371Q87.7Confident85.8Confident6 Ų664.9 Ų64.93%0.02834%0.335CS..EExtended strand (participates in β ladder)trans-81.1128.2168.5-172.4-172.323.300109R305 F341 L343R305-Q371 WeakPolarHBondContact O-CB 3.45Å; R305-Q371 PolarHBondContact O-N 3.4Å; F341-Q371 HydrophobicContact CB-CG 3.94Å; F341-Q371 HydrophobicContact CD2-CG 3.73Å; F341-Q371 HydrophobicContact CE2-CG 4.45Å; F341-Q371 HydrophobicContact CG-CG 3.97Å; L343-Q371 HydrophobicContact CD2-CB 4.24Å; L343-Q371 HydrophobicContact CD2-CG 4.44Å
372R85Confident85.8Confident137 Ų13760.2 Ų60.252%0.51732%0.316SS..EExtended strand (participates in β ladder)trans-117129.8170.5-176176.6177.3-169.61.4108.9F341 V342 M344F341-R372 CarbonylContact C-O 3.44Å; F341-R372 WeakPolarHBondContact CA-O 3.49Å; F341-R372 WeakPolarHBondContact CB-O 3.36Å; V342-R372 PolarHBondContact N-O 3.37Å; V342-R372 PolarHBondContact O-N 3.38Å; M344-R372 HydrophobicContact CE-CB 3.95Å; M344-R372 HydrophobicContact CE-CG 4.4Å; M344-R372 HydrophobicContact SD-CB 4.4Å
373L82.9Confident86Confident51 Ų5164.5 Ų64.527%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-79.3138.6170.4-63.2167.2000108.5A307 R339 F341A307-L373 HydrophobicContact CB-CD1 3.57Å; A307-L373 HydrophobicContact CB-CD2 4.43Å; A307-L373 HydrophobicContact CB-CG 3.61Å; R339-L373 HydrophobicContact CB-CD2 4.42Å; F341-L373 HydrophobicContact CB-CD2 4.12Å
374N66.9Low86Confident165 Ų16558.5 Ų58.588%0.88230%0.303SS*.  trans-80.80173.5-80.8-11000112.1

Retrieved 374 of 374 residues in 831.5 ms (Link to these results)