A0A087XX30_POEFO Loading...

UBX domain-containing protein 11

May be involved in the reorganization of actin cytoskeleton mediated by RND1, RND2 and RND3. Promotes RHOA activation mediated by GNA12 and GNA13.

AlphaFold DB , UniProt , Accession A0A087XX30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 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
1M78.8Confident88.8Confident108 Ų10867.9 Ų67.953%0.53232%0.319SS..  0129.80-171163.8-167.300108.6V6 Y58 M67M1-V6 HydrophobicContact CE-CG2 4.43Å; M1-Y58 HydrophobicContact CE-CD1 4.35Å; M1-Y58 HydrophobicContact CE-CE1 3.88Å; M1-Y58 HydrophobicContact SD-CD1 3.81Å; M1-Y58 HydrophobicContact SD-CD2 4.23Å; M1-Y58 HydrophobicContact SD-CE1 3.59Å; M1-Y58 VanDerWaalsContact SD-CE1 3.59Å; M1-Y58 HydrophobicContact SD-CE2 4.02Å; M1-Y58 HydrophobicContact SD-CG 4.15Å; M1-M67 HydrophobicContact CE-CB 3.15Å; M1-M67 HydrophobicContact CE-CE 3.17Å; M1-M67 HydrophobicContact CE-CG 3.44Å; M1-M67 VanDerWaalsContact CE-CG 3.44Å; M1-M67 HydrophobicContact CE-SD 4.08Å
2N89.4Confident88.3Confident82 Ų8264.7 Ų64.744%0.43930%0.304SS..  trans-95.896.3-176.4-173.8-22.4000110.2D4 L5 V6N2-D4 VanDerWaalsContact C-N 3.34Å; N2-D4 PolarHBondContact OD1-N 3.19Å; N2-L5 HydrophobicContact CB-CB 3.97Å; N2-L5 PolarHBondContact O-N 3.09Å; N2-L5 PolarHBondContact OD1-N 2.9Å; N2-V6 WeakPolarHBondContact O-CG2 3.48Å; N2-V6 PolarHBondContact O-N 3.09Å; N2-V6 VanDerWaalsContact O-N 3.15Å
3F89.1Confident88.2Confident36 Ų3659.7 Ų59.716%0.15828%0.28CS..Hα-helixtrans-65.5-36.5-178.9-69.3-87.4000112.6L5 V6 L7 Y58 R95F3-L5 VanDerWaalsContact C-N 3.31Å; F3-L5 PolarHBondContact O-N 2.63Å; F3-V6 WeakPolarHBondContact O-CB 3.38Å; F3-V6 PolarHBondContact O-N 2.89Å; F3-L7 WeakPolarHBondContact O-CG 3.47Å; F3-L7 PolarHBondContact O-N 3.31Å; F3-Y58 HydrophobicContact CE1-CE2 4.25Å; F3-Y58 WeakPolarHBondContact CE1-OH 3.49Å; F3-Y58 AromaticContact CZ-CE2 3.95Å; F3-Y58 HydrophobicContact CZ-CE2 3.95Å; F3-R95 HydrophobicContact CD1-CB 4.18Å; F3-R95 HydrophobicContact CE1-CB 4.27Å; F3-R95 HydrophobicContact CG-CB 4.33Å
4D91.9Very high88.1Confident100 Ų10056.1 Ų56.154%0.53526%0.264SS..Hα-helixtrans-65.3-39.2-179.9-56.4-47.1000110.8N2 L7 L8 R95N2-D4 VanDerWaalsContact C-N 3.34Å; N2-D4 PolarHBondContact OD1-N 3.19Å; D4-L7 PolarHBondContact O-N 3.46Å; D4-L8 WeakPolarHBondContact O-CB 3.48Å; D4-L8 PolarHBondContact O-N 3.22Å; D4-R95 IonicContact OD1-CZ 3.66Å; D4-R95 IonicContact OD1-NH1 3.78Å; D4-R95 PolarHBondContact OD1-NH1 2.88Å
5L91.2Very high87.7Confident55 Ų5554.6 Ų54.629%0.28826%0.26SS..Hα-helixtrans-64.2-44.1172.9-178.562.6000111.6N2 F3 L7 L8 R9 M71N2-L5 HydrophobicContact CB-CB 3.97Å; N2-L5 PolarHBondContact O-N 3.09Å; N2-L5 PolarHBondContact OD1-N 2.9Å; F3-L5 VanDerWaalsContact C-N 3.31Å; F3-L5 PolarHBondContact O-N 2.63Å; L5-L7 PolarHBondContact O-N 3.31Å; L5-L8 PolarHBondContact O-N 3.15Å; L5-R9 HydrophobicContact CD1-CG 4.24Å; L5-R9 HydrophobicContact CG-CG 4.46Å; L5-R9 WeakPolarHBondContact O-CG 3.4Å; L5-R9 PolarHBondContact O-N 3.06Å; L5-M71 HydrophobicContact CD2-CB 4.22Å; L5-M71 HydrophobicContact CD2-CG 4.36Å
6V91.6Very high87.1Confident0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-58.6-49176.4169.90000110.8M1 N2 F3 L8 R9 I10 L43 M67 M71M1-V6 HydrophobicContact CE-CG2 4.43Å; N2-V6 WeakPolarHBondContact O-CG2 3.48Å; N2-V6 PolarHBondContact O-N 3.09Å; N2-V6 VanDerWaalsContact O-N 3.15Å; F3-V6 WeakPolarHBondContact O-CB 3.38Å; F3-V6 PolarHBondContact O-N 2.89Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 2.93Å; V6-R9 PolarHBondContact O-N 3.16Å; V6-I10 HydrophobicContact CG1-CD1 3.55Å; V6-I10 HydrophobicContact CG1-CG1 4.32Å; V6-I10 VanDerWaalsContact O-CG1 3.26Å; V6-I10 WeakPolarHBondContact O-CG1 3.41Å; V6-I10 PolarHBondContact O-N 3.16Å; V6-L43 HydrophobicContact CG1-CD1 4.08Å; V6-M67 HydrophobicContact CG1-CE 3.8Å; V6-M67 HydrophobicContact CG2-CE 4.03Å; V6-M71 HydrophobicContact CG2-CG 3.4Å; V6-M71 VanDerWaalsContact CG2-CG 3.4Å; V6-M71 HydrophobicContact CG2-SD 4.08Å
7L90.8Very high86.7Confident30 Ų3049.4 Ų49.416%0.15724%0.236CC..Hα-helixtrans-61.9-41.7179.3-70.2172.4000111.8F3 D4 L5 I10 R11 L43 V91 D93F3-L7 WeakPolarHBondContact O-CG 3.47Å; F3-L7 PolarHBondContact O-N 3.31Å; D4-L7 PolarHBondContact O-N 3.46Å; L5-L7 PolarHBondContact O-N 3.31Å; L7-I10 PolarHBondContact O-N 3.43Å; L7-R11 WeakPolarHBondContact O-CG 3.48Å; L7-R11 PolarHBondContact O-N 3Å; L7-R11 VanDerWaalsContact O-N 3.11Å; L7-L43 HydrophobicContact CD2-CD1 4.01Å; L7-V91 HydrophobicContact CD2-CB 4.4Å; L7-V91 HydrophobicContact CD2-CG1 3.64Å; L7-D93 WeakPolarHBondContact CD1-OD2 3.46Å
8L89.4Confident85.9Confident89 Ų8947.2 Ų47.247%0.46623%0.229SC..Hα-helixtrans-59.5-50.8174.8178.365.3000111D4 L5 V6 I10 R11 E12D4-L8 WeakPolarHBondContact O-CB 3.48Å; D4-L8 PolarHBondContact O-N 3.22Å; L5-L8 PolarHBondContact O-N 3.15Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 2.93Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-I10 PolarHBondContact O-N 3.44Å; L8-R11 WeakPolarHBondContact O-CB 3.47Å; L8-R11 PolarHBondContact O-N 3.3Å; L8-E12 WeakPolarHBondContact O-CG 3.29Å; L8-E12 PolarHBondContact O-N 3.17Å; L8-E12 VanDerWaalsContact O-N 3.14Å
9R88.1Confident85.2Confident68 Ų6850.4 Ų50.426%0.25724%0.244SC..Hα-helixtrans-64.5-37.4-179.6-68.5-50.2-170.5-162-4.6112.9L5 V6 R11 E12 L13 L70 M71L5-R9 HydrophobicContact CD1-CG 4.24Å; L5-R9 HydrophobicContact CG-CG 4.46Å; L5-R9 WeakPolarHBondContact O-CG 3.4Å; L5-R9 PolarHBondContact O-N 3.06Å; V6-R9 PolarHBondContact O-N 3.16Å; R9-R11 VanDerWaalsContact C-N 3.34Å; R9-R11 PolarHBondContact O-N 3.27Å; R9-E12 WeakPolarHBondContact CD-OE2 3.39Å; R9-E12 IonicContact CZ-OE2 2.85Å; R9-E12 IonicContact NE-OE2 3.37Å; R9-E12 IonicContact NH1-OE1 2.95Å; R9-E12 PolarHBondContact NH1-OE1 3.45Å; R9-E12 IonicContact NH1-OE2 3.19Å; R9-E12 PolarHBondContact NH1-OE2 2.88Å; R9-E12 PolarHBondContact O-N 3.37Å; R9-L13 WeakPolarHBondContact O-CB 3.31Å; R9-L13 VanDerWaalsContact O-CG 3.27Å; R9-L13 WeakPolarHBondContact O-CG 3.48Å; R9-L13 PolarHBondContact O-N 3.47Å; R9-L70 WeakPolarHBondContact CB-O 3.22Å; R9-L70 WeakPolarHBondContact CG-O 3.43Å; R9-M71 WeakPolarHBondContact CG-O 3.35Å; R9-M71 PolarHBondContact NE-O 2.81Å
10I89.8Confident84.2Confident2 Ų250.9 Ų50.91%0.0126%0.262CS..Hα-helixtrans-63.6-41.6176.2-68.2164000111V6 L7 L8 E12 L13 N14 L41 L70 F89 V91V6-I10 HydrophobicContact CG1-CD1 3.55Å; V6-I10 HydrophobicContact CG1-CG1 4.32Å; V6-I10 VanDerWaalsContact O-CG1 3.26Å; V6-I10 WeakPolarHBondContact O-CG1 3.41Å; V6-I10 PolarHBondContact O-N 3.16Å; L7-I10 PolarHBondContact O-N 3.43Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-I10 PolarHBondContact O-N 3.44Å; I10-E12 VanDerWaalsContact C-N 3.32Å; I10-E12 PolarHBondContact O-N 3.35Å; I10-L13 PolarHBondContact O-N 3.39Å; I10-N14 VanDerWaalsContact O-CG 3.29Å; I10-N14 PolarHBondContact O-N 3.19Å; I10-N14 PolarHBondContact O-OD1 2.89Å; I10-L41 HydrophobicContact CD1-CD2 3.79Å; I10-L70 HydrophobicContact CD1-CD1 4.39Å; I10-L70 HydrophobicContact CG1-CD2 4.06Å; I10-F89 HydrophobicContact CG2-CB 3.65Å; I10-F89 HydrophobicContact CG2-CD2 3.99Å; I10-F89 HydrophobicContact CG2-CG 4.16Å; I10-V91 HydrophobicContact CB-CG2 4.19Å; I10-V91 HydrophobicContact CD1-CG2 3.76Å; I10-V91 HydrophobicContact CG1-CG2 4.49Å; I10-V91 HydrophobicContact CG2-CG2 3.4Å
11R86.6Confident83.4Confident177 Ų17750.9 Ų50.967%0.66826%0.261SS*.Hα-helixtrans-58.6-45.8174.5-70.7174.7-174.1-173.63111.4L7 L8 R9 L13 N14 V15L7-R11 WeakPolarHBondContact O-CG 3.48Å; L7-R11 PolarHBondContact O-N 3Å; L7-R11 VanDerWaalsContact O-N 3.11Å; L8-R11 WeakPolarHBondContact O-CB 3.47Å; L8-R11 PolarHBondContact O-N 3.3Å; R9-R11 VanDerWaalsContact C-N 3.34Å; R9-R11 PolarHBondContact O-N 3.27Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.41Å; R11-N14 PolarHBondContact O-N 3.39Å; R11-V15 WeakPolarHBondContact O-CG2 3.34Å; R11-V15 PolarHBondContact O-N 2.98Å; R11-V15 VanDerWaalsContact O-N 3.12Å
12E83.3Confident83.1Confident29 Ų2949 Ų4914%0.13626%0.258CS..Hα-helixtrans-63.6-39.1177-62.4171.4150.700112.4L8 R9 I10 V15 L16 R279L8-E12 WeakPolarHBondContact O-CG 3.29Å; L8-E12 PolarHBondContact O-N 3.17Å; L8-E12 VanDerWaalsContact O-N 3.14Å; R9-E12 WeakPolarHBondContact CD-OE2 3.39Å; R9-E12 IonicContact CZ-OE2 2.85Å; R9-E12 IonicContact NE-OE2 3.37Å; R9-E12 IonicContact NH1-OE1 2.95Å; R9-E12 PolarHBondContact NH1-OE1 3.45Å; R9-E12 IonicContact NH1-OE2 3.19Å; R9-E12 PolarHBondContact NH1-OE2 2.88Å; R9-E12 PolarHBondContact O-N 3.37Å; I10-E12 VanDerWaalsContact C-N 3.32Å; I10-E12 PolarHBondContact O-N 3.35Å; E12-V15 WeakPolarHBondContact O-CB 3.44Å; E12-V15 PolarHBondContact O-N 3.29Å; E12-L16 WeakPolarHBondContact O-CG 3.22Å; E12-L16 PolarHBondContact O-N 3.45Å; E12-R279 IonicContact OE1-CZ 2.64Å; E12-R279 IonicContact OE1-NH1 3.12Å; E12-R279 IonicContact OE1-NH2 3.32Å; E12-R279 PolarHBondContact OE1-NH2 3.39Å; E12-R279 IonicContact OE2-CZ 3.18Å; E12-R279 VanDerWaalsContact OE2-CZ 3.32Å; E12-R279 IonicContact OE2-NH1 3.68Å; E12-R279 PolarHBondContact OE2-NH1 2.89Å; E12-R279 IonicContact OE2-NH2 2.93Å; E12-R279 PolarHBondContact OE2-NH2 3.34Å; E12-R279 VanDerWaalsContact OE2-NH2 3.12Å
13L86.9Confident82.3Confident0 Ų049.2 Ų49.20%026%0.256CS..Hα-helixtrans-66.7-41.6176.5-77.4171.7000112.2R9 I10 R11 V15 L16 A17 L70 G73 Y74 F75R9-L13 WeakPolarHBondContact O-CB 3.31Å; R9-L13 VanDerWaalsContact O-CG 3.27Å; R9-L13 WeakPolarHBondContact O-CG 3.48Å; R9-L13 PolarHBondContact O-N 3.47Å; I10-L13 PolarHBondContact O-N 3.39Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.41Å; L13-V15 VanDerWaalsContact C-N 3.29Å; L13-V15 PolarHBondContact O-N 3.29Å; L13-L16 HydrophobicContact CD2-CD1 4.44Å; L13-L16 CarbonylContact O-C 3.58Å; L13-L16 WeakPolarHBondContact O-CA 3.18Å; L13-L16 WeakPolarHBondContact O-CB 3.45Å; L13-L16 PolarHBondContact O-N 3.01Å; L13-A17 PolarHBondContact O-N 3.29Å; L13-L70 HydrophobicContact CD1-CD2 3.82Å; L13-G73 WeakPolarHBondContact CD2-O 3.16Å; L13-Y74 WeakPolarHBondContact CD1-O 3.36Å; L13-F75 HydrophobicContact CB-CE1 4.06Å; L13-F75 HydrophobicContact CB-CE2 4.39Å; L13-F75 HydrophobicContact CB-CZ 3.8Å; L13-F75 HydrophobicContact CD2-CD2 3.92Å; L13-F75 HydrophobicContact CD2-CE1 4.44Å; L13-F75 HydrophobicContact CD2-CE2 3.73Å; L13-F75 HydrophobicContact CD2-CG 4.37Å; L13-F75 HydrophobicContact CD2-CZ 3.99Å; L13-F75 HydrophobicContact CG-CZ 4.43Å; L13-F75 WeakPolarHBondContact O-CZ 3.46Å
14N86.9Confident81.7Confident9 Ų952.4 Ų52.45%0.04828%0.278CS..Hα-helixtrans-60.8-43.5176.1-74.33.6000111.5I10 R11 L16 A17 G18 E19 F89I10-N14 VanDerWaalsContact O-CG 3.29Å; I10-N14 PolarHBondContact O-N 3.19Å; I10-N14 PolarHBondContact O-OD1 2.89Å; R11-N14 PolarHBondContact O-N 3.39Å; N14-L16 VanDerWaalsContact C-N 3.29Å; N14-L16 PolarHBondContact O-N 3.41Å; N14-A17 PolarHBondContact O-N 3.03Å; N14-A17 VanDerWaalsContact O-N 3.16Å; N14-G18 PolarHBondContact O-N 3.11Å; N14-E19 HydrophobicContact CB-CB 4.03Å; N14-E19 WeakPolarHBondContact CB-OE2 3.31Å; N14-E19 PolarHBondContact ND2-OE2 3.23Å; N14-E19 VanDerWaalsContact O-CB 3.26Å; N14-E19 WeakPolarHBondContact O-CB 3.38Å; N14-E19 PolarHBondContact O-N 3.33Å; N14-F89 PolarHBondContact ND2-O 3.17Å; N14-F89 PolarHBondContact OD1-N 2.77Å
15V81.7Confident81.2Confident34 Ų3452.4 Ų52.421%0.20628%0.275CS..Hα-helixtrans-54.7-49.9172168.50000108.6R11 E12 L13 A17 G18 K213R11-V15 WeakPolarHBondContact O-CG2 3.34Å; R11-V15 PolarHBondContact O-N 2.98Å; R11-V15 VanDerWaalsContact O-N 3.12Å; E12-V15 WeakPolarHBondContact O-CB 3.44Å; E12-V15 PolarHBondContact O-N 3.29Å; L13-V15 VanDerWaalsContact C-N 3.29Å; L13-V15 PolarHBondContact O-N 3.29Å; V15-A17 PolarHBondContact O-N 3.48Å; V15-G18 PolarHBondContact O-N 3.47Å; V15-G18 VanDerWaalsContact O-N 3.13Å; V15-K213 HydrophobicContact CG1-CD 3.38Å; V15-K213 WeakPolarHBondContact O-CE 3.37Å; V15-K213 PolarHBondContact O-NZ 2.8Å
16L78.4Confident80.6Confident15 Ų1554.1 Ų54.18%0.07930%0.296CS..Hα-helixtrans-61.6-36.5176.6-67.3171.2000115E12 L13 N14 G18 K213 A254 T277 R279E12-L16 WeakPolarHBondContact O-CG 3.22Å; E12-L16 PolarHBondContact O-N 3.45Å; L13-L16 HydrophobicContact CD2-CD1 4.44Å; L13-L16 CarbonylContact O-C 3.58Å; L13-L16 WeakPolarHBondContact O-CA 3.18Å; L13-L16 WeakPolarHBondContact O-CB 3.45Å; L13-L16 PolarHBondContact O-N 3.01Å; N14-L16 VanDerWaalsContact C-N 3.29Å; N14-L16 PolarHBondContact O-N 3.41Å; L16-G18 PolarHBondContact O-N 3.42Å; L16-G18 VanDerWaalsContact O-N 3.17Å; L16-K213 HydrophobicContact CD2-CB 3.96Å; L16-K213 HydrophobicContact CD2-CD 3.8Å; L16-K213 HydrophobicContact CD2-CG 3.78Å; L16-K213 HydrophobicContact CG-CD 4.47Å; L16-A254 HydrophobicContact CD1-CB 4.21Å; L16-T277 HydrophobicContact CD2-CG2 3.85Å; L16-R279 HydrophobicContact CD1-CB 4.14Å; L16-R279 HydrophobicContact CD2-CB 3.73Å; L16-R279 HydrophobicContact CD2-CG 4.29Å
17A79.8Confident80.1Confident5 Ų556.9 Ų56.94%0.04131%0.314CS..Hα-helixtrans-69.1-8.8178.200000113.6L13 N14 V15 K36 F75 V87 P88L13-A17 PolarHBondContact O-N 3.29Å; N14-A17 PolarHBondContact O-N 3.03Å; N14-A17 VanDerWaalsContact O-N 3.16Å; V15-A17 PolarHBondContact O-N 3.48Å; A17-K36 PolarHBondContact O-NZ 3.06Å; A17-F75 HydrophobicContact CB-CZ 3.87Å; A17-V87 VanDerWaalsContact CB-C 3.49Å; A17-P88 HydrophobicContact CB-CG 3.94Å
18G73.3Confident79.7Confident10 Ų1060 Ų6010%0.10335%0.353CS..THydrogen-bonded Turntrans84.439.1-176.700000112.1N14 V15 L16 G20 E21N14-G18 PolarHBondContact O-N 3.11Å; V15-G18 PolarHBondContact O-N 3.47Å; V15-G18 VanDerWaalsContact O-N 3.13Å; L16-G18 PolarHBondContact O-N 3.42Å; L16-G18 VanDerWaalsContact O-N 3.17Å; G18-G20 PolarHBondContact O-N 3.49Å; G18-G20 VanDerWaalsContact O-N 3.14Å; G18-E21 WeakPolarHBondContact O-CB 3.3Å; G18-E21 PolarHBondContact O-N 3.15Å
19E71.3Confident79.5Confident109 Ų10962.7 Ų62.751%0.50937%0.373SS..THydrogen-bonded Turntrans-52.5120.6171-177.7174.5-150.700110.2N14 E21 P88N14-E19 HydrophobicContact CB-CB 4.03Å; N14-E19 WeakPolarHBondContact CB-OE2 3.31Å; N14-E19 PolarHBondContact ND2-OE2 3.23Å; N14-E19 VanDerWaalsContact O-CB 3.26Å; N14-E19 WeakPolarHBondContact O-CB 3.38Å; N14-E19 PolarHBondContact O-N 3.33Å; E19-E21 VanDerWaalsContact C-N 3.33Å; E19-E21 PolarHBondContact O-N 3.37Å; E19-P88 HydrophobicContact CB-CB 4.47Å
20G65.8Low79.4Confident59 Ų5961.4 Ų61.461%0.60838%0.381SS*.THydrogen-bonded Turntrans88-15.1-176.500000115.4G18G18-G20 PolarHBondContact O-N 3.49Å; G18-G20 VanDerWaalsContact O-N 3.14Å
21E67.3Low79.1Confident51 Ų5164.8 Ų64.824%0.23841%0.409CS..  trans-75.5136.9177.4-59.5-176.4-159.600111G18 E19 K211 K213G18-E21 WeakPolarHBondContact O-CB 3.3Å; G18-E21 PolarHBondContact O-N 3.15Å; E19-E21 VanDerWaalsContact C-N 3.33Å; E19-E21 PolarHBondContact O-N 3.37Å; E21-K211 VanDerWaalsContact CD-NZ 3.35Å; E21-K211 IonicContact OE1-NZ 2.7Å; E21-K211 IonicContact OE2-NZ 3.34Å; E21-K211 PolarHBondContact OE2-NZ 2.97Å; E21-K213 IonicContact OE1-NZ 3.64Å; E21-K213 PolarHBondContact OE1-NZ 2.98Å
22S72.3Confident79.1Confident68 Ų6862.9 Ų62.948%0.47641%0.406SS..  trans-104.7131.3173.557.40000110.8A34S22-A34 CarbonylContact C-O 3.54Å; S22-A34 VanDerWaalsContact CA-O 3.26Å; S22-A34 WeakPolarHBondContact CA-O 3.21Å
23F71.9Confident79.1Confident88 Ų8866.9 Ų66.939%0.38643%0.428SS..EExtended strand (participates in β ladder)trans-106.7153.8174.162.9-89.2000111.1Q25 L33 A34 K36F23-Q25 HydrophobicContact CD2-CB 4.37Å; F23-Q25 HydrophobicContact CE2-CB 4.07Å; F23-L33 CarbonylContact O-C 3.53Å; F23-L33 WeakPolarHBondContact O-CA 3.26Å; F23-A34 VanDerWaalsContact CD1-O 3.26Å; F23-A34 WeakPolarHBondContact CD1-O 3.21Å; F23-A34 HydrophobicContact CD2-CB 4.24Å; F23-A34 HydrophobicContact CE1-CB 4.09Å; F23-A34 HydrophobicContact CE2-CB 3.71Å; F23-A34 HydrophobicContact CZ-CB 3.62Å; F23-A34 PolarHBondContact N-O 3.36Å; F23-A34 PolarHBondContact O-N 2.98Å; F23-K36 HydrophobicContact CE1-CG 3.97Å
24V77.9Confident78.7Confident103 Ų10367.7 Ų67.762%0.62443%0.434SS*.EExtended strand (participates in β ladder)trans-83.6116.2175.9-177.70000108.6A31 L33V24-A31 HydrophobicContact CG1-CB 3.68Å; V24-L33 HydrophobicContact CG2-CD2 3.8Å
25Q81.1Confident78.3Confident100 Ų10073.8 Ų73.847%0.46746%0.46SS..EExtended strand (participates in β ladder)trans-102.5118.8173.4-170.7174.234.400109.3F23 T27 A31 K32 A34F23-Q25 HydrophobicContact CD2-CB 4.37Å; F23-Q25 HydrophobicContact CE2-CB 4.07Å; Q25-T27 PolarHBondContact O-N 3.48Å; Q25-A31 CarbonylContact O-C 3.59Å; Q25-A31 WeakPolarHBondContact O-CA 3.39Å; Q25-K32 PolarHBondContact N-O 3.42Å; Q25-K32 PolarHBondContact O-N 2.68Å; Q25-A34 HydrophobicContact CB-CB 4.11Å
26A77.4Confident78.2Confident90 Ų9075.5 Ų75.574%0.74447%0.465SS*.EExtended strand (participates in β ladder)trans-67.112417300000109.5
27T82.9Confident78.5Confident59 Ų5981.4 Ų81.436%0.36250%0.496SS..EExtended strand (participates in β ladder)trans-106.4157.4171.355.80000108.6Q25 T29 G30 K32Q25-T27 PolarHBondContact O-N 3.48Å; T27-T29 PolarHBondContact O-N 3.49Å; T27-G30 PolarHBondContact N-O 2.72Å; T27-G30 PolarHBondContact O-N 2.91Å; T27-G30 PolarHBondContact OG1-N 3.48Å; T27-G30 PolarHBondContact OG1-O 3.46Å; T27-K32 HydrophobicContact CG2-CB 4.2Å
28G81.6Confident78.9Confident95 Ų9584 Ų8498%0.97951%0.513SS*.THydrogen-bonded Turntrans-57.2-13.3-178.700000115.1
29T84.4Confident79.7Confident145 Ų14583.8 Ų83.889%0.8951%0.509SS*.THydrogen-bonded Turntrans-118.65.7178.650.50000114T27T27-T29 PolarHBondContact O-N 3.49Å
30G86.5Confident80.8Confident42 Ų4280.7 Ų80.743%0.43350%0.495SS..EExtended strand (participates in β ladder)trans159.6-140.4-179.700000114T27T27-G30 PolarHBondContact N-O 2.72Å; T27-G30 PolarHBondContact O-N 2.91Å; T27-G30 PolarHBondContact OG1-N 3.48Å; T27-G30 PolarHBondContact OG1-O 3.46Å
31A84.6Confident82.1Confident72 Ų7277.9 Ų77.960%0.59547%0.466SS*.EExtended strand (participates in β ladder)trans-135.8136.5178.900000109.6V24 Q25V24-A31 HydrophobicContact CG1-CB 3.68Å; Q25-A31 CarbonylContact O-C 3.59Å; Q25-A31 WeakPolarHBondContact O-CA 3.39Å
32K85.6Confident83.4Confident137 Ų13778.5 Ų78.560%0.59647%0.466SS*.EExtended strand (participates in β ladder)trans-121.9137.7178.6-175.7-179.1175.4-173.80109.8Q25 T27 A34Q25-K32 PolarHBondContact N-O 3.42Å; Q25-K32 PolarHBondContact O-N 2.68Å; T27-K32 HydrophobicContact CG2-CB 4.2Å; K32-A34 PolarHBondContact O-N 2.82Å
33L83.7Confident84.5Confident114 Ų11475.3 Ų75.360%0.59744%0.444SS*.EExtended strand (participates in β ladder)trans-72.1120.7166.7-66.2177.4000109.4F23 V24F23-L33 CarbonylContact O-C 3.53Å; F23-L33 WeakPolarHBondContact O-CA 3.26Å; V24-L33 HydrophobicContact CG2-CD2 3.8Å
34A77.4Confident85.5Confident16 Ų1672.7 Ų72.713%0.13243%0.432CS..EExtended strand (participates in β ladder)trans-120153.8179.300000110.3S22 F23 Q25 K32S22-A34 CarbonylContact C-O 3.54Å; S22-A34 VanDerWaalsContact CA-O 3.26Å; S22-A34 WeakPolarHBondContact CA-O 3.21Å; F23-A34 VanDerWaalsContact CD1-O 3.26Å; F23-A34 WeakPolarHBondContact CD1-O 3.21Å; F23-A34 HydrophobicContact CD2-CB 4.24Å; F23-A34 HydrophobicContact CE1-CB 4.09Å; F23-A34 HydrophobicContact CE2-CB 3.71Å; F23-A34 HydrophobicContact CZ-CB 3.62Å; F23-A34 PolarHBondContact N-O 3.36Å; F23-A34 PolarHBondContact O-N 2.98Å; Q25-A34 HydrophobicContact CB-CB 4.11Å; K32-A34 PolarHBondContact O-N 2.82Å
35K80.4Confident86.1Confident137 Ų13775.3 Ų75.360%0.59643%0.43SS*.  trans-115154.9171.9-66.9-174175.8-174.60108.3
36K79.1Confident86.5Confident70 Ų7072.8 Ų72.830%0.30442%0.42SS..PPolyproline II helixtrans-72.5129.4172.9-69.8-175.3178.4174.60108.9A17 F23 D85 G86 P88A17-K36 PolarHBondContact O-NZ 3.06Å; F23-K36 HydrophobicContact CE1-CG 3.97Å; K36-D85 PolarHBondContact NZ-O 2.77Å; K36-G86 PolarHBondContact NZ-O 3.3Å; K36-P88 HydrophobicContact CB-CG 4.26Å
37D83.6Confident87.3Confident139 Ų13968.5 Ų68.574%0.74338%0.384SS*.PPolyproline II helixtrans-71.2125.4176.6-65.4-39.4000109.9
38P88.7Confident87.8Confident60 Ų6065.7 Ų65.739%0.3937%0.367SS..PPolyproline II helixtrans-73.5145.5-177.229.3-34.3000112.2P88 E90P38-P88 CarbonylContact C-O 3.54Å; P38-P88 VanDerWaalsContact CA-O 3.28Å; P38-P88 WeakPolarHBondContact CA-O 3.33Å; P38-P88 HydrophobicContact CB-CB 4.26Å; P38-E90 HydrophobicContact CB-CB 4.16Å; P38-E90 HydrophobicContact CG-CB 4.47Å
39I90.6Very high88.3Confident5 Ų561.5 Ų61.53%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-82.6124.4173.4-64.3178.4000109.7L41 M50 F51 L79 F83 V87 P88 F89 E90I39-L41 PolarHBondContact O-N 3.15Å; I39-M50 HydrophobicContact CG2-CG 3.75Å; I39-F51 HydrophobicContact CB-CD1 4.48Å; I39-F51 HydrophobicContact CB-CE1 4.22Å; I39-F51 HydrophobicContact CD1-CE1 3.54Å; I39-F51 HydrophobicContact CD1-CE2 4.33Å; I39-F51 HydrophobicContact CD1-CZ 3.4Å; I39-F51 HydrophobicContact CG1-CD1 4.15Å; I39-F51 HydrophobicContact CG1-CE1 3.48Å; I39-F51 VanDerWaalsContact CG1-CE1 3.48Å; I39-F51 HydrophobicContact CG1-CZ 3.89Å; I39-F51 HydrophobicContact CG2-CD1 3.85Å; I39-F51 HydrophobicContact CG2-CD2 4.21Å; I39-F51 HydrophobicContact CG2-CE1 3.82Å; I39-F51 HydrophobicContact CG2-CE2 4.14Å; I39-F51 HydrophobicContact CG2-CG 4.06Å; I39-F51 HydrophobicContact CG2-CZ 3.96Å; I39-L79 HydrophobicContact CD1-CD1 3.87Å; I39-L79 HydrophobicContact CD1-CD2 3.83Å; I39-L79 HydrophobicContact CD1-CG 4.47Å; I39-F83 HydrophobicContact CD1-CD2 4.13Å; I39-F83 HydrophobicContact CD1-CE2 3.78Å; I39-F83 HydrophobicContact CD1-CZ 4.31Å; I39-V87 HydrophobicContact CD1-CB 4.21Å; I39-V87 HydrophobicContact CD1-CG1 3.33Å; I39-V87 HydrophobicContact CD1-CG2 3.86Å; I39-V87 HydrophobicContact CG1-CG1 4.12Å; I39-V87 HydrophobicContact CG1-CG2 3.72Å; I39-P88 PolarHBondContact N-O 3.07Å; I39-F89 HydrophobicContact CB-CD1 3.91Å; I39-F89 HydrophobicContact CB-CE1 4.25Å; I39-F89 HydrophobicContact CD1-CE1 4.44Å; I39-F89 HydrophobicContact CG2-CD1 4.07Å; I39-F89 HydrophobicContact CG2-CE1 4.19Å; I39-F89 CarbonylContact O-C 3.29Å; I39-F89 WeakPolarHBondContact O-CA 3.43Å; I39-E90 PolarHBondContact O-N 3.16Å
40Q93.4Very high88.7Confident44 Ų4455.2 Ų55.221%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-66.5122.1171.5-58.3-59.1-38.200110.3M50 F51 E90 H92Q40-M50 CarbonylContact O-C 3.53Å; Q40-M50 WeakPolarHBondContact O-CA 3.46Å; Q40-F51 PolarHBondContact O-N 2.92Å; Q40-E90 PolarHBondContact NE2-OE2 2.86Å; Q40-H92 PolarHBondContact OE1-CE1 3.23Å
41L94.3Very high88.7Confident0 Ų056.2 Ų56.20%028%0.276CS..EExtended strand (participates in β ladder)trans-126.9112.7174.1179.961.8000109.6I10 I39 L43 I48 M50 L70 F89 E90 V91 H92I10-L41 HydrophobicContact CD1-CD2 3.79Å; I39-L41 PolarHBondContact O-N 3.15Å; L41-L43 HydrophobicContact CD1-CD2 4.3Å; L41-L43 HydrophobicContact CD2-CD2 4.14Å; L41-L43 HydrophobicContact CG-CD2 4Å; L41-I48 HydrophobicContact CD1-CB 4.22Å; L41-I48 HydrophobicContact CD1-CD1 4.3Å; L41-M50 HydrophobicContact CD1-CB 4.23Å; L41-M50 HydrophobicContact CD1-CE 4.04Å; L41-M50 HydrophobicContact CD1-CG 4.33Å; L41-L70 HydrophobicContact CD2-CD1 4.19Å; L41-F89 HydrophobicContact CB-CD1 4.21Å; L41-F89 HydrophobicContact CD2-CD1 4.3Å; L41-E90 PolarHBondContact N-O 3.1Å; L41-V91 CarbonylContact O-C 3.52Å; L41-V91 VanDerWaalsContact O-CA 3.3Å; L41-V91 WeakPolarHBondContact O-CA 3.13Å; L41-H92 PolarHBondContact O-N 3.39Å
42R94.3Very high88.5Confident65 Ų6559.2 Ų59.225%0.24528%0.282CS..EExtended strand (participates in β ladder)trans-102.4119.5177.4-48.7-177.6-178.797.2-1108.7Y44 I48 V49 F51 D52 H92R42-Y44 HydrophobicContact CB-CD2 4.45Å; R42-Y44 HydrophobicContact CB-CE2 3.72Å; R42-I48 CarbonylContact O-C 3.52Å; R42-I48 VanDerWaalsContact O-CA 3.29Å; R42-I48 WeakPolarHBondContact O-CA 3.48Å; R42-V49 HydrophobicContact CB-CB 4.24Å; R42-V49 PolarHBondContact N-O 2.76Å; R42-V49 PolarHBondContact O-N 3.34Å; R42-F51 PolarHBondContact NH1-O 3.19Å; R42-D52 IonicContact CZ-OD1 3.49Å; R42-D52 IonicContact NH1-OD1 3.64Å; R42-D52 IonicContact NH2-OD1 3.79Å; R42-D52 PolarHBondContact NH2-OD1 3Å; R42-H92 WeakPolarHBondContact CA-O 3.44Å; R42-H92 HydrophobicContact CB-CB 4.32Å; R42-H92 HydrophobicContact CG-CB 4.03Å
43L94.3Very high88.5Confident0 Ų054.3 Ų54.30%027%0.27CS..EExtended strand (participates in β ladder)trans-98.6117.9179.7-59.8-179.3000109.2V6 L7 L41 I48 M67 V91 H92 R94 R95V6-L43 HydrophobicContact CG1-CD1 4.08Å; L7-L43 HydrophobicContact CD2-CD1 4.01Å; L41-L43 HydrophobicContact CD1-CD2 4.3Å; L41-L43 HydrophobicContact CD2-CD2 4.14Å; L41-L43 HydrophobicContact CG-CD2 4Å; L43-I48 HydrophobicContact CD2-CB 4.5Å; L43-I48 HydrophobicContact CD2-CG2 3.52Å; L43-M67 HydrophobicContact CD2-CE 3.73Å; L43-M67 HydrophobicContact CD2-SD 4.4Å; L43-V91 HydrophobicContact CD1-CG1 3.86Å; L43-V91 HydrophobicContact CG-CG1 4.06Å; L43-H92 PolarHBondContact N-O 3.14Å; L43-R94 CarbonylContact O-C 3.57Å; L43-R94 WeakPolarHBondContact O-CA 3.42Å; L43-R94 VanDerWaalsContact O-CB 3.24Å; L43-R94 WeakPolarHBondContact O-CB 3.47Å; L43-R94 PolarHBondContact O-N 3.29Å; L43-R95 PolarHBondContact O-N 3.27Å
44Y94Very high88.7Confident34 Ų3454 Ų5413%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-108.7169.2175.1-65.6-85.3000110.5R42 N46 G47 V49 F55 Y58 R94 D97 F99R42-Y44 HydrophobicContact CB-CD2 4.45Å; R42-Y44 HydrophobicContact CB-CE2 3.72Å; Y44-N46 VanDerWaalsContact C-N 3.26Å; Y44-N46 PolarHBondContact O-N 2.94Å; Y44-G47 CarbonylContact C-O 3.59Å; Y44-G47 WeakPolarHBondContact CA-O 3.26Å; Y44-G47 WeakPolarHBondContact CB-O 3.41Å; Y44-G47 PolarHBondContact N-O 2.95Å; Y44-V49 HydrophobicContact CD2-CG2 4.45Å; Y44-V49 HydrophobicContact CE2-CB 4.45Å; Y44-V49 HydrophobicContact CE2-CG2 3.89Å; Y44-F55 HydrophobicContact CD2-CE2 4.32Å; Y44-Y58 VanDerWaalsContact O-CE2 3.25Å; Y44-Y58 WeakPolarHBondContact O-CE2 3.43Å; Y44-Y58 PolarHBondContact O-OH 2.76Å; Y44-R94 HydrophobicContact CD1-CB 3.76Å; Y44-R94 HydrophobicContact CE1-CB 3.79Å; Y44-R94 HydrophobicContact CE1-CG 4.18Å; Y44-R94 HydrophobicContact CG-CB 4.44Å; Y44-D97 HydrophobicContact CD1-CB 4.24Å; Y44-F99 HydrophobicContact CD1-CB 3.98Å; Y44-F99 HydrophobicContact CD1-CD2 4.44Å; Y44-F99 HydrophobicContact CD2-CB 4.02Å; Y44-F99 HydrophobicContact CD2-CD2 4.16Å; Y44-F99 HydrophobicContact CD2-CG 4.45Å; Y44-F99 HydrophobicContact CE1-CB 4.34Å; Y44-F99 AromaticContact CE1-CD2 3.97Å; Y44-F99 HydrophobicContact CE1-CD2 3.97Å; Y44-F99 HydrophobicContact CE2-CB 4.36Å; Y44-F99 AromaticContact CE2-CD2 3.65Å; Y44-F99 HydrophobicContact CE2-CD2 3.65Å; Y44-F99 HydrophobicContact CE2-CE2 4.39Å; Y44-F99 HydrophobicContact CE2-CG 4.36Å; Y44-F99 HydrophobicContact CG-CB 3.81Å; Y44-F99 AromaticContact CZ-CD2 3.55Å
45R90.7Very high89.4Confident158 Ų15855.6 Ų55.660%0.59628%0.279SS*.SBendtrans-59.4-38.3174.7-166.6176.8173179.6-2.8113.1Y58 R95 D97 E98R45-Y58 WeakPolarHBondContact O-CE2 3.32Å; R45-R95 VanDerWaalsContact CB-O 3.25Å; R45-R95 WeakPolarHBondContact CB-O 3.43Å; R45-D97 WeakPolarHBondContact CB-O 3.28Å; R45-D97 PolarHBondContact N-O 3.39Å; R45-E98 HydrophobicContact CB-CG 3.97Å; R45-E98 HydrophobicContact CG-CG 4.47Å; R45-E98 IonicContact NH1-OE1 2.8Å
46N90.1Very high90Very high46 Ų4650.7 Ų50.725%0.24626%0.257CS..SBendtrans-102.3-6.3-17262.5-28.2000114.1Y44 F55 Y58 F99Y44-N46 VanDerWaalsContact C-N 3.26Å; Y44-N46 PolarHBondContact O-N 2.94Å; N46-F55 HydrophobicContact CB-CZ 4.27Å; N46-F55 VanDerWaalsContact CG-CZ 3.44Å; N46-F55 WeakPolarHBondContact ND2-CZ 3.25Å; N46-F55 WeakPolarHBondContact OD1-CZ 3.42Å; N46-Y58 PolarHBondContact O-N 2.52Å; N46-F99 PolarHBondContact ND2-O 2.76Å; N46-F99 PolarHBondContact OD1-N 3.37Å
47G92.8Very high90.6Very high0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans171.1-162.9-177.400000114Y44 R56 Y58Y44-G47 CarbonylContact C-O 3.59Å; Y44-G47 WeakPolarHBondContact CA-O 3.26Å; Y44-G47 WeakPolarHBondContact CB-O 3.41Å; Y44-G47 PolarHBondContact N-O 2.95Å; G47-R56 CarbonylContact C-O 3.43Å; G47-R56 WeakPolarHBondContact CA-O 3.42Å; G47-Y58 VanDerWaalsContact N-CD2 3.33Å; G47-Y58 PolarHBondContact O-OH 2.76Å
48I94.2Very high91Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-131.3156.7-179.365.1178.7000112L41 R42 L43 R56 Y58 T63 M67L41-I48 HydrophobicContact CD1-CB 4.22Å; L41-I48 HydrophobicContact CD1-CD1 4.3Å; R42-I48 CarbonylContact O-C 3.52Å; R42-I48 VanDerWaalsContact O-CA 3.29Å; R42-I48 WeakPolarHBondContact O-CA 3.48Å; L43-I48 HydrophobicContact CD2-CB 4.5Å; L43-I48 HydrophobicContact CD2-CG2 3.52Å; I48-R56 HydrophobicContact CG1-CB 3.94Å; I48-R56 PolarHBondContact N-O 2.99Å; I48-R56 PolarHBondContact O-N 3.4Å; I48-Y58 HydrophobicContact CG2-CE1 3.63Å; I48-Y58 WeakPolarHBondContact CG2-OH 3.47Å; I48-T63 HydrophobicContact CD1-CG2 3.98Å; I48-T63 HydrophobicContact CG1-CG2 3.94Å; I48-M67 HydrophobicContact CD1-CG 4.39Å; I48-M67 HydrophobicContact CD1-SD 3.86Å; I48-M67 HydrophobicContact CG2-CE 4.19Å; I48-M67 HydrophobicContact CG2-SD 3.8Å
49V92.6Very high91.1Very high7 Ų749.3 Ų49.34%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-121.9124162.7177.40000107.2R42 Y44 F55 F99R42-V49 HydrophobicContact CB-CB 4.24Å; R42-V49 PolarHBondContact N-O 2.76Å; R42-V49 PolarHBondContact O-N 3.34Å; Y44-V49 HydrophobicContact CD2-CG2 4.45Å; Y44-V49 HydrophobicContact CE2-CB 4.45Å; Y44-V49 HydrophobicContact CE2-CG2 3.89Å; V49-F55 HydrophobicContact CG2-CB 4.25Å; V49-F55 HydrophobicContact CG2-CD2 4.03Å; V49-F99 HydrophobicContact CG2-CD2 4.44Å; V49-F99 HydrophobicContact CG2-CE2 4.24Å
50M91Very high91.3Very high13 Ų1353.5 Ų53.56%0.06426%0.264CS..EExtended strand (participates in β ladder)trans-112.7139.4177.8-166-178.2-7700109.6I39 Q40 L41 D52 G53 L79 F89I39-M50 HydrophobicContact CG2-CG 3.75Å; Q40-M50 CarbonylContact O-C 3.53Å; Q40-M50 WeakPolarHBondContact O-CA 3.46Å; L41-M50 HydrophobicContact CD1-CB 4.23Å; L41-M50 HydrophobicContact CD1-CE 4.04Å; L41-M50 HydrophobicContact CD1-CG 4.33Å; M50-D52 PolarHBondContact O-N 2.81Å; M50-G53 PolarHBondContact O-N 2.83Å; M50-L79 HydrophobicContact SD-CD1 4.26Å; M50-L79 HydrophobicContact SD-CD2 3.95Å; M50-L79 HydrophobicContact SD-CG 4.36Å; M50-F89 HydrophobicContact CE-CE1 4.39Å
51F87.1Confident91.2Very high64 Ų6458.8 Ų58.828%0.28129%0.288SS..THydrogen-bonded Turntrans54.5-130.3-166.5-50.5-92.8000110.3I39 Q40 R42 L79 F83I39-F51 HydrophobicContact CB-CD1 4.48Å; I39-F51 HydrophobicContact CB-CE1 4.22Å; I39-F51 HydrophobicContact CD1-CE1 3.54Å; I39-F51 HydrophobicContact CD1-CE2 4.33Å; I39-F51 HydrophobicContact CD1-CZ 3.4Å; I39-F51 HydrophobicContact CG1-CD1 4.15Å; I39-F51 HydrophobicContact CG1-CE1 3.48Å; I39-F51 VanDerWaalsContact CG1-CE1 3.48Å; I39-F51 HydrophobicContact CG1-CZ 3.89Å; I39-F51 HydrophobicContact CG2-CD1 3.85Å; I39-F51 HydrophobicContact CG2-CD2 4.21Å; I39-F51 HydrophobicContact CG2-CE1 3.82Å; I39-F51 HydrophobicContact CG2-CE2 4.14Å; I39-F51 HydrophobicContact CG2-CG 4.06Å; I39-F51 HydrophobicContact CG2-CZ 3.96Å; Q40-F51 PolarHBondContact O-N 2.92Å; R42-F51 PolarHBondContact NH1-O 3.19Å; F51-L79 HydrophobicContact CE2-CD2 3.74Å; F51-L79 HydrophobicContact CZ-CD2 3.6Å; F51-F83 HydrophobicContact CE1-CE2 4.13Å; F51-F83 HydrophobicContact CE1-CZ 4.36Å; F51-F83 AromaticContact CZ-CE2 4Å; F51-F83 HydrophobicContact CZ-CE2 4Å
52D81.8Confident91.1Very high135 Ų13560.7 Ų60.772%0.72230%0.302SS*.THydrogen-bonded Turntrans-114.636.7166.2-60.1-55.5000110.3R42 M50R42-D52 IonicContact CZ-OD1 3.49Å; R42-D52 IonicContact NH1-OD1 3.64Å; R42-D52 IonicContact NH2-OD1 3.79Å; R42-D52 PolarHBondContact NH2-OD1 3Å; M50-D52 PolarHBondContact O-N 2.81Å
53G84.2Confident91Very high34 Ų3457.6 Ų57.635%0.35129%0.29SS..  trans-82.4-176.9179.400000114.2M50M50-G53 PolarHBondContact O-N 2.83Å
54P89.3Confident91Very high108 Ų10862 Ų6270%0.70131%0.31SS*.  trans-66.3157.7176.829.4-35.1000111.9
55F91.3Very high90.9Very high48 Ų4865.2 Ų65.221%0.21133%0.327CS..EExtended strand (participates in β ladder)trans-66.7132.9170.3174.5-100.9000111.2Y44 N46 V49 F99Y44-F55 HydrophobicContact CD2-CE2 4.32Å; N46-F55 HydrophobicContact CB-CZ 4.27Å; N46-F55 VanDerWaalsContact CG-CZ 3.44Å; N46-F55 WeakPolarHBondContact ND2-CZ 3.25Å; N46-F55 WeakPolarHBondContact OD1-CZ 3.42Å; V49-F55 HydrophobicContact CG2-CB 4.25Å; V49-F55 HydrophobicContact CG2-CD2 4.03Å; F55-F99 HydrophobicContact CB-CD1 3.53Å; F55-F99 HydrophobicContact CB-CE1 3.42Å; F55-F99 VanDerWaalsContact CB-CE1 3.42Å; F55-F99 HydrophobicContact CB-CG 4.33Å; F55-F99 HydrophobicContact CB-CZ 4.15Å; F55-F99 AromaticContact CD1-CD1 3.92Å; F55-F99 HydrophobicContact CD1-CD1 3.92Å; F55-F99 HydrophobicContact CD2-CB 3.51Å; F55-F99 AromaticContact CD2-CD1 3.36Å; F55-F99 HydrophobicContact CD2-CD1 3.36Å; F55-F99 HydrophobicContact CD2-CD2 4.19Å; F55-F99 HydrophobicContact CD2-CE1 4.11Å; F55-F99 AromaticContact CD2-CG 3.4Å; F55-F99 HydrophobicContact CD2-CG 3.4Å; F55-F99 VanDerWaalsContact CD2-CG 3.4Å; F55-F99 HydrophobicContact CE2-CB 3.33Å; F55-F99 HydrophobicContact CE2-CD1 4.03Å; F55-F99 AromaticContact CE2-CG 3.82Å; F55-F99 HydrophobicContact CE2-CG 3.82Å; F55-F99 HydrophobicContact CG-CB 4.25Å; F55-F99 AromaticContact CG-CD1 3.29Å; F55-F99 HydrophobicContact CG-CD1 3.29Å; F55-F99 AromaticContact CG-CE1 3.79Å; F55-F99 HydrophobicContact CG-CE1 3.79Å; F55-F99 AromaticContact CG-CG 3.88Å; F55-F99 HydrophobicContact CG-CG 3.88Å; F55-F99 HydrophobicContact CZ-CB 3.94Å
56R92.1Very high90.9Very high35 Ų3557.7 Ų57.713%0.13230%0.298CS..EExtended strand (participates in β ladder)trans-116112.9-178.5-68.8-178.864.6-173.910.8110.1G47 I48 S62 T63 E78G47-R56 CarbonylContact C-O 3.43Å; G47-R56 WeakPolarHBondContact CA-O 3.42Å; I48-R56 HydrophobicContact CG1-CB 3.94Å; I48-R56 PolarHBondContact N-O 2.99Å; I48-R56 PolarHBondContact O-N 3.4Å; R56-S62 PolarHBondContact NH2-O 3.34Å; R56-S62 PolarHBondContact NH2-OG 2.65Å; R56-T63 HydrophobicContact CB-CG2 4.07Å; R56-T63 WeakPolarHBondContact CB-OG1 3.45Å; R56-T63 PolarHBondContact NE-OG1 3.4Å; R56-T63 VanDerWaalsContact NH2-CA 3.32Å; R56-T63 VanDerWaalsContact NH2-N 3.17Å; R56-T63 PolarHBondContact NH2-OG1 2.82Å; R56-E78 IonicContact CZ-OE1 3.63Å; R56-E78 IonicContact CZ-OE2 2.83Å; R56-E78 IonicContact NH1-OE1 3.59Å; R56-E78 PolarHBondContact NH1-OE1 2.73Å; R56-E78 IonicContact NH1-OE2 3.36Å; R56-E78 PolarHBondContact NH1-OE2 3.2Å; R56-E78 IonicContact NH2-OE1 3.53Å; R56-E78 PolarHBondContact NH2-OE1 2.7Å; R56-E78 IonicContact NH2-OE2 4Å
57S92.1Very high91.1Very high34 Ų3455.5 Ų55.524%0.23829%0.287CS..EExtended strand (participates in β ladder)trans-71.1146.1179.6174.80000111.6Q59 E60 T63S57-Q59 PolarHBondContact O-N 3.45Å; S57-Q59 VanDerWaalsContact O-N 3.17Å; S57-Q59 WeakPolarHBondContact OG-CB 3.43Å; S57-Q59 PolarHBondContact OG-N 3.35Å; S57-Q59 VanDerWaalsContact OG-N 3.11Å; S57-E60 WeakPolarHBondContact O-CB 3.44Å; S57-E60 PolarHBondContact O-N 2.84Å; S57-E60 VanDerWaalsContact O-N 3.13Å; S57-T63 VanDerWaalsContact O-CB 3.27Å; S57-T63 WeakPolarHBondContact O-CB 3.35Å; S57-T63 WeakPolarHBondContact O-CG2 3.11Å; S57-T63 PolarHBondContact O-OG1 2.92Å
58Y92.6Very high91.1Very high34 Ų3459.3 Ų59.313%0.13330%0.304CS..THydrogen-bonded Turntrans-66.8-8.2170.1-65.1-44.6000114.2M1 F3 Y44 R45 N46 G47 I48 E60 T63 Q64 M67M1-Y58 HydrophobicContact CE-CD1 4.35Å; M1-Y58 HydrophobicContact CE-CE1 3.88Å; M1-Y58 HydrophobicContact SD-CD1 3.81Å; M1-Y58 HydrophobicContact SD-CD2 4.23Å; M1-Y58 HydrophobicContact SD-CE1 3.59Å; M1-Y58 VanDerWaalsContact SD-CE1 3.59Å; M1-Y58 HydrophobicContact SD-CE2 4.02Å; M1-Y58 HydrophobicContact SD-CG 4.15Å; F3-Y58 HydrophobicContact CE1-CE2 4.25Å; F3-Y58 WeakPolarHBondContact CE1-OH 3.49Å; F3-Y58 AromaticContact CZ-CE2 3.95Å; F3-Y58 HydrophobicContact CZ-CE2 3.95Å; Y44-Y58 VanDerWaalsContact O-CE2 3.25Å; Y44-Y58 WeakPolarHBondContact O-CE2 3.43Å; Y44-Y58 PolarHBondContact O-OH 2.76Å; R45-Y58 WeakPolarHBondContact O-CE2 3.32Å; N46-Y58 PolarHBondContact O-N 2.52Å; G47-Y58 VanDerWaalsContact N-CD2 3.33Å; G47-Y58 PolarHBondContact O-OH 2.76Å; I48-Y58 HydrophobicContact CG2-CE1 3.63Å; I48-Y58 WeakPolarHBondContact CG2-OH 3.47Å; Y58-E60 VanDerWaalsContact C-N 3.31Å; Y58-T63 HydrophobicContact CD1-CG2 4Å; Y58-T63 HydrophobicContact CE1-CG2 4.44Å; Y58-Q64 VanDerWaalsContact O-CG 3.25Å; Y58-Q64 WeakPolarHBondContact O-CG 3.49Å; Y58-Q64 PolarHBondContact O-NE2 2.83Å; Y58-M67 HydrophobicContact CE1-CE 4.34Å; Y58-M67 HydrophobicContact CE1-CG 4.08Å; Y58-M67 HydrophobicContact CE1-SD 4.49Å
59Q91.3Very high91Very high171 Ų17159.4 Ų59.480%0.79931%0.305SS*.THydrogen-bonded Turntrans-76.5-20.9172.5-63.8173-9.600112.4S57S57-Q59 PolarHBondContact O-N 3.45Å; S57-Q59 VanDerWaalsContact O-N 3.17Å; S57-Q59 WeakPolarHBondContact OG-CB 3.43Å; S57-Q59 PolarHBondContact OG-N 3.35Å; S57-Q59 VanDerWaalsContact OG-N 3.11Å
60E93.1Very high90.9Very high93 Ų9359.1 Ų59.144%0.43530%0.303SS..SBendtrans-80.2132.8-179.4-168.5-170.5160.800111.1S57 Y58 S62 T63 Q64S57-E60 WeakPolarHBondContact O-CB 3.44Å; S57-E60 PolarHBondContact O-N 2.84Å; S57-E60 VanDerWaalsContact O-N 3.13Å; Y58-E60 VanDerWaalsContact C-N 3.31Å; E60-S62 VanDerWaalsContact C-N 3.32Å; E60-S62 PolarHBondContact O-N 3.2Å; E60-S62 PolarHBondContact OE1-OG 3.42Å; E60-T63 WeakPolarHBondContact O-CB 3.44Å; E60-T63 PolarHBondContact O-N 2.89Å; E60-T63 VanDerWaalsContact O-N 3.15Å; E60-T63 PolarHBondContact OE2-OG1 2.89Å; E60-Q64 WeakPolarHBondContact O-CG 3.26Å; E60-Q64 PolarHBondContact O-N 3.09Å
61H93.1Very high90.9Very high155 Ų15560 Ų6072%0.71831%0.308SS*.Hα-helixtrans-60.2-37.4-179.5-76.9-58.9000113.7T63 Q64 Q65H61-T63 VanDerWaalsContact C-N 3.28Å; H61-T63 PolarHBondContact O-N 3.31Å; H61-Q64 PolarHBondContact ND1-OE1 3.35Å; H61-Q64 PolarHBondContact O-N 2.79Å; H61-Q65 PolarHBondContact O-N 3.43Å
62S91.1Very high90.9Very high41 Ų4160.8 Ų60.829%0.28732%0.315SS..Hα-helixtrans-59.5-43.3177.174.50000110.8R56 E60 Q65 C66R56-S62 PolarHBondContact NH2-O 3.34Å; R56-S62 PolarHBondContact NH2-OG 2.65Å; E60-S62 VanDerWaalsContact C-N 3.32Å; E60-S62 PolarHBondContact O-N 3.2Å; E60-S62 PolarHBondContact OE1-OG 3.42Å; S62-Q65 PolarHBondContact O-N 3.33Å; S62-C66 WeakPolarHBondContact O-CB 3.36Å; S62-C66 PolarHBondContact O-N 2.87Å
63T93.1Very high91Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-69.3-39.1-178.8-51.10000111.3I48 R56 S57 Y58 E60 H61 Q65 C66 M67I48-T63 HydrophobicContact CD1-CG2 3.98Å; I48-T63 HydrophobicContact CG1-CG2 3.94Å; R56-T63 HydrophobicContact CB-CG2 4.07Å; R56-T63 WeakPolarHBondContact CB-OG1 3.45Å; R56-T63 PolarHBondContact NE-OG1 3.4Å; R56-T63 VanDerWaalsContact NH2-CA 3.32Å; R56-T63 VanDerWaalsContact NH2-N 3.17Å; R56-T63 PolarHBondContact NH2-OG1 2.82Å; S57-T63 VanDerWaalsContact O-CB 3.27Å; S57-T63 WeakPolarHBondContact O-CB 3.35Å; S57-T63 WeakPolarHBondContact O-CG2 3.11Å; S57-T63 PolarHBondContact O-OG1 2.92Å; Y58-T63 HydrophobicContact CD1-CG2 4Å; Y58-T63 HydrophobicContact CE1-CG2 4.44Å; E60-T63 WeakPolarHBondContact O-CB 3.44Å; E60-T63 PolarHBondContact O-N 2.89Å; E60-T63 VanDerWaalsContact O-N 3.15Å; E60-T63 PolarHBondContact OE2-OG1 2.89Å; H61-T63 VanDerWaalsContact C-N 3.28Å; H61-T63 PolarHBondContact O-N 3.31Å; T63-Q65 VanDerWaalsContact C-N 3.35Å; T63-C66 WeakPolarHBondContact O-CB 3.38Å; T63-C66 PolarHBondContact O-N 2.82Å; T63-M67 WeakPolarHBondContact O-CB 3.29Å; T63-M67 WeakPolarHBondContact O-CG 3.48Å; T63-M67 PolarHBondContact O-N 3.15Å
64Q93Very high91.1Very high92 Ų9255.4 Ų55.443%0.4328%0.277SS..Hα-helixtrans-61.5-44.6173.9-68.7175.2-12.900111.3Y58 E60 H61 M67 Q68Y58-Q64 VanDerWaalsContact O-CG 3.25Å; Y58-Q64 WeakPolarHBondContact O-CG 3.49Å; Y58-Q64 PolarHBondContact O-NE2 2.83Å; E60-Q64 WeakPolarHBondContact O-CG 3.26Å; E60-Q64 PolarHBondContact O-N 3.09Å; H61-Q64 PolarHBondContact ND1-OE1 3.35Å; H61-Q64 PolarHBondContact O-N 2.79Å; Q64-M67 PolarHBondContact O-N 2.51Å; Q64-Q68 WeakPolarHBondContact O-CB 3.4Å; Q64-Q68 PolarHBondContact O-N 3.05Å
65Q92Very high91.1Very high101 Ų10150.8 Ų50.847%0.47225%0.246SC..Hα-helixtrans-64.2-44.4177.1-171.960.845.300111.8H61 S62 T63 M67 Q68 D69H61-Q65 PolarHBondContact O-N 3.43Å; S62-Q65 PolarHBondContact O-N 3.33Å; T63-Q65 VanDerWaalsContact C-N 3.35Å; Q65-M67 VanDerWaalsContact C-N 3.28Å; Q65-M67 PolarHBondContact O-N 2.72Å; Q65-Q68 PolarHBondContact O-N 2.7Å; Q65-D69 PolarHBondContact NE2-OD1 2.82Å; Q65-D69 PolarHBondContact O-N 2.67Å
66C91.9Very high91.1Very high0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-54.9-45.2175.6-177.90000111.5S62 T63 L70 E78S62-C66 WeakPolarHBondContact O-CB 3.36Å; S62-C66 PolarHBondContact O-N 2.87Å; T63-C66 WeakPolarHBondContact O-CB 3.38Å; T63-C66 PolarHBondContact O-N 2.82Å; C66-L70 PolarHBondContact O-N 3.24Å; C66-E78 PolarHBondContact SG-OE2 2.8Å
67M93.3Very high90.9Very high1 Ų149.4 Ų49.41%0.00525%0.248CC..Hα-helixtrans-78.9-28.6-178.5-61.7-67.3-64.400113.5M1 V6 L43 I48 Y58 T63 Q64 Q65 L70 M71M1-M67 HydrophobicContact CE-CB 3.15Å; M1-M67 HydrophobicContact CE-CE 3.17Å; M1-M67 HydrophobicContact CE-CG 3.44Å; M1-M67 VanDerWaalsContact CE-CG 3.44Å; M1-M67 HydrophobicContact CE-SD 4.08Å; V6-M67 HydrophobicContact CG1-CE 3.8Å; V6-M67 HydrophobicContact CG2-CE 4.03Å; L43-M67 HydrophobicContact CD2-CE 3.73Å; L43-M67 HydrophobicContact CD2-SD 4.4Å; I48-M67 HydrophobicContact CD1-CG 4.39Å; I48-M67 HydrophobicContact CD1-SD 3.86Å; I48-M67 HydrophobicContact CG2-CE 4.19Å; I48-M67 HydrophobicContact CG2-SD 3.8Å; Y58-M67 HydrophobicContact CE1-CE 4.34Å; Y58-M67 HydrophobicContact CE1-CG 4.08Å; Y58-M67 HydrophobicContact CE1-SD 4.49Å; T63-M67 WeakPolarHBondContact O-CB 3.29Å; T63-M67 WeakPolarHBondContact O-CG 3.48Å; T63-M67 PolarHBondContact O-N 3.15Å; Q64-M67 PolarHBondContact O-N 2.51Å; Q65-M67 VanDerWaalsContact C-N 3.28Å; Q65-M67 PolarHBondContact O-N 2.72Å; M67-L70 HydrophobicContact CE-CD1 4.5Å; M67-L70 PolarHBondContact O-N 3.42Å; M67-L70 HydrophobicContact SD-CD1 3.85Å; M67-M71 WeakPolarHBondContact O-CG 3.32Å; M67-M71 PolarHBondContact O-N 3.13Å
68Q92.4Very high90.7Very high80 Ų8051.5 Ų51.537%0.37425%0.254SS..Hα-helixtrans-64.1-46.3170.9-175.260.247.400110.6Q64 Q65 L70 M71 D72Q64-Q68 WeakPolarHBondContact O-CB 3.4Å; Q64-Q68 PolarHBondContact O-N 3.05Å; Q65-Q68 PolarHBondContact O-N 2.7Å; Q68-L70 PolarHBondContact O-N 2.97Å; Q68-M71 PolarHBondContact O-N 2.87Å; Q68-M71 VanDerWaalsContact O-N 3.09Å; Q68-D72 PolarHBondContact NE2-OD1 2.99Å; Q68-D72 PolarHBondContact NE2-OD2 3.41Å; Q68-D72 WeakPolarHBondContact O-CB 3.45Å; Q68-D72 VanDerWaalsContact O-CG 3.26Å; Q68-D72 PolarHBondContact O-N 3.07Å
69D92.2Very high90.4Very high2 Ų250.2 Ų50.21%0.01125%0.25CC..Hα-helixtrans-53.2-44.3174.5-75.8-25.3000111.1Q65 D72 G73 Y74 S77 R257Q65-D69 PolarHBondContact NE2-OD1 2.82Å; Q65-D69 PolarHBondContact O-N 2.67Å; D69-D72 PolarHBondContact O-N 3.13Å; D69-G73 PolarHBondContact O-N 2.96Å; D69-Y74 CarbonylContact C-O 3.56Å; D69-Y74 VanDerWaalsContact C-O 3.29Å; D69-Y74 CarbonylContact O-C 3.6Å; D69-Y74 WeakPolarHBondContact O-CA 3.36Å; D69-Y74 PolarHBondContact O-N 3Å; D69-S77 PolarHBondContact OD2-N 2.75Å; D69-S77 PolarHBondContact OD2-OG 3.31Å; D69-R257 IonicContact OD1-CZ 2.73Å; D69-R257 IonicContact OD1-NH1 3.62Å; D69-R257 PolarHBondContact OD1-NH1 3Å; D69-R257 IonicContact OD1-NH2 3.93Å; D69-R257 PolarHBondContact OD1-NH2 3.04Å; D69-R257 IonicContact OD2-NH2 3.9Å; D69-R257 PolarHBondContact OD2-NH2 2.95Å
70L91.3Very high90Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-63.9-46.2175.9-70171.7000112.7R9 I10 L13 L41 C66 M67 Q68 D72 G73 P76 F89R9-L70 WeakPolarHBondContact CB-O 3.22Å; R9-L70 WeakPolarHBondContact CG-O 3.43Å; I10-L70 HydrophobicContact CD1-CD1 4.39Å; I10-L70 HydrophobicContact CG1-CD2 4.06Å; L13-L70 HydrophobicContact CD1-CD2 3.82Å; L41-L70 HydrophobicContact CD2-CD1 4.19Å; C66-L70 PolarHBondContact O-N 3.24Å; M67-L70 HydrophobicContact CE-CD1 4.5Å; M67-L70 PolarHBondContact O-N 3.42Å; M67-L70 HydrophobicContact SD-CD1 3.85Å; Q68-L70 PolarHBondContact O-N 2.97Å; L70-D72 PolarHBondContact O-N 3.3Å; L70-G73 PolarHBondContact O-N 3.21Å; L70-P76 HydrophobicContact CD1-CG 4.39Å; L70-P76 HydrophobicContact CD2-CG 3.96Å; L70-P76 HydrophobicContact CG-CG 3.9Å; L70-F89 HydrophobicContact CD2-CE2 3.99Å; L70-F89 HydrophobicContact CD2-CZ 4.19Å
71M89.7Confident89.3Confident33 Ų3349 Ų4916%0.16324%0.244CC..Hα-helixtrans-63.7-31.7178.2-72.4-174.8-63.300112.7L5 V6 R9 M67 Q68 G73L5-M71 HydrophobicContact CD2-CB 4.22Å; L5-M71 HydrophobicContact CD2-CG 4.36Å; V6-M71 HydrophobicContact CG2-CG 3.4Å; V6-M71 VanDerWaalsContact CG2-CG 3.4Å; V6-M71 HydrophobicContact CG2-SD 4.08Å; R9-M71 WeakPolarHBondContact CG-O 3.35Å; R9-M71 PolarHBondContact NE-O 2.81Å; M67-M71 WeakPolarHBondContact O-CG 3.32Å; M67-M71 PolarHBondContact O-N 3.13Å; Q68-M71 PolarHBondContact O-N 2.87Å; Q68-M71 VanDerWaalsContact O-N 3.09Å; M71-G73 PolarHBondContact O-N 3.36Å
72D87.9Confident88.8Confident80 Ų8050.2 Ų50.243%0.42824%0.242SC..THydrogen-bonded Turntrans-76.7-3.5175.8-66.3-24.5000112.5Q68 D69 L70 Y74Q68-D72 PolarHBondContact NE2-OD1 2.99Å; Q68-D72 PolarHBondContact NE2-OD2 3.41Å; Q68-D72 WeakPolarHBondContact O-CB 3.45Å; Q68-D72 VanDerWaalsContact O-CG 3.26Å; Q68-D72 PolarHBondContact O-N 3.07Å; D69-D72 PolarHBondContact O-N 3.13Å; L70-D72 PolarHBondContact O-N 3.3Å; D72-Y74 HydrophobicContact CB-CD2 3.69Å; D72-Y74 HydrophobicContact CB-CE2 4.01Å; D72-Y74 WeakPolarHBondContact O-CD2 3.45Å; D72-Y74 WeakPolarHBondContact O-CE2 3.21Å
73G84.8Confident88.4Confident11 Ų1151 Ų5111%0.11324%0.241CC..THydrogen-bonded Turntrans80.728.5177.800000113.3L13 D69 L70 M71L13-G73 WeakPolarHBondContact CD2-O 3.16Å; D69-G73 PolarHBondContact O-N 2.96Å; L70-G73 PolarHBondContact O-N 3.21Å; M71-G73 PolarHBondContact O-N 3.36Å
74Y86.2Confident87.7Confident44 Ų4453.7 Ų53.717%0.17326%0.258CS..SBendtrans-120.1154.8177.2-60.3-75.6000111.9L13 D69 D72 R257L13-Y74 WeakPolarHBondContact CD1-O 3.36Å; D69-Y74 CarbonylContact C-O 3.56Å; D69-Y74 VanDerWaalsContact C-O 3.29Å; D69-Y74 CarbonylContact O-C 3.6Å; D69-Y74 WeakPolarHBondContact O-CA 3.36Å; D69-Y74 PolarHBondContact O-N 3Å; D72-Y74 HydrophobicContact CB-CD2 3.69Å; D72-Y74 HydrophobicContact CB-CE2 4.01Å; D72-Y74 WeakPolarHBondContact O-CD2 3.45Å; D72-Y74 WeakPolarHBondContact O-CE2 3.21Å; Y74-R257 VanDerWaalsContact CB-NE 3.33Å; Y74-R257 HydrophobicContact CD1-CB 4.35Å; Y74-R257 HydrophobicContact CD1-CG 3.52Å; Y74-R257 HydrophobicContact CE1-CB 4.07Å; Y74-R257 HydrophobicContact CE1-CG 3.73Å; Y74-R257 HydrophobicContact CG-CG 4.14Å; Y74-R257 VanDerWaalsContact CG-NE 3.33Å
75F89.1Confident86.8Confident11 Ų1155.8 Ų55.85%0.04827%0.272CS..  trans-66.3137.4166.4-72-74.2000110.2L13 A17 S77 V87 F89 R257L13-F75 HydrophobicContact CB-CE1 4.06Å; L13-F75 HydrophobicContact CB-CE2 4.39Å; L13-F75 HydrophobicContact CB-CZ 3.8Å; L13-F75 HydrophobicContact CD2-CD2 3.92Å; L13-F75 HydrophobicContact CD2-CE1 4.44Å; L13-F75 HydrophobicContact CD2-CE2 3.73Å; L13-F75 HydrophobicContact CD2-CG 4.37Å; L13-F75 HydrophobicContact CD2-CZ 3.99Å; L13-F75 HydrophobicContact CG-CZ 4.43Å; L13-F75 WeakPolarHBondContact O-CZ 3.46Å; A17-F75 HydrophobicContact CB-CZ 3.87Å; F75-S77 PolarHBondContact O-N 3.42Å; F75-V87 WeakPolarHBondContact CE1-O 3.45Å; F75-F89 AromaticContact CD1-CE2 3.53Å; F75-F89 HydrophobicContact CD1-CE2 3.53Å; F75-F89 HydrophobicContact CD1-CZ 4.03Å; F75-F89 HydrophobicContact CE1-CD2 4.03Å; F75-F89 AromaticContact CE1-CE2 3.46Å; F75-F89 HydrophobicContact CE1-CE2 3.46Å; F75-F89 VanDerWaalsContact CE1-CE2 3.46Å; F75-F89 HydrophobicContact CE1-CZ 4.32Å; F75-R257 PolarHBondContact O-NH2 2.84Å; F75-R257 VanDerWaalsContact O-NH2 3.11Å
76P91.3Very high86.2Confident0 Ų051.2 Ų51.20%025%0.252CS..  trans-50.4133.9172.2-28.834.3000111.5L70 E78 L79L70-P76 HydrophobicContact CD1-CG 4.39Å; L70-P76 HydrophobicContact CD2-CG 3.96Å; L70-P76 HydrophobicContact CG-CG 3.9Å; P76-E78 PolarHBondContact O-N 3.08Å; P76-E78 VanDerWaalsContact O-N 3.13Å; P76-L79 HydrophobicContact CB-CD1 4.47Å; P76-L79 HydrophobicContact CB-CG 4.39Å; P76-L79 HydrophobicContact CG-CD1 4.28Å; P76-L79 PolarHBondContact O-N 3.14Å
77S86.9Confident86Confident55 Ų5551.3 Ų51.339%0.38525%0.253SS..Hα-helixtrans-52.5-33.6177.347.10000113.5D69 F75 L79 Q80D69-S77 PolarHBondContact OD2-N 2.75Å; D69-S77 PolarHBondContact OD2-OG 3.31Å; F75-S77 PolarHBondContact O-N 3.42Å; S77-L79 PolarHBondContact O-N 3.31Å; S77-Q80 WeakPolarHBondContact O-CB 3.49Å; S77-Q80 PolarHBondContact O-N 2.96Å; S77-Q80 VanDerWaalsContact O-N 3.12Å
78E88.9Confident85.8Confident77 Ų7751.6 Ų51.636%0.3626%0.255SS..Hα-helixtrans-55.8-31.3175.4-59.6163.9169.400113.5R56 C66 P76R56-E78 IonicContact CZ-OE1 3.63Å; R56-E78 IonicContact CZ-OE2 2.83Å; R56-E78 IonicContact NH1-OE1 3.59Å; R56-E78 PolarHBondContact NH1-OE1 2.73Å; R56-E78 IonicContact NH1-OE2 3.36Å; R56-E78 PolarHBondContact NH1-OE2 3.2Å; R56-E78 IonicContact NH2-OE1 3.53Å; R56-E78 PolarHBondContact NH2-OE1 2.7Å; R56-E78 IonicContact NH2-OE2 4Å; C66-E78 PolarHBondContact SG-OE2 2.8Å; P76-E78 PolarHBondContact O-N 3.08Å; P76-E78 VanDerWaalsContact O-N 3.13Å
79L86.8Confident85.7Confident8 Ų848 Ų484%0.04224%0.237CC..Hα-helixtrans-88.4-16.5-177.7-63.2179.8000112.9I39 M50 F51 P76 S77 Q81 R82 F83 V87 F89I39-L79 HydrophobicContact CD1-CD1 3.87Å; I39-L79 HydrophobicContact CD1-CD2 3.83Å; I39-L79 HydrophobicContact CD1-CG 4.47Å; M50-L79 HydrophobicContact SD-CD1 4.26Å; M50-L79 HydrophobicContact SD-CD2 3.95Å; M50-L79 HydrophobicContact SD-CG 4.36Å; F51-L79 HydrophobicContact CE2-CD2 3.74Å; F51-L79 HydrophobicContact CZ-CD2 3.6Å; P76-L79 HydrophobicContact CB-CD1 4.47Å; P76-L79 HydrophobicContact CB-CG 4.39Å; P76-L79 HydrophobicContact CG-CD1 4.28Å; P76-L79 PolarHBondContact O-N 3.14Å; S77-L79 PolarHBondContact O-N 3.31Å; L79-Q81 VanDerWaalsContact C-N 3.35Å; L79-Q81 PolarHBondContact O-N 3.48Å; L79-R82 PolarHBondContact O-N 2.91Å; L79-R82 VanDerWaalsContact O-N 3.14Å; L79-F83 HydrophobicContact CB-CD2 4.4Å; L79-F83 HydrophobicContact CD2-CD2 4.4Å; L79-F83 PolarHBondContact O-N 3.14Å; L79-V87 HydrophobicContact CD1-CG1 4.35Å; L79-F89 HydrophobicContact CD1-CE1 3.67Å; L79-F89 HydrophobicContact CD1-CZ 3.44Å; L79-F89 VanDerWaalsContact CD1-CZ 3.44Å
80Q80.9Confident85.8Confident43 Ų4352.1 Ų52.120%0.20126%0.257CS..Hα-helixtrans-65-37.3-172.2-68178.18.500112.8S77 R82 Y255S77-Q80 WeakPolarHBondContact O-CB 3.49Å; S77-Q80 PolarHBondContact O-N 2.96Å; S77-Q80 VanDerWaalsContact O-N 3.12Å; Q80-R82 PolarHBondContact O-N 3.2Å; Q80-Y255 HydrophobicContact CB-CD2 4.25Å; Q80-Y255 HydrophobicContact CB-CE2 3.47Å; Q80-Y255 VanDerWaalsContact CB-CE2 3.47Å; Q80-Y255 VanDerWaalsContact CD-CE2 3.44Å; Q80-Y255 HydrophobicContact CG-CD2 3.69Å; Q80-Y255 HydrophobicContact CG-CE2 3.39Å
81Q79.6Confident85.9Confident194 Ų19454.2 Ų54.291%0.90727%0.269SS*.THydrogen-bonded Turntrans-63-31.5177.4-70.4-172.7-10.300112.5L79L79-Q81 VanDerWaalsContact C-N 3.35Å; L79-Q81 PolarHBondContact O-N 3.48Å
82R82.2Confident86Confident181 Ų18155.8 Ų55.868%0.68328%0.276SS*.THydrogen-bonded Turntrans-99.5-29.2-174.9-162.5175.2-175.6-164.80.8112.9L79 Q80L79-R82 PolarHBondContact O-N 2.91Å; L79-R82 VanDerWaalsContact O-N 3.14Å; Q80-R82 PolarHBondContact O-N 3.2Å
83F83.9Confident86.2Confident59 Ų5955 Ų5526%0.25927%0.272SS..  trans-133.173.3-176.5-56-78.7000110I39 F51 L79 D85 G86 V87I39-F83 HydrophobicContact CD1-CD2 4.13Å; I39-F83 HydrophobicContact CD1-CE2 3.78Å; I39-F83 HydrophobicContact CD1-CZ 4.31Å; F51-F83 HydrophobicContact CE1-CE2 4.13Å; F51-F83 HydrophobicContact CE1-CZ 4.36Å; F51-F83 AromaticContact CZ-CE2 4Å; F51-F83 HydrophobicContact CZ-CE2 4Å; L79-F83 HydrophobicContact CB-CD2 4.4Å; L79-F83 HydrophobicContact CD2-CD2 4.4Å; L79-F83 PolarHBondContact O-N 3.14Å; F83-D85 VanDerWaalsContact C-N 3.27Å; F83-D85 PolarHBondContact O-N 2.62Å; F83-G86 PolarHBondContact O-N 2.84Å; F83-V87 HydrophobicContact CB-CB 3.97Å; F83-V87 HydrophobicContact CB-CG1 3.87Å; F83-V87 HydrophobicContact CD1-CB 3.86Å; F83-V87 HydrophobicContact CD1-CG1 4.31Å; F83-V87 HydrophobicContact CD1-CG2 4Å; F83-V87 HydrophobicContact CD2-CB 4.37Å; F83-V87 HydrophobicContact CD2-CG1 3.91Å; F83-V87 HydrophobicContact CE1-CB 4.44Å; F83-V87 HydrophobicContact CE1-CG2 4.09Å; F83-V87 HydrophobicContact CG-CB 3.81Å; F83-V87 HydrophobicContact CG-CG1 3.77Å; F83-V87 HydrophobicContact CG-CG2 4.32Å; F83-V87 HydrophobicContact CZ-CG2 4.5Å
84P78.3Confident86.5Confident56 Ų5660.6 Ų60.636%0.36429%0.29SS..THydrogen-bonded Turntrans-59.5-39.9178.823.6-33.2000111.3G86 Y255P84-G86 PolarHBondContact O-N 2.97Å; P84-G86 VanDerWaalsContact O-N 3.1Å; P84-Y255 HydrophobicContact CB-CD1 4.39Å; P84-Y255 HydrophobicContact CB-CE1 3.64Å; P84-Y255 WeakPolarHBondContact O-CD1 3.38Å; P84-Y255 VanDerWaalsContact O-CE1 3.24Å; P84-Y255 WeakPolarHBondContact O-CE1 3.49Å; P84-Y255 VanDerWaalsContact O-CG 3.24Å
85D72.6Confident86.7Confident135 Ų13562.5 Ų62.572%0.72230%0.297SS*.THydrogen-bonded Turntrans-82.914.7-178.2-54.1-41.3000114K36 F83K36-D85 PolarHBondContact NZ-O 2.77Å; F83-D85 VanDerWaalsContact C-N 3.27Å; F83-D85 PolarHBondContact O-N 2.62Å
86G80.6Confident86.6Confident5 Ų568.6 Ų68.65%0.05233%0.33CS..  trans69.9163.4-17300000113.7K36 F83 P84K36-G86 PolarHBondContact NZ-O 3.3Å; F83-G86 PolarHBondContact O-N 2.84Å; P84-G86 PolarHBondContact O-N 2.97Å; P84-G86 VanDerWaalsContact O-N 3.1Å
87V87.1Confident86.5Confident3 Ų372.2 Ų72.22%0.01835%0.349CS..  trans-147.3135.2-171.756.90000110.5A17 I39 F75 L79 F83A17-V87 VanDerWaalsContact CB-C 3.49Å; I39-V87 HydrophobicContact CD1-CB 4.21Å; I39-V87 HydrophobicContact CD1-CG1 3.33Å; I39-V87 HydrophobicContact CD1-CG2 3.86Å; I39-V87 HydrophobicContact CG1-CG1 4.12Å; I39-V87 HydrophobicContact CG1-CG2 3.72Å; F75-V87 WeakPolarHBondContact CE1-O 3.45Å; L79-V87 HydrophobicContact CD1-CG1 4.35Å; F83-V87 HydrophobicContact CB-CB 3.97Å; F83-V87 HydrophobicContact CB-CG1 3.87Å; F83-V87 HydrophobicContact CD1-CB 3.86Å; F83-V87 HydrophobicContact CD1-CG1 4.31Å; F83-V87 HydrophobicContact CD1-CG2 4Å; F83-V87 HydrophobicContact CD2-CB 4.37Å; F83-V87 HydrophobicContact CD2-CG1 3.91Å; F83-V87 HydrophobicContact CE1-CB 4.44Å; F83-V87 HydrophobicContact CE1-CG2 4.09Å; F83-V87 HydrophobicContact CG-CB 3.81Å; F83-V87 HydrophobicContact CG-CG1 3.77Å; F83-V87 HydrophobicContact CG-CG2 4.32Å; F83-V87 HydrophobicContact CZ-CG2 4.5Å
88P89.2Confident86.4Confident7 Ų774.5 Ų74.55%0.04535%0.354CS..  trans-65.5152.3176.7-18.832.1000111.8A17 E19 K36 P38 I39A17-P88 HydrophobicContact CB-CG 3.94Å; E19-P88 HydrophobicContact CB-CB 4.47Å; K36-P88 HydrophobicContact CB-CG 4.26Å; P38-P88 CarbonylContact C-O 3.54Å; P38-P88 VanDerWaalsContact CA-O 3.28Å; P38-P88 WeakPolarHBondContact CA-O 3.33Å; P38-P88 HydrophobicContact CB-CB 4.26Å; I39-P88 PolarHBondContact N-O 3.07Å
89F91.3Very high86.1Confident3 Ų373.8 Ų73.81%0.01335%0.35CS..EExtended strand (participates in β ladder)trans-110135.3172.2-67.3-79.7000111.2I10 N14 I39 L41 M50 L70 F75 L79 V91I10-F89 HydrophobicContact CG2-CB 3.65Å; I10-F89 HydrophobicContact CG2-CD2 3.99Å; I10-F89 HydrophobicContact CG2-CG 4.16Å; N14-F89 PolarHBondContact ND2-O 3.17Å; N14-F89 PolarHBondContact OD1-N 2.77Å; I39-F89 HydrophobicContact CB-CD1 3.91Å; I39-F89 HydrophobicContact CB-CE1 4.25Å; I39-F89 HydrophobicContact CD1-CE1 4.44Å; I39-F89 HydrophobicContact CG2-CD1 4.07Å; I39-F89 HydrophobicContact CG2-CE1 4.19Å; I39-F89 CarbonylContact O-C 3.29Å; I39-F89 WeakPolarHBondContact O-CA 3.43Å; L41-F89 HydrophobicContact CB-CD1 4.21Å; L41-F89 HydrophobicContact CD2-CD1 4.3Å; M50-F89 HydrophobicContact CE-CE1 4.39Å; L70-F89 HydrophobicContact CD2-CE2 3.99Å; L70-F89 HydrophobicContact CD2-CZ 4.19Å; F75-F89 AromaticContact CD1-CE2 3.53Å; F75-F89 HydrophobicContact CD1-CE2 3.53Å; F75-F89 HydrophobicContact CD1-CZ 4.03Å; F75-F89 HydrophobicContact CE1-CD2 4.03Å; F75-F89 AromaticContact CE1-CE2 3.46Å; F75-F89 HydrophobicContact CE1-CE2 3.46Å; F75-F89 VanDerWaalsContact CE1-CE2 3.46Å; F75-F89 HydrophobicContact CE1-CZ 4.32Å; L79-F89 HydrophobicContact CD1-CE1 3.67Å; L79-F89 HydrophobicContact CD1-CZ 3.44Å; L79-F89 VanDerWaalsContact CD1-CZ 3.44Å; F89-V91 HydrophobicContact CB-CG2 4.11Å
90E92.3Very high85.5Confident89 Ų8980.2 Ų80.242%0.41638%0.381SS..EExtended strand (participates in β ladder)trans-98.6101.9164.5-172.4173174.900108.9P38 I39 Q40 L41 H92P38-E90 HydrophobicContact CB-CB 4.16Å; P38-E90 HydrophobicContact CG-CB 4.47Å; I39-E90 PolarHBondContact O-N 3.16Å; Q40-E90 PolarHBondContact NE2-OE2 2.86Å; L41-E90 PolarHBondContact N-O 3.1Å; E90-H92 IonicContact OE1-CE1 2.79Å
91V93.8Very high84.7Confident44 Ų4482.9 Ų82.927%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-91.2126.8-172.9-171.20000111.5L7 I10 L41 L43 F89L7-V91 HydrophobicContact CD2-CB 4.4Å; L7-V91 HydrophobicContact CD2-CG1 3.64Å; I10-V91 HydrophobicContact CB-CG2 4.19Å; I10-V91 HydrophobicContact CD1-CG2 3.76Å; I10-V91 HydrophobicContact CG1-CG2 4.49Å; I10-V91 HydrophobicContact CG2-CG2 3.4Å; L41-V91 CarbonylContact O-C 3.52Å; L41-V91 VanDerWaalsContact O-CA 3.3Å; L41-V91 WeakPolarHBondContact O-CA 3.13Å; L43-V91 HydrophobicContact CD1-CG1 3.86Å; L43-V91 HydrophobicContact CG-CG1 4.06Å; F89-V91 HydrophobicContact CB-CG2 4.11Å
92H92.6Very high83.5Confident66 Ų6683.5 Ų83.531%0.30639%0.394SS..EExtended strand (participates in β ladder)trans-105.9104.8169.9-66.372.9000108.8Q40 L41 R42 L43 E90 R94Q40-H92 PolarHBondContact OE1-CE1 3.23Å; L41-H92 PolarHBondContact O-N 3.39Å; R42-H92 WeakPolarHBondContact CA-O 3.44Å; R42-H92 HydrophobicContact CB-CB 4.32Å; R42-H92 HydrophobicContact CG-CB 4.03Å; L43-H92 PolarHBondContact N-O 3.14Å; E90-H92 IonicContact OE1-CE1 2.79Å; H92-R94 PolarHBondContact O-N 3.24Å
93D92.3Very high81.9Confident65 Ų6579.3 Ų79.335%0.34839%0.388SS..EExtended strand (participates in β ladder)trans-76.9114.6175.5-170.5-1.5000110.3L7 R95L7-D93 WeakPolarHBondContact CD1-OD2 3.46Å; D93-R95 VanDerWaalsContact OD1-CB 3.29Å; D93-R95 WeakPolarHBondContact OD1-CB 3.29Å; D93-R95 WeakPolarHBondContact OD1-CD 3.41Å; D93-R95 VanDerWaalsContact OD1-CG 3.28Å; D93-R95 WeakPolarHBondContact OD1-CG 3.22Å; D93-R95 PolarHBondContact OD1-N 2.83Å; D93-R95 IonicContact OD2-NE 2.75Å
94R91.4Very high80.2Confident127 Ų12782 Ų8248%0.47941%0.412SS..EExtended strand (participates in β ladder)trans-130.631.6176.9-62.1-68.1-174.7164.3-3.5109.8L43 Y44 H92 D96 D97L43-R94 CarbonylContact O-C 3.57Å; L43-R94 WeakPolarHBondContact O-CA 3.42Å; L43-R94 VanDerWaalsContact O-CB 3.24Å; L43-R94 WeakPolarHBondContact O-CB 3.47Å; L43-R94 PolarHBondContact O-N 3.29Å; Y44-R94 HydrophobicContact CD1-CB 3.76Å; Y44-R94 HydrophobicContact CE1-CB 3.79Å; Y44-R94 HydrophobicContact CE1-CG 4.18Å; Y44-R94 HydrophobicContact CG-CB 4.44Å; H92-R94 PolarHBondContact O-N 3.24Å; R94-D96 PolarHBondContact O-N 3.02Å; R94-D96 VanDerWaalsContact O-N 3.09Å; R94-D97 HydrophobicContact CB-CB 4.31Å; R94-D97 WeakPolarHBondContact CD-OD2 3.45Å; R94-D97 IonicContact NH1-OD2 2.68Å; R94-D97 WeakPolarHBondContact O-CB 3.47Å; R94-D97 PolarHBondContact O-N 3.27Å; R94-D97 VanDerWaalsContact O-O 3.13Å
95R89.3Confident78.7Confident85 Ų8589.2 Ų89.232%0.32143%0.432SS..THydrogen-bonded Turntrans-59.2-22.1-175.469.2-169.9-172.5179.62.1114.9F3 D4 L43 R45 D93F3-R95 HydrophobicContact CD1-CB 4.18Å; F3-R95 HydrophobicContact CE1-CB 4.27Å; F3-R95 HydrophobicContact CG-CB 4.33Å; D4-R95 IonicContact OD1-CZ 3.66Å; D4-R95 IonicContact OD1-NH1 3.78Å; D4-R95 PolarHBondContact OD1-NH1 2.88Å; L43-R95 PolarHBondContact O-N 3.27Å; R45-R95 VanDerWaalsContact CB-O 3.25Å; R45-R95 WeakPolarHBondContact CB-O 3.43Å; D93-R95 VanDerWaalsContact OD1-CB 3.29Å; D93-R95 WeakPolarHBondContact OD1-CB 3.29Å; D93-R95 WeakPolarHBondContact OD1-CD 3.41Å; D93-R95 VanDerWaalsContact OD1-CG 3.28Å; D93-R95 WeakPolarHBondContact OD1-CG 3.22Å; D93-R95 PolarHBondContact OD1-N 2.83Å; D93-R95 IonicContact OD2-NE 2.75Å
96D87.9Confident77.3Confident138 Ų13890.9 Ų90.974%0.73844%0.435SS*.THydrogen-bonded Turntrans-85.1-13.7176.9-58.5-47.7000112.4R94R94-D96 PolarHBondContact O-N 3.02Å; R94-D96 VanDerWaalsContact O-N 3.09Å
97D88.9Confident75.8Confident76 Ų7697 Ų9741%0.40647%0.472SS..SBendtrans-99.5136.9179.4-60.4-38.3000110.5Y44 R45 R94Y44-D97 HydrophobicContact CD1-CB 4.24Å; R45-D97 WeakPolarHBondContact CB-O 3.28Å; R45-D97 PolarHBondContact N-O 3.39Å; R94-D97 HydrophobicContact CB-CB 4.31Å; R94-D97 WeakPolarHBondContact CD-OD2 3.45Å; R94-D97 IonicContact NH1-OD2 2.68Å; R94-D97 WeakPolarHBondContact O-CB 3.47Å; R94-D97 PolarHBondContact O-N 3.27Å; R94-D97 VanDerWaalsContact O-O 3.13Å
98E85.4Confident73.7Confident104 Ų104105 Ų10549%0.48651%0.507SS..  trans-90.1129.2165.9-77.3179.6-167.700109.9R45 M100R45-E98 HydrophobicContact CB-CG 3.97Å; R45-E98 HydrophobicContact CG-CG 4.47Å; R45-E98 IonicContact NH1-OE1 2.8Å; E98-M100 PolarHBondContact O-N 3.24Å
99F81.3Confident71.9Confident62 Ų62111.2 Ų111.227%0.27255%0.547SS..  trans-72.1105.6172.8-170-92000109.1Y44 N46 V49 F55 V101Y44-F99 HydrophobicContact CD1-CB 3.98Å; Y44-F99 HydrophobicContact CD1-CD2 4.44Å; Y44-F99 HydrophobicContact CD2-CB 4.02Å; Y44-F99 HydrophobicContact CD2-CD2 4.16Å; Y44-F99 HydrophobicContact CD2-CG 4.45Å; Y44-F99 HydrophobicContact CE1-CB 4.34Å; Y44-F99 AromaticContact CE1-CD2 3.97Å; Y44-F99 HydrophobicContact CE1-CD2 3.97Å; Y44-F99 HydrophobicContact CE2-CB 4.36Å; Y44-F99 AromaticContact CE2-CD2 3.65Å; Y44-F99 HydrophobicContact CE2-CD2 3.65Å; Y44-F99 HydrophobicContact CE2-CE2 4.39Å; Y44-F99 HydrophobicContact CE2-CG 4.36Å; Y44-F99 HydrophobicContact CG-CB 3.81Å; Y44-F99 AromaticContact CZ-CD2 3.55Å; N46-F99 PolarHBondContact ND2-O 2.76Å; N46-F99 PolarHBondContact OD1-N 3.37Å; V49-F99 HydrophobicContact CG2-CD2 4.44Å; V49-F99 HydrophobicContact CG2-CE2 4.24Å; F55-F99 HydrophobicContact CB-CD1 3.53Å; F55-F99 HydrophobicContact CB-CE1 3.42Å; F55-F99 VanDerWaalsContact CB-CE1 3.42Å; F55-F99 HydrophobicContact CB-CG 4.33Å; F55-F99 HydrophobicContact CB-CZ 4.15Å; F55-F99 AromaticContact CD1-CD1 3.92Å; F55-F99 HydrophobicContact CD1-CD1 3.92Å; F55-F99 HydrophobicContact CD2-CB 3.51Å; F55-F99 AromaticContact CD2-CD1 3.36Å; F55-F99 HydrophobicContact CD2-CD1 3.36Å; F55-F99 HydrophobicContact CD2-CD2 4.19Å; F55-F99 HydrophobicContact CD2-CE1 4.11Å; F55-F99 AromaticContact CD2-CG 3.4Å; F55-F99 HydrophobicContact CD2-CG 3.4Å; F55-F99 VanDerWaalsContact CD2-CG 3.4Å; F55-F99 HydrophobicContact CE2-CB 3.33Å; F55-F99 HydrophobicContact CE2-CD1 4.03Å; F55-F99 AromaticContact CE2-CG 3.82Å; F55-F99 HydrophobicContact CE2-CG 3.82Å; F55-F99 HydrophobicContact CG-CB 4.25Å; F55-F99 AromaticContact CG-CD1 3.29Å; F55-F99 HydrophobicContact CG-CD1 3.29Å; F55-F99 AromaticContact CG-CE1 3.79Å; F55-F99 HydrophobicContact CG-CE1 3.79Å; F55-F99 AromaticContact CG-CG 3.88Å; F55-F99 HydrophobicContact CG-CG 3.88Å; F55-F99 HydrophobicContact CZ-CB 3.94Å; F99-V101 HydrophobicContact CD1-CG2 4.06Å; F99-V101 HydrophobicContact CE1-CG2 3.78Å
100M75.2Confident69.8Low143 Ų143113.7 Ų113.770%0.70457%0.574SS**  trans-89110168.9-60.2-175-156.200107.9E98 R102E98-M100 PolarHBondContact O-N 3.24Å; M100-R102 VanDerWaalsContact C-N 3.32Å; M100-R102 PolarHBondContact O-N 2.84Å
101V63.4Low67.8Low98 Ų98117.9 Ų117.959%0.59460%0.599SS**  trans-57.3105.5161.2176.60000105.2F99 T103F99-V101 HydrophobicContact CD1-CG2 4.06Å; F99-V101 HydrophobicContact CE1-CG2 3.78Å; V101-T103 PolarHBondContact O-N 2.9Å
102R55Low65.8Low208 Ų208119.3 Ų119.379%0.78562%0.623SS**  trans-64.795.5171.3-70.1-116.6171.3-165.3-4.4105.6M100M100-R102 VanDerWaalsContact C-N 3.32Å; M100-R102 PolarHBondContact O-N 2.84Å
103T49.1Very low63.7Low92 Ų92125.2 Ų125.256%0.56465%0.65SS**  trans-50.9129.4156.536.60000105.7V101 W105V101-T103 PolarHBondContact O-N 2.9Å; T103-W105 VanDerWaalsContact C-N 3.34Å; T103-W105 PolarHBondContact O-N 2.62Å
104P47.2Very low61.4Low117 Ų117126.9 Ų126.976%0.7667%0.673SS**SBendtrans-53.7109.1171.2-20.230.6000106
105W47.2Very low58.9Low207 Ų207127.5 Ų127.578%0.78469%0.691SS**  trans21.4112170.1-52.585.5000114.9T103 T107T103-W105 VanDerWaalsContact C-N 3.34Å; T103-W105 PolarHBondContact O-N 2.62Å; W105-T107 PolarHBondContact O-N 3.47Å
106H42.9Very low56.4Low170 Ų170129.8 Ų129.879%0.78772%0.718SS**  trans-39.5119151.5-77.5-79.5000108.1F108H106-F108 PolarHBondContact O-N 2.78Å; H106-F108 VanDerWaalsContact O-N 3.13Å
107T48Very low53.9Low132 Ų132126.7 Ų126.781%0.8172%0.719SS**  trans-25.6117.4165.4-53.10000109.2W105 P109W105-T107 PolarHBondContact O-N 3.47Å; T107-P109 VanDerWaalsContact O-N 3.11Å
108F43.9Very low51.2Low173 Ų173132.8 Ų132.876%0.75974%0.742SS**  trans-41.4122172.7-82-98.9000108.5H106 G110H106-F108 PolarHBondContact O-N 2.78Å; H106-F108 VanDerWaalsContact O-N 3.13Å; F108-G110 PolarHBondContact O-N 3.12Å; F108-G110 VanDerWaalsContact O-N 3.12Å
109P51.2Low49Very low136 Ų136137 Ų13788%0.88376%0.762SS**  trans-76.24.5-178.532.1-35.1000112.1T107 D111T107-P109 VanDerWaalsContact O-N 3.11Å; P109-D111 PolarHBondContact O-N 3.47Å
110G47.8Very low46.7Very low56 Ų56139.6 Ų139.658%0.57779%0.787SS**SBendtrans-78.6117.8175.500000109.5F108 G112F108-G110 PolarHBondContact O-N 3.12Å; F108-G110 VanDerWaalsContact O-N 3.12Å; G110-G112 VanDerWaalsContact C-N 3.34Å; G110-G112 PolarHBondContact O-N 3.44Å
111D50.5Low45Very low176 Ų176139.1 Ų139.194%0.94179%0.793SS**  trans-56.2100.6161.6-88.7-38.2000108.4P109 Q113P109-D111 PolarHBondContact O-N 3.47Å; D111-Q113 PolarHBondContact O-N 2.83Å
112G51.2Low43.4Very low75 Ų75141.8 Ų141.877%0.77380%0.804SS**  trans-74122.217900000110.6G110 A114G110-G112 VanDerWaalsContact C-N 3.34Å; G110-G112 PolarHBondContact O-N 3.44Å; G112-A114 PolarHBondContact O-N 3.39Å
113Q47.7Very low42.8Very low190 Ų190137.5 Ų137.589%0.88881%0.805SS**  trans-81.3115173.1-155.4167.424.500109.3D111 V115D111-Q113 PolarHBondContact O-N 2.83Å; Q113-V115 PolarHBondContact O-N 3.42Å
114A45Very low42Very low99 Ų99139.6 Ų139.682%0.81882%0.818SS**  trans-72.5114.4-179.600000111.2G112G112-A114 PolarHBondContact O-N 3.39Å
115V39.6Very low41.2Very low141 Ų141137 Ų13786%0.85581%0.813SS**  trans-91.6102.6165-178.30000107.6Q113 G117Q113-V115 PolarHBondContact O-N 3.42Å; V115-G117 PolarHBondContact O-N 3.26Å
116C36.9Very low40.7Very low133 Ų133137.5 Ų137.590%0.89982%0.821SS**  trans-59.1124.4178.1-159.90000110.7
117G33.8Very low40.2Very low73 Ų73135.2 Ų135.275%0.75382%0.818SS**  trans-151.693.4176.600000110.7V115V115-G117 PolarHBondContact O-N 3.26Å
118K32.4Very low39.7Very low203 Ų203133.8 Ų133.888%0.88381%0.811SS**  trans-7.2139.5174-70.2174.1175.2176.50119.9
119E39.8Very low39.3Very low194 Ų194132.6 Ų132.691%0.90781%0.813SS**  trans-51.9137.4-178.6-58.1170.5163.100114.6
120S32.6Very low39Very low116 Ų116136.6 Ų136.681%0.81181%0.81SS**  trans-136.4112.2157.1-63.30000107.2D122S120-D122 PolarHBondContact O-N 3.47Å
121T39.5Very low38.9Very low133 Ų133144.8 Ų144.882%0.81682%0.824SS**  trans-54.5113.8161.642.30000108.7
122D30.8Very low39Very low154 Ų154142 Ų14282%0.82481%0.808SS**  trans-158.5121.3143.4-95.9-25.2000110.7S120S120-D122 PolarHBondContact O-N 3.47Å
123S42.2Very low39.3Very low117 Ų117142.3 Ų142.382%0.81880%0.795SS**  trans-61127.4176.1-8.80000112.1
124V31.3Very low39.7Very low136 Ų136136.1 Ų136.182%0.82477%0.77SS**  trans-148.9112158.7-82.10000106.8
125G31Very low40.3Very low64 Ų64134.8 Ų134.866%0.6675%0.749SS**  cis83.811048.900000108V127G125-V127 PolarHBondContact O-N 3.06Å
126F37.4Very low41.4Very low217 Ų217133.1 Ų133.195%0.95273%0.733SS**  trans-27.3120.8165.4-109.9-108.4000111.7
127V32.1Very low42.6Very low122 Ų122132.3 Ų132.374%0.73971%0.714SS**  trans-100.4114.2166.7-163.10000108G125G125-V127 PolarHBondContact O-N 3.06Å
128P36.9Very low44Very low101 Ų101129 Ų12966%0.65668%0.679SS**  trans-69.7145.2170.129.6-30.5000109.2R130P128-R130 PolarHBondContact O-N 3.05Å
129D36.1Very low45.5Very low148 Ų148124.4 Ų124.479%0.79166%0.664SS**  trans-39.3105.3169.3-175.727.3000111.1R131D129-R131 PolarHBondContact O-N 3.41Å
130R44.8Very low46.5Very low220 Ų220124 Ų12483%0.8366%0.66SS**  trans-77.790.4-176.9-136.1-175.7-170.8-149.54.2106.8P128 L132P128-R130 PolarHBondContact O-N 3.05Å; R130-L132 PolarHBondContact O-N 2.87Å
131R45.1Very low47.6Very low228 Ų228121 Ų12186%0.8663%0.634SS**  trans-50.6110.2172.6-68.4-170.2178-168.80.5109.5D129D129-R131 PolarHBondContact O-N 3.41Å
132L53.3Low48.1Very low118 Ų118118.8 Ų118.862%0.61862%0.622SS**  trans-66.4136172.6-62.1172.4000108.4R130 Q136R130-L132 PolarHBondContact O-N 2.87Å; L132-Q136 HydrophobicContact CB-CB 4.35Å; L132-Q136 VanDerWaalsContact CD2-OE1 3.24Å
133T56.8Low49.1Very low82 Ų82119.2 Ų119.250%0.50362%0.616SS.*  trans-66.5151.3173.4540000110D135 Q136 F137T133-D135 PolarHBondContact O-N 2.91Å; T133-Q136 PolarHBondContact O-N 3.35Å; T133-F137 PolarHBondContact O-N 2.92Å
134T56.8Low49.6Very low59 Ų59117.4 Ų117.436%0.36260%0.6SS.*Hα-helixtrans-48.7-34.3178.833.20000112.7L138 L162T134-L138 WeakPolarHBondContact O-CG 3.43Å; T134-L138 PolarHBondContact O-N 3.46Å; T134-L162 HydrophobicContact CG2-CB 4.39Å; T134-L162 HydrophobicContact CG2-CD1 4.34Å
135D57.9Low50.4Low71 Ų71114.3 Ų114.338%0.3858%0.581SS.*Hα-helixtrans-74.2-31.6177.5-63-48.6000114.3T133 N139 R159T133-D135 PolarHBondContact O-N 2.91Å; D135-N139 PolarHBondContact O-N 2.95Å; D135-N139 PolarHBondContact O-ND2 2.7Å; D135-R159 IonicContact OD1-CZ 3.61Å; D135-R159 IonicContact OD1-NE 3.74Å; D135-R159 IonicContact OD1-NH2 2.68Å; D135-R159 PolarHBondContact OD1-NH2 2.93Å
136Q62.2Low50.8Low107 Ų107115.8 Ų115.850%0.558%0.577SS.*Hα-helixtrans-70.5-34.1175-82.4-176.8-700111.8L132 T133L132-Q136 HydrophobicContact CB-CB 4.35Å; L132-Q136 VanDerWaalsContact CD2-OE1 3.24Å; T133-Q136 PolarHBondContact O-N 3.35Å
137F63.1Low51.1Low115 Ų115113 Ų11350%0.50457%0.565SS.*Hα-helixtrans-67.6-46.6175.1-177.3-101.6000112.1T133 N139 K140T133-F137 PolarHBondContact O-N 2.92Å; F137-N139 PolarHBondContact O-N 3.25Å; F137-K140 PolarHBondContact O-N 3.28Å; F137-K140 VanDerWaalsContact O-N 3.14Å
138L62Low51.3Low5 Ų5112.1 Ų112.13%0.02657%0.57CS.*Hα-helixtrans-67.3-21.3-179.9-66.7173.7000113.6T134 K140 L141 R155 L158 R159T134-L138 WeakPolarHBondContact O-CG 3.43Å; T134-L138 PolarHBondContact O-N 3.46Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-L141 HydrophobicContact CD2-CD1 4.33Å; L138-R155 PolarHBondContact O-NE 3.08Å; L138-R155 PolarHBondContact O-NH2 3.1Å; L138-L158 HydrophobicContact CD2-CB 3.72Å; L138-L158 HydrophobicContact CD2-CD1 4.27Å; L138-R159 HydrophobicContact CD1-CB 3.89Å; L138-R159 HydrophobicContact CD1-CG 4.34Å
139N63.4Low51.4Low105 Ų105110.5 Ų110.556%0.56157%0.572SS**THydrogen-bonded Turntrans-78.5-16176.1-86.3-53.2000113.8D135 F137 R155D135-N139 PolarHBondContact O-N 2.95Å; D135-N139 PolarHBondContact O-ND2 2.7Å; F137-N139 PolarHBondContact O-N 3.25Å; N139-R155 VanDerWaalsContact CG-NH2 3.35Å; N139-R155 PolarHBondContact OD1-NH2 2.97Å
140K61.9Low51.7Low187 Ų187109.1 Ų109.181%0.81356%0.564SS**SBendtrans-88.3-6.6178-67.8-72.5-174.3174.90113.4F137 L138F137-K140 PolarHBondContact O-N 3.28Å; F137-K140 VanDerWaalsContact O-N 3.14Å; L138-K140 VanDerWaalsContact C-N 3.34Å
141L55.1Low51.7Low53 Ų53103.4 Ų103.428%0.27755%0.554SS.*SBendtrans-85.4141.1176.2-65171.9000111.2L138 K143 L158L138-L141 HydrophobicContact CD2-CD1 4.33Å; L141-K143 PolarHBondContact O-N 3.16Å; L141-L158 HydrophobicContact CD1-CD1 3.5Å; L141-L158 VanDerWaalsContact CD1-CD1 3.5Å
142P49.9Very low51.9Low85 Ų8596.6 Ų96.655%0.55253%0.534SS*.  trans-54.3136.9173.3-22.331.6000111.1V144P142-V144 VanDerWaalsContact C-N 3.26Å; P142-V144 PolarHBondContact O-N 3.17Å
143K52.9Low51.9Low163 Ų16395.4 Ų95.471%0.70953%0.531SS*.SBendtrans-63-28.9-169.2-73.4-179.5179.5176.10113.7L141L141-K143 PolarHBondContact O-N 3.16Å
144V51.4Low51.8Low79 Ų7993.9 Ų93.948%0.47952%0.519SS..  trans-152.8137.3-177.4-1780000109.3P142 V151P142-V144 VanDerWaalsContact C-N 3.26Å; P142-V144 PolarHBondContact O-N 3.17Å; V144-V151 HydrophobicContact CG1-CG1 3.56Å
145V47.7Very low51.7Low72 Ų7294.6 Ų94.644%0.43652%0.516SS..EExtended strand (participates in β ladder)trans-127.3132.5167.2177.50000108I152 I154V145-I152 PolarHBondContact O-N 2.85Å; V145-I154 HydrophobicContact CB-CD1 4.42Å; V145-I154 HydrophobicContact CG2-CD1 3.88Å
146V40.9Very low51.6Low95 Ų9593.2 Ų93.258%0.57652%0.518SS*.EExtended strand (participates in β ladder)trans-100.5119.3176.2-172.70000107.9V151V146-V151 HydrophobicContact CG2-CG2 4.45Å
147K43.3Very low51.3Low159 Ų15991.7 Ų91.769%0.69152%0.519SS*.EExtended strand (participates in β ladder)trans-129123.4174.2-165.8-179.6-179.6-1770108G149 N150K147-G149 PolarHBondContact O-N 3.13Å; K147-N150 PolarHBondContact N-O 2.87Å; K147-N150 PolarHBondContact O-N 3.37Å
148A34.7Very low50.9Low103 Ų10389.3 Ų89.385%0.85151%0.511SS*.THydrogen-bonded Turntrans54.642.4179.300000115.1N150A148-N150 VanDerWaalsContact C-N 3.27Å; A148-N150 PolarHBondContact O-N 2.82Å
149G40.6Very low50.5Low67 Ų6795.7 Ų95.769%0.69154%0.535SS*.THydrogen-bonded Turntrans79.3-2.4174.100000116K147K147-G149 PolarHBondContact O-N 3.13Å
150N42.4Very low50.1Low118 Ų11899.3 Ų99.363%0.63155%0.546SS*.EExtended strand (participates in β ladder)trans-107.8132.5175.7-72.8-25.7000111.4K147 A148K147-N150 PolarHBondContact N-O 2.87Å; K147-N150 PolarHBondContact O-N 3.37Å; A148-N150 VanDerWaalsContact C-N 3.27Å; A148-N150 PolarHBondContact O-N 2.82Å
151V43.5Very low49.9Very low101 Ų10196 Ų9661%0.61254%0.541SS*.EExtended strand (participates in β ladder)trans-85.2109.8179.3-178.50000109V144 V146V144-V151 HydrophobicContact CG1-CG1 3.56Å; V146-V151 HydrophobicContact CG2-CG2 4.45Å
152I49.2Very low49.8Very low85 Ų8598.2 Ų98.244%0.43655%0.553SS.*EExtended strand (participates in β ladder)trans-103116-177-56171.6000109.7V145 I154V145-I152 PolarHBondContact O-N 2.85Å; I152-I154 PolarHBondContact O-N 3.26Å
153T53.1Low49.7Very low92 Ų92101.1 Ų101.156%0.56456%0.56SS**  trans-87.178.7174.943.50000111R155 G156T153-R155 PolarHBondContact O-N 2.91Å; T153-G156 PolarHBondContact O-N 3.38Å
154I55.4Low48.8Very low50 Ų5096.1 Ų96.126%0.25655%0.554SS.*Hα-helixtrans-49.8-32.4-174.5-5.2175.2000114.6V145 I152 G156 L158V145-I154 HydrophobicContact CB-CD1 4.42Å; V145-I154 HydrophobicContact CG2-CD1 3.88Å; I152-I154 PolarHBondContact O-N 3.26Å; I154-G156 PolarHBondContact O-N 2.96Å; I154-L158 HydrophobicContact CG2-CD1 4.45Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 3.22Å
155R54.4Low48.6Very low74 Ų74100.4 Ų100.428%0.27957%0.574SS.*Hα-helixtrans-70.3-31-171.5-59.1179.567-179.8-5113.5L138 N139 T153L138-R155 PolarHBondContact O-NE 3.08Å; L138-R155 PolarHBondContact O-NH2 3.1Å; N139-R155 VanDerWaalsContact CG-NH2 3.35Å; N139-R155 PolarHBondContact OD1-NH2 2.97Å; T153-R155 PolarHBondContact O-N 2.91Å
156G56.3Low48.4Very low42 Ų42101.9 Ų101.943%0.43359%0.587SS.*Hα-helixtrans-77.9-40179.100000112.8T153 I154 R159T153-G156 PolarHBondContact O-N 3.38Å; I154-G156 PolarHBondContact O-N 2.96Å; G156-R159 PolarHBondContact O-N 3.47Å
157S56.3Low48Very low75 Ų75105.3 Ų105.352%0.52460%0.602SS.*Hα-helixtrans-66.5-40.3-179.2-55.10000112.3K160 T161S157-K160 PolarHBondContact O-N 2.95Å; S157-T161 PolarHBondContact O-N 3.38Å; S157-T161 PolarHBondContact O-OG1 2.8Å
158L54.8Low47.8Very low65 Ų65101.9 Ų101.934%0.3460%0.603SS.*Hα-helixtrans-72.2-29.5-179.9-65.3174.7000113.3L138 L141 I154 K160 T161 L162L138-L158 HydrophobicContact CD2-CB 3.72Å; L138-L158 HydrophobicContact CD2-CD1 4.27Å; L141-L158 HydrophobicContact CD1-CD1 3.5Å; L141-L158 VanDerWaalsContact CD1-CD1 3.5Å; I154-L158 HydrophobicContact CG2-CD1 4.45Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 3.22Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.44Å; L158-T161 PolarHBondContact O-N 3.11Å; L158-L162 WeakPolarHBondContact O-CG 3.26Å; L158-L162 PolarHBondContact O-N 2.78Å
159R52.3Low47.8Very low139 Ų139105.5 Ų105.553%0.52560%0.603SS.*Hα-helixtrans-64.9-36.7175.8-173.6179.8-97.9177.3-8.2111.6D135 L138 G156 L162 Q163D135-R159 IonicContact OD1-CZ 3.61Å; D135-R159 IonicContact OD1-NE 3.74Å; D135-R159 IonicContact OD1-NH2 2.68Å; D135-R159 PolarHBondContact OD1-NH2 2.93Å; L138-R159 HydrophobicContact CD1-CB 3.89Å; L138-R159 HydrophobicContact CD1-CG 4.34Å; G156-R159 PolarHBondContact O-N 3.47Å; R159-L162 PolarHBondContact O-N 2.85Å; R159-Q163 PolarHBondContact O-N 2.64Å
160K56.5Low47.8Very low181 Ų181107.4 Ų107.479%0.78761%0.605SS**Hα-helixtrans-69.6-36.4178.5-69.6-176.7177.9-176.90112.4S157 L158 L162S157-K160 PolarHBondContact O-N 2.95Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.44Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.33Å
161T57.5Low47.4Very low117 Ų117107 Ų10772%0.71861%0.612SS**Hα-helixtrans-70.5-27.1178-48.80000113S157 L158S157-T161 PolarHBondContact O-N 3.38Å; S157-T161 PolarHBondContact O-OG1 2.8Å; L158-T161 PolarHBondContact O-N 3.11Å
162L52.8Low47.5Very low101 Ų101108 Ų10853%0.52962%0.624SS.*Hα-helixtrans-92.3-15.7-175.3-71.8169.3000115.2T134 L158 R159 K160T134-L162 HydrophobicContact CG2-CB 4.39Å; T134-L162 HydrophobicContact CG2-CD1 4.34Å; L158-L162 WeakPolarHBondContact O-CG 3.26Å; L158-L162 PolarHBondContact O-N 2.78Å; R159-L162 PolarHBondContact O-N 2.85Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.33Å
163Q47Very low46.8Very low146 Ų146108.9 Ų108.968%0.68264%0.637SS**SBendtrans-105.3-1.8-169.7-154.769.658.900115.9R159R159-Q163 PolarHBondContact O-N 2.64Å
164G34.1Very low46.2Very low58 Ų58110.1 Ų110.160%0.59865%0.65SS**  trans112.7125.7161.200000118.1
165L48.2Very low45.5Very low169 Ų169113 Ų11389%0.88567%0.674SS**  trans62.4143.9142.7-61.1171.3000123.1
166S42.2Very low45Very low102 Ų102115.1 Ų115.171%0.71370%0.7SS**  trans64.3104.6158.756.50000119.3
167D34Very low44.5Very low168 Ų168118.1 Ų118.190%0.89872%0.715SS**  -174.4163.8102.8-97.9-27.6000111.5
168A39.2Very low44.5Very low87 Ų87116.1 Ų116.172%0.71970%0.701SS**  trans-70165.8-152.500000118.1
169Q34.1Very low45.2Very low178 Ų178116.4 Ų116.483%0.83271%0.708SS**  trans98.3103.6150.6-76.8178.611.800119.7
170S40.7Very low46.4Very low107 Ų107115.1 Ų115.175%0.74871%0.708SS**  trans80.399.1132-290000118.8
171S33.8Very low47.7Very low109 Ų109109 Ų10976%0.76268%0.684SS**  -168.295.6128.153.30000110.8
172S45.8Very low48.9Very low124 Ų124108.5 Ų108.587%0.86768%0.676SS**  trans28.495.6141.658.70000118.3
173S34.2Very low50.6Low103 Ų103103.8 Ų103.872%0.7265%0.651SS**  trans-131.7109.8148.257.80000107.6S175S173-S175 PolarHBondContact O-N 3.47Å
174S39.9Very low52.3Low118 Ų118100.4 Ų100.483%0.82564%0.638SS**  trans-31.496-179.949.70000113.9S176S174-S176 PolarHBondContact O-N 3.27Å
175S41Very low54.9Low110 Ų11097.7 Ų97.777%0.76961%0.609SS**  trans-78.4107162.1-58.20000106.1S173 S177S173-S175 PolarHBondContact O-N 3.47Å; S175-S177 PolarHBondContact O-N 2.9Å
176S45.1Very low56.7Low118 Ų11893 Ų9383%0.82559%0.589SS**  trans-65.179.1168.1-63.60000108.2S174 S178S174-S176 PolarHBondContact O-N 3.27Å; S176-S178 VanDerWaalsContact C-N 3.35Å; S176-S178 PolarHBondContact O-N 3.43Å
177S45.2Very low58.7Low106 Ų10688.7 Ų88.774%0.74156%0.56SS**  trans-74.393.2177.6-156.80000106.9S175 S179S175-S177 PolarHBondContact O-N 2.9Å; S177-S179 PolarHBondContact O-N 3.24Å
178S55.9Low61Low33 Ų3381.8 Ų81.823%0.23152%0.522CS..PPolyproline II helixtrans-53.8122.3171.854.20000108.5S176 E180 N218S176-S178 VanDerWaalsContact C-N 3.35Å; S176-S178 PolarHBondContact O-N 3.43Å; S178-E180 PolarHBondContact O-N 3.14Å; S178-N218 CarbonylContact C-O 3.54Å; S178-N218 WeakPolarHBondContact CA-O 3Å
179S68.9Low63Low71 Ų7183.9 Ų83.950%0.49751%0.512SS..EExtended strand (participates in β ladder)trans-75.8123-178.7-61.90000109.1S177 N218 L219 T220S177-S179 PolarHBondContact O-N 3.24Å; S179-N218 PolarHBondContact N-O 2.89Å; S179-L219 WeakPolarHBondContact O-CA 3.41Å; S179-T220 PolarHBondContact O-N 3.32Å
180E78.8Confident65.2Low111 Ų11177 Ų7752%0.51949%0.486SS..EExtended strand (participates in β ladder)trans-88.2127.8176.5-65.2-165.8154.700110.3S178 K211 T220S178-E180 PolarHBondContact O-N 3.14Å; E180-K211 IonicContact OE1-NZ 3.59Å; E180-K211 PolarHBondContact OE1-NZ 3.12Å; E180-T220 CarbonylContact C-O 3.49Å; E180-T220 VanDerWaalsContact CA-O 3.31Å; E180-T220 WeakPolarHBondContact CA-O 2.73Å
181I82.3Confident66.8Low54 Ų5475.6 Ų75.628%0.27747%0.468SS..EExtended strand (participates in β ladder)trans-115.9111.7177.1-59.3174.4000108I183 L219 T220 Y221 V222I181-I183 HydrophobicContact CG2-CG1 4.47Å; I181-I183 PolarHBondContact O-N 2.79Å; I181-L219 HydrophobicContact CD1-CD1 4.3Å; I181-L219 HydrophobicContact CD1-CD2 4.21Å; I181-T220 PolarHBondContact N-O 3.35Å; I181-Y221 HydrophobicContact CB-CD1 4.04Å; I181-Y221 HydrophobicContact CB-CE1 4.49Å; I181-Y221 HydrophobicContact CD1-CD1 4.29Å; I181-Y221 HydrophobicContact CD1-CE1 3.89Å; I181-Y221 HydrophobicContact CG2-CD1 4.28Å; I181-Y221 CarbonylContact O-C 3.46Å; I181-Y221 WeakPolarHBondContact O-CA 3.33Å; I181-V222 PolarHBondContact O-N 2.83Å
182L84.5Confident68.6Low106 Ų10673.8 Ų73.856%0.55545%0.453SS*.EExtended strand (participates in β ladder)trans-76.8121.3173.1-173.570.7000109.5L188 V222L182-L188 HydrophobicContact CD1-CD1 4.49Å; L182-L188 HydrophobicContact CD1-CD2 4.09Å; L182-L188 HydrophobicContact CD2-CD1 4.49Å; L182-L188 HydrophobicContact CD2-CD2 3.79Å; L182-L188 HydrophobicContact CG-CD2 3.79Å; L182-V222 HydrophobicContact CD1-CB 4.17Å; L182-V222 HydrophobicContact CD1-CG1 4.11Å
183I87.5Confident69.7Low2 Ų273.5 Ų73.51%0.0144%0.438CS..PPolyproline II helixtrans-94.9132.6178.7-64.4179000109.9I181 T185 L188 Y221 V222 M223 L238 H241I181-I183 HydrophobicContact CG2-CG1 4.47Å; I181-I183 PolarHBondContact O-N 2.79Å; I183-T185 HydrophobicContact CG2-CG2 4.36Å; I183-T185 PolarHBondContact O-N 2.75Å; I183-L188 WeakPolarHBondContact O-CD2 3.28Å; I183-Y221 HydrophobicContact CD1-CD1 3.66Å; I183-Y221 HydrophobicContact CD1-CG 3.95Å; I183-Y221 HydrophobicContact CG1-CD1 4.31Å; I183-V222 PolarHBondContact N-O 2.68Å; I183-M223 HydrophobicContact CB-CE 4.08Å; I183-M223 HydrophobicContact CB-CG 3.72Å; I183-M223 HydrophobicContact CD1-CE 3.2Å; I183-M223 HydrophobicContact CD1-CG 4.19Å; I183-M223 HydrophobicContact CG1-CE 4.2Å; I183-M223 HydrophobicContact CG1-CG 4.39Å; I183-M223 HydrophobicContact CG2-CE 3.88Å; I183-M223 HydrophobicContact CG2-CG 4.12Å; I183-L238 HydrophobicContact CD1-CD2 4.27Å; I183-H241 HydrophobicContact CD1-CB 4.03Å; I183-H241 HydrophobicContact CG1-CB 4.38Å; I183-H241 VanDerWaalsContact CG2-CD2 3.48Å; I183-H241 WeakPolarHBondContact CG2-CD2 3.37Å
184D82.3Confident71.1Confident74 Ų7472.3 Ų72.340%0.39642%0.417SS..PPolyproline II helixtrans-73.3117.3179.3-178.230.3000111.3R189D184-R189 VanDerWaalsContact OD1-CG 3.29Å; D184-R189 WeakPolarHBondContact OD1-CG 3.33Å; D184-R189 IonicContact OD1-CZ 3.82Å; D184-R189 IonicContact OD1-NE 2.89Å; D184-R189 PolarHBondContact OD1-NE 3.25Å; D184-R189 IonicContact OD1-NH2 3.93Å; D184-R189 IonicContact OD2-CZ 3.25Å; D184-R189 VanDerWaalsContact OD2-CZ 3.25Å; D184-R189 IonicContact OD2-NE 3.09Å; D184-R189 PolarHBondContact OD2-NE 2.84Å; D184-R189 VanDerWaalsContact OD2-NE 3.09Å; D184-R189 IonicContact OD2-NH2 2.63Å; D184-R189 PolarHBondContact OD2-NH2 2.87Å
185T88.3Confident72Confident1 Ų172.5 Ų72.51%0.00641%0.414CS..  trans-131.3157.2-178.561.30000110.7I183 A187 L188 R189 M223 K224 M225 Y237I183-T185 HydrophobicContact CG2-CG2 4.36Å; I183-T185 PolarHBondContact O-N 2.75Å; T185-A187 VanDerWaalsContact C-N 3.27Å; T185-A187 PolarHBondContact O-N 3.27Å; T185-L188 WeakPolarHBondContact O-CB 3.49Å; T185-L188 PolarHBondContact O-N 2.74Å; T185-L188 VanDerWaalsContact O-N 3.11Å; T185-L188 WeakPolarHBondContact OG1-CB 3.35Å; T185-L188 PolarHBondContact OG1-N 2.92Å; T185-R189 WeakPolarHBondContact O-CG 3.46Å; T185-R189 PolarHBondContact O-N 3.2Å; T185-M223 HydrophobicContact CG2-CB 4.41Å; T185-M223 HydrophobicContact CG2-CG 4.3Å; T185-K224 VanDerWaalsContact CB-O 3.22Å; T185-K224 WeakPolarHBondContact CB-O 3.26Å; T185-K224 PolarHBondContact OG1-O 2.96Å; T185-M225 HydrophobicContact CG2-CG 4.34Å; T185-Y237 HydrophobicContact CG2-CD2 3.95Å; T185-Y237 HydrophobicContact CG2-CE2 4.15Å; T185-Y237 HydrophobicContact CG2-CG 4.26Å
186P87Confident72.8Confident71 Ų7174.6 Ų74.646%0.46141%0.411SS..Hα-helixtrans-55.8-40.8176.5-25.635.1000113.1R189 A190 Y237P186-R189 PolarHBondContact O-N 2.84Å; P186-A190 WeakPolarHBondContact O-CB 3.37Å; P186-A190 PolarHBondContact O-N 2.87Å; P186-Y237 WeakPolarHBondContact CD-OH 3.45Å; P186-Y237 WeakPolarHBondContact CG-OH 3.29Å
187A83.6Confident73.3Confident11 Ų1176 Ų769%0.09140%0.403CS..Hα-helixtrans-67.8-35178.400000112.5T185 M191 A207T185-A187 VanDerWaalsContact C-N 3.27Å; T185-A187 PolarHBondContact O-N 3.27Å; A187-M191 PolarHBondContact O-N 3.47Å; A187-M191 VanDerWaalsContact O-N 3.15Å; A187-A207 HydrophobicContact CB-CB 4.42Å
188L82.7Confident73.6Confident23 Ų2379.4 Ų79.412%0.1241%0.411CS..Hα-helixtrans-64.9-47.4173.6-178.264.6000111.2L182 I183 T185 A190 M191 T192 K224L182-L188 HydrophobicContact CD1-CD1 4.49Å; L182-L188 HydrophobicContact CD1-CD2 4.09Å; L182-L188 HydrophobicContact CD2-CD1 4.49Å; L182-L188 HydrophobicContact CD2-CD2 3.79Å; L182-L188 HydrophobicContact CG-CD2 3.79Å; I183-L188 WeakPolarHBondContact O-CD2 3.28Å; T185-L188 WeakPolarHBondContact O-CB 3.49Å; T185-L188 PolarHBondContact O-N 2.74Å; T185-L188 VanDerWaalsContact O-N 3.11Å; T185-L188 WeakPolarHBondContact OG1-CB 3.35Å; T185-L188 PolarHBondContact OG1-N 2.92Å; L188-A190 PolarHBondContact O-N 3.47Å; L188-M191 PolarHBondContact O-N 2.82Å; L188-T192 PolarHBondContact O-N 3Å; L188-T192 PolarHBondContact O-OG1 2.76Å; L188-K224 HydrophobicContact CB-CB 4.3Å; L188-K224 HydrophobicContact CD1-CD 4.02Å; L188-K224 HydrophobicContact CD1-CG 4.45Å
189R81.6Confident73.3Confident131 Ų13185 Ų8549%0.49444%0.438SS..Hα-helixtrans-60.2-47.1178.2-65.5176.9-176.1-176.6-2.6112.1D184 T185 P186 M191 T192 E193D184-R189 VanDerWaalsContact OD1-CG 3.29Å; D184-R189 WeakPolarHBondContact OD1-CG 3.33Å; D184-R189 IonicContact OD1-CZ 3.82Å; D184-R189 IonicContact OD1-NE 2.89Å; D184-R189 PolarHBondContact OD1-NE 3.25Å; D184-R189 IonicContact OD1-NH2 3.93Å; D184-R189 IonicContact OD2-CZ 3.25Å; D184-R189 VanDerWaalsContact OD2-CZ 3.25Å; D184-R189 IonicContact OD2-NE 3.09Å; D184-R189 PolarHBondContact OD2-NE 2.84Å; D184-R189 VanDerWaalsContact OD2-NE 3.09Å; D184-R189 IonicContact OD2-NH2 2.63Å; D184-R189 PolarHBondContact OD2-NH2 2.87Å; T185-R189 WeakPolarHBondContact O-CG 3.46Å; T185-R189 PolarHBondContact O-N 3.2Å; P186-R189 PolarHBondContact O-N 2.84Å; R189-M191 VanDerWaalsContact C-N 3.25Å; R189-M191 PolarHBondContact O-N 3.49Å; R189-T192 PolarHBondContact O-N 3.07Å; R189-T192 VanDerWaalsContact O-N 3.15Å; R189-E193 WeakPolarHBondContact O-CG 3.49Å; R189-E193 PolarHBondContact O-N 3.17Å
190A80.2Confident72.5Confident35 Ų3585 Ų8529%0.28944%0.438SS..Hα-helixtrans-61.2-33.2178.400000112.8P186 L188 R194P186-A190 WeakPolarHBondContact O-CB 3.37Å; P186-A190 PolarHBondContact O-N 2.87Å; L188-A190 PolarHBondContact O-N 3.47Å; A190-R194 PolarHBondContact O-N 3.34Å
191M73.3Confident71.3Confident77 Ų7787.8 Ų87.838%0.37946%0.456SS..Hα-helixtrans-69.7-47.6172.1-88.1-169.6158.300112A187 L188 R189 E193 R194 T195 A207 K224A187-M191 PolarHBondContact O-N 3.47Å; A187-M191 VanDerWaalsContact O-N 3.15Å; L188-M191 PolarHBondContact O-N 2.82Å; R189-M191 VanDerWaalsContact C-N 3.25Å; R189-M191 PolarHBondContact O-N 3.49Å; M191-E193 VanDerWaalsContact C-N 3.35Å; M191-E193 PolarHBondContact O-N 3.42Å; M191-R194 WeakPolarHBondContact O-CB 3.2Å; M191-R194 PolarHBondContact O-N 3.34Å; M191-R194 VanDerWaalsContact O-N 3.16Å; M191-T195 PolarHBondContact O-N 3.44Å; M191-T195 PolarHBondContact O-OG1 3.07Å; M191-A207 HydrophobicContact CE-CB 4.43Å; M191-K224 HydrophobicContact SD-CD 3.64Å; M191-K224 PolarHBondContact SD-NZ 2.89Å
192T72.1Confident69.9Low71 Ų7192.6 Ų92.644%0.43648%0.475SS..Hα-helixtrans-62.8-40.6-178.6-58.30000112.1L188 R189 R194 T195 Q196L188-T192 PolarHBondContact O-N 3Å; L188-T192 PolarHBondContact O-OG1 2.76Å; R189-T192 PolarHBondContact O-N 3.07Å; R189-T192 VanDerWaalsContact O-N 3.15Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 2.91Å; T192-T195 PolarHBondContact O-N 3.33Å; T192-Q196 WeakPolarHBondContact O-CG 3.32Å; T192-Q196 PolarHBondContact O-N 2.8Å
193E68.3Low68.5Low117 Ų11792.7 Ų92.755%0.54748%0.482SS..Hα-helixtrans-64.6-33.2175.6-71.6174.8-166.200112.7R189 M191 Q196 K197R189-E193 WeakPolarHBondContact O-CG 3.49Å; R189-E193 PolarHBondContact O-N 3.17Å; M191-E193 VanDerWaalsContact C-N 3.35Å; M191-E193 PolarHBondContact O-N 3.42Å; E193-Q196 PolarHBondContact O-N 3.16Å; E193-K197 PolarHBondContact O-N 2.81Å
194R65.1Low67.2Low78 Ų7896.9 Ų96.929%0.29452%0.517SS..Hα-helixtrans-69.1-42.5174-110.3-170.7-174.3111.2-13.7112.2A190 M191 T192 Q196 K197 K202 P203A190-R194 PolarHBondContact O-N 3.34Å; M191-R194 WeakPolarHBondContact O-CB 3.2Å; M191-R194 PolarHBondContact O-N 3.34Å; M191-R194 VanDerWaalsContact O-N 3.16Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 2.91Å; R194-Q196 PolarHBondContact O-N 3.25Å; R194-K197 CarbonylContact O-C 3.43Å; R194-K197 PolarHBondContact O-N 3.46Å; R194-K197 VanDerWaalsContact O-N 3.09Å; R194-K202 VanDerWaalsContact NH2-C 3.34Å; R194-K202 PolarHBondContact NH2-O 3.28Å; R194-P203 PolarHBondContact NH2-O 2.97Å
195T57.9Low66.3Low122 Ų12299.6 Ų99.675%0.74853%0.528SS*.Hα-helixtrans-62.2-25.9178-50.20000111.8M191 T192M191-T195 PolarHBondContact O-N 3.44Å; M191-T195 PolarHBondContact O-OG1 3.07Å; T192-T195 PolarHBondContact O-N 3.33Å
196Q58Low65.7Low154 Ų154102.4 Ų102.472%0.7255%0.551SS**Hα-helixtrans-87.7-16.2177.1-67.3178.5-300114T192 E193 R194T192-Q196 WeakPolarHBondContact O-CG 3.32Å; T192-Q196 PolarHBondContact O-N 2.8Å; E193-Q196 PolarHBondContact O-N 3.16Å; R194-Q196 PolarHBondContact O-N 3.25Å
197K56Low65.5Low149 Ų149100.7 Ų100.765%0.64854%0.543SS*.  trans-11299.7176-72.6179.7179.3174.80109.2E193 R194 D199E193-K197 PolarHBondContact O-N 2.81Å; R194-K197 CarbonylContact O-C 3.43Å; R194-K197 PolarHBondContact O-N 3.46Å; R194-K197 VanDerWaalsContact O-N 3.09Å; K197-D199 PolarHBondContact O-N 3.39Å
198I51.7Low65.8Low177 Ų177100.3 Ų100.391%0.90854%0.539SS*.SBendtrans-58.8-7.1-176.7-69.5170.4000113.9
199D50.1Low66.1Low150 Ų150100.6 Ų100.680%0.80254%0.542SS*.  trans-136.597.3-173.9-147.3-3000111.2K197K197-D199 PolarHBondContact O-N 3.39Å
200S51.5Low66.5Low70 Ų7094.3 Ų94.349%0.4952%0.518SS..  trans-155.698.6167.1-141.30000111.7K202S200-K202 PolarHBondContact O-N 3.23Å
201D53Low67Low171 Ų17195 Ų9591%0.91452%0.515SS*.  trans-67.122.1175.8-159.727.9000114
202K54.3Low67.8Low154 Ų15491.3 Ų91.367%0.6750%0.496SS*.SBendtrans-89.7132.6-177.3-151.2173.1-168.7178.50107.9R194 S200 A204R194-K202 VanDerWaalsContact NH2-C 3.34Å; R194-K202 PolarHBondContact NH2-O 3.28Å; S200-K202 PolarHBondContact O-N 3.23Å; K202-A204 PolarHBondContact O-N 3.12Å
203P54.6Low68.6Low108 Ų10888.1 Ų88.170%0.70148%0.477SS*.  trans-56.4139-176.519.5-30.6000111.1R194 Q205R194-P203 PolarHBondContact NH2-O 2.97Å; P203-Q205 PolarHBondContact O-N 3.31Å; P203-Q205 VanDerWaalsContact O-N 3.09Å
204A59.9Low69.5Low91 Ų9182.7 Ų82.775%0.75245%0.451SS*.  trans-58.8115.5174.500000107.9K202 A206K202-A204 PolarHBondContact O-N 3.12Å; A204-A206 PolarHBondContact O-N 2.81Å
205Q63.9Low70.5Confident131 Ų13180.6 Ų80.661%0.61245%0.445SS*.  trans-62127.7170.2-78.9175.1-19.900107P203 A207P203-Q205 PolarHBondContact O-N 3.31Å; P203-Q205 VanDerWaalsContact O-N 3.09Å; Q205-A207 PolarHBondContact O-N 3.36Å
206A75.6Confident71.3Confident60 Ų6079.2 Ų79.250%0.49643%0.433SS..  trans-63.1100.9178.500000108.7A204 L227A204-A206 PolarHBondContact O-N 2.81Å; A206-L227 HydrophobicContact CB-CD1 3.57Å; A206-L227 HydrophobicContact CB-CG 4.16Å; A206-L227 PolarHBondContact O-N 3.11Å; A206-L227 VanDerWaalsContact O-N 3.16Å
207A82.9Confident71.9Confident35 Ų3572.4 Ų72.429%0.28940%0.404SS..EExtended strand (participates in β ladder)trans-111.1142.6178.900000109.4A187 M191 Q205 M225A187-A207 HydrophobicContact CB-CB 4.42Å; M191-A207 HydrophobicContact CE-CB 4.43Å; Q205-A207 PolarHBondContact O-N 3.36Å; A207-M225 CarbonylContact C-O 3.47Å; A207-M225 WeakPolarHBondContact CA-O 3.49Å
208V88.4Confident72.8Confident2 Ų269.9 Ų69.91%0.01240%0.398CS..EExtended strand (participates in β ladder)trans-111.3144.4179.4-66.80000110.3L210 K224 M225 L227 L267 L272V208-L210 HydrophobicContact CG2-CD2 4.31Å; V208-L210 HydrophobicContact CG2-CG 4.32Å; V208-K224 CarbonylContact O-C 3.55Å; V208-K224 VanDerWaalsContact O-CA 3.3Å; V208-K224 WeakPolarHBondContact O-CA 3.4Å; V208-M225 WeakPolarHBondContact CG2-O 3.04Å; V208-M225 PolarHBondContact N-O 3.18Å; V208-M225 PolarHBondContact O-N 2.83Å; V208-L227 HydrophobicContact CG1-CD2 3.34Å; V208-L227 HydrophobicContact CG1-CG 4.1Å; V208-L227 HydrophobicContact CG2-CD2 4.41Å; V208-L267 HydrophobicContact CG2-CD1 3.91Å; V208-L272 WeakPolarHBondContact CG1-O 3.41Å
209T89.4Confident74.3Confident29 Ų2964 Ų6418%0.17837%0.368CS..EExtended strand (participates in β ladder)trans-99.5114.7173.8-46.20000108.7V222 M223 K224 N275 V276T209-V222 HydrophobicContact CG2-CG1 3.9Å; T209-M223 CarbonylContact C-O 3.59Å; T209-M223 WeakPolarHBondContact CA-O 3.49Å; T209-K224 HydrophobicContact CG2-CG 4.24Å; T209-N275 WeakPolarHBondContact CB-OD1 3.3Å; T209-N275 VanDerWaalsContact O-CA 3.32Å; T209-N275 WeakPolarHBondContact O-CA 3.27Å; T209-N275 PolarHBondContact OG1-OD1 3.37Å; T209-V276 PolarHBondContact O-N 3.1Å
210L90.7Very high76Confident0 Ų056.8 Ų56.80%033%0.33CS..EExtended strand (participates in β ladder)trans-101.5126177.2-57.1175.2000109.1V208 L212 V222 M223 M225 L234 L267 L272 V276 L278V208-L210 HydrophobicContact CG2-CD2 4.31Å; V208-L210 HydrophobicContact CG2-CG 4.32Å; L210-L212 HydrophobicContact CB-CD1 3.87Å; L210-V222 WeakPolarHBondContact O-CA 3.29Å; L210-M223 HydrophobicContact CB-CB 4.45Å; L210-M223 PolarHBondContact N-O 3.37Å; L210-M223 PolarHBondContact O-N 2.82Å; L210-M225 HydrophobicContact CD1-SD 3.99Å; L210-L234 HydrophobicContact CD1-CD1 3.91Å; L210-L234 HydrophobicContact CD1-CD2 4.14Å; L210-L267 HydrophobicContact CD1-CD1 3.99Å; L210-L267 HydrophobicContact CD1-CD2 4.17Å; L210-L272 HydrophobicContact CD2-CB 4.47Å; L210-V276 WeakPolarHBondContact CA-O 3.49Å; L210-V276 HydrophobicContact CD2-CB 4.29Å; L210-V276 HydrophobicContact CD2-CG1 4.33Å; L210-L278 HydrophobicContact CD2-CD1 4.5Å
211K90.1Very high77.7Confident48 Ų4854.3 Ų54.321%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-104108.4169.1-67-165175.1-158.20108.7E21 E180 T220 Y221 V222 V276 T277 L278E21-K211 VanDerWaalsContact CD-NZ 3.35Å; E21-K211 IonicContact OE1-NZ 2.7Å; E21-K211 IonicContact OE2-NZ 3.34Å; E21-K211 PolarHBondContact OE2-NZ 2.97Å; E180-K211 IonicContact OE1-NZ 3.59Å; E180-K211 PolarHBondContact OE1-NZ 3.12Å; K211-T220 HydrophobicContact CB-CG2 4.01Å; K211-T220 HydrophobicContact CD-CG2 4.45Å; K211-T220 HydrophobicContact CG-CG2 4.48Å; K211-Y221 CarbonylContact C-O 3.58Å; K211-Y221 WeakPolarHBondContact CA-O 3.48Å; K211-V222 HydrophobicContact CG-CG2 4.34Å; K211-V276 PolarHBondContact N-O 2.93Å; K211-T277 HydrophobicContact CB-CG2 4.34Å; K211-T277 CarbonylContact O-C 3.59Å; K211-T277 VanDerWaalsContact O-CA 3.29Å; K211-T277 WeakPolarHBondContact O-CA 3.38Å; K211-L278 PolarHBondContact O-N 3.13Å
212L90.8Very high79.4Confident0 Ų047 Ų470%027%0.271CS..EExtended strand (participates in β ladder)trans-103.2114.1179.6-62101.1000110.5L210 T220 Y221 M223 L234 L238 I251 L278 L280L210-L212 HydrophobicContact CB-CD1 3.87Å; L212-T220 CarbonylContact O-C 3.49Å; L212-T220 WeakPolarHBondContact O-CA 3.24Å; L212-Y221 PolarHBondContact N-O 3.45Å; L212-Y221 WeakPolarHBondContact O-CD2 3.28Å; L212-Y221 PolarHBondContact O-N 3.02Å; L212-M223 HydrophobicContact CD1-CG 4.46Å; L212-M223 HydrophobicContact CD1-SD 4.24Å; L212-L234 HydrophobicContact CD1-CD1 3.89Å; L212-L234 HydrophobicContact CD2-CD1 4.05Å; L212-L234 HydrophobicContact CD2-CD2 4.37Å; L212-L234 HydrophobicContact CD2-CG 4.45Å; L212-L238 HydrophobicContact CB-CD2 4.27Å; L212-L238 HydrophobicContact CD1-CD2 4.39Å; L212-L238 HydrophobicContact CD2-CD1 3.65Å; L212-L238 HydrophobicContact CD2-CD2 4.16Å; L212-L238 HydrophobicContact CD2-CG 4.36Å; L212-I251 HydrophobicContact CD2-CD1 4.44Å; L212-I251 HydrophobicContact CD2-CG2 4.22Å; L212-L278 WeakPolarHBondContact CA-O 3.27Å; L212-L278 HydrophobicContact CD2-CB 4.35Å; L212-L278 HydrophobicContact CD2-CD1 4.32Å; L212-L278 HydrophobicContact CG-CB 4.23Å; L212-L280 HydrophobicContact CD2-CD2 4.01Å
213K88.8Confident81.2Confident4 Ų439.7 Ų39.72%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-86.5130.9177.6-52.2-149.6178.6-139.60109.8V15 L16 E21 L219 T220 T277 L278 L280V15-K213 HydrophobicContact CG1-CD 3.38Å; V15-K213 WeakPolarHBondContact O-CE 3.37Å; V15-K213 PolarHBondContact O-NZ 2.8Å; L16-K213 HydrophobicContact CD2-CB 3.96Å; L16-K213 HydrophobicContact CD2-CD 3.8Å; L16-K213 HydrophobicContact CD2-CG 3.78Å; L16-K213 HydrophobicContact CG-CD 4.47Å; E21-K213 IonicContact OE1-NZ 3.64Å; E21-K213 PolarHBondContact OE1-NZ 2.98Å; K213-L219 WeakPolarHBondContact CA-O 3.44Å; K213-T220 HydrophobicContact CG-CG2 4.32Å; K213-T277 HydrophobicContact CD-CG2 4.22Å; K213-T277 HydrophobicContact CG-CG2 4.04Å; K213-L278 PolarHBondContact N-O 2.94Å; K213-L280 WeakPolarHBondContact O-CG 3.34Å; K213-L280 PolarHBondContact O-N 3.13Å
214S87.1Confident82.7Confident3 Ų337.5 Ų37.52%0.02122%0.219CC..  trans-59.8166.2177.754.30000112.1D216 G217 N218 L219S214-D216 VanDerWaalsContact CB-OD1 3.28Å; S214-D216 WeakPolarHBondContact CB-OD1 3.33Å; S214-D216 PolarHBondContact O-N 3.45Å; S214-D216 PolarHBondContact OG-OD1 3.21Å; S214-G217 PolarHBondContact O-N 3.29Å; S214-N218 PolarHBondContact OG-N 3.03Å; S214-L219 PolarHBondContact N-O 3.21Å; S214-L219 PolarHBondContact OG-N 2.88Å; S214-L219 PolarHBondContact OG-O 3.15Å; S214-L219 VanDerWaalsContact OG-O 3.13Å
215E85.3Confident84.3Confident34 Ų3433.1 Ų33.116%0.15918%0.183CC..THydrogen-bonded Turntrans-57.4-36.6-177.9-65.982.6170.300112.8R242 Y249 R279 L280 Q282E215-R242 IonicContact OE1-CZ 3.63Å; E215-R242 IonicContact OE1-NH1 3.05Å; E215-R242 PolarHBondContact OE1-NH1 3Å; E215-R242 IonicContact OE1-NH2 3.57Å; E215-R242 PolarHBondContact OE1-NH2 2.92Å; E215-R242 IonicContact OE2-CZ 3.13Å; E215-R242 IonicContact OE2-NH1 2.7Å; E215-R242 IonicContact OE2-NH2 2.72Å; E215-R242 PolarHBondContact OE2-NH2 2.86Å; E215-Y249 WeakPolarHBondContact OE1-CB 3.25Å; E215-R279 PolarHBondContact O-NH2 3.43Å; E215-L280 WeakPolarHBondContact CA-O 3.49Å; E215-L280 HydrophobicContact CG-CB 4.08Å; E215-Q282 HydrophobicContact CG-CB 4.21Å
216D74.7Confident85.6Confident94 Ų9428 Ų2850%0.50316%0.162SC..THydrogen-bonded Turntrans-86.5-6.2178.567.8-11000113.6S214 N218S214-D216 VanDerWaalsContact CB-OD1 3.28Å; S214-D216 WeakPolarHBondContact CB-OD1 3.33Å; S214-D216 PolarHBondContact O-N 3.45Å; S214-D216 PolarHBondContact OG-OD1 3.21Å; D216-N218 VanDerWaalsContact CG-ND2 3.26Å; D216-N218 PolarHBondContact O-N 2.89Å; D216-N218 PolarHBondContact OD1-N 3.09Å; D216-N218 VanDerWaalsContact OD1-N 3.15Å; D216-N218 PolarHBondContact OD2-ND2 3.49Å
217G70.8Confident86.2Confident11 Ų1126.4 Ų26.411%0.11315%0.145CC..SBendtrans71.62.1-178.800000115.3S214S214-G217 PolarHBondContact O-N 3.29Å
218N75.8Confident86.6Confident95 Ų9528.7 Ų28.751%0.50816%0.158SC..SBendtrans-82.4-28-174.9-67.1-41.4000113.1S178 S179 S214 D216S178-N218 CarbonylContact C-O 3.54Å; S178-N218 WeakPolarHBondContact CA-O 3Å; S179-N218 PolarHBondContact N-O 2.89Å; S214-N218 PolarHBondContact OG-N 3.03Å; D216-N218 VanDerWaalsContact CG-ND2 3.26Å; D216-N218 PolarHBondContact O-N 2.89Å; D216-N218 PolarHBondContact OD1-N 3.09Å; D216-N218 VanDerWaalsContact OD1-N 3.15Å; D216-N218 PolarHBondContact OD2-ND2 3.49Å
219L82.4Confident86.8Confident53 Ų5329.4 Ų29.428%0.27716%0.161SC..EExtended strand (participates in β ladder)trans-114.8137.3-178.1-59.2177.3000110.1S179 I181 K213 S214S179-L219 WeakPolarHBondContact O-CA 3.41Å; I181-L219 HydrophobicContact CD1-CD1 4.3Å; I181-L219 HydrophobicContact CD1-CD2 4.21Å; K213-L219 WeakPolarHBondContact CA-O 3.44Å; S214-L219 PolarHBondContact N-O 3.21Å; S214-L219 PolarHBondContact OG-N 2.88Å; S214-L219 PolarHBondContact OG-O 3.15Å; S214-L219 VanDerWaalsContact OG-O 3.13Å
220T86.4Confident87Confident0 Ų029.7 Ų29.70%016%0.163CC..EExtended strand (participates in β ladder)trans-117.9112.2169.9-62.10000108.9S179 E180 I181 K211 L212 K213 V222S179-T220 PolarHBondContact O-N 3.32Å; E180-T220 CarbonylContact C-O 3.49Å; E180-T220 VanDerWaalsContact CA-O 3.31Å; E180-T220 WeakPolarHBondContact CA-O 2.73Å; I181-T220 PolarHBondContact N-O 3.35Å; K211-T220 HydrophobicContact CB-CG2 4.01Å; K211-T220 HydrophobicContact CD-CG2 4.45Å; K211-T220 HydrophobicContact CG-CG2 4.48Å; L212-T220 CarbonylContact O-C 3.49Å; L212-T220 WeakPolarHBondContact O-CA 3.24Å; K213-T220 HydrophobicContact CG-CG2 4.32Å; T220-V222 HydrophobicContact CG2-CG2 4.32Å
221Y87.9Confident87.1Confident18 Ų1829.7 Ų29.77%0.07116%0.163CC..EExtended strand (participates in β ladder)trans-82.7119.8173.2-56.3-75.8000109.6I181 I183 K211 L212 L238 R242 L280I181-Y221 HydrophobicContact CB-CD1 4.04Å; I181-Y221 HydrophobicContact CB-CE1 4.49Å; I181-Y221 HydrophobicContact CD1-CD1 4.29Å; I181-Y221 HydrophobicContact CD1-CE1 3.89Å; I181-Y221 HydrophobicContact CG2-CD1 4.28Å; I181-Y221 CarbonylContact O-C 3.46Å; I181-Y221 WeakPolarHBondContact O-CA 3.33Å; I183-Y221 HydrophobicContact CD1-CD1 3.66Å; I183-Y221 HydrophobicContact CD1-CG 3.95Å; I183-Y221 HydrophobicContact CG1-CD1 4.31Å; K211-Y221 CarbonylContact C-O 3.58Å; K211-Y221 WeakPolarHBondContact CA-O 3.48Å; L212-Y221 PolarHBondContact N-O 3.45Å; L212-Y221 WeakPolarHBondContact O-CD2 3.28Å; L212-Y221 PolarHBondContact O-N 3.02Å; Y221-L238 HydrophobicContact CD2-CD2 3.94Å; Y221-L238 HydrophobicContact CG-CD2 4.03Å; Y221-R242 HydrophobicContact CE2-CG 4.48Å; Y221-L280 HydrophobicContact CD2-CD1 4.47Å; Y221-L280 HydrophobicContact CE2-CD1 4.29Å
222V88.6Confident87.2Confident18 Ų1828.3 Ų28.311%0.10916%0.163CC..EExtended strand (participates in β ladder)trans-102.4120.3177.8-174.80000108.6I181 L182 I183 T209 L210 K211 T220I181-V222 PolarHBondContact O-N 2.83Å; L182-V222 HydrophobicContact CD1-CB 4.17Å; L182-V222 HydrophobicContact CD1-CG1 4.11Å; I183-V222 PolarHBondContact N-O 2.68Å; T209-V222 HydrophobicContact CG2-CG1 3.9Å; L210-V222 WeakPolarHBondContact O-CA 3.29Å; K211-V222 HydrophobicContact CG-CG2 4.34Å; T220-V222 HydrophobicContact CG2-CG2 4.32Å
223M90.3Very high87.4Confident0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-123.1139.9178.3-75.9-175.3-169.200110.6I183 T185 T209 L210 L212 M225 L234 Y237 L238I183-M223 HydrophobicContact CB-CE 4.08Å; I183-M223 HydrophobicContact CB-CG 3.72Å; I183-M223 HydrophobicContact CD1-CE 3.2Å; I183-M223 HydrophobicContact CD1-CG 4.19Å; I183-M223 HydrophobicContact CG1-CE 4.2Å; I183-M223 HydrophobicContact CG1-CG 4.39Å; I183-M223 HydrophobicContact CG2-CE 3.88Å; I183-M223 HydrophobicContact CG2-CG 4.12Å; T185-M223 HydrophobicContact CG2-CB 4.41Å; T185-M223 HydrophobicContact CG2-CG 4.3Å; T209-M223 CarbonylContact C-O 3.59Å; T209-M223 WeakPolarHBondContact CA-O 3.49Å; L210-M223 HydrophobicContact CB-CB 4.45Å; L210-M223 PolarHBondContact N-O 3.37Å; L210-M223 PolarHBondContact O-N 2.82Å; L212-M223 HydrophobicContact CD1-CG 4.46Å; L212-M223 HydrophobicContact CD1-SD 4.24Å; M223-M225 HydrophobicContact CB-CG 4.36Å; M223-M225 HydrophobicContact SD-SD 4.03Å; M223-L234 HydrophobicContact CE-CD1 4.3Å; M223-L234 HydrophobicContact SD-CD1 3.44Å; M223-L234 WeakPolarHBondContact SD-CD1 3.46Å; M223-Y237 VanDerWaalsContact CE-CB 3.44Å; M223-Y237 HydrophobicContact SD-CD2 4.38Å; M223-L238 HydrophobicContact CE-CB 4.22Å; M223-L238 HydrophobicContact CE-CD2 3.55Å; M223-L238 HydrophobicContact CE-CG 3.52Å
224K88Confident87.6Confident61 Ų6131.9 Ų31.927%0.26518%0.18SC..EExtended strand (participates in β ladder)trans-104.2127.2162.3-73.1-170.6173.6179.80109.1T185 L188 M191 V208 T209T185-K224 VanDerWaalsContact CB-O 3.22Å; T185-K224 WeakPolarHBondContact CB-O 3.26Å; T185-K224 PolarHBondContact OG1-O 2.96Å; L188-K224 HydrophobicContact CB-CB 4.3Å; L188-K224 HydrophobicContact CD1-CD 4.02Å; L188-K224 HydrophobicContact CD1-CG 4.45Å; M191-K224 HydrophobicContact SD-CD 3.64Å; M191-K224 PolarHBondContact SD-NZ 2.89Å; V208-K224 CarbonylContact O-C 3.55Å; V208-K224 VanDerWaalsContact O-CA 3.3Å; V208-K224 WeakPolarHBondContact O-CA 3.4Å; T209-K224 HydrophobicContact CG2-CG 4.24Å
225M92.3Very high87.9Confident0 Ų032.8 Ų32.80%018%0.183CC..EExtended strand (participates in β ladder)trans-135.7152.6-177.8-69.2-177.871.500110.5T185 A207 V208 L210 M223 E229 Q233 L234 Y237 L267T185-M225 HydrophobicContact CG2-CG 4.34Å; A207-M225 CarbonylContact C-O 3.47Å; A207-M225 WeakPolarHBondContact CA-O 3.49Å; V208-M225 WeakPolarHBondContact CG2-O 3.04Å; V208-M225 PolarHBondContact N-O 3.18Å; V208-M225 PolarHBondContact O-N 2.83Å; L210-M225 HydrophobicContact CD1-SD 3.99Å; M223-M225 HydrophobicContact CB-CG 4.36Å; M223-M225 HydrophobicContact SD-SD 4.03Å; M225-E229 WeakPolarHBondContact CA-OE2 3.41Å; M225-E229 VanDerWaalsContact CB-OE2 3.31Å; M225-E229 WeakPolarHBondContact CB-OE2 3.02Å; M225-E229 HydrophobicContact CE-CB 3.75Å; M225-E229 HydrophobicContact CE-CG 4.4Å; M225-Q233 HydrophobicContact CE-CB 4.21Å; M225-L234 HydrophobicContact CE-CB 3.9Å; M225-L234 HydrophobicContact SD-CB 3.93Å; M225-L234 HydrophobicContact SD-CD1 3.69Å; M225-L234 HydrophobicContact SD-CG 4.4Å; M225-Y237 HydrophobicContact CE-CD2 3.72Å; M225-Y237 HydrophobicContact CE-CE2 3.53Å; M225-Y237 HydrophobicContact CG-CD2 4.49Å; M225-Y237 HydrophobicContact CG-CE2 4.39Å; M225-Y237 HydrophobicContact SD-CD2 3.95Å; M225-Y237 HydrophobicContact SD-CE2 4.2Å; M225-L267 HydrophobicContact CB-CD1 3.56Å; M225-L267 HydrophobicContact CE-CD1 4.17Å; M225-L267 HydrophobicContact CG-CD1 4.46Å; M225-L267 HydrophobicContact SD-CD1 4.19Å
226S90.7Very high88.1Confident24 Ų2433.9 Ų33.917%0.16820%0.197CC..EExtended strand (participates in β ladder)trans-72.3145.5171.6176.90000110.4S228 E229S226-S228 PolarHBondContact O-N 2.95Å; S226-S228 VanDerWaalsContact O-N 3.1Å; S226-S228 PolarHBondContact OG-N 3.4Å; S226-S228 PolarHBondContact OG-OG 2.97Å; S226-E229 PolarHBondContact N-OE2 3.28Å; S226-E229 WeakPolarHBondContact O-CB 3.34Å; S226-E229 PolarHBondContact O-N 2.7Å
227L89.7Confident89Confident26 Ų2631.5 Ų31.514%0.13618%0.182CC..THydrogen-bonded Turntrans-56-26.3173.7-75.8-177.9000114A206 V208 E268 L272A206-L227 HydrophobicContact CB-CD1 3.57Å; A206-L227 HydrophobicContact CB-CG 4.16Å; A206-L227 PolarHBondContact O-N 3.11Å; A206-L227 VanDerWaalsContact O-N 3.16Å; V208-L227 HydrophobicContact CG1-CD2 3.34Å; V208-L227 HydrophobicContact CG1-CG 4.1Å; V208-L227 HydrophobicContact CG2-CD2 4.41Å; L227-E268 HydrophobicContact CB-CB 4.16Å; L227-E268 HydrophobicContact CD2-CB 4.46Å; L227-E268 WeakPolarHBondContact O-CB 3.08Å; L227-E268 PolarHBondContact O-N 3.3Å; L227-E268 VanDerWaalsContact O-N 3.1Å; L227-L272 WeakPolarHBondContact CD2-O 3.5Å
228S90.3Very high89.9Confident83 Ų8331 Ų3158%0.5818%0.176SC*.THydrogen-bonded Turntrans-80.2-13.6177.764.40000114.2S226S226-S228 PolarHBondContact O-N 2.95Å; S226-S228 VanDerWaalsContact O-N 3.1Å; S226-S228 PolarHBondContact OG-N 3.4Å; S226-S228 PolarHBondContact OG-OG 2.97Å
229E92.8Very high90.6Very high16 Ų1630 Ų308%0.07517%0.171CC..SBendtrans-71.3156.3177.1-73.9-178.8104.100110.8M225 S226 Y237 T266 L267M225-E229 WeakPolarHBondContact CA-OE2 3.41Å; M225-E229 VanDerWaalsContact CB-OE2 3.31Å; M225-E229 WeakPolarHBondContact CB-OE2 3.02Å; M225-E229 HydrophobicContact CE-CB 3.75Å; M225-E229 HydrophobicContact CE-CG 4.4Å; S226-E229 PolarHBondContact N-OE2 3.28Å; S226-E229 WeakPolarHBondContact O-CB 3.34Å; S226-E229 PolarHBondContact O-N 2.7Å; E229-Y237 WeakPolarHBondContact OE1-CE2 3.43Å; E229-Y237 PolarHBondContact OE1-OH 2.83Å; E229-T266 CarbonylContact O-C 3.53Å; E229-T266 VanDerWaalsContact O-CA 3.26Å; E229-T266 WeakPolarHBondContact O-CA 3.34Å; E229-L267 WeakPolarHBondContact O-CG 3.43Å; E229-L267 PolarHBondContact O-N 2.8Å
230T94.4Very high90.8Very high35 Ų3535.5 Ų35.522%0.21519%0.193CC..BIsolated β-bridgetrans-100162.5-175.672.90000113.5G232 Q233 L234 D263 R265T230-G232 PolarHBondContact O-N 2.76Å; T230-G232 PolarHBondContact OG1-N 3.03Å; T230-Q233 WeakPolarHBondContact O-CB 3.24Å; T230-Q233 PolarHBondContact O-N 2.79Å; T230-Q233 VanDerWaalsContact O-N 3.14Å; T230-Q233 PolarHBondContact OG1-N 3.14Å; T230-L234 PolarHBondContact O-N 3.38Å; T230-L234 VanDerWaalsContact O-N 3.08Å; T230-D263 VanDerWaalsContact CB-O 3.29Å; T230-D263 WeakPolarHBondContact CB-O 3.45Å; T230-D263 PolarHBondContact OG1-O 3.06Å; T230-R265 CarbonylContact C-O 3.54Å; T230-R265 VanDerWaalsContact CA-O 3.22Å; T230-R265 WeakPolarHBondContact CA-O 3.39Å; T230-R265 WeakPolarHBondContact CB-O 3.41Å
231V92.9Very high90.7Very high0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-61-32.7172.6-177.80000111.3L234 R235 F260 D262 R265V231-L234 WeakPolarHBondContact O-CB 3.13Å; V231-L234 PolarHBondContact O-N 3.31Å; V231-R235 PolarHBondContact O-N 2.96Å; V231-F260 HydrophobicContact CG1-CB 4.06Å; V231-F260 HydrophobicContact CG2-CB 4.36Å; V231-D262 WeakPolarHBondContact CB-O 3.36Å; V231-R265 PolarHBondContact N-O 3.45Å
232G92.3Very high90.4Very high19 Ų1939.9 Ų39.920%0.19621%0.213CC..Hα-helixtrans-63.1-39.9173.700000112.8T230 R235 A236 D263T230-G232 PolarHBondContact O-N 2.76Å; T230-G232 PolarHBondContact OG1-N 3.03Å; G232-R235 PolarHBondContact O-N 3Å; G232-A236 PolarHBondContact O-N 3.4Å; G232-D263 PolarHBondContact N-O 3.12Å
233Q93.5Very high89.6Confident79 Ų7941 Ų4137%0.36923%0.228SC..Hα-helixtrans-66.8-40.7174.2-69.6172.1-38.500111.7M225 T230 R235 A236 Y237M225-Q233 HydrophobicContact CE-CB 4.21Å; T230-Q233 WeakPolarHBondContact O-CB 3.24Å; T230-Q233 PolarHBondContact O-N 2.79Å; T230-Q233 VanDerWaalsContact O-N 3.14Å; T230-Q233 PolarHBondContact OG1-N 3.14Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.09Å; Q233-A236 PolarHBondContact O-N 3.37Å; Q233-Y237 HydrophobicContact CB-CE2 4.31Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.47Å; Q233-Y237 PolarHBondContact O-N 2.88Å
234L93.1Very high88.7Confident1 Ų146.6 Ų46.61%0.00527%0.274CS..Hα-helixtrans-55.1-46.8172.817061.7000111.4L210 L212 M223 M225 T230 V231 Y237 L238 I251 L267 L278L210-L234 HydrophobicContact CD1-CD1 3.91Å; L210-L234 HydrophobicContact CD1-CD2 4.14Å; L212-L234 HydrophobicContact CD1-CD1 3.89Å; L212-L234 HydrophobicContact CD2-CD1 4.05Å; L212-L234 HydrophobicContact CD2-CD2 4.37Å; L212-L234 HydrophobicContact CD2-CG 4.45Å; M223-L234 HydrophobicContact CE-CD1 4.3Å; M223-L234 HydrophobicContact SD-CD1 3.44Å; M223-L234 WeakPolarHBondContact SD-CD1 3.46Å; M225-L234 HydrophobicContact CE-CB 3.9Å; M225-L234 HydrophobicContact SD-CB 3.93Å; M225-L234 HydrophobicContact SD-CD1 3.69Å; M225-L234 HydrophobicContact SD-CG 4.4Å; T230-L234 PolarHBondContact O-N 3.38Å; T230-L234 VanDerWaalsContact O-N 3.08Å; V231-L234 WeakPolarHBondContact O-CB 3.13Å; V231-L234 PolarHBondContact O-N 3.31Å; L234-Y237 PolarHBondContact O-N 3.05Å; L234-L238 HydrophobicContact CD1-CD1 4.49Å; L234-L238 HydrophobicContact CG-CD1 4.48Å; L234-L238 WeakPolarHBondContact O-CG 3.25Å; L234-L238 PolarHBondContact O-N 3.25Å; L234-L238 VanDerWaalsContact O-N 3.13Å; L234-I251 HydrophobicContact CD2-CD1 3.82Å; L234-I251 HydrophobicContact CG-CD1 4.08Å; L234-L267 HydrophobicContact CD2-CD2 4.33Å; L234-L278 HydrophobicContact CD2-CD1 4.46Å
235R92.9Very high87.8Confident22 Ų2247.6 Ų47.68%0.08330%0.301CS..Hα-helixtrans-63.9-43.9175.5-70.1-167.6-166.8106.4-10.3112.5V231 G232 Q233 Y237 L238 D239 Y249 I251 F260 G261 D263V231-R235 PolarHBondContact O-N 2.96Å; G232-R235 PolarHBondContact O-N 3Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.09Å; R235-Y237 VanDerWaalsContact C-N 3.28Å; R235-Y237 PolarHBondContact O-N 3.02Å; R235-L238 WeakPolarHBondContact O-CB 3.33Å; R235-L238 PolarHBondContact O-N 3.22Å; R235-L238 VanDerWaalsContact O-N 3.07Å; R235-D239 WeakPolarHBondContact O-CB 3.49Å; R235-D239 PolarHBondContact O-N 3.34Å; R235-Y249 HydrophobicContact CG-CE2 4.3Å; R235-I251 HydrophobicContact CG-CD1 3.83Å; R235-F260 PolarHBondContact NH2-O 2.95Å; R235-G261 PolarHBondContact NH2-O 2.89Å; R235-D263 IonicContact CZ-OD1 3.88Å; R235-D263 IonicContact NH1-OD1 3.2Å; R235-D263 PolarHBondContact NH1-OD1 2.89Å; R235-D263 IonicContact NH1-OD2 3.42Å; R235-D263 PolarHBondContact NH1-OD2 3.33Å; R235-D263 IonicContact NH2-OD1 2.79Å
236A91.2Very high86.9Confident57 Ų5752.7 Ų52.747%0.47133%0.325SS..Hα-helixtrans-58.3-40.2177.700000112.5G232 Q233 K240G232-A236 PolarHBondContact O-N 3.4Å; Q233-A236 PolarHBondContact O-N 3.37Å; A236-K240 WeakPolarHBondContact O-CB 3.4Å; A236-K240 PolarHBondContact O-N 3.27Å; A236-K240 VanDerWaalsContact O-N 3.15Å
237Y91.7Very high86.4Confident44 Ų4453.9 Ų53.917%0.17333%0.332CS..Hα-helixtrans-66.9-39175.1-62.4-41.6000112.5T185 P186 M223 M225 E229 Q233 L234 R235T185-Y237 HydrophobicContact CG2-CD2 3.95Å; T185-Y237 HydrophobicContact CG2-CE2 4.15Å; T185-Y237 HydrophobicContact CG2-CG 4.26Å; P186-Y237 WeakPolarHBondContact CD-OH 3.45Å; P186-Y237 WeakPolarHBondContact CG-OH 3.29Å; M223-Y237 VanDerWaalsContact CE-CB 3.44Å; M223-Y237 HydrophobicContact SD-CD2 4.38Å; M225-Y237 HydrophobicContact CE-CD2 3.72Å; M225-Y237 HydrophobicContact CE-CE2 3.53Å; M225-Y237 HydrophobicContact CG-CD2 4.49Å; M225-Y237 HydrophobicContact CG-CE2 4.39Å; M225-Y237 HydrophobicContact SD-CD2 3.95Å; M225-Y237 HydrophobicContact SD-CE2 4.2Å; E229-Y237 WeakPolarHBondContact OE1-CE2 3.43Å; E229-Y237 PolarHBondContact OE1-OH 2.83Å; Q233-Y237 HydrophobicContact CB-CE2 4.31Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.47Å; Q233-Y237 PolarHBondContact O-N 2.88Å; L234-Y237 PolarHBondContact O-N 3.05Å; R235-Y237 VanDerWaalsContact C-N 3.28Å; R235-Y237 PolarHBondContact O-N 3.02Å
238L90.6Very high86.2Confident0 Ų055.1 Ų55.10%035%0.347CS..Hα-helixtrans-64.9-51.2175.7-73.2165.9000110.7I183 L212 Y221 M223 L234 R235 K240 H241 R242 Y249 I251 L280I183-L238 HydrophobicContact CD1-CD2 4.27Å; L212-L238 HydrophobicContact CB-CD2 4.27Å; L212-L238 HydrophobicContact CD1-CD2 4.39Å; L212-L238 HydrophobicContact CD2-CD1 3.65Å; L212-L238 HydrophobicContact CD2-CD2 4.16Å; L212-L238 HydrophobicContact CD2-CG 4.36Å; Y221-L238 HydrophobicContact CD2-CD2 3.94Å; Y221-L238 HydrophobicContact CG-CD2 4.03Å; M223-L238 HydrophobicContact CE-CB 4.22Å; M223-L238 HydrophobicContact CE-CD2 3.55Å; M223-L238 HydrophobicContact CE-CG 3.52Å; L234-L238 HydrophobicContact CD1-CD1 4.49Å; L234-L238 HydrophobicContact CG-CD1 4.48Å; L234-L238 WeakPolarHBondContact O-CG 3.25Å; L234-L238 PolarHBondContact O-N 3.25Å; L234-L238 VanDerWaalsContact O-N 3.13Å; R235-L238 WeakPolarHBondContact O-CB 3.33Å; R235-L238 PolarHBondContact O-N 3.22Å; R235-L238 VanDerWaalsContact O-N 3.07Å; L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 3.26Å; L238-H241 CarbonylContact O-C 3.54Å; L238-H241 WeakPolarHBondContact O-CA 3.44Å; L238-H241 PolarHBondContact O-N 2.86Å; L238-R242 WeakPolarHBondContact O-CB 3.4Å; L238-R242 WeakPolarHBondContact O-CG 3.36Å; L238-R242 PolarHBondContact O-N 3.35Å; L238-Y249 HydrophobicContact CD1-CE2 4.06Å; L238-I251 HydrophobicContact CD1-CD1 4.09Å; L238-L280 HydrophobicContact CD1-CD2 4.11Å
239D89.7Confident86.3Confident73 Ų7351.9 Ų51.939%0.3932%0.322SS..Hα-helixtrans-63.4-35.8-173.2-65.5-15.9000111.3R235 H241 R242 G243 Y249R235-D239 WeakPolarHBondContact O-CB 3.49Å; R235-D239 PolarHBondContact O-N 3.34Å; D239-H241 VanDerWaalsContact C-N 3.26Å; D239-H241 PolarHBondContact O-N 3.4Å; D239-R242 PolarHBondContact O-N 3.34Å; D239-G243 PolarHBondContact O-N 2.84Å; D239-Y249 VanDerWaalsContact OD1-CE1 3.25Å; D239-Y249 WeakPolarHBondContact OD1-CE1 3.39Å; D239-Y249 PolarHBondContact OD1-OH 3.29Å
240K87.3Confident86.2Confident170 Ų17052.6 Ų52.674%0.73933%0.326SS*.Hα-helixtrans-58.8-37.1172.6-172.6-179.4179-173.50112.6A236 L238A236-K240 WeakPolarHBondContact O-CB 3.4Å; A236-K240 PolarHBondContact O-N 3.27Å; A236-K240 VanDerWaalsContact O-N 3.15Å; L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 3.26Å
241H83.5Confident86.1Confident88 Ų8850.9 Ų50.941%0.40732%0.316SS..Hα-helixtrans-85.4-32.6178.2-95.1-86.4000113.5I183 L238 D239 G243I183-H241 HydrophobicContact CD1-CB 4.03Å; I183-H241 HydrophobicContact CG1-CB 4.38Å; I183-H241 VanDerWaalsContact CG2-CD2 3.48Å; I183-H241 WeakPolarHBondContact CG2-CD2 3.37Å; L238-H241 CarbonylContact O-C 3.54Å; L238-H241 WeakPolarHBondContact O-CA 3.44Å; L238-H241 PolarHBondContact O-N 2.86Å; D239-H241 VanDerWaalsContact C-N 3.26Å; D239-H241 PolarHBondContact O-N 3.4Å; H241-G243 VanDerWaalsContact C-N 3.34Å
242R82.6Confident85.9Confident22 Ų2251.6 Ų51.68%0.08332%0.319CS..Hα-helixtrans-73.9-24.3-178.9-75-17569.4158.49.9113.4E215 Y221 L238 D239 Q246E215-R242 IonicContact OE1-CZ 3.63Å; E215-R242 IonicContact OE1-NH1 3.05Å; E215-R242 PolarHBondContact OE1-NH1 3Å; E215-R242 IonicContact OE1-NH2 3.57Å; E215-R242 PolarHBondContact OE1-NH2 2.92Å; E215-R242 IonicContact OE2-CZ 3.13Å; E215-R242 IonicContact OE2-NH1 2.7Å; E215-R242 IonicContact OE2-NH2 2.72Å; E215-R242 PolarHBondContact OE2-NH2 2.86Å; Y221-R242 HydrophobicContact CE2-CG 4.48Å; L238-R242 WeakPolarHBondContact O-CB 3.4Å; L238-R242 WeakPolarHBondContact O-CG 3.36Å; L238-R242 PolarHBondContact O-N 3.35Å; D239-R242 PolarHBondContact O-N 3.34Å; R242-Q246 HydrophobicContact CB-CG 4.18Å; R242-Q246 VanDerWaalsContact NH2-OE1 3.11Å
243G72.3Confident85.6Confident42 Ų4251 Ų5143%0.43331%0.312SS..  trans81.3162.618000000113.4D239 H241D239-G243 PolarHBondContact O-N 2.84Å; H241-G243 VanDerWaalsContact C-N 3.34Å
244A70.8Confident84.7Confident116 Ų11648 Ų4896%0.95930%0.301SS*.THydrogen-bonded Turntrans-68.9136.5-178.400000111.7
245G68.7Low83.4Confident82 Ų8252.1 Ų52.185%0.84532%0.317SS*.THydrogen-bonded Turntrans103.79.5173.600000116.2
246Q73.4Confident82.2Confident108 Ų10855.1 Ų55.151%0.50534%0.339SS..PPolyproline II helixtrans-76.6147.8173.6-69.2-74.6-42.500111.5R242R242-Q246 HydrophobicContact CB-CG 4.18Å; R242-Q246 VanDerWaalsContact NH2-OE1 3.11Å
247P80.6Confident81.3Confident48 Ų4856.9 Ų56.931%0.31233%0.334SS..PPolyproline II helixtrans-65.7156.2178.629.2-35000111Q282P247-Q282 HydrophobicContact CB-CG 3.89Å; P247-Q282 HydrophobicContact CG-CG 3.9Å
248A86.5Confident80.8Confident53 Ų5357.4 Ų57.444%0.43834%0.343SS..PPolyproline II helixtrans-59.1144.4173.400000110.4R283A248-R283 HydrophobicContact CB-CB 4.12Å; A248-R283 WeakPolarHBondContact O-CB 3.46Å; A248-R283 PolarHBondContact O-N 2.89Å
249Y90.8Very high80.6Confident15 Ų1561.5 Ų61.56%0.05937%0.372CS..EExtended strand (participates in β ladder)trans-138153.1-177.162.4-88000112.3E215 R235 L238 D239 I251 L280 R281 R283E215-Y249 WeakPolarHBondContact OE1-CB 3.25Å; R235-Y249 HydrophobicContact CG-CE2 4.3Å; L238-Y249 HydrophobicContact CD1-CE2 4.06Å; D239-Y249 VanDerWaalsContact OD1-CE1 3.25Å; D239-Y249 WeakPolarHBondContact OD1-CE1 3.39Å; D239-Y249 PolarHBondContact OD1-OH 3.29Å; Y249-I251 HydrophobicContact CD2-CG1 4.07Å; Y249-I251 HydrophobicContact CE2-CD1 4.2Å; Y249-I251 HydrophobicContact CE2-CG1 3.84Å; Y249-L280 HydrophobicContact CD2-CD2 3.85Å; Y249-L280 HydrophobicContact CE2-CD2 3.98Å; Y249-R281 CarbonylContact C-O 3.56Å; Y249-R281 WeakPolarHBondContact CA-O 3.25Å; Y249-R283 PolarHBondContact O-NH2 3.48Å
250D90.5Very high80.6Confident30 Ų3058.8 Ų58.816%0.1636%0.357CS..EExtended strand (participates in β ladder)trans-97.5142.8164.9-63.3-33.7000109.4I252 L280 R281 R283D250-I252 HydrophobicContact CB-CG2 4.15Å; D250-L280 WeakPolarHBondContact O-CA 3.44Å; D250-R281 HydrophobicContact CB-CB 4.45Å; D250-R281 PolarHBondContact N-O 3.38Å; D250-R281 PolarHBondContact O-N 2.95Å; D250-R281 IonicContact OD2-CZ 3.27Å; D250-R281 IonicContact OD2-NE 3.59Å; D250-R281 IonicContact OD2-NH2 3.88Å; D250-R281 PolarHBondContact OD2-NH2 3.46Å; D250-R283 IonicContact OD1-CZ 2.9Å; D250-R283 IonicContact OD1-NE 3.94Å; D250-R283 PolarHBondContact OD1-NE 3.47Å; D250-R283 IonicContact OD1-NH2 2.62Å; D250-R283 PolarHBondContact OD1-NH2 3.29Å
251I92.2Very high80.5Confident0 Ų052.9 Ų52.90%034%0.344CS..EExtended strand (participates in β ladder)trans-96.3122.7166.7-54.6176.7000107.1L212 L234 R235 L238 Y249 F260 L278 L280L212-I251 HydrophobicContact CD2-CD1 4.44Å; L212-I251 HydrophobicContact CD2-CG2 4.22Å; L234-I251 HydrophobicContact CD2-CD1 3.82Å; L234-I251 HydrophobicContact CG-CD1 4.08Å; R235-I251 HydrophobicContact CG-CD1 3.83Å; L238-I251 HydrophobicContact CD1-CD1 4.09Å; Y249-I251 HydrophobicContact CD2-CG1 4.07Å; Y249-I251 HydrophobicContact CE2-CD1 4.2Å; Y249-I251 HydrophobicContact CE2-CG1 3.84Å; I251-F260 HydrophobicContact CB-CB 4.38Å; I251-F260 HydrophobicContact CB-CD2 4.46Å; I251-F260 HydrophobicContact CG2-CD2 4.04Å; I251-F260 WeakPolarHBondContact O-CD2 3.2Å; I251-F260 PolarHBondContact O-N 3.42Å; I251-L278 HydrophobicContact CG2-CB 4.01Å; I251-L278 HydrophobicContact CG2-CD1 3.69Å; I251-L278 HydrophobicContact CG2-CG 4.34Å; I251-L280 HydrophobicContact CG1-CD2 3.93Å
252I90.6Very high80.8Confident15 Ų1552.5 Ų52.58%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-126.7142.3-177.661.8174.5000111.2D250 C258 L278 R279 R281D250-I252 HydrophobicContact CB-CG2 4.15Å; I252-C258 CarbonylContact C-O 3.01Å; I252-C258 WeakPolarHBondContact CA-O 3.5Å; I252-L278 WeakPolarHBondContact O-CA 3.49Å; I252-R279 HydrophobicContact CG1-CB 3.98Å; I252-R279 WeakPolarHBondContact CG1-O 3.49Å; I252-R279 PolarHBondContact N-O 3.17Å; I252-R279 PolarHBondContact O-N 3.11Å; I252-R281 HydrophobicContact CD1-CB 4.1Å
253S85.9Confident81.2Confident7 Ų755 Ų555%0.04936%0.36CS..EExtended strand (participates in β ladder)trans-94.2135.2163.6178.90000109.5Y255 P256 C258S253-Y255 VanDerWaalsContact C-N 3.34Å; S253-Y255 VanDerWaalsContact OG-C 3.31Å; S253-Y255 PolarHBondContact OG-N 3.38Å; S253-Y255 VanDerWaalsContact OG-N 3.17Å; S253-Y255 PolarHBondContact OG-O 3.19Å; S253-P256 WeakPolarHBondContact CB-O 3.39Å; S253-P256 PolarHBondContact OG-O 2.85Å; S253-C258 PolarHBondContact N-O 2.79Å; S253-C258 PolarHBondContact O-N 3.27Å
254A73.5Confident82.2Confident16 Ų1659.6 Ų59.613%0.13238%0.375CS..THydrogen-bonded Turntrans-74-28.5171.900000111.9L16L16-A254 HydrophobicContact CD1-CB 4.21Å
255Y66.1Low83.3Confident86 Ų8659.7 Ų59.734%0.33735%0.35SS..THydrogen-bonded Turntrans-154.6128.3178.4-170.8-96000113.2Q80 P84 S253Q80-Y255 HydrophobicContact CB-CD2 4.25Å; Q80-Y255 HydrophobicContact CB-CE2 3.47Å; Q80-Y255 VanDerWaalsContact CB-CE2 3.47Å; Q80-Y255 VanDerWaalsContact CD-CE2 3.44Å; Q80-Y255 HydrophobicContact CG-CD2 3.69Å; Q80-Y255 HydrophobicContact CG-CE2 3.39Å; P84-Y255 HydrophobicContact CB-CD1 4.39Å; P84-Y255 HydrophobicContact CB-CE1 3.64Å; P84-Y255 WeakPolarHBondContact O-CD1 3.38Å; P84-Y255 VanDerWaalsContact O-CE1 3.24Å; P84-Y255 WeakPolarHBondContact O-CE1 3.49Å; P84-Y255 VanDerWaalsContact O-CG 3.24Å; S253-Y255 VanDerWaalsContact C-N 3.34Å; S253-Y255 VanDerWaalsContact OG-C 3.31Å; S253-Y255 PolarHBondContact OG-N 3.38Å; S253-Y255 VanDerWaalsContact OG-N 3.17Å; S253-Y255 PolarHBondContact OG-O 3.19Å
256P68.1Low84.4Confident86 Ų8657.9 Ų57.956%0.55832%0.323SS*.THydrogen-bonded Turncis-58.2149.5-19.825.9-33000110.6S253 C258S253-P256 WeakPolarHBondContact CB-O 3.39Å; S253-P256 PolarHBondContact OG-O 2.85Å; P256-C258 PolarHBondContact O-N 3.19Å
257R73Confident85.2Confident94 Ų9452.7 Ų52.736%0.35530%0.298SS..THydrogen-bonded Turntrans-62.5107.4-176.7-61.5-173.1-172.6166.33.9109.6D69 Y74 F75D69-R257 IonicContact OD1-CZ 2.73Å; D69-R257 IonicContact OD1-NH1 3.62Å; D69-R257 PolarHBondContact OD1-NH1 3Å; D69-R257 IonicContact OD1-NH2 3.93Å; D69-R257 PolarHBondContact OD1-NH2 3.04Å; D69-R257 IonicContact OD2-NH2 3.9Å; D69-R257 PolarHBondContact OD2-NH2 2.95Å; Y74-R257 VanDerWaalsContact CB-NE 3.33Å; Y74-R257 HydrophobicContact CD1-CB 4.35Å; Y74-R257 HydrophobicContact CD1-CG 3.52Å; Y74-R257 HydrophobicContact CE1-CB 4.07Å; Y74-R257 HydrophobicContact CE1-CG 3.73Å; Y74-R257 HydrophobicContact CG-CG 4.14Å; Y74-R257 VanDerWaalsContact CG-NE 3.33Å; F75-R257 PolarHBondContact O-NH2 2.84Å; F75-R257 VanDerWaalsContact O-NH2 3.11Å
258C80.1Confident85.6Confident55 Ų5556.3 Ų56.337%0.37231%0.311SS..EExtended strand (participates in β ladder)trans-145.1133.5-177-77.50000109.8I252 S253 P256 F260I252-C258 CarbonylContact C-O 3.01Å; I252-C258 WeakPolarHBondContact CA-O 3.5Å; S253-C258 PolarHBondContact N-O 2.79Å; S253-C258 PolarHBondContact O-N 3.27Å; P256-C258 PolarHBondContact O-N 3.19Å; C258-F260 HydrophobicContact CB-CE1 4.3Å; C258-F260 HydrophobicContact CB-CE2 4.42Å; C258-F260 HydrophobicContact CB-CZ 3.95Å
259S87.2Confident85.7Confident86 Ų8656.4 Ų56.460%0.60131%0.309SS*.EExtended strand (participates in β ladder)trans-101.3127.5168.758.90000109.8G261S259-G261 PolarHBondContact O-N 3.13Å
260F88.1Confident85.4Confident16 Ų1656.7 Ų56.77%0.0731%0.313CS..EExtended strand (participates in β ladder)trans-94.688.4178.1-53.4-77000108.4V231 R235 I251 C258 C270 L272 L278V231-F260 HydrophobicContact CG1-CB 4.06Å; V231-F260 HydrophobicContact CG2-CB 4.36Å; R235-F260 PolarHBondContact NH2-O 2.95Å; I251-F260 HydrophobicContact CB-CB 4.38Å; I251-F260 HydrophobicContact CB-CD2 4.46Å; I251-F260 HydrophobicContact CG2-CD2 4.04Å; I251-F260 WeakPolarHBondContact O-CD2 3.2Å; I251-F260 PolarHBondContact O-N 3.42Å; C258-F260 HydrophobicContact CB-CE1 4.3Å; C258-F260 HydrophobicContact CB-CE2 4.42Å; C258-F260 HydrophobicContact CB-CZ 3.95Å; F260-C270 HydrophobicContact CD1-CB 3.81Å; F260-C270 HydrophobicContact CE1-CB 3.65Å; F260-L272 HydrophobicContact CD1-CD1 4.47Å; F260-L272 HydrophobicContact CE1-CD1 4.16Å; F260-L272 HydrophobicContact CE1-CD2 4.36Å; F260-L272 HydrophobicContact CE1-CG 4.2Å; F260-L272 HydrophobicContact CE2-CD2 4.33Å; F260-L272 HydrophobicContact CZ-CD1 4.23Å; F260-L272 HydrophobicContact CZ-CD2 3.8Å; F260-L272 HydrophobicContact CZ-CG 4.14Å; F260-L278 HydrophobicContact CD2-CD2 4.44Å; F260-L278 HydrophobicContact CE2-CD2 3.71Å; F260-L278 HydrophobicContact CZ-CD2 4.49Å
261G86Confident85.1Confident45 Ų4558 Ų5846%0.46433%0.333SS..  trans-89.4-41.7179.400000113.3R235 S259 D263R235-G261 PolarHBondContact NH2-O 2.89Å; S259-G261 PolarHBondContact O-N 3.13Å; G261-D263 PolarHBondContact O-N 3.06Å
262D89.9Confident84.8Confident81 Ų8158.2 Ų58.243%0.43333%0.334SS..  trans-81.7113.9-172.3-174.5-5.1000113.1V231 N264 R265V231-D262 WeakPolarHBondContact CB-O 3.36Å; D262-N264 VanDerWaalsContact C-N 3.25Å; D262-N264 PolarHBondContact O-N 3.25Å; D262-N264 PolarHBondContact OD1-N 3.41Å; D262-R265 HydrophobicContact CB-CG 4.01Å; D262-R265 PolarHBondContact O-N 3.02Å; D262-R265 WeakPolarHBondContact OD2-CG 3.44Å
263D92.1Very high84.2Confident74 Ų7461.9 Ų61.940%0.39636%0.361SS..THydrogen-bonded Turntrans-64.8-24.1-179.2-66.652.1000113.9T230 G232 R235 G261T230-D263 VanDerWaalsContact CB-O 3.29Å; T230-D263 WeakPolarHBondContact CB-O 3.45Å; T230-D263 PolarHBondContact OG1-O 3.06Å; G232-D263 PolarHBondContact N-O 3.12Å; R235-D263 IonicContact CZ-OD1 3.88Å; R235-D263 IonicContact NH1-OD1 3.2Å; R235-D263 PolarHBondContact NH1-OD1 2.89Å; R235-D263 IonicContact NH1-OD2 3.42Å; R235-D263 PolarHBondContact NH1-OD2 3.33Å; R235-D263 IonicContact NH2-OD1 2.79Å; G261-D263 PolarHBondContact O-N 3.06Å
264N92.7Very high83.9Confident139 Ų13963.1 Ų63.174%0.74338%0.375SS*.THydrogen-bonded Turntrans-88-13.8-174-62.3-47.3000112.8D262D262-N264 VanDerWaalsContact C-N 3.25Å; D262-N264 PolarHBondContact O-N 3.25Å; D262-N264 PolarHBondContact OD1-N 3.41Å
265R92.5Very high84.3Confident117 Ų11768.9 Ų68.944%0.44240%0.403SS..SBendtrans-73.3139.7179.1-72.7-173.368.8179.23.7111.1T230 V231 D262 S269T230-R265 CarbonylContact C-O 3.54Å; T230-R265 VanDerWaalsContact CA-O 3.22Å; T230-R265 WeakPolarHBondContact CA-O 3.39Å; T230-R265 WeakPolarHBondContact CB-O 3.41Å; V231-R265 PolarHBondContact N-O 3.45Å; D262-R265 HydrophobicContact CB-CG 4.01Å; D262-R265 PolarHBondContact O-N 3.02Å; D262-R265 WeakPolarHBondContact OD2-CG 3.44Å; R265-S269 PolarHBondContact NE-OG 3.18Å; R265-S269 PolarHBondContact NH2-O 3Å
266T92.4Very high85.2Confident44 Ų4466.4 Ų66.427%0.2740%0.397SS..BIsolated β-bridgetrans-76.2153.6173.462.60000110.9E229 E268 S269 C270E229-T266 CarbonylContact O-C 3.53Å; E229-T266 VanDerWaalsContact O-CA 3.26Å; E229-T266 WeakPolarHBondContact O-CA 3.34Å; T266-E268 PolarHBondContact O-N 3.32Å; T266-S269 PolarHBondContact N-OG 3.49Å; T266-S269 PolarHBondContact O-N 3.36Å; T266-S269 VanDerWaalsContact O-N 3.12Å; T266-S269 PolarHBondContact O-OG 3.15Å; T266-S269 WeakPolarHBondContact OG1-CB 3.49Å; T266-S269 PolarHBondContact OG1-N 3.49Å; T266-S269 VanDerWaalsContact OG1-N 3.13Å; T266-S269 PolarHBondContact OG1-OG 3.4Å; T266-C270 PolarHBondContact O-N 2.96Å; T266-C270 PolarHBondContact O-SG 3.31Å
267L90.4Very high86.1Confident0 Ų064.4 Ų64.40%038%0.383CS..THydrogen-bonded Turntrans-55.8-40174.8-63.5-179.1000111.4V208 L210 M225 E229 L234 C270 G271 L272V208-L267 HydrophobicContact CG2-CD1 3.91Å; L210-L267 HydrophobicContact CD1-CD1 3.99Å; L210-L267 HydrophobicContact CD1-CD2 4.17Å; M225-L267 HydrophobicContact CB-CD1 3.56Å; M225-L267 HydrophobicContact CE-CD1 4.17Å; M225-L267 HydrophobicContact CG-CD1 4.46Å; M225-L267 HydrophobicContact SD-CD1 4.19Å; E229-L267 WeakPolarHBondContact O-CG 3.43Å; E229-L267 PolarHBondContact O-N 2.8Å; L234-L267 HydrophobicContact CD2-CD2 4.33Å; L267-C270 WeakPolarHBondContact O-CB 3.33Å; L267-C270 PolarHBondContact O-N 2.58Å; L267-G271 PolarHBondContact O-N 2.86Å; L267-L272 HydrophobicContact CB-CB 4.24Å; L267-L272 HydrophobicContact CD2-CD1 3.65Å; L267-L272 WeakPolarHBondContact O-CB 3.47Å; L267-L272 PolarHBondContact O-N 3.13Å
268E89.2Confident86.9Confident124 Ų12459.9 Ų59.958%0.57937%0.366SS*.THydrogen-bonded Turntrans-60.2-49.2174.1-172.9175-12600112.7L227 T266 C270 G271L227-E268 HydrophobicContact CB-CB 4.16Å; L227-E268 HydrophobicContact CD2-CB 4.46Å; L227-E268 WeakPolarHBondContact O-CB 3.08Å; L227-E268 PolarHBondContact O-N 3.3Å; L227-E268 VanDerWaalsContact O-N 3.1Å; T266-E268 PolarHBondContact O-N 3.32Å; E268-C270 PolarHBondContact O-N 2.73Å; E268-C270 VanDerWaalsContact O-N 3.16Å; E268-G271 PolarHBondContact O-N 2.91Å
269S87.6Confident87.4Confident55 Ų5558.3 Ų58.339%0.38535%0.352SS..THydrogen-bonded Turntrans-62.9-25.9-18078.60000112.2R265 T266 G271R265-S269 PolarHBondContact NE-OG 3.18Å; R265-S269 PolarHBondContact NH2-O 3Å; T266-S269 PolarHBondContact N-OG 3.49Å; T266-S269 PolarHBondContact O-N 3.36Å; T266-S269 VanDerWaalsContact O-N 3.12Å; T266-S269 PolarHBondContact O-OG 3.15Å; T266-S269 WeakPolarHBondContact OG1-CB 3.49Å; T266-S269 PolarHBondContact OG1-N 3.49Å; T266-S269 VanDerWaalsContact OG1-N 3.13Å; T266-S269 PolarHBondContact OG1-OG 3.4Å; S269-G271 VanDerWaalsContact C-N 3.27Å
270C85.5Confident87.5Confident21 Ų2154.2 Ų54.214%0.14232%0.324CS..THydrogen-bonded Turntrans-81.3-2.7176.9-76.20000113.3F260 T266 L267 E268 L272F260-C270 HydrophobicContact CD1-CB 3.81Å; F260-C270 HydrophobicContact CE1-CB 3.65Å; T266-C270 PolarHBondContact O-N 2.96Å; T266-C270 PolarHBondContact O-SG 3.31Å; L267-C270 WeakPolarHBondContact O-CB 3.33Å; L267-C270 PolarHBondContact O-N 2.58Å; E268-C270 PolarHBondContact O-N 2.73Å; E268-C270 VanDerWaalsContact O-N 3.16Å; C270-L272 VanDerWaalsContact C-N 3.27Å; C270-L272 HydrophobicContact CB-CD1 4.17Å; C270-L272 HydrophobicContact CB-CG 4.15Å
271G84.8Confident87.6Confident56 Ų5658.3 Ų58.358%0.57734%0.339SS*.THydrogen-bonded Turntrans75.514.5-176.900000113.7L267 E268 S269 S273L267-G271 PolarHBondContact O-N 2.86Å; E268-G271 PolarHBondContact O-N 2.91Å; S269-G271 VanDerWaalsContact C-N 3.27Å; G271-S273 VanDerWaalsContact C-N 3.25Å; G271-S273 PolarHBondContact O-N 2.81Å; G271-S273 VanDerWaalsContact O-N 3.08Å
272L85Confident87.6Confident6 Ų660.2 Ų60.23%0.03134%0.336CS..  trans-8667.7177-59.9172.2000109V208 L210 L227 F260 L267 C270 V276 L278V208-L272 WeakPolarHBondContact CG1-O 3.41Å; L210-L272 HydrophobicContact CD2-CB 4.47Å; L227-L272 WeakPolarHBondContact CD2-O 3.5Å; F260-L272 HydrophobicContact CD1-CD1 4.47Å; F260-L272 HydrophobicContact CE1-CD1 4.16Å; F260-L272 HydrophobicContact CE1-CD2 4.36Å; F260-L272 HydrophobicContact CE1-CG 4.2Å; F260-L272 HydrophobicContact CE2-CD2 4.33Å; F260-L272 HydrophobicContact CZ-CD1 4.23Å; F260-L272 HydrophobicContact CZ-CD2 3.8Å; F260-L272 HydrophobicContact CZ-CG 4.14Å; L267-L272 HydrophobicContact CB-CB 4.24Å; L267-L272 HydrophobicContact CD2-CD1 3.65Å; L267-L272 WeakPolarHBondContact O-CB 3.47Å; L267-L272 PolarHBondContact O-N 3.13Å; C270-L272 VanDerWaalsContact C-N 3.27Å; C270-L272 HydrophobicContact CB-CD1 4.17Å; C270-L272 HydrophobicContact CB-CG 4.15Å; L272-V276 HydrophobicContact CD2-CB 4.27Å; L272-V276 HydrophobicContact CD2-CG1 3.65Å; L272-V276 HydrophobicContact CD2-CG2 4.31Å; L272-L278 HydrophobicContact CD1-CD1 4.42Å; L272-L278 HydrophobicContact CD2-CD1 4.49Å; L272-L278 HydrophobicContact CD2-CD2 4.13Å
273S77.7Confident87.2Confident92 Ų9262 Ų6264%0.64334%0.336SS*.  trans-96.5-3.3-172.258.50000115.2G271G271-S273 VanDerWaalsContact C-N 3.25Å; G271-S273 PolarHBondContact O-N 2.81Å; G271-S273 VanDerWaalsContact O-N 3.08Å
274G80.4Confident86Confident33 Ų3369.3 Ų69.334%0.3437%0.368SS..SBendtrans-144.6-162.8-176.900000113.6V276G274-V276 PolarHBondContact O-N 3.25Å
275N81.6Confident85.6Confident136 Ų13665.9 Ų65.973%0.72735%0.349SS*.SBendtrans-69.3114.2173.2-68.6-16.2000109.1T209T209-N275 WeakPolarHBondContact CB-OD1 3.3Å; T209-N275 VanDerWaalsContact O-CA 3.32Å; T209-N275 WeakPolarHBondContact O-CA 3.27Å; T209-N275 PolarHBondContact OG1-OD1 3.37Å
276V84.3Confident85.3Confident34 Ų3463.2 Ų63.221%0.20634%0.344CS..EExtended strand (participates in β ladder)trans-128.9138-174147.20000110.6T209 L210 K211 L272 G274 L278T209-V276 PolarHBondContact O-N 3.1Å; L210-V276 WeakPolarHBondContact CA-O 3.49Å; L210-V276 HydrophobicContact CD2-CB 4.29Å; L210-V276 HydrophobicContact CD2-CG1 4.33Å; K211-V276 PolarHBondContact N-O 2.93Å; L272-V276 HydrophobicContact CD2-CB 4.27Å; L272-V276 HydrophobicContact CD2-CG1 3.65Å; L272-V276 HydrophobicContact CD2-CG2 4.31Å; G274-V276 PolarHBondContact O-N 3.25Å; V276-L278 HydrophobicContact CG1-CD1 4.38Å; V276-L278 HydrophobicContact CG1-CD2 3.4Å; V276-L278 VanDerWaalsContact CG1-CD2 3.4Å; V276-L278 HydrophobicContact CG1-CG 3.63Å
277T86.8Confident84.9Confident44 Ų4464.2 Ų64.227%0.2735%0.348SS..EExtended strand (participates in β ladder)trans-98.5121.2169.1-55.40000110L16 K211 K213L16-T277 HydrophobicContact CD2-CG2 3.85Å; K211-T277 HydrophobicContact CB-CG2 4.34Å; K211-T277 CarbonylContact O-C 3.59Å; K211-T277 VanDerWaalsContact O-CA 3.29Å; K211-T277 WeakPolarHBondContact O-CA 3.38Å; K213-T277 HydrophobicContact CD-CG2 4.22Å; K213-T277 HydrophobicContact CG-CG2 4.04Å
278L90.6Very high84.5Confident0 Ų068 Ų680%037%0.369CS..EExtended strand (participates in β ladder)trans-112161175.4-56.5177.5000109.8L210 K211 L212 K213 L234 I251 I252 F260 L272 V276L210-L278 HydrophobicContact CD2-CD1 4.5Å; K211-L278 PolarHBondContact O-N 3.13Å; L212-L278 WeakPolarHBondContact CA-O 3.27Å; L212-L278 HydrophobicContact CD2-CB 4.35Å; L212-L278 HydrophobicContact CD2-CD1 4.32Å; L212-L278 HydrophobicContact CG-CB 4.23Å; K213-L278 PolarHBondContact N-O 2.94Å; L234-L278 HydrophobicContact CD2-CD1 4.46Å; I251-L278 HydrophobicContact CG2-CB 4.01Å; I251-L278 HydrophobicContact CG2-CD1 3.69Å; I251-L278 HydrophobicContact CG2-CG 4.34Å; I252-L278 WeakPolarHBondContact O-CA 3.49Å; F260-L278 HydrophobicContact CD2-CD2 4.44Å; F260-L278 HydrophobicContact CE2-CD2 3.71Å; F260-L278 HydrophobicContact CZ-CD2 4.49Å; L272-L278 HydrophobicContact CD1-CD1 4.42Å; L272-L278 HydrophobicContact CD2-CD1 4.49Å; L272-L278 HydrophobicContact CD2-CD2 4.13Å; V276-L278 HydrophobicContact CG1-CD1 4.38Å; V276-L278 HydrophobicContact CG1-CD2 3.4Å; V276-L278 VanDerWaalsContact CG1-CD2 3.4Å; V276-L278 HydrophobicContact CG1-CG 3.63Å
279R90.3Very high84.3Confident21 Ų2164.5 Ų64.58%0.07936%0.356CS..EExtended strand (participates in β ladder)trans-123.1143.6174.2-173.7176.8162.2175.35.9110.8E12 L16 E215 I252E12-R279 IonicContact OE1-CZ 2.64Å; E12-R279 IonicContact OE1-NH1 3.12Å; E12-R279 IonicContact OE1-NH2 3.32Å; E12-R279 PolarHBondContact OE1-NH2 3.39Å; E12-R279 IonicContact OE2-CZ 3.18Å; E12-R279 VanDerWaalsContact OE2-CZ 3.32Å; E12-R279 IonicContact OE2-NH1 3.68Å; E12-R279 PolarHBondContact OE2-NH1 2.89Å; E12-R279 IonicContact OE2-NH2 2.93Å; E12-R279 PolarHBondContact OE2-NH2 3.34Å; E12-R279 VanDerWaalsContact OE2-NH2 3.12Å; L16-R279 HydrophobicContact CD1-CB 4.14Å; L16-R279 HydrophobicContact CD2-CB 3.73Å; L16-R279 HydrophobicContact CD2-CG 4.29Å; E215-R279 PolarHBondContact O-NH2 3.43Å; I252-R279 HydrophobicContact CG1-CB 3.98Å; I252-R279 WeakPolarHBondContact CG1-O 3.49Å; I252-R279 PolarHBondContact N-O 3.17Å; I252-R279 PolarHBondContact O-N 3.11Å
280L90.8Very high84Confident0 Ų065.1 Ų65.10%035%0.354CS..EExtended strand (participates in β ladder)trans-87.7131.5166.8-50.3-176000109.1L212 K213 E215 Y221 L238 Y249 D250 I251L212-L280 HydrophobicContact CD2-CD2 4.01Å; K213-L280 WeakPolarHBondContact O-CG 3.34Å; K213-L280 PolarHBondContact O-N 3.13Å; E215-L280 WeakPolarHBondContact CA-O 3.49Å; E215-L280 HydrophobicContact CG-CB 4.08Å; Y221-L280 HydrophobicContact CD2-CD1 4.47Å; Y221-L280 HydrophobicContact CE2-CD1 4.29Å; L238-L280 HydrophobicContact CD1-CD2 4.11Å; Y249-L280 HydrophobicContact CD2-CD2 3.85Å; Y249-L280 HydrophobicContact CE2-CD2 3.98Å; D250-L280 WeakPolarHBondContact O-CA 3.44Å; I251-L280 HydrophobicContact CG1-CD2 3.93Å
281R88.4Confident83.9Confident103 Ų10368.3 Ų68.339%0.38937%0.369SS..EExtended strand (participates in β ladder)trans-121.7124.7175.4-176.9179.768.3-175.32.2108.7Y249 D250 I252 R283Y249-R281 CarbonylContact C-O 3.56Å; Y249-R281 WeakPolarHBondContact CA-O 3.25Å; D250-R281 HydrophobicContact CB-CB 4.45Å; D250-R281 PolarHBondContact N-O 3.38Å; D250-R281 PolarHBondContact O-N 2.95Å; D250-R281 IonicContact OD2-CZ 3.27Å; D250-R281 IonicContact OD2-NE 3.59Å; D250-R281 IonicContact OD2-NH2 3.88Å; D250-R281 PolarHBondContact OD2-NH2 3.46Å; I252-R281 HydrophobicContact CD1-CB 4.1Å; R281-R283 PolarHBondContact O-N 3.12Å
282Q87.1Confident83.9Confident85 Ų8569.2 Ų69.240%0.39735%0.353SS..EExtended strand (participates in β ladder)trans-61.2132.1176.5-169.9171.8-13.300110.5E215 P247E215-Q282 HydrophobicContact CG-CB 4.21Å; P247-Q282 HydrophobicContact CB-CG 3.89Å; P247-Q282 HydrophobicContact CG-CG 3.9Å
283R81.4Confident83.8Confident118 Ų11874.5 Ų74.545%0.44538%0.379SS..  trans-89115.8173.1-163.2178.7-61.8129.11.5107.4A248 Y249 D250 R281A248-R283 HydrophobicContact CB-CB 4.12Å; A248-R283 WeakPolarHBondContact O-CB 3.46Å; A248-R283 PolarHBondContact O-N 2.89Å; Y249-R283 PolarHBondContact O-NH2 3.48Å; D250-R283 IonicContact OD1-CZ 2.9Å; D250-R283 IonicContact OD1-NE 3.94Å; D250-R283 PolarHBondContact OD1-NE 3.47Å; D250-R283 IonicContact OD1-NH2 2.62Å; D250-R283 PolarHBondContact OD1-NH2 3.29Å; R281-R283 PolarHBondContact O-N 3.12Å
284H65.9Low84.3Confident228 Ų22872.9 Ų72.9100%1.05636%0.355SS*.  trans-85.30176.9-72.4-76000111.4

Retrieved 284 of 284 residues in 196.4 ms (Link to these results)

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