A0A077ZKQ8_TRITR Loading...

Acetyltransf 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M94.3Very high96.8Very high68 Ų6860.9 Ų60.934%0.33531%0.307SS..  0126.10-174.1-174.9-6700107.1W53 V54 V55 K97 L98 M101M1-W53 HydrophobicContact CG-CB 4.11Å; M1-V54 CarbonylContact C-O 3.54Å; M1-V54 WeakPolarHBondContact CA-O 3.48Å; M1-V55 HydrophobicContact CE-CG2 3.8Å; M1-V55 HydrophobicContact CG-CG2 4.31Å; M1-K97 HydrophobicContact CE-CG 4.44Å; M1-L98 HydrophobicContact CE-CB 3.54Å; M1-L98 HydrophobicContact CE-CD1 4.13Å; M1-L98 HydrophobicContact CE-CG 3.95Å; M1-L98 HydrophobicContact SD-CB 4.04Å; M1-L98 HydrophobicContact SD-CD1 4.42Å; M1-L98 HydrophobicContact SD-CG 3.96Å; M1-M101 HydrophobicContact CG-CE 4.49Å; M1-M101 HydrophobicContact SD-CE 3.43Å; M1-M101 WeakPolarHBondContact SD-CE 3.43Å; M1-M101 HydrophobicContact SD-SD 4.09Å
2R96.2Very high96.8Very high76 Ų7655.8 Ų55.829%0.28728%0.282SS..EExtended strand (participates in β ladder)trans-150.8170.1-175.359.8169.7178.974.22.2110.2D8 W53 V54 E56R2-D8 IonicContact CZ-OD1 2.73Å; R2-D8 IonicContact CZ-OD2 3.58Å; R2-D8 IonicContact NH1-OD1 3.49Å; R2-D8 IonicContact NH1-OD2 3.32Å; R2-D8 PolarHBondContact NH1-OD2 3.48Å; R2-D8 IonicContact NH2-OD1 2.73Å; R2-D8 PolarHBondContact NH2-OD1 3.15Å; R2-D8 IonicContact NH2-OD2 3.85Å; R2-D8 PolarHBondContact NH2-OD2 3.1Å; R2-W53 CarbonylContact O-C 3.42Å; R2-W53 WeakPolarHBondContact O-CA 3.3Å; R2-W53 WeakPolarHBondContact O-CB 3.19Å; R2-V54 HydrophobicContact CG-CG2 3.78Å; R2-V54 PolarHBondContact N-O 3.43Å; R2-V54 PolarHBondContact O-N 2.9Å; R2-E56 IonicContact CZ-OE1 3.04Å; R2-E56 IonicContact NE-OE1 3.37Å; R2-E56 PolarHBondContact NE-OE1 3.37Å; R2-E56 IonicContact NE-OE2 2.75Å; R2-E56 PolarHBondContact NE-OE2 2.7Å; R2-E56 IonicContact NH2-OE1 3.58Å; R2-E56 PolarHBondContact NH2-OE1 3.49Å
3R97.1Very high96.6Very high102 Ų10251.5 Ų51.539%0.38526%0.26SS..EExtended strand (participates in β ladder)trans-60.6143.4172.7-67.7-64.9-64.3-179.2-10.5111Y52R3-Y52 PolarHBondContact NH1-O 2.7Å
4L97.7Very high96.5Very high12 Ų1255.3 Ų55.36%0.06327%0.269CS..  trans-60.6136.2170.6-175.371.2000110.1D8 I12 L41 Y52 V54L4-D8 HydrophobicContact CD1-CB 3.4Å; L4-D8 VanDerWaalsContact CD1-CB 3.4Å; L4-D8 HydrophobicContact CG-CB 4.43Å; L4-I12 HydrophobicContact CD1-CG2 4.06Å; L4-L41 HydrophobicContact CD2-CB 3.88Å; L4-Y52 HydrophobicContact CB-CD1 4.05Å; L4-Y52 HydrophobicContact CB-CG 4.42Å; L4-Y52 HydrophobicContact CD1-CD1 4.19Å; L4-Y52 HydrophobicContact CD2-CD1 3.96Å; L4-Y52 HydrophobicContact CD2-CG 4.03Å; L4-Y52 HydrophobicContact CG-CD1 4.32Å; L4-Y52 PolarHBondContact N-O 2.87Å; L4-V54 HydrophobicContact CD1-CG1 3.48Å; L4-V54 VanDerWaalsContact CD1-CG1 3.48Å
5T97.8Very high96.4Very high46 Ų4651.6 Ų51.628%0.28225%0.251SS..  trans-116.3168169.573.60000110.5Q7 D8T5-Q7 PolarHBondContact O-N 3.17Å; T5-Q7 PolarHBondContact OG1-N 3.24Å; T5-Q7 PolarHBondContact OG1-OE1 2.73Å; T5-D8 PolarHBondContact N-OD2 3.24Å; T5-D8 WeakPolarHBondContact O-CB 3.37Å; T5-D8 PolarHBondContact O-N 2.99Å; T5-D8 PolarHBondContact OG1-OD2 2.97Å
6L97.6Very high96.1Very high85 Ų8548.4 Ų48.445%0.44524%0.236SC..G310 helixtrans-56.5-34177-178.462.8000112.6D8 Y42L6-D8 PolarHBondContact O-N 2.96Å; L6-Y42 HydrophobicContact CB-CD1 3.88Å; L6-Y42 HydrophobicContact CB-CE1 4.13Å; L6-Y42 HydrophobicContact CB-CG 4.08Å; L6-Y42 HydrophobicContact CD1-CD1 3.79Å; L6-Y42 HydrophobicContact CD1-CE1 4.49Å; L6-Y42 HydrophobicContact CD1-CG 4.35Å; L6-Y42 HydrophobicContact CG-CD1 4.42Å; L6-Y42 VanDerWaalsContact N-CD2 3.31Å
7Q97.1Very high95.8Very high146 Ų14651.1 Ų51.168%0.68224%0.243SC*.G310 helixtrans-70.8-19-179.4-63.375.429.600113.1T5T5-Q7 PolarHBondContact O-N 3.17Å; T5-Q7 PolarHBondContact OG1-N 3.24Å; T5-Q7 PolarHBondContact OG1-OE1 2.73Å
8D97.6Very high95.6Very high10 Ų1053.6 Ų53.65%0.05325%0.254CS..G310 helixtrans-81.3-19.7-177.2-65.2-39000113.2R2 L4 T5 L6 A11 I12 V54R2-D8 IonicContact CZ-OD1 2.73Å; R2-D8 IonicContact CZ-OD2 3.58Å; R2-D8 IonicContact NH1-OD1 3.49Å; R2-D8 IonicContact NH1-OD2 3.32Å; R2-D8 PolarHBondContact NH1-OD2 3.48Å; R2-D8 IonicContact NH2-OD1 2.73Å; R2-D8 PolarHBondContact NH2-OD1 3.15Å; R2-D8 IonicContact NH2-OD2 3.85Å; R2-D8 PolarHBondContact NH2-OD2 3.1Å; L4-D8 HydrophobicContact CD1-CB 3.4Å; L4-D8 VanDerWaalsContact CD1-CB 3.4Å; L4-D8 HydrophobicContact CG-CB 4.43Å; T5-D8 PolarHBondContact N-OD2 3.24Å; T5-D8 WeakPolarHBondContact O-CB 3.37Å; T5-D8 PolarHBondContact O-N 2.99Å; T5-D8 PolarHBondContact OG1-OD2 2.97Å; L6-D8 PolarHBondContact O-N 2.96Å; D8-A11 WeakPolarHBondContact O-CA 3.37Å; D8-A11 WeakPolarHBondContact O-CB 3.33Å; D8-A11 PolarHBondContact O-N 3.4Å; D8-I12 WeakPolarHBondContact O-CG2 3.31Å; D8-I12 PolarHBondContact O-N 3.1Å; D8-V54 HydrophobicContact CB-CG1 4.24Å
9N96.9Very high95.3Very high9 Ų951.1 Ų51.15%0.04824%0.243CC..Hα-helixtrans-45.5-52.9-174.8-85.10000113A11 I12 A13 D39 E40 L41 Y42 Q43N9-A11 VanDerWaalsContact C-N 3.28Å; N9-A11 PolarHBondContact O-N 3.18Å; N9-I12 WeakPolarHBondContact O-CG2 3.32Å; N9-A13 WeakPolarHBondContact O-CB 3.35Å; N9-A13 PolarHBondContact O-N 3.06Å; N9-D39 WeakPolarHBondContact CB-O 3.41Å; N9-D39 PolarHBondContact ND2-O 3.4Å; N9-E40 WeakPolarHBondContact ND2-CA 3.43Å; N9-L41 PolarHBondContact OD1-N 3.09Å; N9-Y42 VanDerWaalsContact OD1-CB 3.24Å; N9-Y42 WeakPolarHBondContact OD1-CB 3.41Å; N9-Y42 PolarHBondContact OD1-N 3.26Å; N9-Q43 PolarHBondContact ND2-OE1 3.31Å
10P96.2Very high94.9Very high91 Ų9148.6 Ų48.659%0.59123%0.231SC*.Hα-helixtrans-62.2-37.6179.6-2133.6000112.7R14P10-R14 WeakPolarHBondContact O-CB 3.5Å; P10-R14 PolarHBondContact O-N 2.88Å; P10-R14 VanDerWaalsContact O-N 3.09Å
11A96.7Very high94.5Very high25 Ų2549.5 Ų49.521%0.20725%0.247CC..Hα-helixtrans-72.8-45.4-175.800000111.6D8 N9 R14 V15 V61D8-A11 WeakPolarHBondContact O-CA 3.37Å; D8-A11 WeakPolarHBondContact O-CB 3.33Å; D8-A11 PolarHBondContact O-N 3.4Å; N9-A11 VanDerWaalsContact C-N 3.28Å; N9-A11 PolarHBondContact O-N 3.18Å; A11-R14 WeakPolarHBondContact O-CB 3.23Å; A11-R14 PolarHBondContact O-N 3.36Å; A11-V15 WeakPolarHBondContact O-CG2 3.34Å; A11-V15 PolarHBondContact O-N 3.03Å; A11-V15 VanDerWaalsContact O-N 3.12Å; A11-V61 HydrophobicContact CB-CB 3.83Å; A11-V61 HydrophobicContact CB-CG1 4.44Å; A11-V61 HydrophobicContact CB-CG2 4.17Å
12I96.4Very high94.1Very high0 Ų051 Ų510%025%0.253CS..Hα-helixtrans-69.4-37.6177.5-17061.9000111.6L4 D8 N9 R14 V15 I16 L41 Y52 V61L4-I12 HydrophobicContact CD1-CG2 4.06Å; D8-I12 WeakPolarHBondContact O-CG2 3.31Å; D8-I12 PolarHBondContact O-N 3.1Å; N9-I12 WeakPolarHBondContact O-CG2 3.32Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.39Å; I12-V15 HydrophobicContact CD1-CB 4.39Å; I12-V15 WeakPolarHBondContact O-CB 3.35Å; I12-V15 PolarHBondContact O-N 2.87Å; I12-V15 VanDerWaalsContact O-N 3.13Å; I12-I16 HydrophobicContact CG1-CD1 4.07Å; I12-I16 HydrophobicContact CG1-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CG1 3.4Å; I12-I16 PolarHBondContact O-N 3.32Å; I12-L41 HydrophobicContact CG1-CD1 4.17Å; I12-L41 HydrophobicContact CG2-CD1 3.9Å; I12-Y52 HydrophobicContact CD1-CE1 4.06Å; I12-Y52 HydrophobicContact CG1-CE1 3.82Å; I12-V61 HydrophobicContact CB-CG1 4.34Å; I12-V61 HydrophobicContact CD1-CG1 4.2Å
13A94.6Very high93.3Very high0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-61.1-41.2175.500000111.4N9 I16 R17 L38 D39N9-A13 WeakPolarHBondContact O-CB 3.35Å; N9-A13 PolarHBondContact O-N 3.06Å; A13-I16 PolarHBondContact O-N 2.93Å; A13-R17 WeakPolarHBondContact O-CB 3.45Å; A13-R17 VanDerWaalsContact O-CG 3.29Å; A13-R17 WeakPolarHBondContact O-CG 3.46Å; A13-R17 PolarHBondContact O-N 3.39Å; A13-L38 HydrophobicContact CB-CG 4.19Å; A13-L38 WeakPolarHBondContact CB-O 3.48Å; A13-D39 WeakPolarHBondContact CB-OD1 3.38Å
14R94.2Very high92.2Very high104 Ų10448 Ų4839%0.39225%0.25SC..Hα-helixtrans-58.8-46.3172.1177-176.661.4115.8-8.4111.8P10 A11 I12 R17 Q18 E60P10-R14 WeakPolarHBondContact O-CB 3.5Å; P10-R14 PolarHBondContact O-N 2.88Å; P10-R14 VanDerWaalsContact O-N 3.09Å; A11-R14 WeakPolarHBondContact O-CB 3.23Å; A11-R14 PolarHBondContact O-N 3.36Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.39Å; R14-R17 PolarHBondContact O-N 3.03Å; R14-Q18 WeakPolarHBondContact O-CB 3.45Å; R14-Q18 PolarHBondContact O-N 3.25Å; R14-E60 IonicContact NH1-OE2 3.91Å; R14-E60 IonicContact NH2-OE2 2.97Å; R14-E60 PolarHBondContact NH2-OE2 3.44Å
15V95.2Very high91.1Very high0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-59.4-49177.9170.80000111A11 I12 R17 Q18 V19 V61 L86A11-V15 WeakPolarHBondContact O-CG2 3.34Å; A11-V15 PolarHBondContact O-N 3.03Å; A11-V15 VanDerWaalsContact O-N 3.12Å; I12-V15 HydrophobicContact CD1-CB 4.39Å; I12-V15 WeakPolarHBondContact O-CB 3.35Å; I12-V15 PolarHBondContact O-N 2.87Å; I12-V15 VanDerWaalsContact O-N 3.13Å; V15-R17 PolarHBondContact O-N 3.19Å; V15-Q18 PolarHBondContact O-N 3.29Å; V15-V19 HydrophobicContact CG1-CG2 4.28Å; V15-V19 WeakPolarHBondContact O-CG2 2.98Å; V15-V19 PolarHBondContact O-N 3.39Å; V15-V61 WeakPolarHBondContact CG2-O 3.38Å; V15-L86 HydrophobicContact CG1-CD2 4.19Å; V15-L86 HydrophobicContact CG1-CG 4.1Å; V15-L86 HydrophobicContact CG2-CD1 4.12Å; V15-L86 HydrophobicContact CG2-CD2 4.39Å; V15-L86 HydrophobicContact CG2-CG 4.05Å
16I92.7Very high89.3Confident0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-60.9-45.9-178.2-66.4171.2000110.6I12 A13 S20 L38 L41 Y84I12-I16 HydrophobicContact CG1-CD1 4.07Å; I12-I16 HydrophobicContact CG1-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CG1 3.4Å; I12-I16 PolarHBondContact O-N 3.32Å; A13-I16 PolarHBondContact O-N 2.93Å; I16-S20 WeakPolarHBondContact O-CB 2.99Å; I16-S20 PolarHBondContact O-N 3.48Å; I16-S20 PolarHBondContact O-OG 3.11Å; I16-L38 HydrophobicContact CB-CD1 3.91Å; I16-L38 HydrophobicContact CD1-CD1 3.46Å; I16-L38 VanDerWaalsContact CD1-CD1 3.46Å; I16-L38 HydrophobicContact CG1-CD1 4.26Å; I16-L38 HydrophobicContact CG2-CD1 3.71Å; I16-L38 HydrophobicContact CG2-CD2 4.15Å; I16-L41 HydrophobicContact CD1-CD1 3.6Å; I16-Y84 HydrophobicContact CB-CD2 4.22Å; I16-Y84 HydrophobicContact CB-CE2 4.43Å; I16-Y84 HydrophobicContact CB-CG 4.4Å; I16-Y84 HydrophobicContact CD1-CD2 4.22Å; I16-Y84 HydrophobicContact CG1-CD2 3.57Å; I16-Y84 HydrophobicContact CG1-CE2 4.11Å; I16-Y84 HydrophobicContact CG1-CG 3.93Å; I16-Y84 HydrophobicContact CG2-CD2 4.03Å; I16-Y84 HydrophobicContact CG2-CE1 4.34Å; I16-Y84 HydrophobicContact CG2-CE2 3.73Å; I16-Y84 HydrophobicContact CG2-CG 4.44Å
17R90.4Very high87.4Confident95 Ų9546.6 Ų46.636%0.35825%0.251SS..Hα-helixtrans-60.7-47.1176.6-72.1174.1179.2121.61.3112A13 R14 V15 S20 A21 V33 L38 D39A13-R17 WeakPolarHBondContact O-CB 3.45Å; A13-R17 VanDerWaalsContact O-CG 3.29Å; A13-R17 WeakPolarHBondContact O-CG 3.46Å; A13-R17 PolarHBondContact O-N 3.39Å; R14-R17 PolarHBondContact O-N 3.03Å; V15-R17 PolarHBondContact O-N 3.19Å; R17-S20 PolarHBondContact O-N 3.1Å; R17-A21 VanDerWaalsContact O-CB 3.3Å; R17-A21 WeakPolarHBondContact O-CB 3.44Å; R17-A21 PolarHBondContact O-N 3.42Å; R17-V33 HydrophobicContact CG-CG1 4.24Å; R17-L38 HydrophobicContact CG-CD2 3.92Å; R17-D39 IonicContact CZ-OD1 3.9Å; R17-D39 VanDerWaalsContact CZ-OD1 3.31Å; R17-D39 IonicContact CZ-OD2 3.28Å; R17-D39 IonicContact NH1-OD1 2.73Å; R17-D39 PolarHBondContact NH1-OD1 2.96Å; R17-D39 IonicContact NH1-OD2 2.67Å; R17-D39 IonicContact NH2-OD1 3.1Å; R17-D39 PolarHBondContact NH2-OD1 3.28Å; R17-D39 IonicContact NH2-OD2 3.42Å; R17-D39 PolarHBondContact NH2-OD2 3.07Å
18Q91.9Very high85.6Confident95 Ų9546.1 Ų46.144%0.44425%0.253SS..Hα-helixtrans-63.6-46.8-177.9-177.1175.5-27.900111.7R14 V15 A21 E22 L86R14-Q18 WeakPolarHBondContact O-CB 3.45Å; R14-Q18 PolarHBondContact O-N 3.25Å; V15-Q18 PolarHBondContact O-N 3.29Å; Q18-A21 PolarHBondContact O-N 2.73Å; Q18-E22 PolarHBondContact O-N 2.76Å; Q18-E22 VanDerWaalsContact O-N 3.11Å; Q18-L86 HydrophobicContact CB-CD2 4.36Å; Q18-L86 HydrophobicContact CG-CD2 4.21Å
19V90.9Very high83.6Confident7 Ų750.3 Ų50.34%0.04227%0.271CS..Hα-helixtrans-68.4-41.3179.1178.10000110.5V15 A21 E22 Y23 Y84 F85 L86V15-V19 HydrophobicContact CG1-CG2 4.28Å; V15-V19 WeakPolarHBondContact O-CG2 2.98Å; V15-V19 PolarHBondContact O-N 3.39Å; V19-A21 VanDerWaalsContact C-N 3.32Å; V19-A21 PolarHBondContact O-N 3.21Å; V19-E22 WeakPolarHBondContact O-CB 3.45Å; V19-E22 PolarHBondContact O-N 3.47Å; V19-Y23 HydrophobicContact CG1-CD2 3.95Å; V19-Y23 HydrophobicContact CG1-CE2 3.93Å; V19-Y23 VanDerWaalsContact O-CD2 3.32Å; V19-Y23 WeakPolarHBondContact O-CD2 3.43Å; V19-Y23 PolarHBondContact O-N 2.95Å; V19-Y84 HydrophobicContact CB-CD1 3.76Å; V19-Y84 HydrophobicContact CG1-CD1 3.66Å; V19-Y84 HydrophobicContact CG1-CE1 4.32Å; V19-F85 WeakPolarHBondContact CG2-O 3.3Å; V19-L86 HydrophobicContact CG2-CD2 4.07Å
20S86.9Confident81.7Confident0 Ų051.3 Ų51.30%028%0.283CS..Hα-helixtrans-63.6-39.3178-57.70000112I16 R17 E22 Y23 G24 L25 V33 Y84I16-S20 WeakPolarHBondContact O-CB 2.99Å; I16-S20 PolarHBondContact O-N 3.48Å; I16-S20 PolarHBondContact O-OG 3.11Å; R17-S20 PolarHBondContact O-N 3.1Å; S20-E22 VanDerWaalsContact C-N 3.35Å; S20-E22 PolarHBondContact O-N 3.04Å; S20-Y23 PolarHBondContact O-N 3.26Å; S20-G24 PolarHBondContact O-N 2.99Å; S20-G24 VanDerWaalsContact O-N 3.13Å; S20-L25 WeakPolarHBondContact CB-O 3.45Å; S20-L25 PolarHBondContact O-N 3.02Å; S20-V33 WeakPolarHBondContact OG-CG2 3.2Å; S20-Y84 VanDerWaalsContact OG-CE1 3.3Å; S20-Y84 WeakPolarHBondContact OG-CE1 3.29Å; S20-Y84 PolarHBondContact OG-OH 3.43Å
21A86.1Confident80Confident69 Ų6948.4 Ų48.457%0.5726%0.261SS*.Hα-helixtrans-62.7-39.1174.500000112.5R17 Q18 V19 Y23 G24R17-A21 VanDerWaalsContact O-CB 3.3Å; R17-A21 WeakPolarHBondContact O-CB 3.44Å; R17-A21 PolarHBondContact O-N 3.42Å; Q18-A21 PolarHBondContact O-N 2.73Å; V19-A21 VanDerWaalsContact C-N 3.32Å; V19-A21 PolarHBondContact O-N 3.21Å; A21-Y23 VanDerWaalsContact C-N 3.29Å; A21-Y23 PolarHBondContact O-N 3.46Å; A21-G24 PolarHBondContact O-N 3.2Å; A21-G24 VanDerWaalsContact O-N 3.13Å
22E85.3Confident78.1Confident99 Ų9948.4 Ų48.446%0.46326%0.258SS..Hα-helixtrans-58.3-40.4175.6-174.8-171.3159.200112.2Q18 V19 S20 G24 R90Q18-E22 PolarHBondContact O-N 2.76Å; Q18-E22 VanDerWaalsContact O-N 3.11Å; V19-E22 WeakPolarHBondContact O-CB 3.45Å; V19-E22 PolarHBondContact O-N 3.47Å; S20-E22 VanDerWaalsContact C-N 3.35Å; S20-E22 PolarHBondContact O-N 3.04Å; E22-G24 VanDerWaalsContact C-N 3.34Å; E22-R90 IonicContact OE1-CZ 2.66Å; E22-R90 IonicContact OE1-NH1 3.54Å; E22-R90 PolarHBondContact OE1-NH1 2.99Å; E22-R90 IonicContact OE1-NH2 3.5Å; E22-R90 IonicContact OE2-CZ 3.75Å; E22-R90 IonicContact OE2-NH1 3.31Å; E22-R90 PolarHBondContact OE2-NH1 3.11Å; E22-R90 IonicContact OE2-NH2 3.57Å; E22-R90 PolarHBondContact OE2-NH2 2.94Å
23Y79.1Confident76.2Confident89 Ų8950.3 Ų50.335%0.34927%0.27SS..THydrogen-bonded Turntrans-89.14.7178.8-72.2-79.9000113.8V19 S20 A21 L25 L122V19-Y23 HydrophobicContact CG1-CD2 3.95Å; V19-Y23 HydrophobicContact CG1-CE2 3.93Å; V19-Y23 VanDerWaalsContact O-CD2 3.32Å; V19-Y23 WeakPolarHBondContact O-CD2 3.43Å; V19-Y23 PolarHBondContact O-N 2.95Å; S20-Y23 PolarHBondContact O-N 3.26Å; A21-Y23 VanDerWaalsContact C-N 3.29Å; A21-Y23 PolarHBondContact O-N 3.46Å; Y23-L25 PolarHBondContact O-N 2.89Å; Y23-L122 HydrophobicContact CD1-CD2 3.49Å; Y23-L122 VanDerWaalsContact CD1-CD2 3.49Å; Y23-L122 HydrophobicContact CD2-CD2 4.16Å; Y23-L122 HydrophobicContact CE1-CD2 3.45Å; Y23-L122 VanDerWaalsContact CE1-CD2 3.45Å; Y23-L122 HydrophobicContact CE2-CD2 4.15Å; Y23-L122 HydrophobicContact CG-CD2 3.86Å
24G75.5Confident74.4Confident25 Ų2552.9 Ų52.926%0.25829%0.291SS..THydrogen-bonded Turntrans63.824.1-177.800000113.8S20 A21 E22 T26 K29S20-G24 PolarHBondContact O-N 2.99Å; S20-G24 VanDerWaalsContact O-N 3.13Å; A21-G24 PolarHBondContact O-N 3.2Å; A21-G24 VanDerWaalsContact O-N 3.13Å; E22-G24 VanDerWaalsContact C-N 3.34Å; G24-T26 VanDerWaalsContact C-N 3.34Å; G24-T26 PolarHBondContact O-N 3.02Å; G24-K29 PolarHBondContact O-NZ 2.8Å
25L73.1Confident73.2Confident12 Ų1249.7 Ų49.76%0.06328%0.282CS..  trans-85.676.5177.2-56177.3000108.4S20 Y23 Y31 V33 T119S20-L25 WeakPolarHBondContact CB-O 3.45Å; S20-L25 PolarHBondContact O-N 3.02Å; Y23-L25 PolarHBondContact O-N 2.89Å; L25-Y31 VanDerWaalsContact CA-CD2 3.44Å; L25-Y31 HydrophobicContact CB-CD1 4.24Å; L25-Y31 HydrophobicContact CB-CD2 3.77Å; L25-Y31 HydrophobicContact CB-CE2 4.4Å; L25-Y31 HydrophobicContact CB-CG 3.69Å; L25-Y31 HydrophobicContact CD2-CD1 3.76Å; L25-Y31 HydrophobicContact CD2-CD2 3.84Å; L25-Y31 HydrophobicContact CD2-CE1 3.54Å; L25-Y31 HydrophobicContact CD2-CE2 3.63Å; L25-Y31 HydrophobicContact CD2-CG 3.91Å; L25-Y31 VanDerWaalsContact CD2-CZ 3.48Å; L25-Y31 HydrophobicContact CG-CD1 4.42Å; L25-Y31 HydrophobicContact CG-CD2 4.41Å; L25-Y31 HydrophobicContact CG-CG 4.31Å; L25-V33 WeakPolarHBondContact O-CG2 3.44Å; L25-T119 HydrophobicContact CD2-CG2 4.36Å
26T60Low72Confident48 Ų4855.3 Ų55.329%0.29432%0.318SS..  trans-96.3158.3-173.551.70000111.5G24 D28 K29G24-T26 VanDerWaalsContact C-N 3.34Å; G24-T26 PolarHBondContact O-N 3.02Å; T26-D28 WeakPolarHBondContact CB-OD1 3.27Å; T26-D28 PolarHBondContact O-N 2.94Å; T26-D28 PolarHBondContact OG1-OD1 3Å; T26-K29 PolarHBondContact O-N 2.84Å
27A58.5Low71.5Confident54 Ų5458.6 Ų58.645%0.44634%0.336SS..G310 helixtrans-61.2-30.5-175.500000113.5K29 G30 A34A27-K29 PolarHBondContact O-N 2.83Å; A27-K29 VanDerWaalsContact O-N 3.17Å; A27-G30 PolarHBondContact O-N 2.91Å; A27-A34 HydrophobicContact CB-CB 3.85Å
28D59.6Low71.3Confident137 Ų13754.1 Ų54.173%0.73332%0.319SS*.G310 helixtrans-64.5-12.6173.658.6-58.5000113.5T26T26-D28 WeakPolarHBondContact CB-OD1 3.27Å; T26-D28 PolarHBondContact O-N 2.94Å; T26-D28 PolarHBondContact OG1-OD1 3Å
29K56.2Low71.3Confident97 Ų9753.5 Ų53.542%0.42232%0.319SS..G310 helixtrans-113.128.1176.5-54.7179.2-173.3170.80112.5G24 T26 A27 Y31 D148G24-K29 PolarHBondContact O-NZ 2.8Å; T26-K29 PolarHBondContact O-N 2.84Å; A27-K29 PolarHBondContact O-N 2.83Å; A27-K29 VanDerWaalsContact O-N 3.17Å; K29-Y31 HydrophobicContact CB-CD2 3.58Å; K29-Y31 HydrophobicContact CB-CE2 3.49Å; K29-Y31 VanDerWaalsContact CB-CE2 3.49Å; K29-Y31 HydrophobicContact CD-CE2 4.05Å; K29-Y31 HydrophobicContact CG-CE2 4.48Å; K29-Y31 WeakPolarHBondContact O-CD2 3.4Å; K29-Y31 VanDerWaalsContact O-CE2 3.29Å; K29-Y31 WeakPolarHBondContact O-CE2 3.45Å; K29-Y31 PolarHBondContact O-N 3.28Å; K29-D148 VanDerWaalsContact C-OD2 3.28Å
30G55.3Low71.5Confident31 Ų3158.1 Ų58.132%0.3234%0.34SS..THydrogen-bonded Turntrans65.410.4171.700000116.7A27A27-G30 PolarHBondContact O-N 2.91Å
31Y60.5Low71.9Confident29 Ų2958.1 Ų58.111%0.11434%0.34CS..  trans-81.7164.4179.7-65.2-71.4000112.8L25 K29 V33 A34 D148L25-Y31 VanDerWaalsContact CA-CD2 3.44Å; L25-Y31 HydrophobicContact CB-CD1 4.24Å; L25-Y31 HydrophobicContact CB-CD2 3.77Å; L25-Y31 HydrophobicContact CB-CE2 4.4Å; L25-Y31 HydrophobicContact CB-CG 3.69Å; L25-Y31 HydrophobicContact CD2-CD1 3.76Å; L25-Y31 HydrophobicContact CD2-CD2 3.84Å; L25-Y31 HydrophobicContact CD2-CE1 3.54Å; L25-Y31 HydrophobicContact CD2-CE2 3.63Å; L25-Y31 HydrophobicContact CD2-CG 3.91Å; L25-Y31 VanDerWaalsContact CD2-CZ 3.48Å; L25-Y31 HydrophobicContact CG-CD1 4.42Å; L25-Y31 HydrophobicContact CG-CD2 4.41Å; L25-Y31 HydrophobicContact CG-CG 4.31Å; K29-Y31 HydrophobicContact CB-CD2 3.58Å; K29-Y31 HydrophobicContact CB-CE2 3.49Å; K29-Y31 VanDerWaalsContact CB-CE2 3.49Å; K29-Y31 HydrophobicContact CD-CE2 4.05Å; K29-Y31 HydrophobicContact CG-CE2 4.48Å; K29-Y31 WeakPolarHBondContact O-CD2 3.4Å; K29-Y31 VanDerWaalsContact O-CE2 3.29Å; K29-Y31 WeakPolarHBondContact O-CE2 3.45Å; K29-Y31 PolarHBondContact O-N 3.28Å; Y31-V33 PolarHBondContact O-N 3.46Å; Y31-A34 WeakPolarHBondContact O-CB 3.39Å; Y31-A34 PolarHBondContact O-N 3.3Å; Y31-D148 HydrophobicContact CE1-CB 4.16Å
32T57.8Low72.4Confident25 Ų2559 Ų5915%0.15333%0.329CS..G310 helixtrans-51.5-17.7-173.2-37.30000115.5A34 D35 K82 Y84T32-A34 PolarHBondContact O-N 2.81Å; T32-D35 HydrophobicContact CG2-CB 4.35Å; T32-D35 WeakPolarHBondContact O-CB 3.49Å; T32-D35 PolarHBondContact O-N 3.46Å; T32-K82 HydrophobicContact CG2-CG 4.19Å; T32-Y84 PolarHBondContact OG1-OH 2.66Å
33V56Low73Confident40 Ų4057.6 Ų57.624%0.24232%0.323CS..G310 helixtrans-61.4-22172.6-1630000112.2R17 S20 L25 Y31 D35R17-V33 HydrophobicContact CG-CG1 4.24Å; S20-V33 WeakPolarHBondContact OG-CG2 3.2Å; L25-V33 WeakPolarHBondContact O-CG2 3.44Å; Y31-V33 PolarHBondContact O-N 3.46Å; V33-D35 VanDerWaalsContact C-N 3.35Å
34A57.6Low73.7Confident55 Ų5555.2 Ų55.246%0.45532%0.317SS..G310 helixtrans-83-4.5172.600000114A27 Y31 T32 P36A27-A34 HydrophobicContact CB-CB 3.85Å; Y31-A34 WeakPolarHBondContact O-CB 3.39Å; Y31-A34 PolarHBondContact O-N 3.3Å; T32-A34 PolarHBondContact O-N 2.81Å; A34-P36 VanDerWaalsContact O-CD 3.25Å; A34-P36 WeakPolarHBondContact O-CD 3.48Å; A34-P36 VanDerWaalsContact O-N 3.07Å
35D68.7Low74.7Confident37 Ų3754.2 Ų54.220%0.19831%0.306CS..  trans-60.2113.8178.9-175.1-14.8000108.7T32 V33 N37 L38 K82T32-D35 HydrophobicContact CG2-CB 4.35Å; T32-D35 WeakPolarHBondContact O-CB 3.49Å; T32-D35 PolarHBondContact O-N 3.46Å; V33-D35 VanDerWaalsContact C-N 3.35Å; D35-N37 PolarHBondContact O-N 3.35Å; D35-N37 WeakPolarHBondContact OD1-CB 3.45Å; D35-N37 PolarHBondContact OD1-N 3.19Å; D35-N37 PolarHBondContact OD1-ND2 3.14Å; D35-L38 HydrophobicContact CB-CB 4.46Å; D35-L38 VanDerWaalsContact O-CB 3.31Å; D35-L38 WeakPolarHBondContact O-CB 3.29Å; D35-L38 PolarHBondContact O-N 2.86Å; D35-K82 VanDerWaalsContact OD2-CE 3.23Å; D35-K82 WeakPolarHBondContact OD2-CE 3.42Å; D35-K82 IonicContact OD2-NZ 3.47Å; D35-K82 PolarHBondContact OD2-NZ 3.43Å
36P70.4Confident75.8Confident117 Ų11756.6 Ų56.676%0.7632%0.323SS*.THydrogen-bonded Turntrans-62-17.4-177.725.7-34000112.1A34A34-P36 VanDerWaalsContact O-CD 3.25Å; A34-P36 WeakPolarHBondContact O-CD 3.48Å; A34-P36 VanDerWaalsContact O-N 3.07Å
37N81.5Confident77.5Confident70 Ų7059.3 Ų59.337%0.37433%0.333SS..THydrogen-bonded Turntrans-98.910.9-179.6-48.9-63.8000113.2D35 D39 E40 L41 V44D35-N37 PolarHBondContact O-N 3.35Å; D35-N37 WeakPolarHBondContact OD1-CB 3.45Å; D35-N37 PolarHBondContact OD1-N 3.19Å; D35-N37 PolarHBondContact OD1-ND2 3.14Å; N37-D39 PolarHBondContact O-N 2.92Å; N37-E40 CarbonylContact O-C 3.52Å; N37-E40 WeakPolarHBondContact O-CA 3.31Å; N37-E40 PolarHBondContact O-N 3.34Å; N37-L41 PolarHBondContact O-N 3.05Å; N37-V44 HydrophobicContact CB-CG2 3.63Å
38L86Confident79.3Confident1 Ų162.1 Ų62.11%0.00535%0.346CS..G310 helixtrans-59.4-30.7-176.8-176.359.6000113.1A13 I16 R17 D35 E40 L41A13-L38 HydrophobicContact CB-CG 4.19Å; A13-L38 WeakPolarHBondContact CB-O 3.48Å; I16-L38 HydrophobicContact CB-CD1 3.91Å; I16-L38 HydrophobicContact CD1-CD1 3.46Å; I16-L38 VanDerWaalsContact CD1-CD1 3.46Å; I16-L38 HydrophobicContact CG1-CD1 4.26Å; I16-L38 HydrophobicContact CG2-CD1 3.71Å; I16-L38 HydrophobicContact CG2-CD2 4.15Å; R17-L38 HydrophobicContact CG-CD2 3.92Å; D35-L38 HydrophobicContact CB-CB 4.46Å; D35-L38 VanDerWaalsContact O-CB 3.31Å; D35-L38 WeakPolarHBondContact O-CB 3.29Å; D35-L38 PolarHBondContact O-N 2.86Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-L41 HydrophobicContact CD1-CD1 4.35Å
39D91.8Very high81.1Confident82 Ų8256.8 Ų56.844%0.43932%0.323SS..G310 helixtrans-85.4-1.9176.1-64.5-57.4000113.4N9 A13 R17 N37N9-D39 WeakPolarHBondContact CB-O 3.41Å; N9-D39 PolarHBondContact ND2-O 3.4Å; A13-D39 WeakPolarHBondContact CB-OD1 3.38Å; R17-D39 IonicContact CZ-OD1 3.9Å; R17-D39 VanDerWaalsContact CZ-OD1 3.31Å; R17-D39 IonicContact CZ-OD2 3.28Å; R17-D39 IonicContact NH1-OD1 2.73Å; R17-D39 PolarHBondContact NH1-OD1 2.96Å; R17-D39 IonicContact NH1-OD2 2.67Å; R17-D39 IonicContact NH2-OD1 3.1Å; R17-D39 PolarHBondContact NH2-OD1 3.28Å; R17-D39 IonicContact NH2-OD2 3.42Å; R17-D39 PolarHBondContact NH2-OD2 3.07Å; N37-D39 PolarHBondContact O-N 2.92Å
40E94.7Very high83Confident103 Ų10354.1 Ų54.148%0.48131%0.313SS..G310 helixtrans-12830.4-174.8-61.6-167.9173.700112.5N9 N37 L38 Y42 Q43 V44N9-E40 WeakPolarHBondContact ND2-CA 3.43Å; N37-E40 CarbonylContact O-C 3.52Å; N37-E40 WeakPolarHBondContact O-CA 3.31Å; N37-E40 PolarHBondContact O-N 3.34Å; L38-E40 VanDerWaalsContact C-N 3.3Å; E40-Y42 PolarHBondContact O-N 3.37Å; E40-Y42 VanDerWaalsContact O-N 3.16Å; E40-Q43 VanDerWaalsContact C-OE1 3.31Å; E40-Q43 HydrophobicContact CB-CB 4.38Å; E40-Q43 HydrophobicContact CB-CG 4.46Å; E40-Q43 WeakPolarHBondContact O-CB 3.12Å; E40-Q43 PolarHBondContact O-N 3.46Å; E40-Q43 PolarHBondContact O-OE1 2.84Å; E40-Q43 VanDerWaalsContact O-OE1 3.1Å; E40-V44 PolarHBondContact O-N 3.47Å
41L95.5Very high85.1Confident0 Ų052.7 Ų52.70%030%0.297CS..Hα-helixtrans-57-34.8-177.3-67.1-171.9000113.2L4 N9 I12 I16 N37 L38 Q43 V44 Y45 Y52 K82L4-L41 HydrophobicContact CD2-CB 3.88Å; N9-L41 PolarHBondContact OD1-N 3.09Å; I12-L41 HydrophobicContact CG1-CD1 4.17Å; I12-L41 HydrophobicContact CG2-CD1 3.9Å; I16-L41 HydrophobicContact CD1-CD1 3.6Å; N37-L41 PolarHBondContact O-N 3.05Å; L38-L41 HydrophobicContact CD1-CD1 4.35Å; L41-Q43 VanDerWaalsContact C-N 3.29Å; L41-Q43 PolarHBondContact O-N 3.01Å; L41-V44 PolarHBondContact O-N 2.67Å; L41-Y45 HydrophobicContact CB-CD2 4.25Å; L41-Y45 HydrophobicContact CD2-CD2 4.47Å; L41-Y45 HydrophobicContact CD2-CE2 4.08Å; L41-Y45 WeakPolarHBondContact O-CB 3.49Å; L41-Y45 VanDerWaalsContact O-CD2 3.29Å; L41-Y45 WeakPolarHBondContact O-CD2 3.45Å; L41-Y45 PolarHBondContact O-N 2.73Å; L41-Y52 HydrophobicContact CD1-CE2 4.38Å; L41-K82 HydrophobicContact CD1-CD 4.26Å; L41-K82 HydrophobicContact CD2-CD 3.79Å
42Y97.6Very high86.8Confident87 Ų8751.3 Ų51.334%0.34129%0.292SS..Hα-helixtrans-57.9-43.8175.2174-96.4000111.5L6 N9 E40 Y45 S46L6-Y42 HydrophobicContact CB-CD1 3.88Å; L6-Y42 HydrophobicContact CB-CE1 4.13Å; L6-Y42 HydrophobicContact CB-CG 4.08Å; L6-Y42 HydrophobicContact CD1-CD1 3.79Å; L6-Y42 HydrophobicContact CD1-CE1 4.49Å; L6-Y42 HydrophobicContact CD1-CG 4.35Å; L6-Y42 HydrophobicContact CG-CD1 4.42Å; L6-Y42 VanDerWaalsContact N-CD2 3.31Å; N9-Y42 VanDerWaalsContact OD1-CB 3.24Å; N9-Y42 WeakPolarHBondContact OD1-CB 3.41Å; N9-Y42 PolarHBondContact OD1-N 3.26Å; E40-Y42 PolarHBondContact O-N 3.37Å; E40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-Y45 PolarHBondContact O-N 2.97Å; Y42-S46 WeakPolarHBondContact CE2-OG 3.15Å; Y42-S46 WeakPolarHBondContact O-CB 3.44Å; Y42-S46 PolarHBondContact O-N 2.95Å; Y42-S46 PolarHBondContact O-OG 3.42Å
43Q96.9Very high88.8Confident71 Ų7150.7 Ų50.733%0.33229%0.287SS..Hα-helixtrans-65.6-41.9-179.6-67.281.8-25.600110.9N9 E40 L41 Q47N9-Q43 PolarHBondContact ND2-OE1 3.31Å; E40-Q43 VanDerWaalsContact C-OE1 3.31Å; E40-Q43 HydrophobicContact CB-CB 4.38Å; E40-Q43 HydrophobicContact CB-CG 4.46Å; E40-Q43 WeakPolarHBondContact O-CB 3.12Å; E40-Q43 PolarHBondContact O-N 3.46Å; E40-Q43 PolarHBondContact O-OE1 2.84Å; E40-Q43 VanDerWaalsContact O-OE1 3.1Å; L41-Q43 VanDerWaalsContact C-N 3.29Å; L41-Q43 PolarHBondContact O-N 3.01Å; Q43-Q47 PolarHBondContact O-NE2 3.19Å; Q43-Q47 VanDerWaalsContact O-NE2 3.13Å
44V94.6Very high90.8Very high39 Ų3948.8 Ų48.824%0.23628%0.275CS..Hα-helixtrans-64.6-46.3176.5177.60000111.3N37 E40 L41 Q47 H50N37-V44 HydrophobicContact CB-CG2 3.63Å; E40-V44 PolarHBondContact O-N 3.47Å; L41-V44 PolarHBondContact O-N 2.67Å; V44-Q47 WeakPolarHBondContact O-CG 3.31Å; V44-H50 PolarHBondContact O-CD2 3.39Å
45Y96.9Very high92.7Very high4 Ų446.4 Ų46.42%0.01626%0.255CS..Hα-helixtrans-92.53.6-172.9-73.5-81.6000115.1L41 Y42 Q47 H50 A51 Y52 I67 A68 Q81 K82L41-Y45 HydrophobicContact CB-CD2 4.25Å; L41-Y45 HydrophobicContact CD2-CD2 4.47Å; L41-Y45 HydrophobicContact CD2-CE2 4.08Å; L41-Y45 WeakPolarHBondContact O-CB 3.49Å; L41-Y45 VanDerWaalsContact O-CD2 3.29Å; L41-Y45 WeakPolarHBondContact O-CD2 3.45Å; L41-Y45 PolarHBondContact O-N 2.73Å; Y42-Y45 PolarHBondContact O-N 2.97Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Y45-H50 HydrophobicContact CD1-CB 4.08Å; Y45-A51 WeakPolarHBondContact CD1-O 3.44Å; Y45-Y52 HydrophobicContact CD1-CD2 4.07Å; Y45-Y52 AromaticContact CD2-CD2 3.58Å; Y45-Y52 HydrophobicContact CD2-CD2 3.58Å; Y45-Y52 HydrophobicContact CD2-CE2 4.43Å; Y45-Y52 HydrophobicContact CD2-CG 4.11Å; Y45-Y52 AromaticContact CE1-CD2 3.98Å; Y45-Y52 HydrophobicContact CE1-CD2 3.98Å; Y45-Y52 AromaticContact CE2-CD2 3.48Å; Y45-Y52 HydrophobicContact CE2-CD2 3.48Å; Y45-Y52 VanDerWaalsContact CE2-CD2 3.48Å; Y45-Y52 AromaticContact CE2-CE2 3.99Å; Y45-Y52 HydrophobicContact CE2-CE2 3.99Å; Y45-Y52 HydrophobicContact CE2-CG 4.43Å; Y45-Y52 AromaticContact CG-CD2 3.89Å; Y45-Y52 HydrophobicContact CG-CD2 3.89Å; Y45-Y52 HydrophobicContact CG-CG 4.19Å; Y45-Y52 AromaticContact CZ-CD2 3.69Å; Y45-I67 WeakPolarHBondContact CD1-O 3.4Å; Y45-I67 WeakPolarHBondContact CE1-O 3.3Å; Y45-A68 HydrophobicContact CE1-CB 4.39Å; Y45-Q81 VanDerWaalsContact OH-CG 3.31Å; Y45-Q81 WeakPolarHBondContact OH-CG 3.22Å; Y45-Q81 PolarHBondContact OH-NE2 3.43Å; Y45-Q81 PolarHBondContact OH-OE1 2.83Å; Y45-K82 HydrophobicContact CE2-CD 3.94Å; Y45-K82 WeakPolarHBondContact OH-CD 3.48Å; Y45-K82 PolarHBondContact OH-NZ 2.92Å
46S96Very high94Very high61 Ų6148.4 Ų48.443%0.42726%0.263SS..THydrogen-bonded Turntrans-88.9-0.9170.2-64.30000113.1Y42Y42-S46 WeakPolarHBondContact CE2-OG 3.15Å; Y42-S46 WeakPolarHBondContact O-CB 3.44Å; Y42-S46 PolarHBondContact O-N 2.95Å; Y42-S46 PolarHBondContact O-OG 3.42Å
47Q96.3Very high95.1Very high106 Ų10647.1 Ų47.150%0.49525%0.246SC..SBendtrans-76.4157.9178.2-57.3-56-4300112Q43 V44 Y45 G49 H50Q43-Q47 PolarHBondContact O-NE2 3.19Å; Q43-Q47 VanDerWaalsContact O-NE2 3.13Å; V44-Q47 WeakPolarHBondContact O-CG 3.31Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-G49 PolarHBondContact O-N 3.26Å; Q47-H50 WeakPolarHBondContact O-CB 3.49Å; Q47-H50 PolarHBondContact O-N 3.13Å; Q47-H50 VanDerWaalsContact O-N 3.1Å
48P95.4Very high95.6Very high113 Ų11350.6 Ų50.673%0.73426%0.264SS*.THydrogen-bonded Turntrans-54.8139.2174.2-26.235.5000112.9H50P48-H50 PolarHBondContact O-N 3.13Å; P48-H50 PolarHBondContact O-ND1 2.75Å
49G96.5Very high95.8Very high24 Ų2454.1 Ų54.125%0.24730%0.301CS..THydrogen-bonded Turntrans72.42.9-177.300000114.8Q47Q47-G49 PolarHBondContact O-N 3.26Å
50H97.7Very high96Very high42 Ų4255.2 Ų55.219%0.19430%0.303CS..  trans-106.5150.8178.6-60.862000111.6V44 Y45 Q47 P48 I67 A68 P69V44-H50 PolarHBondContact O-CD2 3.39Å; Y45-H50 HydrophobicContact CD1-CB 4.08Å; Q47-H50 WeakPolarHBondContact O-CB 3.49Å; Q47-H50 PolarHBondContact O-N 3.13Å; Q47-H50 VanDerWaalsContact O-N 3.1Å; P48-H50 PolarHBondContact O-N 3.13Å; P48-H50 PolarHBondContact O-ND1 2.75Å; H50-I67 WeakPolarHBondContact CA-O 3.44Å; H50-A68 WeakPolarHBondContact CD2-CB 3.23Å; H50-P69 WeakPolarHBondContact CE1-CD 3.48Å; H50-P69 WeakPolarHBondContact ND1-CD 3.47Å
51A97.8Very high96.2Very high0 Ų050.7 Ų50.70%028%0.283CS..EExtended strand (participates in β ladder)trans-157136.8177.500000112.8Y45 W53 G66 I67 Q105 M109Y45-A51 WeakPolarHBondContact CD1-O 3.44Å; A51-W53 HydrophobicContact CB-CH2 3.53Å; A51-W53 HydrophobicContact CB-CZ2 4.28Å; A51-W53 HydrophobicContact CB-CZ3 3.74Å; A51-G66 CarbonylContact O-C 3.58Å; A51-G66 WeakPolarHBondContact O-CA 3.47Å; A51-I67 HydrophobicContact CB-CD1 4.1Å; A51-I67 HydrophobicContact CB-CG1 3.62Å; A51-I67 PolarHBondContact N-O 3.13Å; A51-I67 PolarHBondContact O-N 2.94Å; A51-Q105 HydrophobicContact CB-CG 4.28Å; A51-M109 HydrophobicContact CB-CE 3.92Å
52Y98.1Very high96.3Very high1 Ų151.1 Ų51.10%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-137.1142.1175.4-155.6-82.4000111.6R3 L4 I12 L41 Y45 V54 G65 K82R3-Y52 PolarHBondContact NH1-O 2.7Å; L4-Y52 HydrophobicContact CB-CD1 4.05Å; L4-Y52 HydrophobicContact CB-CG 4.42Å; L4-Y52 HydrophobicContact CD1-CD1 4.19Å; L4-Y52 HydrophobicContact CD2-CD1 3.96Å; L4-Y52 HydrophobicContact CD2-CG 4.03Å; L4-Y52 HydrophobicContact CG-CD1 4.32Å; L4-Y52 PolarHBondContact N-O 2.87Å; I12-Y52 HydrophobicContact CD1-CE1 4.06Å; I12-Y52 HydrophobicContact CG1-CE1 3.82Å; L41-Y52 HydrophobicContact CD1-CE2 4.38Å; Y45-Y52 HydrophobicContact CD1-CD2 4.07Å; Y45-Y52 AromaticContact CD2-CD2 3.58Å; Y45-Y52 HydrophobicContact CD2-CD2 3.58Å; Y45-Y52 HydrophobicContact CD2-CE2 4.43Å; Y45-Y52 HydrophobicContact CD2-CG 4.11Å; Y45-Y52 AromaticContact CE1-CD2 3.98Å; Y45-Y52 HydrophobicContact CE1-CD2 3.98Å; Y45-Y52 AromaticContact CE2-CD2 3.48Å; Y45-Y52 HydrophobicContact CE2-CD2 3.48Å; Y45-Y52 VanDerWaalsContact CE2-CD2 3.48Å; Y45-Y52 AromaticContact CE2-CE2 3.99Å; Y45-Y52 HydrophobicContact CE2-CE2 3.99Å; Y45-Y52 HydrophobicContact CE2-CG 4.43Å; Y45-Y52 AromaticContact CG-CD2 3.89Å; Y45-Y52 HydrophobicContact CG-CD2 3.89Å; Y45-Y52 HydrophobicContact CG-CG 4.19Å; Y45-Y52 AromaticContact CZ-CD2 3.69Å; Y52-V54 HydrophobicContact CE1-CG1 4.49Å; Y52-G65 WeakPolarHBondContact CA-O 3.47Å; Y52-G65 VanDerWaalsContact CZ-N 3.34Å; Y52-G65 PolarHBondContact OH-N 2.96Å; Y52-K82 HydrophobicContact CE2-CB 3.79Å; Y52-K82 HydrophobicContact CE2-CD 4.3Å; Y52-K82 PolarHBondContact OH-O 3.05Å
53W98.4Very high96.3Very high12 Ų1247 Ų475%0.04527%0.269CS..EExtended strand (participates in β ladder)trans-122.9142.2175.1-63.6-100.3000110.8M1 R2 A51 G64 G65 L98 M101 A102 Q105M1-W53 HydrophobicContact CG-CB 4.11Å; R2-W53 CarbonylContact O-C 3.42Å; R2-W53 WeakPolarHBondContact O-CA 3.3Å; R2-W53 WeakPolarHBondContact O-CB 3.19Å; A51-W53 HydrophobicContact CB-CH2 3.53Å; A51-W53 HydrophobicContact CB-CZ2 4.28Å; A51-W53 HydrophobicContact CB-CZ3 3.74Å; W53-G64 WeakPolarHBondContact O-CA 3.35Å; W53-G65 PolarHBondContact N-O 2.95Å; W53-G65 PolarHBondContact O-N 3.27Å; W53-G65 VanDerWaalsContact O-N 3.12Å; W53-L98 HydrophobicContact CB-CD1 4.38Å; W53-L98 HydrophobicContact CB-CG 4.4Å; W53-L98 HydrophobicContact CE3-CD2 4.44Å; W53-M101 HydrophobicContact CG-SD 4.37Å; W53-M101 HydrophobicContact CZ2-CG 4.35Å; W53-M101 PolarHBondContact NE1-SD 2.93Å; W53-M101 VanDerWaalsContact NE1-SD 3.43Å; W53-A102 HydrophobicContact CE3-CB 4.44Å; W53-A102 HydrophobicContact CH2-CB 4.33Å; W53-A102 HydrophobicContact CZ3-CB 3.81Å; W53-Q105 HydrophobicContact CH2-CB 3.69Å; W53-Q105 HydrophobicContact CH2-CG 3.84Å; W53-Q105 HydrophobicContact CZ2-CB 3.97Å; W53-Q105 HydrophobicContact CZ2-CG 4.03Å
54V98.2Very high96.3Very high0 Ų043.6 Ų43.60%025%0.253CS..EExtended strand (participates in β ladder)trans-103147.7168.6-64.70000110.2M1 R2 L4 D8 Y52 V61 G63M1-V54 CarbonylContact C-O 3.54Å; M1-V54 WeakPolarHBondContact CA-O 3.48Å; R2-V54 HydrophobicContact CG-CG2 3.78Å; R2-V54 PolarHBondContact N-O 3.43Å; R2-V54 PolarHBondContact O-N 2.9Å; L4-V54 HydrophobicContact CD1-CG1 3.48Å; L4-V54 VanDerWaalsContact CD1-CG1 3.48Å; D8-V54 HydrophobicContact CB-CG1 4.24Å; Y52-V54 HydrophobicContact CE1-CG1 4.49Å; V54-V61 HydrophobicContact CB-CG1 4.02Å; V54-V61 HydrophobicContact CB-CG2 4.16Å; V54-V61 HydrophobicContact CG1-CG1 4.04Å; V54-V61 HydrophobicContact CG1-CG2 4.43Å; V54-V61 HydrophobicContact CG2-CG2 4.32Å; V54-G63 WeakPolarHBondContact CA-O 3.42Å
55V97.9Very high96.4Very high4 Ų441.7 Ų41.72%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-104.2120.8171.2-177.20000107.7M1 V61 V62 G63 F85 I89 L94 L98M1-V55 HydrophobicContact CE-CG2 3.8Å; M1-V55 HydrophobicContact CG-CG2 4.31Å; V55-V61 WeakPolarHBondContact O-CA 3.15Å; V55-V62 HydrophobicContact CG1-CG2 4.19Å; V55-V62 VanDerWaalsContact O-CG2 3.23Å; V55-V62 WeakPolarHBondContact O-CG2 3.41Å; V55-V62 PolarHBondContact O-N 3.01Å; V55-G63 PolarHBondContact N-O 3.27Å; V55-G63 PolarHBondContact O-N 2.84Å; V55-F85 HydrophobicContact CG2-CE1 3.92Å; V55-I89 HydrophobicContact CB-CD1 4.24Å; V55-I89 HydrophobicContact CG1-CD1 3.74Å; V55-L94 HydrophobicContact CG1-CD1 3.91Å; V55-L98 HydrophobicContact CG2-CD1 4.04Å
56E96.2Very high96.4Very high80 Ų8041.5 Ų41.537%0.37424%0.241SC..EExtended strand (participates in β ladder)trans-101.4142175.1-67.3177.3150.300110.5R2 E60 V61R2-E56 IonicContact CZ-OE1 3.04Å; R2-E56 IonicContact NE-OE1 3.37Å; R2-E56 PolarHBondContact NE-OE1 3.37Å; R2-E56 IonicContact NE-OE2 2.75Å; R2-E56 PolarHBondContact NE-OE2 2.7Å; R2-E56 IonicContact NH2-OE1 3.58Å; R2-E56 PolarHBondContact NH2-OE1 3.49Å; E56-E60 CarbonylContact C-O 3.55Å; E56-E60 WeakPolarHBondContact CA-O 3.43Å; E56-V61 HydrophobicContact CG-CG2 4.42Å
57F93.6Very high96.5Very high90 Ų9038.6 Ų38.640%0.39522%0.221SC..EExtended strand (participates in β ladder)trans-145.7127172.3-173.2-100.2000107.9G59 E60 V62 I89F57-G59 PolarHBondContact O-N 3.28Å; F57-E60 PolarHBondContact N-O 2.89Å; F57-E60 PolarHBondContact O-N 2.94Å; F57-V62 HydrophobicContact CB-CB 4.46Å; F57-V62 HydrophobicContact CB-CG1 4.16Å; F57-V62 HydrophobicContact CB-CG2 3.52Å; F57-I89 HydrophobicContact CB-CG2 3.94Å; F57-I89 HydrophobicContact CD1-CG2 4.34Å; F57-I89 HydrophobicContact CD2-CG2 4.28Å; F57-I89 HydrophobicContact CG-CG2 3.92Å
58D90.9Very high96.5Very high143 Ų14333.8 Ų33.877%0.76520%0.199SC*.THydrogen-bonded Turntrans49.140.2-175.5-64.8-19.5000114.6E60D58-E60 VanDerWaalsContact C-N 3.27Å; D58-E60 PolarHBondContact O-N 3.44Å
59G91.7Very high96.6Very high75 Ų7530.9 Ų30.977%0.77318%0.18SC*.THydrogen-bonded Turntrans79.8117800000115F57F57-G59 PolarHBondContact O-N 3.28Å
60E95.7Very high96.6Very high104 Ų10430.1 Ų30.149%0.48617%0.17SC..EExtended strand (participates in β ladder)trans-110.2144.9176.6-67-158.9-172.300112.8R14 E56 F57 D58 V62R14-E60 IonicContact NH1-OE2 3.91Å; R14-E60 IonicContact NH2-OE2 2.97Å; R14-E60 PolarHBondContact NH2-OE2 3.44Å; E56-E60 CarbonylContact C-O 3.55Å; E56-E60 WeakPolarHBondContact CA-O 3.43Å; F57-E60 PolarHBondContact N-O 2.89Å; F57-E60 PolarHBondContact O-N 2.94Å; D58-E60 VanDerWaalsContact C-N 3.27Å; D58-E60 PolarHBondContact O-N 3.44Å; E60-V62 HydrophobicContact CB-CG1 4.24Å; E60-V62 PolarHBondContact O-N 2.88Å
61V97.7Very high96.3Very high8 Ų831 Ų315%0.04819%0.185CC..EExtended strand (participates in β ladder)trans-71.2118.5164.9174.70000108.9A11 I12 V15 V54 V55 E56A11-V61 HydrophobicContact CB-CB 3.83Å; A11-V61 HydrophobicContact CB-CG1 4.44Å; A11-V61 HydrophobicContact CB-CG2 4.17Å; I12-V61 HydrophobicContact CB-CG1 4.34Å; I12-V61 HydrophobicContact CD1-CG1 4.2Å; V15-V61 WeakPolarHBondContact CG2-O 3.38Å; V54-V61 HydrophobicContact CB-CG1 4.02Å; V54-V61 HydrophobicContact CB-CG2 4.16Å; V54-V61 HydrophobicContact CG1-CG1 4.04Å; V54-V61 HydrophobicContact CG1-CG2 4.43Å; V54-V61 HydrophobicContact CG2-CG2 4.32Å; V55-V61 WeakPolarHBondContact O-CA 3.15Å; E56-V61 HydrophobicContact CG-CG2 4.42Å
62V97.4Very high96Very high9 Ų934.2 Ų34.26%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-123.82.2-173.9-690000112.6V55 F57 E60 L86 I89V55-V62 HydrophobicContact CG1-CG2 4.19Å; V55-V62 VanDerWaalsContact O-CG2 3.23Å; V55-V62 WeakPolarHBondContact O-CG2 3.41Å; V55-V62 PolarHBondContact O-N 3.01Å; F57-V62 HydrophobicContact CB-CB 4.46Å; F57-V62 HydrophobicContact CB-CG1 4.16Å; F57-V62 HydrophobicContact CB-CG2 3.52Å; E60-V62 HydrophobicContact CB-CG1 4.24Å; E60-V62 PolarHBondContact O-N 2.88Å; V62-L86 HydrophobicContact CB-CB 4.41Å; V62-L86 HydrophobicContact CB-CD1 4.11Å; V62-L86 HydrophobicContact CB-CG 4.48Å; V62-L86 HydrophobicContact CG1-CD1 4.08Å; V62-L86 WeakPolarHBondContact O-CB 3.08Å; V62-L86 WeakPolarHBondContact O-CG 3.41Å; V62-L86 PolarHBondContact O-N 2.82Å; V62-I89 HydrophobicContact CB-CD1 4.17Å; V62-I89 HydrophobicContact CB-CG1 4.47Å; V62-I89 HydrophobicContact CB-CG2 4.4Å; V62-I89 HydrophobicContact CG2-CD1 3.62Å; V62-I89 HydrophobicContact CG2-CG1 4.24Å; V62-I89 HydrophobicContact CG2-CG2 3.86Å
63G97.4Very high95.8Very high0 Ų036 Ų360%023%0.231CC..EExtended strand (participates in β ladder)trans-177.9173.217800000112.8V54 V55 Y84V54-G63 WeakPolarHBondContact CA-O 3.42Å; V55-G63 PolarHBondContact N-O 3.27Å; V55-G63 PolarHBondContact O-N 2.84Å; G63-Y84 CarbonylContact C-O 3.38Å; G63-Y84 WeakPolarHBondContact CA-O 3.42Å
64G97.6Very high95.6Very high0 Ų040.8 Ų40.80%025%0.254CS..EExtended strand (participates in β ladder)trans-175.9177.4176.600000113.5W53 K82 M83 Y84W53-G64 WeakPolarHBondContact O-CA 3.35Å; G64-K82 CarbonylContact C-O 3.59Å; G64-M83 WeakPolarHBondContact O-CA 2.94Å; G64-Y84 PolarHBondContact N-O 3.43Å; G64-Y84 PolarHBondContact O-N 2.87Å
65G97.3Very high95.4Very high0 Ų046.4 Ų46.40%029%0.293CS..EExtended strand (participates in β ladder)trans-176.7155.3-179.700000110.8Y52 W53 K82 M83Y52-G65 WeakPolarHBondContact CA-O 3.47Å; Y52-G65 VanDerWaalsContact CZ-N 3.34Å; Y52-G65 PolarHBondContact OH-N 2.96Å; W53-G65 PolarHBondContact N-O 2.95Å; W53-G65 PolarHBondContact O-N 3.27Å; W53-G65 VanDerWaalsContact O-N 3.12Å; G65-K82 WeakPolarHBondContact CA-O 3.41Å; G65-M83 VanDerWaalsContact CA-SD 3.6Å
66G97Very high95.4Very high0 Ų048 Ų480%030%0.302CS..EExtended strand (participates in β ladder)trans-151.3170.9-178.400000114.8A51 Q81A51-G66 CarbonylContact O-C 3.58Å; A51-G66 WeakPolarHBondContact O-CA 3.47Å; G66-Q81 PolarHBondContact N-O 3.4Å; G66-Q81 PolarHBondContact O-N 3.31Å
67I97.3Very high95.4Very high0 Ų044.2 Ų44.20%028%0.284CS..EExtended strand (participates in β ladder)trans-123.2147.6173.168.7169.5000109.8Y45 H50 A51 E79 L80 A102 Q105 A106 M109Y45-I67 WeakPolarHBondContact CD1-O 3.4Å; Y45-I67 WeakPolarHBondContact CE1-O 3.3Å; H50-I67 WeakPolarHBondContact CA-O 3.44Å; A51-I67 HydrophobicContact CB-CD1 4.1Å; A51-I67 HydrophobicContact CB-CG1 3.62Å; A51-I67 PolarHBondContact N-O 3.13Å; A51-I67 PolarHBondContact O-N 2.94Å; I67-E79 VanDerWaalsContact CA-O 3.23Å; I67-E79 WeakPolarHBondContact CA-O 3.49Å; I67-L80 HydrophobicContact CG2-CD1 4.14Å; I67-A102 HydrophobicContact CG2-CB 3.61Å; I67-Q105 HydrophobicContact CD1-CB 4.44Å; I67-Q105 HydrophobicContact CD1-CG 4.44Å; I67-A106 HydrophobicContact CD1-CB 3.59Å; I67-M109 HydrophobicContact CD1-SD 3.82Å
68A96.7Very high95.6Very high4 Ų440 Ų403%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-146.9162.6168.900000109.6Y45 H50 L70 C78 E79Y45-A68 HydrophobicContact CE1-CB 4.39Å; H50-A68 WeakPolarHBondContact CD2-CB 3.23Å; A68-L70 PolarHBondContact O-N 3.4Å; A68-C78 CarbonylContact O-C 3.38Å; A68-C78 WeakPolarHBondContact O-CA 3.49Å; A68-C78 VanDerWaalsContact O-CB 3.28Å; A68-C78 WeakPolarHBondContact O-CB 3.08Å; A68-E79 PolarHBondContact N-O 2.89Å; A68-E79 PolarHBondContact O-N 2.89Å
69P97.1Very high95.9Very high53 Ų5333.8 Ų33.834%0.34423%0.232SC..EExtended strand (participates in β ladder)trans-54138.5165.1-16.928.6000110.6H50 A71 F111H50-P69 WeakPolarHBondContact CE1-CD 3.48Å; H50-P69 WeakPolarHBondContact ND1-CD 3.47Å; P69-A71 PolarHBondContact O-N 3.12Å; P69-A71 VanDerWaalsContact O-N 3.17Å; P69-F111 HydrophobicContact CB-CE1 4.29Å; P69-F111 HydrophobicContact CB-CZ 4.2Å; P69-F111 HydrophobicContact CG-CZ 4Å
70L95.8Very high96.2Very high7 Ų730.5 Ų30.54%0.03720%0.196CC..  trans-74.4107.7175.7-179.359.5000109.4A68 G72 S73 I77 E79 Y115 L141 T144A68-L70 PolarHBondContact O-N 3.4Å; L70-G72 PolarHBondContact O-N 2.99Å; L70-S73 PolarHBondContact O-N 2.86Å; L70-I77 HydrophobicContact CB-CB 4.27Å; L70-I77 HydrophobicContact CB-CG2 4.01Å; L70-I77 HydrophobicContact CD2-CB 4.36Å; L70-I77 HydrophobicContact CD2-CG2 3.65Å; L70-I77 PolarHBondContact N-O 3.4Å; L70-E79 HydrophobicContact CD1-CB 4.15Å; L70-E79 HydrophobicContact CD1-CG 4.44Å; L70-Y115 HydrophobicContact CD1-CD1 3.8Å; L70-Y115 HydrophobicContact CD1-CE1 4.34Å; L70-Y115 HydrophobicContact CD2-CD1 3.68Å; L70-Y115 HydrophobicContact CD2-CE1 4.41Å; L70-Y115 HydrophobicContact CD2-CG 3.96Å; L70-Y115 HydrophobicContact CG-CD1 4.41Å; L70-L141 HydrophobicContact CD2-CB 3.63Å; L70-T144 HydrophobicContact CD1-CG2 3.78Å
71A91.7Very high96.1Very high60 Ų6026.9 Ų26.950%0.49618%0.179SC..THydrogen-bonded Turntrans-57.6139.4-178.900000111P69 S73 G142 C143P69-A71 PolarHBondContact O-N 3.12Å; P69-A71 VanDerWaalsContact O-N 3.17Å; A71-S73 PolarHBondContact O-N 3.09Å; A71-G142 CarbonylContact O-C 3.39Å; A71-G142 WeakPolarHBondContact O-CA 3.36Å; A71-C143 PolarHBondContact O-N 2.84Å
72G92.9Very high95.8Very high69 Ų6927.5 Ų27.571%0.71118%0.182SC*.THydrogen-bonded Turntrans68.914.1178.200000115.3L70L70-G72 PolarHBondContact O-N 2.99Å
73S93.1Very high95.7Very high38 Ų3828.6 Ų28.627%0.26619%0.186SC..SBendtrans-122.3-174.6177.8-155.50000112.2L70 A71L70-S73 PolarHBondContact O-N 2.86Å; A71-S73 PolarHBondContact O-N 3.09Å
74E93.4Very high95.6Very high112 Ų11229.8 Ų29.852%0.52319%0.191SC..  trans-62.8143.1175.1-61.4175.1-121.200110.8D76 I77 R113E74-D76 WeakPolarHBondContact CB-OD1 3.47Å; E74-D76 PolarHBondContact O-N 2.91Å; E74-D76 VanDerWaalsContact O-N 3.11Å; E74-I77 HydrophobicContact CB-CD1 4.1Å; E74-I77 HydrophobicContact CB-CG1 4.2Å; E74-I77 PolarHBondContact O-N 3.31Å; E74-I77 VanDerWaalsContact O-N 3.1Å; E74-R113 IonicContact OE1-CZ 3.96Å; E74-R113 IonicContact OE1-NH1 3.43Å; E74-R113 IonicContact OE1-NH2 3.35Å; E74-R113 PolarHBondContact OE1-NH2 2.97Å; E74-R113 IonicContact OE2-CZ 2.66Å; E74-R113 IonicContact OE2-NH2 3.5Å; E74-R113 PolarHBondContact OE2-NH2 3.17Å
75S94.8Very high95.5Very high118 Ų11830.8 Ų30.883%0.82520%0.196SC*.THydrogen-bonded Turntrans-67.5-13.7-17356.50000114.5I77S75-I77 VanDerWaalsContact C-N 3.33Å
76D97.1Very high95.4Very high38 Ų3831.6 Ų31.620%0.20320%0.2CC..THydrogen-bonded Turntrans-88.70177.572.5-45.6000113E74 F111 K112 R113E74-D76 WeakPolarHBondContact CB-OD1 3.47Å; E74-D76 PolarHBondContact O-N 2.91Å; E74-D76 VanDerWaalsContact O-N 3.11Å; D76-F111 CarbonylContact O-C 3.51Å; D76-F111 WeakPolarHBondContact O-CA 3.46Å; D76-K112 HydrophobicContact CB-CB 4.12Å; D76-K112 HydrophobicContact CB-CG 3.93Å; D76-K112 PolarHBondContact O-N 3.12Å; D76-R113 PolarHBondContact O-N 2.98Å; D76-R113 IonicContact OD1-CZ 2.71Å; D76-R113 IonicContact OD1-NH2 3.65Å; D76-R113 PolarHBondContact OD1-NH2 2.95Å; D76-R113 IonicContact OD2-CZ 3.55Å; D76-R113 VanDerWaalsContact OD2-CZ 3.32Å; D76-R113 IonicContact OD2-NE 3.03Å; D76-R113 PolarHBondContact OD2-NE 3.43Å; D76-R113 IonicContact OD2-NH2 3.77Å; D76-R113 PolarHBondContact OD2-NH2 3.27Å
77I98Very high95.1Very high1 Ų134.9 Ų34.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-104126179-49179.4000110.3L70 E74 S75 R113 L141L70-I77 HydrophobicContact CB-CB 4.27Å; L70-I77 HydrophobicContact CB-CG2 4.01Å; L70-I77 HydrophobicContact CD2-CB 4.36Å; L70-I77 HydrophobicContact CD2-CG2 3.65Å; L70-I77 PolarHBondContact N-O 3.4Å; E74-I77 HydrophobicContact CB-CD1 4.1Å; E74-I77 HydrophobicContact CB-CG1 4.2Å; E74-I77 PolarHBondContact O-N 3.31Å; E74-I77 VanDerWaalsContact O-N 3.1Å; S75-I77 VanDerWaalsContact C-N 3.33Å; I77-R113 WeakPolarHBondContact CA-O 3.28Å; I77-R113 HydrophobicContact CG1-CB 4.12Å; I77-R113 HydrophobicContact CG2-CB 4.41Å; I77-L141 HydrophobicContact CD1-CD1 4.27Å
78C97.9Very high94.9Very high0 Ų038.2 Ų38.20%025%0.249CC..EExtended strand (participates in β ladder)trans-104.8160.2165.569.30000111.2A68 F111 R113 C114 Y115A68-C78 CarbonylContact O-C 3.38Å; A68-C78 WeakPolarHBondContact O-CA 3.49Å; A68-C78 VanDerWaalsContact O-CB 3.28Å; A68-C78 WeakPolarHBondContact O-CB 3.08Å; C78-F111 HydrophobicContact CB-CB 4.3Å; C78-F111 HydrophobicContact CB-CD1 3.8Å; C78-F111 HydrophobicContact CB-CD2 3.69Å; C78-F111 HydrophobicContact CB-CE1 3.96Å; C78-F111 HydrophobicContact CB-CE2 3.85Å; C78-F111 HydrophobicContact CB-CG 3.67Å; C78-F111 HydrophobicContact CB-CZ 3.98Å; C78-R113 PolarHBondContact N-O 3.33Å; C78-C114 CarbonylContact O-C 3.57Å; C78-C114 WeakPolarHBondContact O-CA 3.37Å; C78-Y115 PolarHBondContact O-N 3.48Å
79E97.1Very high94.7Very high14 Ų1438.2 Ų38.27%0.06525%0.248CC..EExtended strand (participates in β ladder)trans-106.9129.3171.3-168.4-175.8172.100110.7I67 A68 L70 Q81 Y115 H146I67-E79 VanDerWaalsContact CA-O 3.23Å; I67-E79 WeakPolarHBondContact CA-O 3.49Å; A68-E79 PolarHBondContact N-O 2.89Å; A68-E79 PolarHBondContact O-N 2.89Å; L70-E79 HydrophobicContact CD1-CB 4.15Å; L70-E79 HydrophobicContact CD1-CG 4.44Å; E79-Q81 HydrophobicContact CG-CB 4.25Å; E79-Q81 HydrophobicContact CG-CG 4.5Å; E79-Y115 CarbonylContact C-O 3.55Å; E79-Y115 VanDerWaalsContact CA-O 3.28Å; E79-Y115 WeakPolarHBondContact CA-O 3.23Å; E79-Y115 HydrophobicContact CG-CD1 4.43Å; E79-H146 IonicContact OE1-CE1 3.75Å
80L97.3Very high94.4Very high5 Ų539.5 Ų39.53%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-84.1117.9164.2179.670.2000108.7I67 M83 A99 A102 Y115 L116 Y129 F134I67-L80 HydrophobicContact CG2-CD1 4.14Å; L80-M83 HydrophobicContact CD1-CG 4.37Å; L80-M83 HydrophobicContact CD1-SD 3.98Å; L80-M83 HydrophobicContact CD2-CG 4.46Å; L80-M83 HydrophobicContact CG-CG 4.14Å; L80-M83 HydrophobicContact CG-SD 4.36Å; L80-A99 HydrophobicContact CD2-CB 4.06Å; L80-A102 HydrophobicContact CD1-CB 3.87Å; L80-Y115 PolarHBondContact N-O 3.25Å; L80-L116 HydrophobicContact CB-CB 4.44Å; L80-L116 HydrophobicContact CD2-CD2 4.22Å; L80-Y129 HydrophobicContact CD2-CD1 4.37Å; L80-Y129 HydrophobicContact CD2-CE1 3.72Å; L80-F134 HydrophobicContact CD2-CZ 4.36Å
81Q93.5Very high94.2Very high28 Ų2843.4 Ų43.413%0.13129%0.288CS..EExtended strand (participates in β ladder)trans-143.6166.1-168.948.2165.9-34.300112.9Y45 G66 E79 M83Y45-Q81 VanDerWaalsContact OH-CG 3.31Å; Y45-Q81 WeakPolarHBondContact OH-CG 3.22Å; Y45-Q81 PolarHBondContact OH-NE2 3.43Å; Y45-Q81 PolarHBondContact OH-OE1 2.83Å; G66-Q81 PolarHBondContact N-O 3.4Å; G66-Q81 PolarHBondContact O-N 3.31Å; E79-Q81 HydrophobicContact CG-CB 4.25Å; E79-Q81 HydrophobicContact CG-CG 4.5Å; Q81-M83 VanDerWaalsContact C-N 3.26Å; Q81-M83 PolarHBondContact O-N 3.33Å
82K91.6Very high94.2Very high22 Ų2246.6 Ų46.610%0.09629%0.291CS..EExtended strand (participates in β ladder)trans54.841175.1-60-175.8177.873.30113.1T32 D35 L41 Y45 Y52 G64 G65 Y84T32-K82 HydrophobicContact CG2-CG 4.19Å; D35-K82 VanDerWaalsContact OD2-CE 3.23Å; D35-K82 WeakPolarHBondContact OD2-CE 3.42Å; D35-K82 IonicContact OD2-NZ 3.47Å; D35-K82 PolarHBondContact OD2-NZ 3.43Å; L41-K82 HydrophobicContact CD1-CD 4.26Å; L41-K82 HydrophobicContact CD2-CD 3.79Å; Y45-K82 HydrophobicContact CE2-CD 3.94Å; Y45-K82 WeakPolarHBondContact OH-CD 3.48Å; Y45-K82 PolarHBondContact OH-NZ 2.92Å; Y52-K82 HydrophobicContact CE2-CB 3.79Å; Y52-K82 HydrophobicContact CE2-CD 4.3Å; Y52-K82 PolarHBondContact OH-O 3.05Å; G64-K82 CarbonylContact C-O 3.59Å; G65-K82 WeakPolarHBondContact CA-O 3.41Å; K82-Y84 HydrophobicContact CB-CD2 4.37Å; K82-Y84 HydrophobicContact CB-CE2 4.33Å; K82-Y84 WeakPolarHBondContact O-CD2 3.39Å; K82-Y84 PolarHBondContact O-N 3.07Å
83M95.2Very high94.3Very high31 Ų3145.5 Ų45.515%0.15328%0.279CS..EExtended strand (participates in β ladder)trans-79.795.5177.1-68-67.7-7300110.4G64 G65 L80 Q81 F85 L98 A99G64-M83 WeakPolarHBondContact O-CA 2.94Å; G65-M83 VanDerWaalsContact CA-SD 3.6Å; L80-M83 HydrophobicContact CD1-CG 4.37Å; L80-M83 HydrophobicContact CD1-SD 3.98Å; L80-M83 HydrophobicContact CD2-CG 4.46Å; L80-M83 HydrophobicContact CG-CG 4.14Å; L80-M83 HydrophobicContact CG-SD 4.36Å; Q81-M83 VanDerWaalsContact C-N 3.26Å; Q81-M83 PolarHBondContact O-N 3.33Å; M83-F85 HydrophobicContact CB-CE2 4.47Å; M83-F85 HydrophobicContact CE-CE2 3.99Å; M83-F85 HydrophobicContact CE-CZ 4.16Å; M83-L98 HydrophobicContact CE-CB 4.33Å; M83-L98 HydrophobicContact CE-CD2 4.19Å; M83-L98 HydrophobicContact SD-CD2 3.75Å; M83-A99 HydrophobicContact CE-CB 4.12Å
84Y94.3Very high94.4Very high26 Ų2645.8 Ų45.810%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-129.7135.4-175.9-69.3-84.8000111.8I16 V19 S20 T32 G63 G64 K82I16-Y84 HydrophobicContact CB-CD2 4.22Å; I16-Y84 HydrophobicContact CB-CE2 4.43Å; I16-Y84 HydrophobicContact CB-CG 4.4Å; I16-Y84 HydrophobicContact CD1-CD2 4.22Å; I16-Y84 HydrophobicContact CG1-CD2 3.57Å; I16-Y84 HydrophobicContact CG1-CE2 4.11Å; I16-Y84 HydrophobicContact CG1-CG 3.93Å; I16-Y84 HydrophobicContact CG2-CD2 4.03Å; I16-Y84 HydrophobicContact CG2-CE1 4.34Å; I16-Y84 HydrophobicContact CG2-CE2 3.73Å; I16-Y84 HydrophobicContact CG2-CG 4.44Å; V19-Y84 HydrophobicContact CB-CD1 3.76Å; V19-Y84 HydrophobicContact CG1-CD1 3.66Å; V19-Y84 HydrophobicContact CG1-CE1 4.32Å; S20-Y84 VanDerWaalsContact OG-CE1 3.3Å; S20-Y84 WeakPolarHBondContact OG-CE1 3.29Å; S20-Y84 PolarHBondContact OG-OH 3.43Å; T32-Y84 PolarHBondContact OG1-OH 2.66Å; G63-Y84 CarbonylContact C-O 3.38Å; G63-Y84 WeakPolarHBondContact CA-O 3.42Å; G64-Y84 PolarHBondContact N-O 3.43Å; G64-Y84 PolarHBondContact O-N 2.87Å; K82-Y84 HydrophobicContact CB-CD2 4.37Å; K82-Y84 HydrophobicContact CB-CE2 4.33Å; K82-Y84 WeakPolarHBondContact O-CD2 3.39Å; K82-Y84 PolarHBondContact O-N 3.07Å
85F95.6Very high94.6Very high21 Ų2141.7 Ų41.79%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-141126.6-177.1-61.4-100.8000109.8V19 V55 M83 I89 R90 L94 A95 L98V19-F85 WeakPolarHBondContact CG2-O 3.3Å; V55-F85 HydrophobicContact CG2-CE1 3.92Å; M83-F85 HydrophobicContact CB-CE2 4.47Å; M83-F85 HydrophobicContact CE-CE2 3.99Å; M83-F85 HydrophobicContact CE-CZ 4.16Å; F85-I89 HydrophobicContact CB-CD1 4.23Å; F85-I89 HydrophobicContact CB-CG1 4.28Å; F85-I89 HydrophobicContact CD1-CD1 3.67Å; F85-I89 HydrophobicContact CD1-CG1 4.45Å; F85-I89 HydrophobicContact CG-CD1 4.43Å; F85-R90 HydrophobicContact CB-CG 4.44Å; F85-R90 PolarHBondContact O-NE 3.2Å; F85-R90 PolarHBondContact O-NH2 3.02Å; F85-R90 VanDerWaalsContact O-NH2 3.11Å; F85-L94 HydrophobicContact CD1-CB 4.39Å; F85-L94 HydrophobicContact CE1-CB 4.06Å; F85-A95 HydrophobicContact CD2-CB 4.16Å; F85-A95 HydrophobicContact CE1-CB 4.29Å; F85-A95 HydrophobicContact CE2-CB 3.69Å; F85-A95 VanDerWaalsContact CZ-CA 3.43Å; F85-A95 HydrophobicContact CZ-CB 3.78Å; F85-L98 HydrophobicContact CE1-CD1 4.4Å; F85-L98 HydrophobicContact CZ-CB 4.29Å; F85-L98 HydrophobicContact CZ-CD1 3.91Å
86L95.3Very high94.7Very high16 Ų1639.8 Ų39.88%0.08424%0.24CC..  trans-63.4149.1173.6-69.5-176.7000110.8V15 Q18 V19 V62 A88 I89V15-L86 HydrophobicContact CG1-CD2 4.19Å; V15-L86 HydrophobicContact CG1-CG 4.1Å; V15-L86 HydrophobicContact CG2-CD1 4.12Å; V15-L86 HydrophobicContact CG2-CD2 4.39Å; V15-L86 HydrophobicContact CG2-CG 4.05Å; Q18-L86 HydrophobicContact CB-CD2 4.36Å; Q18-L86 HydrophobicContact CG-CD2 4.21Å; V19-L86 HydrophobicContact CG2-CD2 4.07Å; V62-L86 HydrophobicContact CB-CB 4.41Å; V62-L86 HydrophobicContact CB-CD1 4.11Å; V62-L86 HydrophobicContact CB-CG 4.48Å; V62-L86 HydrophobicContact CG1-CD1 4.08Å; V62-L86 WeakPolarHBondContact O-CB 3.08Å; V62-L86 WeakPolarHBondContact O-CG 3.41Å; V62-L86 PolarHBondContact O-N 2.82Å; L86-A88 PolarHBondContact O-N 3.46Å; L86-I89 VanDerWaalsContact O-CG1 3.31Å; L86-I89 WeakPolarHBondContact O-CG1 3.12Å; L86-I89 PolarHBondContact O-N 2.98Å; L86-I89 VanDerWaalsContact O-N 3.1Å
87P92.4Very high94.7Very high69 Ų6944 Ų4445%0.44826%0.256SS..G310 helixtrans-50-36.7-179.1-29.635000114.4I89 R90P87-I89 PolarHBondContact O-N 3.33Å; P87-R90 PolarHBondContact O-N 2.71Å; P87-R90 VanDerWaalsContact O-N 3.17Å
88A91.6Very high94.7Very high71 Ų7143.9 Ų43.959%0.58726%0.256SS*.G310 helixtrans-55.4-23.2-178.400000114.7L86L86-A88 PolarHBondContact O-N 3.46Å
89I92.6Very high94.7Very high3 Ų343.9 Ų43.92%0.01526%0.256CS..G310 helixtrans-118.84.1-176.864.1157.9000114.5V55 F57 V62 F85 L86 P87 L94V55-I89 HydrophobicContact CB-CD1 4.24Å; V55-I89 HydrophobicContact CG1-CD1 3.74Å; F57-I89 HydrophobicContact CB-CG2 3.94Å; F57-I89 HydrophobicContact CD1-CG2 4.34Å; F57-I89 HydrophobicContact CD2-CG2 4.28Å; F57-I89 HydrophobicContact CG-CG2 3.92Å; V62-I89 HydrophobicContact CB-CD1 4.17Å; V62-I89 HydrophobicContact CB-CG1 4.47Å; V62-I89 HydrophobicContact CB-CG2 4.4Å; V62-I89 HydrophobicContact CG2-CD1 3.62Å; V62-I89 HydrophobicContact CG2-CG1 4.24Å; V62-I89 HydrophobicContact CG2-CG2 3.86Å; F85-I89 HydrophobicContact CB-CD1 4.23Å; F85-I89 HydrophobicContact CB-CG1 4.28Å; F85-I89 HydrophobicContact CD1-CD1 3.67Å; F85-I89 HydrophobicContact CD1-CG1 4.45Å; F85-I89 HydrophobicContact CG-CD1 4.43Å; L86-I89 VanDerWaalsContact O-CG1 3.31Å; L86-I89 WeakPolarHBondContact O-CG1 3.12Å; L86-I89 PolarHBondContact O-N 2.98Å; L86-I89 VanDerWaalsContact O-N 3.1Å; P87-I89 PolarHBondContact O-N 3.33Å; I89-L94 HydrophobicContact CB-CD1 3.9Å; I89-L94 HydrophobicContact CD1-CD1 3.97Å; I89-L94 HydrophobicContact CG1-CD1 4.47Å
90R92Very high94.7Very high80 Ų8047 Ų4730%0.30227%0.272SS..THydrogen-bonded Turntrans-68.6155.9176.9-64.2-177-169.11576.9110.9E22 F85 P87 K92E22-R90 IonicContact OE1-CZ 2.66Å; E22-R90 IonicContact OE1-NH1 3.54Å; E22-R90 PolarHBondContact OE1-NH1 2.99Å; E22-R90 IonicContact OE1-NH2 3.5Å; E22-R90 IonicContact OE2-CZ 3.75Å; E22-R90 IonicContact OE2-NH1 3.31Å; E22-R90 PolarHBondContact OE2-NH1 3.11Å; E22-R90 IonicContact OE2-NH2 3.57Å; E22-R90 PolarHBondContact OE2-NH2 2.94Å; F85-R90 HydrophobicContact CB-CG 4.44Å; F85-R90 PolarHBondContact O-NE 3.2Å; F85-R90 PolarHBondContact O-NH2 3.02Å; F85-R90 VanDerWaalsContact O-NH2 3.11Å; P87-R90 PolarHBondContact O-N 2.71Å; P87-R90 VanDerWaalsContact O-N 3.17Å; R90-K92 PolarHBondContact O-N 3.03Å; R90-K92 VanDerWaalsContact O-N 3.15Å
91G90.8Very high94.7Very high89 Ų8949.9 Ų49.992%0.91829%0.286SS*.THydrogen-bonded Turntrans72.1-1-178.100000115.6
92K92.5Very high94.9Very high128 Ų12848.5 Ų48.556%0.55728%0.28SS*.SBendtrans-92.110.8179.4-61179.7-174.4-76.30114.3R90 L94R90-K92 PolarHBondContact O-N 3.03Å; R90-K92 VanDerWaalsContact O-N 3.15Å; K92-L94 HydrophobicContact CB-CD1 4.3Å; K92-L94 HydrophobicContact CB-CG 4.18Å; K92-L94 PolarHBondContact O-N 3.39Å
93G94.5Very high95.2Very high45 Ų4547.7 Ų47.746%0.46428%0.276SS..SBendtrans70.110-178.900000115.5K96 K97G93-K96 PolarHBondContact O-N 2.96Å; G93-K97 PolarHBondContact O-N 2.98Å
94L96.2Very high95.4Very high44 Ų4450.1 Ų50.123%0.2329%0.288CS..Hα-helixtrans-69.5-35.8-176-64.3172.9000113.1V55 F85 I89 K92 K97 L98V55-L94 HydrophobicContact CG1-CD1 3.91Å; F85-L94 HydrophobicContact CD1-CB 4.39Å; F85-L94 HydrophobicContact CE1-CB 4.06Å; I89-L94 HydrophobicContact CB-CD1 3.9Å; I89-L94 HydrophobicContact CD1-CD1 3.97Å; I89-L94 HydrophobicContact CG1-CD1 4.47Å; K92-L94 HydrophobicContact CB-CD1 4.3Å; K92-L94 HydrophobicContact CB-CG 4.18Å; K92-L94 PolarHBondContact O-N 3.39Å; L94-K97 PolarHBondContact O-N 3.23Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 PolarHBondContact O-N 2.99Å
95A95.9Very high95.5Very high26 Ų2651.5 Ų51.522%0.21530%0.295CS..Hα-helixtrans-62.1-45.2174.200000111.6F85 K97 L98 A99 L128F85-A95 HydrophobicContact CD2-CB 4.16Å; F85-A95 HydrophobicContact CE1-CB 4.29Å; F85-A95 HydrophobicContact CE2-CB 3.69Å; F85-A95 VanDerWaalsContact CZ-CA 3.43Å; F85-A95 HydrophobicContact CZ-CB 3.78Å; A95-K97 PolarHBondContact O-N 2.66Å; A95-L98 PolarHBondContact O-N 2.87Å; A95-A99 WeakPolarHBondContact O-CB 3.5Å; A95-A99 PolarHBondContact O-N 2.56Å; A95-L128 HydrophobicContact CB-CD2 3.63Å
96K97Very high95.7Very high79 Ų7950.5 Ų50.534%0.34329%0.291SS..Hα-helixtrans-57.5-48.5173.5-170.6-179.9-179.91710111.5G93 L98 A99 L100 L128 H131 L132G93-K96 PolarHBondContact O-N 2.96Å; K96-L98 VanDerWaalsContact C-N 3.35Å; K96-L98 PolarHBondContact O-N 3.32Å; K96-A99 PolarHBondContact O-N 2.95Å; K96-L100 HydrophobicContact CG-CD1 4.16Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 2.93Å; K96-L128 HydrophobicContact CB-CD1 3.65Å; K96-L128 HydrophobicContact CG-CD1 3.97Å; K96-H131 PolarHBondContact NZ-CD2 2.8Å; K96-H131 PolarHBondContact NZ-NE2 2.99Å; K96-L132 HydrophobicContact CG-CD2 3.94Å
97K97.5Very high95.8Very high125 Ų12555.3 Ų55.354%0.54331%0.308SS..Hα-helixtrans-62-41.9179.5-176.4172.3178.8172.90112.2M1 G93 L94 A95 M101M1-K97 HydrophobicContact CE-CG 4.44Å; G93-K97 PolarHBondContact O-N 2.98Å; L94-K97 PolarHBondContact O-N 3.23Å; A95-K97 PolarHBondContact O-N 2.66Å; K97-M101 WeakPolarHBondContact O-CB 3.48Å; K97-M101 PolarHBondContact O-N 2.97Å
98L98Very high96Very high0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-66-50.4178.5-160.9162.1000110.4M1 W53 V55 M83 F85 L94 A95 K96 L100 M101 A102M1-L98 HydrophobicContact CE-CB 3.54Å; M1-L98 HydrophobicContact CE-CD1 4.13Å; M1-L98 HydrophobicContact CE-CG 3.95Å; M1-L98 HydrophobicContact SD-CB 4.04Å; M1-L98 HydrophobicContact SD-CD1 4.42Å; M1-L98 HydrophobicContact SD-CG 3.96Å; W53-L98 HydrophobicContact CB-CD1 4.38Å; W53-L98 HydrophobicContact CB-CG 4.4Å; W53-L98 HydrophobicContact CE3-CD2 4.44Å; V55-L98 HydrophobicContact CG2-CD1 4.04Å; M83-L98 HydrophobicContact CE-CB 4.33Å; M83-L98 HydrophobicContact CE-CD2 4.19Å; M83-L98 HydrophobicContact SD-CD2 3.75Å; F85-L98 HydrophobicContact CE1-CD1 4.4Å; F85-L98 HydrophobicContact CZ-CB 4.29Å; F85-L98 HydrophobicContact CZ-CD1 3.91Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 PolarHBondContact O-N 2.99Å; A95-L98 PolarHBondContact O-N 2.87Å; K96-L98 VanDerWaalsContact C-N 3.35Å; K96-L98 PolarHBondContact O-N 3.32Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.19Å; L98-M101 PolarHBondContact O-N 2.75Å; L98-M101 VanDerWaalsContact O-N 3.14Å; L98-A102 HydrophobicContact CD2-CB 4.34Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.37Å
99A98Very high96.3Very high0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-57.8-43.2-179.700000112.4L80 M83 A95 K96 A102 M103 L132L80-A99 HydrophobicContact CD2-CB 4.06Å; M83-A99 HydrophobicContact CE-CB 4.12Å; A95-A99 WeakPolarHBondContact O-CB 3.5Å; A95-A99 PolarHBondContact O-N 2.56Å; K96-A99 PolarHBondContact O-N 2.95Å; A99-A102 WeakPolarHBondContact O-CB 3.4Å; A99-A102 PolarHBondContact O-N 2.96Å; A99-M103 WeakPolarHBondContact O-CB 3.33Å; A99-M103 WeakPolarHBondContact O-CE 3.19Å; A99-M103 VanDerWaalsContact O-CG 3.29Å; A99-M103 WeakPolarHBondContact O-CG 3.21Å; A99-M103 PolarHBondContact O-N 2.84Å; A99-L132 HydrophobicContact CB-CD1 3.56Å
100L97.8Very high96.6Very high78 Ų7859.9 Ų59.941%0.40832%0.323SS..Hα-helixtrans-62.1-44.5175.9-74.1169.4000112.5K96 L98 A102 M103 E104 L132K96-L100 HydrophobicContact CG-CD1 4.16Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 2.93Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.19Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-M103 HydrophobicContact CD2-CE 4.1Å; L100-M103 PolarHBondContact O-N 2.83Å; L100-E104 WeakPolarHBondContact O-CB 3.19Å; L100-E104 PolarHBondContact O-N 2.71Å; L100-L132 HydrophobicContact CD1-CD2 4.29Å; L100-L132 HydrophobicContact CD2-CD2 3.7Å; L100-L132 HydrophobicContact CG-CD2 3.78Å
101M97.4Very high96.9Very high66 Ų6656.8 Ų56.833%0.32531%0.312SS..Hα-helixtrans-64.5-40.8177.4-172.9-175-46.200111.9M1 W53 K97 L98 Q105M1-M101 HydrophobicContact CG-CE 4.49Å; M1-M101 HydrophobicContact SD-CE 3.43Å; M1-M101 WeakPolarHBondContact SD-CE 3.43Å; M1-M101 HydrophobicContact SD-SD 4.09Å; W53-M101 HydrophobicContact CG-SD 4.37Å; W53-M101 HydrophobicContact CZ2-CG 4.35Å; W53-M101 PolarHBondContact NE1-SD 2.93Å; W53-M101 VanDerWaalsContact NE1-SD 3.43Å; K97-M101 WeakPolarHBondContact O-CB 3.48Å; K97-M101 PolarHBondContact O-N 2.97Å; L98-M101 PolarHBondContact O-N 2.75Å; L98-M101 VanDerWaalsContact O-N 3.14Å; M101-Q105 WeakPolarHBondContact O-CB 3.23Å; M101-Q105 PolarHBondContact O-N 2.8Å
102A97.9Very high97.2Very high0 Ų058.4 Ų58.40%029%0.293CS..Hα-helixtrans-60.8-48.1175.600000111.7W53 I67 L80 L98 A99 L100 Q105 A106W53-A102 HydrophobicContact CE3-CB 4.44Å; W53-A102 HydrophobicContact CH2-CB 4.33Å; W53-A102 HydrophobicContact CZ3-CB 3.81Å; I67-A102 HydrophobicContact CG2-CB 3.61Å; L80-A102 HydrophobicContact CD1-CB 3.87Å; L98-A102 HydrophobicContact CD2-CB 4.34Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.37Å; A99-A102 WeakPolarHBondContact O-CB 3.4Å; A99-A102 PolarHBondContact O-N 2.96Å; L100-A102 VanDerWaalsContact C-N 3.34Å; A102-Q105 PolarHBondContact O-N 2.95Å; A102-A106 PolarHBondContact O-N 2.79Å
103M97.9Very high97.5Very high4 Ų454.2 Ų54.22%0.0227%0.274CS..Hα-helixtrans-67.7-37.6179.1-71.7-175.7-6100112.7A99 L100 Q105 A106 R107 C114 L132 F134 R155 L157A99-M103 WeakPolarHBondContact O-CB 3.33Å; A99-M103 WeakPolarHBondContact O-CE 3.19Å; A99-M103 VanDerWaalsContact O-CG 3.29Å; A99-M103 WeakPolarHBondContact O-CG 3.21Å; A99-M103 PolarHBondContact O-N 2.84Å; L100-M103 HydrophobicContact CD2-CE 4.1Å; L100-M103 PolarHBondContact O-N 2.83Å; M103-Q105 VanDerWaalsContact C-N 3.35Å; M103-A106 WeakPolarHBondContact O-CB 3.4Å; M103-A106 PolarHBondContact O-N 2.79Å; M103-R107 PolarHBondContact O-N 2.76Å; M103-C114 HydrophobicContact CG-CB 4.49Å; M103-L132 HydrophobicContact CE-CB 4.39Å; M103-L132 HydrophobicContact CE-CD1 4.28Å; M103-L132 HydrophobicContact CE-CD2 4.47Å; M103-F134 HydrophobicContact CE-CE2 4.22Å; M103-F134 HydrophobicContact SD-CE2 3.44Å; M103-F134 WeakPolarHBondContact SD-CE2 3.24Å; M103-F134 HydrophobicContact SD-CZ 3.6Å; M103-F134 VanDerWaalsContact SD-CZ 3.6Å; M103-R155 PolarHBondContact SD-NH1 3.11Å; M103-L157 HydrophobicContact CB-CD2 3.69Å; M103-L157 HydrophobicContact CG-CD2 3.92Å; M103-L157 HydrophobicContact SD-CD2 4.26Å
104E97.8Very high97.7Very high83 Ų8352 Ų5239%0.38825%0.252SS..Hα-helixtrans-63.6-43.2174-177.461-172.400111.1L100 A106 R107 E108L100-E104 WeakPolarHBondContact O-CB 3.19Å; L100-E104 PolarHBondContact O-N 2.71Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 2.88Å; E104-R107 WeakPolarHBondContact O-CB 3.48Å; E104-R107 PolarHBondContact O-N 3.19Å; E104-R107 IonicContact OE1-CZ 3.39Å; E104-R107 IonicContact OE1-NE 3.69Å; E104-R107 IonicContact OE1-NH2 2.76Å; E104-R107 PolarHBondContact OE1-NH2 3.34Å; E104-R107 IonicContact OE2-CZ 3.81Å; E104-R107 IonicContact OE2-NE 2.83Å; E104-R107 PolarHBondContact OE2-NE 3.47Å; E104-R107 IonicContact OE2-NH2 2.76Å; E104-E108 WeakPolarHBondContact O-CG 3.41Å; E104-E108 PolarHBondContact O-N 3.01Å
105Q97.6Very high97.8Very high55 Ų5550 Ų5026%0.25724%0.241SC..Hα-helixtrans-62.1-37.9174.1-173.566.58300112A51 W53 I67 M101 A102 M103 R107 E108 M109A51-Q105 HydrophobicContact CB-CG 4.28Å; W53-Q105 HydrophobicContact CH2-CB 3.69Å; W53-Q105 HydrophobicContact CH2-CG 3.84Å; W53-Q105 HydrophobicContact CZ2-CB 3.97Å; W53-Q105 HydrophobicContact CZ2-CG 4.03Å; I67-Q105 HydrophobicContact CD1-CB 4.44Å; I67-Q105 HydrophobicContact CD1-CG 4.44Å; M101-Q105 WeakPolarHBondContact O-CB 3.23Å; M101-Q105 PolarHBondContact O-N 2.8Å; A102-Q105 PolarHBondContact O-N 2.95Å; M103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-R107 VanDerWaalsContact C-N 3.34Å; Q105-E108 PolarHBondContact NE2-OE2 3.09Å; Q105-E108 PolarHBondContact O-N 3.19Å; Q105-M109 HydrophobicContact CG-CE 3.62Å; Q105-M109 HydrophobicContact CG-SD 4.2Å; Q105-M109 VanDerWaalsContact O-CG 3.26Å; Q105-M109 WeakPolarHBondContact O-CG 3.3Å; Q105-M109 PolarHBondContact O-N 2.98Å
106A98.1Very high97.8Very high0 Ų048.8 Ų48.80%023%0.231CC..Hα-helixtrans-62.4-42.4175.900000111.4I67 A102 M103 E104 E108 M109 G110 F111 L157I67-A106 HydrophobicContact CD1-CB 3.59Å; A102-A106 PolarHBondContact O-N 2.79Å; M103-A106 WeakPolarHBondContact O-CB 3.4Å; M103-A106 PolarHBondContact O-N 2.79Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 2.88Å; A106-E108 VanDerWaalsContact C-N 3.35Å; A106-E108 PolarHBondContact O-N 2.9Å; A106-M109 CarbonylContact O-C 3.58Å; A106-M109 WeakPolarHBondContact O-CB 3.42Å; A106-M109 PolarHBondContact O-N 2.76Å; A106-M109 VanDerWaalsContact O-N 3.12Å; A106-G110 PolarHBondContact O-N 3.05Å; A106-F111 HydrophobicContact CB-CB 4.29Å; A106-F111 HydrophobicContact CB-CD2 3.93Å; A106-F111 WeakPolarHBondContact O-CB 3.45Å; A106-F111 WeakPolarHBondContact O-CD2 3.2Å; A106-F111 PolarHBondContact O-N 3.2Å; A106-F111 VanDerWaalsContact O-N 3.09Å; A106-L157 HydrophobicContact CB-CD1 3.7Å
107R98Very high97.6Very high116 Ų11646 Ų4644%0.43822%0.22SC..Hα-helixtrans-60.9-42.9175.4-165.4-175.768.3743.6111.6M103 E104 Q105 M109 G110M103-R107 PolarHBondContact O-N 2.76Å; E104-R107 WeakPolarHBondContact O-CB 3.48Å; E104-R107 PolarHBondContact O-N 3.19Å; E104-R107 IonicContact OE1-CZ 3.39Å; E104-R107 IonicContact OE1-NE 3.69Å; E104-R107 IonicContact OE1-NH2 2.76Å; E104-R107 PolarHBondContact OE1-NH2 3.34Å; E104-R107 IonicContact OE2-CZ 3.81Å; E104-R107 IonicContact OE2-NE 2.83Å; E104-R107 PolarHBondContact OE2-NE 3.47Å; E104-R107 IonicContact OE2-NH2 2.76Å; Q105-R107 VanDerWaalsContact C-N 3.34Å; R107-M109 VanDerWaalsContact C-N 3.29Å; R107-M109 PolarHBondContact O-N 3.2Å; R107-G110 PolarHBondContact O-N 3.12Å; R107-G110 VanDerWaalsContact O-N 3.08Å
108E97.7Very high97.2Very high125 Ų12540.6 Ų40.658%0.58420%0.197SC*.Hα-helixtrans-63.6-32.7174-69.4177.4172.500112.9E104 Q105 A106 G110E104-E108 WeakPolarHBondContact O-CG 3.41Å; E104-E108 PolarHBondContact O-N 3.01Å; Q105-E108 PolarHBondContact NE2-OE2 3.09Å; Q105-E108 PolarHBondContact O-N 3.19Å; A106-E108 VanDerWaalsContact C-N 3.35Å; A106-E108 PolarHBondContact O-N 2.9Å; E108-G110 PolarHBondContact O-N 3.48Å
109M97.3Very high96.7Very high72 Ų7240.8 Ų40.836%0.35520%0.198SC..THydrogen-bonded Turntrans-75.5-6.5174.5-70.1170.6175.700113.3A51 I67 Q105 A106 R107 F111A51-M109 HydrophobicContact CB-CE 3.92Å; I67-M109 HydrophobicContact CD1-SD 3.82Å; Q105-M109 HydrophobicContact CG-CE 3.62Å; Q105-M109 HydrophobicContact CG-SD 4.2Å; Q105-M109 VanDerWaalsContact O-CG 3.26Å; Q105-M109 WeakPolarHBondContact O-CG 3.3Å; Q105-M109 PolarHBondContact O-N 2.98Å; A106-M109 CarbonylContact O-C 3.58Å; A106-M109 WeakPolarHBondContact O-CB 3.42Å; A106-M109 PolarHBondContact O-N 2.76Å; A106-M109 VanDerWaalsContact O-N 3.12Å; R107-M109 VanDerWaalsContact C-N 3.29Å; R107-M109 PolarHBondContact O-N 3.2Å; M109-F111 HydrophobicContact CB-CD2 3.91Å; M109-F111 HydrophobicContact CB-CE2 3.93Å; M109-F111 HydrophobicContact SD-CE2 4.31Å
110G97.9Very high96.1Very high42 Ų4243 Ų4343%0.43322%0.216SC..THydrogen-bonded Turntrans96.71.917600000115.2A106 R107 E108A106-G110 PolarHBondContact O-N 3.05Å; R107-G110 PolarHBondContact O-N 3.12Å; R107-G110 VanDerWaalsContact O-N 3.08Å; E108-G110 PolarHBondContact O-N 3.48Å
111F98.4Very high95.5Very high16 Ų1646.9 Ų46.97%0.0723%0.23CC..  trans-64.8148.1172.5-62.1-69.5000110.8P69 D76 C78 A106 M109 L157P69-F111 HydrophobicContact CB-CE1 4.29Å; P69-F111 HydrophobicContact CB-CZ 4.2Å; P69-F111 HydrophobicContact CG-CZ 4Å; D76-F111 CarbonylContact O-C 3.51Å; D76-F111 WeakPolarHBondContact O-CA 3.46Å; C78-F111 HydrophobicContact CB-CB 4.3Å; C78-F111 HydrophobicContact CB-CD1 3.8Å; C78-F111 HydrophobicContact CB-CD2 3.69Å; C78-F111 HydrophobicContact CB-CE1 3.96Å; C78-F111 HydrophobicContact CB-CE2 3.85Å; C78-F111 HydrophobicContact CB-CG 3.67Å; C78-F111 HydrophobicContact CB-CZ 3.98Å; A106-F111 HydrophobicContact CB-CB 4.29Å; A106-F111 HydrophobicContact CB-CD2 3.93Å; A106-F111 WeakPolarHBondContact O-CB 3.45Å; A106-F111 WeakPolarHBondContact O-CD2 3.2Å; A106-F111 PolarHBondContact O-N 3.2Å; A106-F111 VanDerWaalsContact O-N 3.09Å; M109-F111 HydrophobicContact CB-CD2 3.91Å; M109-F111 HydrophobicContact CB-CE2 3.93Å; M109-F111 HydrophobicContact SD-CE2 4.31Å; F111-L157 HydrophobicContact CB-CD1 3.96Å
112K98.4Very high95.1Very high122 Ų12245.2 Ų45.253%0.5322%0.222SC..  trans-108.3-26.6178.2-57.9-59.8174.6-171.10112.2D76 L157D76-K112 HydrophobicContact CB-CB 4.12Å; D76-K112 HydrophobicContact CB-CG 3.93Å; D76-K112 PolarHBondContact O-N 3.12Å; K112-L157 WeakPolarHBondContact O-CB 3.09Å; K112-L157 PolarHBondContact O-N 3.13Å
113R98.4Very high94.7Very high40 Ų4052.5 Ų52.515%0.15125%0.254CS..EExtended strand (participates in β ladder)trans-134.9145.1-174.9-68.2173.2-70.8170.5-1.3110.4E74 D76 I77 C78 L154 R155 E156E74-R113 IonicContact OE1-CZ 3.96Å; E74-R113 IonicContact OE1-NH1 3.43Å; E74-R113 IonicContact OE1-NH2 3.35Å; E74-R113 PolarHBondContact OE1-NH2 2.97Å; E74-R113 IonicContact OE2-CZ 2.66Å; E74-R113 IonicContact OE2-NH2 3.5Å; E74-R113 PolarHBondContact OE2-NH2 3.17Å; D76-R113 PolarHBondContact O-N 2.98Å; D76-R113 IonicContact OD1-CZ 2.71Å; D76-R113 IonicContact OD1-NH2 3.65Å; D76-R113 PolarHBondContact OD1-NH2 2.95Å; D76-R113 IonicContact OD2-CZ 3.55Å; D76-R113 VanDerWaalsContact OD2-CZ 3.32Å; D76-R113 IonicContact OD2-NE 3.03Å; D76-R113 PolarHBondContact OD2-NE 3.43Å; D76-R113 IonicContact OD2-NH2 3.77Å; D76-R113 PolarHBondContact OD2-NH2 3.27Å; I77-R113 WeakPolarHBondContact CA-O 3.28Å; I77-R113 HydrophobicContact CG1-CB 4.12Å; I77-R113 HydrophobicContact CG2-CB 4.41Å; C78-R113 PolarHBondContact N-O 3.33Å; R113-L154 HydrophobicContact CB-CD1 4.09Å; R113-R155 CarbonylContact C-O 3.47Å; R113-R155 VanDerWaalsContact CA-O 3.3Å; R113-R155 WeakPolarHBondContact CA-O 3.49Å; R113-E156 VanDerWaalsContact CD-OE1 3.28Å; R113-E156 WeakPolarHBondContact CD-OE1 3.37Å; R113-E156 VanDerWaalsContact CG-OE1 3.28Å; R113-E156 WeakPolarHBondContact CG-OE1 3.33Å; R113-E156 WeakPolarHBondContact CG-OE2 3.18Å
114C98.5Very high94.4Very high0 Ų059 Ų590%028%0.284CS..EExtended strand (participates in β ladder)trans-120.6120.7176.2-169.10000109.4C78 M103 F134 L154 R155 L157C78-C114 CarbonylContact O-C 3.57Å; C78-C114 WeakPolarHBondContact O-CA 3.37Å; M103-C114 HydrophobicContact CG-CB 4.49Å; C114-F134 HydrophobicContact CB-CE1 4.18Å; C114-F134 HydrophobicContact CB-CZ 4.15Å; C114-F134 VanDerWaalsContact O-CE1 3.23Å; C114-F134 WeakPolarHBondContact O-CE1 3.44Å; C114-L154 CarbonylContact O-C 3.56Å; C114-L154 WeakPolarHBondContact O-CA 3.26Å; C114-R155 PolarHBondContact N-O 3.49Å; C114-R155 PolarHBondContact O-N 3.27Å; C114-L157 HydrophobicContact CB-CD1 4.16Å; C114-L157 HydrophobicContact CB-CD2 3.76Å; C114-L157 HydrophobicContact CB-CG 4.02Å
115Y98Very high94.2Very high0 Ų056.1 Ų56.10%028%0.275CS..EExtended strand (participates in β ladder)trans-101.4153.8177.8-177.6-117.4000110.4L70 C78 E79 L80 E117 I137 L141 T144 R152 M153 L154L70-Y115 HydrophobicContact CD1-CD1 3.8Å; L70-Y115 HydrophobicContact CD1-CE1 4.34Å; L70-Y115 HydrophobicContact CD2-CD1 3.68Å; L70-Y115 HydrophobicContact CD2-CE1 4.41Å; L70-Y115 HydrophobicContact CD2-CG 3.96Å; L70-Y115 HydrophobicContact CG-CD1 4.41Å; C78-Y115 PolarHBondContact O-N 3.48Å; E79-Y115 CarbonylContact C-O 3.55Å; E79-Y115 VanDerWaalsContact CA-O 3.28Å; E79-Y115 WeakPolarHBondContact CA-O 3.23Å; E79-Y115 HydrophobicContact CG-CD1 4.43Å; L80-Y115 PolarHBondContact N-O 3.25Å; Y115-E117 HydrophobicContact CD1-CG 4.39Å; Y115-E117 HydrophobicContact CE1-CG 3.39Å; Y115-E117 WeakPolarHBondContact CE1-OE1 2.97Å; Y115-E117 HydrophobicContact CE2-CG 4.47Å; Y115-E117 VanDerWaalsContact CZ-CG 3.44Å; Y115-E117 VanDerWaalsContact OH-CD 3.3Å; Y115-E117 WeakPolarHBondContact OH-CG 3.31Å; Y115-E117 PolarHBondContact OH-OE1 3.19Å; Y115-I137 HydrophobicContact CD2-CD1 4.25Å; Y115-I137 HydrophobicContact CE2-CD1 3.74Å; Y115-I137 HydrophobicContact CE2-CG1 4.38Å; Y115-L141 HydrophobicContact CD1-CB 4.48Å; Y115-L141 HydrophobicContact CD2-CB 4.3Å; Y115-L141 HydrophobicContact CD2-CD1 4.09Å; Y115-L141 HydrophobicContact CE1-CB 4.36Å; Y115-L141 HydrophobicContact CE2-CB 4.21Å; Y115-L141 HydrophobicContact CE2-CD1 4.43Å; Y115-L141 HydrophobicContact CG-CB 4.43Å; Y115-T144 HydrophobicContact CD1-CG2 4.41Å; Y115-T144 HydrophobicContact CE1-CG2 3.87Å; Y115-R152 HydrophobicContact CE2-CB 4.06Å; Y115-R152 WeakPolarHBondContact OH-CD 3.28Å; Y115-R152 WeakPolarHBondContact OH-CG 3.17Å; Y115-M153 CarbonylContact C-O 3.54Å; Y115-M153 WeakPolarHBondContact CA-O 3.15Å; Y115-M153 WeakPolarHBondContact CD2-O 3.42Å; Y115-L154 HydrophobicContact CD2-CD1 4.31Å
116L95.9Very high94Very high1 Ų154.5 Ų54.51%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-151.6156.716562.785.8000110.9L80 Y129 F134 M153L80-L116 HydrophobicContact CB-CB 4.44Å; L80-L116 HydrophobicContact CD2-CD2 4.22Å; L116-Y129 HydrophobicContact CD1-CD2 3.73Å; L116-Y129 HydrophobicContact CD1-CE2 3.99Å; L116-Y129 HydrophobicContact CD1-CG 4.28Å; L116-Y129 HydrophobicContact CD2-CD1 3.47Å; L116-Y129 VanDerWaalsContact CD2-CD1 3.47Å; L116-Y129 HydrophobicContact CD2-CD2 3.64Å; L116-Y129 HydrophobicContact CD2-CE1 3.73Å; L116-Y129 HydrophobicContact CD2-CE2 3.87Å; L116-Y129 HydrophobicContact CD2-CG 3.45Å; L116-Y129 VanDerWaalsContact CD2-CG 3.45Å; L116-Y129 HydrophobicContact CG-CD2 4.39Å; L116-F134 HydrophobicContact CD2-CD1 3.65Å; L116-F134 HydrophobicContact CD2-CD2 4.3Å; L116-F134 HydrophobicContact CD2-CE1 3.46Å; L116-F134 VanDerWaalsContact CD2-CE1 3.46Å; L116-F134 HydrophobicContact CD2-CE2 4.13Å; L116-F134 HydrophobicContact CD2-CG 4.08Å; L116-F134 HydrophobicContact CD2-CZ 3.72Å; L116-F134 HydrophobicContact CG-CD1 4.01Å; L116-F134 HydrophobicContact CG-CE1 3.96Å; L116-M153 HydrophobicContact CD1-CB 3.87Å; L116-M153 HydrophobicContact CD1-CG 3.89Å; L116-M153 HydrophobicContact CD1-SD 3.96Å; L116-M153 HydrophobicContact CG-CB 4.11Å; L116-M153 PolarHBondContact N-O 3.35Å; L116-M153 PolarHBondContact O-N 3.26Å
117E92.4Very high93.9Very high22 Ų2257 Ų5710%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-123.5144.6170.5-62.6-174.7157.100110.3Y115 T144 H146 C149 V151 R152Y115-E117 HydrophobicContact CD1-CG 4.39Å; Y115-E117 HydrophobicContact CE1-CG 3.39Å; Y115-E117 WeakPolarHBondContact CE1-OE1 2.97Å; Y115-E117 HydrophobicContact CE2-CG 4.47Å; Y115-E117 VanDerWaalsContact CZ-CG 3.44Å; Y115-E117 VanDerWaalsContact OH-CD 3.3Å; Y115-E117 WeakPolarHBondContact OH-CG 3.31Å; Y115-E117 PolarHBondContact OH-OE1 3.19Å; E117-T144 HydrophobicContact CG-CG2 4.38Å; E117-T144 PolarHBondContact OE1-OG1 2.9Å; E117-T144 VanDerWaalsContact OE2-CB 3.26Å; E117-T144 WeakPolarHBondContact OE2-CB 3.34Å; E117-T144 WeakPolarHBondContact OE2-CG2 3.29Å; E117-T144 PolarHBondContact OE2-OG1 2.82Å; E117-H146 WeakPolarHBondContact OE2-CB 3.42Å; E117-H146 IonicContact OE2-CG 2.99Å; E117-H146 IonicContact OE2-ND1 2.8Å; E117-H146 PolarHBondContact OE2-ND1 3.04Å; E117-C149 HydrophobicContact CB-CB 3.75Å; E117-V151 CarbonylContact C-O 3.57Å; E117-V151 WeakPolarHBondContact CA-O 3.45Å; E117-R152 HydrophobicContact CG-CG 4.29Å
118T90Very high93.9Very high11 Ų1153.1 Ų53.17%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-151.8179.2176.1-159.90000110.7I126 C149 E150 V151T118-I126 HydrophobicContact CG2-CD1 4.28Å; T118-I126 HydrophobicContact CG2-CG1 3.69Å; T118-C149 CarbonylContact O-C 3.37Å; T118-C149 WeakPolarHBondContact O-CA 3.47Å; T118-C149 WeakPolarHBondContact O-CB 3.24Å; T118-E150 PolarHBondContact O-N 3.08Å; T118-V151 HydrophobicContact CG2-CB 3.72Å; T118-V151 HydrophobicContact CG2-CG1 3.83Å; T118-V151 PolarHBondContact N-O 2.73Å; T118-V151 PolarHBondContact O-N 3.48Å
119T87Confident93.9Very high3 Ų348 Ų482%0.01825%0.252CS..  trans-105.4148.1173168.90000110.2L25 F121 L122 E150L25-T119 HydrophobicContact CD2-CG2 4.36Å; T119-F121 HydrophobicContact CG2-CB 4.13Å; T119-F121 HydrophobicContact CG2-CD2 4.44Å; T119-F121 PolarHBondContact O-N 2.62Å; T119-F121 WeakPolarHBondContact OG1-CD2 3.37Å; T119-F121 PolarHBondContact OG1-N 2.58Å; T119-L122 HydrophobicContact CG2-CB 4.41Å; T119-L122 HydrophobicContact CG2-CD1 3.84Å; T119-L122 HydrophobicContact CG2-CG 3.74Å; T119-L122 PolarHBondContact O-N 3.48Å; T119-E150 WeakPolarHBondContact CA-OE1 3.31Å; T119-E150 WeakPolarHBondContact CB-OE1 3.25Å; T119-E150 PolarHBondContact OG1-OE1 3.1Å
120A86.5Confident93.9Very high47 Ų4749.1 Ų49.139%0.38826%0.256SS..THydrogen-bonded Turntrans-57.7-18.2174.200000113.2L122 E150 V151A120-L122 VanDerWaalsContact C-N 3.3Å; A120-E150 HydrophobicContact CB-CG 4.04Å; A120-E150 VanDerWaalsContact CB-OE1 3.31Å; A120-E150 WeakPolarHBondContact CB-OE1 3.41Å; A120-E150 PolarHBondContact N-OE1 3.25Å; A120-V151 HydrophobicContact CB-CG2 4.16Å
121F85.6Confident93.8Very high159 Ų15953.4 Ų53.470%0.69726%0.264SS*.THydrogen-bonded Turntrans-67.9-27.7172.7-64.5-62.1000113.2T119 K123T119-F121 HydrophobicContact CG2-CB 4.13Å; T119-F121 HydrophobicContact CG2-CD2 4.44Å; T119-F121 PolarHBondContact O-N 2.62Å; T119-F121 WeakPolarHBondContact OG1-CD2 3.37Å; T119-F121 PolarHBondContact OG1-N 2.58Å; F121-K123 VanDerWaalsContact C-N 3.29Å; F121-K123 PolarHBondContact O-N 3.32Å; F121-K123 VanDerWaalsContact O-N 3.1Å
122L87.3Confident93.8Very high31 Ų3153.3 Ų53.316%0.16227%0.265CS..  trans-89.660.1-176.7-64.9175.5000111.5Y23 T119 A120 E124 A125 I126Y23-L122 HydrophobicContact CD1-CD2 3.49Å; Y23-L122 VanDerWaalsContact CD1-CD2 3.49Å; Y23-L122 HydrophobicContact CD2-CD2 4.16Å; Y23-L122 HydrophobicContact CE1-CD2 3.45Å; Y23-L122 VanDerWaalsContact CE1-CD2 3.45Å; Y23-L122 HydrophobicContact CE2-CD2 4.15Å; Y23-L122 HydrophobicContact CG-CD2 3.86Å; T119-L122 HydrophobicContact CG2-CB 4.41Å; T119-L122 HydrophobicContact CG2-CD1 3.84Å; T119-L122 HydrophobicContact CG2-CG 3.74Å; T119-L122 PolarHBondContact O-N 3.48Å; A120-L122 VanDerWaalsContact C-N 3.3Å; L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 3.2Å; L122-A125 HydrophobicContact CB-CB 4.01Å; L122-A125 WeakPolarHBondContact O-CB 3.28Å; L122-A125 PolarHBondContact O-N 3.02Å; L122-I126 PolarHBondContact O-N 2.92Å
123K91.2Very high93.8Very high153 Ų15349.5 Ų49.567%0.66526%0.259SS*.Hα-helixtrans-57.1-38.3-174.1-63.4-174.2-179.1-178.80113.5F121 A125 I126 A127F121-K123 VanDerWaalsContact C-N 3.29Å; F121-K123 PolarHBondContact O-N 3.32Å; F121-K123 VanDerWaalsContact O-N 3.1Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.39Å; K123-I126 PolarHBondContact O-N 3.03Å; K123-A127 WeakPolarHBondContact O-CB 3.28Å; K123-A127 PolarHBondContact O-N 3.02Å
124E90.8Very high93.8Very high140 Ų14047.9 Ų47.965%0.65425%0.254SS*.Hα-helixtrans-66.7-33.9177.6-63.182.3176.500112.1L122 L128L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 3.2Å; E124-L128 WeakPolarHBondContact O-CB 3.47Å; E124-L128 PolarHBondContact O-N 3.37Å; E124-L128 VanDerWaalsContact O-N 3.1Å
125A92.6Very high93.8Very high23 Ų2354.9 Ų54.919%0.1929%0.286CS..Hα-helixtrans-70.6-45.4175.600000110.4L122 K123 A127 L128 Y129L122-A125 HydrophobicContact CB-CB 4.01Å; L122-A125 WeakPolarHBondContact O-CB 3.28Å; L122-A125 PolarHBondContact O-N 3.02Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.39Å; A125-A127 PolarHBondContact O-N 3.3Å; A125-L128 WeakPolarHBondContact O-CB 3.48Å; A125-L128 PolarHBondContact O-N 3.18Å; A125-Y129 HydrophobicContact CB-CD2 4.44Å; A125-Y129 HydrophobicContact CB-CE2 3.89Å; A125-Y129 WeakPolarHBondContact O-CD2 3.36Å; A125-Y129 VanDerWaalsContact O-CG 3.28Å; A125-Y129 PolarHBondContact O-N 2.96Å
126I95Very high93.8Very high21 Ų2159.6 Ų59.611%0.10831%0.308CS..Hα-helixtrans-57.2-52.2176.6-63.9168000110.4T118 L122 K123 L128 Y129 E130 V151T118-I126 HydrophobicContact CG2-CD1 4.28Å; T118-I126 HydrophobicContact CG2-CG1 3.69Å; L122-I126 PolarHBondContact O-N 2.92Å; K123-I126 PolarHBondContact O-N 3.03Å; I126-L128 VanDerWaalsContact C-N 3.26Å; I126-L128 PolarHBondContact O-N 3.37Å; I126-Y129 PolarHBondContact O-N 3.47Å; I126-E130 HydrophobicContact CG2-CG 4.29Å; I126-E130 WeakPolarHBondContact O-CG 3.45Å; I126-E130 PolarHBondContact O-N 3.16Å; I126-V151 HydrophobicContact CD1-CG1 4.31Å; I126-V151 HydrophobicContact CD1-CG2 3.99Å; I126-V151 HydrophobicContact CG1-CG1 4.29Å
127A96.3Very high93.8Very high52 Ų5261.1 Ų61.143%0.4332%0.316SS..Hα-helixtrans-60.4-35.5179.200000112.7K123 A125 H131K123-A127 WeakPolarHBondContact O-CB 3.28Å; K123-A127 PolarHBondContact O-N 3.02Å; A125-A127 PolarHBondContact O-N 3.3Å; A127-H131 WeakPolarHBondContact O-CB 3.43Å; A127-H131 PolarHBondContact O-N 3.2Å; A127-H131 VanDerWaalsContact O-N 3.09Å
128L96.1Very high93.8Very high35 Ų3567 Ų6718%0.18335%0.348CS..Hα-helixtrans-62.5-47.7172.6169.565000111.2A95 K96 E124 A125 I126 H131 L132A95-L128 HydrophobicContact CB-CD2 3.63Å; K96-L128 HydrophobicContact CB-CD1 3.65Å; K96-L128 HydrophobicContact CG-CD1 3.97Å; E124-L128 WeakPolarHBondContact O-CB 3.47Å; E124-L128 PolarHBondContact O-N 3.37Å; E124-L128 VanDerWaalsContact O-N 3.1Å; A125-L128 WeakPolarHBondContact O-CB 3.48Å; A125-L128 PolarHBondContact O-N 3.18Å; I126-L128 VanDerWaalsContact C-N 3.26Å; I126-L128 PolarHBondContact O-N 3.37Å; L128-H131 PolarHBondContact O-N 2.76Å; L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CG 4.2Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 2.87Å
129Y97.7Very high93.8Very high18 Ų1872.2 Ų72.27%0.07137%0.367CS..Hα-helixtrans-68.4-40.8-177.1-61.2-46.5000112.1L80 L116 A125 I126 H131 L132 G133 F134 M153L80-Y129 HydrophobicContact CD2-CD1 4.37Å; L80-Y129 HydrophobicContact CD2-CE1 3.72Å; L116-Y129 HydrophobicContact CD1-CD2 3.73Å; L116-Y129 HydrophobicContact CD1-CE2 3.99Å; L116-Y129 HydrophobicContact CD1-CG 4.28Å; L116-Y129 HydrophobicContact CD2-CD1 3.47Å; L116-Y129 VanDerWaalsContact CD2-CD1 3.47Å; L116-Y129 HydrophobicContact CD2-CD2 3.64Å; L116-Y129 HydrophobicContact CD2-CE1 3.73Å; L116-Y129 HydrophobicContact CD2-CE2 3.87Å; L116-Y129 HydrophobicContact CD2-CG 3.45Å; L116-Y129 VanDerWaalsContact CD2-CG 3.45Å; L116-Y129 HydrophobicContact CG-CD2 4.39Å; A125-Y129 HydrophobicContact CB-CD2 4.44Å; A125-Y129 HydrophobicContact CB-CE2 3.89Å; A125-Y129 WeakPolarHBondContact O-CD2 3.36Å; A125-Y129 VanDerWaalsContact O-CG 3.28Å; A125-Y129 PolarHBondContact O-N 2.96Å; I126-Y129 PolarHBondContact O-N 3.47Å; Y129-H131 VanDerWaalsContact C-N 3.31Å; Y129-H131 PolarHBondContact O-N 2.83Å; Y129-L132 HydrophobicContact CD1-CD1 4.43Å; Y129-L132 CarbonylContact O-C 3.52Å; Y129-L132 WeakPolarHBondContact O-CA 3.47Å; Y129-L132 WeakPolarHBondContact O-CB 3.41Å; Y129-L132 PolarHBondContact O-N 3.17Å; Y129-G133 PolarHBondContact O-N 3.1Å; Y129-F134 HydrophobicContact CD1-CD2 4.44Å; Y129-F134 HydrophobicContact CD1-CE2 4.42Å; Y129-F134 WeakPolarHBondContact O-CB 3.41Å; Y129-F134 WeakPolarHBondContact O-CD2 3.44Å; Y129-F134 PolarHBondContact O-N 2.97Å; Y129-M153 HydrophobicContact CD2-SD 4.36Å
130E97.7Very high94Very high96 Ų9674.6 Ų74.645%0.44939%0.388SS..Hα-helixtrans-56.3-46.5171.1-68.7174.3156.600111.1I126 L132 G133 H136 M153I126-E130 HydrophobicContact CG2-CG 4.29Å; I126-E130 WeakPolarHBondContact O-CG 3.45Å; I126-E130 PolarHBondContact O-N 3.16Å; E130-L132 PolarHBondContact O-N 3.18Å; E130-G133 PolarHBondContact O-N 2.85Å; E130-H136 IonicContact OE1-CD2 3.61Å; E130-H136 IonicContact OE1-CE1 2.71Å; E130-H136 IonicContact OE1-NE2 3.59Å; E130-H136 PolarHBondContact OE1-NE2 3.41Å; E130-M153 HydrophobicContact CG-CE 3.68Å
131H97.1Very high94.2Very high132 Ų13273.4 Ų73.461%0.61138%0.375SS*.Hα-helixtrans-65.7-24.5177.2-176.177000113.3K96 A127 L128 Y129 G133K96-H131 PolarHBondContact NZ-CD2 2.8Å; K96-H131 PolarHBondContact NZ-NE2 2.99Å; A127-H131 WeakPolarHBondContact O-CB 3.43Å; A127-H131 PolarHBondContact O-N 3.2Å; A127-H131 VanDerWaalsContact O-N 3.09Å; L128-H131 PolarHBondContact O-N 2.76Å; Y129-H131 VanDerWaalsContact C-N 3.31Å; Y129-H131 PolarHBondContact O-N 2.83Å; H131-G133 VanDerWaalsContact C-N 3.25Å
132L97.6Very high94.4Very high14 Ų1467.2 Ų67.27%0.07336%0.356CS..THydrogen-bonded Turntrans-82-3.2173.4-71.8175.2000112.8K96 A99 L100 M103 L128 Y129 E130 F134 R155K96-L132 HydrophobicContact CG-CD2 3.94Å; A99-L132 HydrophobicContact CB-CD1 3.56Å; L100-L132 HydrophobicContact CD1-CD2 4.29Å; L100-L132 HydrophobicContact CD2-CD2 3.7Å; L100-L132 HydrophobicContact CG-CD2 3.78Å; M103-L132 HydrophobicContact CE-CB 4.39Å; M103-L132 HydrophobicContact CE-CD1 4.28Å; M103-L132 HydrophobicContact CE-CD2 4.47Å; L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CG 4.2Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 2.87Å; Y129-L132 HydrophobicContact CD1-CD1 4.43Å; Y129-L132 CarbonylContact O-C 3.52Å; Y129-L132 WeakPolarHBondContact O-CA 3.47Å; Y129-L132 WeakPolarHBondContact O-CB 3.41Å; Y129-L132 PolarHBondContact O-N 3.17Å; E130-L132 PolarHBondContact O-N 3.18Å; L132-F134 HydrophobicContact CB-CD2 4.11Å; L132-F134 HydrophobicContact CB-CE2 4.35Å; L132-R155 VanDerWaalsContact O-CD 3.27Å; L132-R155 WeakPolarHBondContact O-CD 3.26Å; L132-R155 PolarHBondContact O-NE 3.1Å
133G98Very high94.1Very high41 Ų4170.2 Ų70.242%0.42338%0.378SS..THydrogen-bonded Turntrans87.621.817900000113.7Y129 E130 H131 R155Y129-G133 PolarHBondContact O-N 3.1Å; E130-G133 PolarHBondContact O-N 2.85Å; H131-G133 VanDerWaalsContact C-N 3.25Å; G133-R155 WeakPolarHBondContact O-CG 3.34Å
134F98.4Very high93.4Very high6 Ų664.5 Ų64.53%0.02636%0.356CS..  trans-76.5136.5164.1-74.1-101.1000109.9L80 M103 C114 L116 Y129 L132 M153 R155L80-F134 HydrophobicContact CD2-CZ 4.36Å; M103-F134 HydrophobicContact CE-CE2 4.22Å; M103-F134 HydrophobicContact SD-CE2 3.44Å; M103-F134 WeakPolarHBondContact SD-CE2 3.24Å; M103-F134 HydrophobicContact SD-CZ 3.6Å; M103-F134 VanDerWaalsContact SD-CZ 3.6Å; C114-F134 HydrophobicContact CB-CE1 4.18Å; C114-F134 HydrophobicContact CB-CZ 4.15Å; C114-F134 VanDerWaalsContact O-CE1 3.23Å; C114-F134 WeakPolarHBondContact O-CE1 3.44Å; L116-F134 HydrophobicContact CD2-CD1 3.65Å; L116-F134 HydrophobicContact CD2-CD2 4.3Å; L116-F134 HydrophobicContact CD2-CE1 3.46Å; L116-F134 VanDerWaalsContact CD2-CE1 3.46Å; L116-F134 HydrophobicContact CD2-CE2 4.13Å; L116-F134 HydrophobicContact CD2-CG 4.08Å; L116-F134 HydrophobicContact CD2-CZ 3.72Å; L116-F134 HydrophobicContact CG-CD1 4.01Å; L116-F134 HydrophobicContact CG-CE1 3.96Å; Y129-F134 HydrophobicContact CD1-CD2 4.44Å; Y129-F134 HydrophobicContact CD1-CE2 4.42Å; Y129-F134 WeakPolarHBondContact O-CB 3.41Å; Y129-F134 WeakPolarHBondContact O-CD2 3.44Å; Y129-F134 PolarHBondContact O-N 2.97Å; L132-F134 HydrophobicContact CB-CD2 4.11Å; L132-F134 HydrophobicContact CB-CE2 4.35Å; F134-M153 HydrophobicContact CB-CB 3.89Å; F134-M153 HydrophobicContact CB-CE 3.74Å; F134-M153 HydrophobicContact CB-SD 4.4Å; F134-M153 HydrophobicContact CD1-CB 4.11Å; F134-M153 HydrophobicContact CG-CB 4.43Å; F134-R155 HydrophobicContact CB-CB 4.4Å; F134-R155 HydrophobicContact CD1-CB 3.59Å; F134-R155 HydrophobicContact CD2-CB 4.03Å; F134-R155 HydrophobicContact CE1-CB 3.75Å; F134-R155 HydrophobicContact CE2-CB 4.18Å; F134-R155 HydrophobicContact CG-CB 3.73Å; F134-R155 HydrophobicContact CZ-CB 4.04Å
135E98.1Very high92.4Very high148 Ų14860.8 Ų60.869%0.69236%0.355SS*.EExtended strand (participates in β ladder)trans-104.5142.6175.2-60.7-174166.500109.5M153 L154E135-M153 CarbonylContact O-C 3.5Å; E135-M153 WeakPolarHBondContact O-CA 3.39Å; E135-M153 WeakPolarHBondContact O-CB 3.48Å; E135-L154 PolarHBondContact N-O 2.8Å; E135-L154 PolarHBondContact O-N 2.81Å
136H97.5Very high91.2Very high99 Ų9961.8 Ų61.846%0.45836%0.356SS..EExtended strand (participates in β ladder)trans-70.3138.4174.8-68.4-98.8000110.3E130 R152E130-H136 IonicContact OE1-CD2 3.61Å; E130-H136 IonicContact OE1-CE1 2.71Å; E130-H136 IonicContact OE1-NE2 3.59Å; E130-H136 PolarHBondContact OE1-NE2 3.41Å; H136-R152 WeakPolarHBondContact CA-O 3.46Å
137I96.7Very high89.6Confident32 Ų3266.5 Ų66.516%0.16439%0.385CS..EExtended strand (participates in β ladder)trans-123.8151.4172.967.3170.2000110.6Y115 Y139 L141 R152 L154Y115-I137 HydrophobicContact CD2-CD1 4.25Å; Y115-I137 HydrophobicContact CE2-CD1 3.74Å; Y115-I137 HydrophobicContact CE2-CG1 4.38Å; I137-Y139 HydrophobicContact CD1-CD2 4.22Å; I137-Y139 HydrophobicContact CD1-CE2 4.01Å; I137-Y139 VanDerWaalsContact CD1-O 3.24Å; I137-Y139 WeakPolarHBondContact CD1-O 3.26Å; I137-Y139 WeakPolarHBondContact CG1-O 3.47Å; I137-L141 HydrophobicContact CD1-CD1 3.94Å; I137-L141 HydrophobicContact CD1-CG 4.15Å; I137-R152 HydrophobicContact CG1-CB 3.8Å; I137-R152 PolarHBondContact N-O 2.95Å; I137-L154 HydrophobicContact CD1-CB 4.38Å; I137-L154 HydrophobicContact CG2-CB 3.99Å
138D92.3Very high88.2Confident145 Ų14567.4 Ų67.478%0.77538%0.383SS*.SBendtrans-94.9-6-174.760.4-17000114R152D138-R152 PolarHBondContact O-NH1 3.42Å
139Y90.7Very high87.2Confident121 Ų12166.5 Ų66.548%0.47538%0.379SS..SBendtrans-119.6151.8177.356.2-92.3000112.4I137 L141 R152I137-Y139 HydrophobicContact CD1-CD2 4.22Å; I137-Y139 HydrophobicContact CD1-CE2 4.01Å; I137-Y139 VanDerWaalsContact CD1-O 3.24Å; I137-Y139 WeakPolarHBondContact CD1-O 3.26Å; I137-Y139 WeakPolarHBondContact CG1-O 3.47Å; Y139-L141 HydrophobicContact CD2-CD2 4.1Å; Y139-L141 HydrophobicContact CD2-CG 4.17Å; Y139-L141 HydrophobicContact CE2-CD1 4.37Å; Y139-L141 HydrophobicContact CE2-CD2 3.72Å; Y139-L141 HydrophobicContact CE2-CG 3.9Å; Y139-R152 VanDerWaalsContact O-CD 3.31Å; Y139-R152 WeakPolarHBondContact O-CD 3.34Å
140A90.4Very high86.5Confident54 Ų5470.7 Ų70.745%0.44640%0.399SS..  trans-77.1142171.800000110.8
141L91.5Very high86.2Confident22 Ų2266.9 Ų66.912%0.11538%0.383CS..  trans-108.8135.3168.4-73.1172.8000109.5L70 I77 Y115 I137 Y139 L154L70-L141 HydrophobicContact CD2-CB 3.63Å; I77-L141 HydrophobicContact CD1-CD1 4.27Å; Y115-L141 HydrophobicContact CD1-CB 4.48Å; Y115-L141 HydrophobicContact CD2-CB 4.3Å; Y115-L141 HydrophobicContact CD2-CD1 4.09Å; Y115-L141 HydrophobicContact CE1-CB 4.36Å; Y115-L141 HydrophobicContact CE2-CB 4.21Å; Y115-L141 HydrophobicContact CE2-CD1 4.43Å; Y115-L141 HydrophobicContact CG-CB 4.43Å; I137-L141 HydrophobicContact CD1-CD1 3.94Å; I137-L141 HydrophobicContact CD1-CG 4.15Å; Y139-L141 HydrophobicContact CD2-CD2 4.1Å; Y139-L141 HydrophobicContact CD2-CG 4.17Å; Y139-L141 HydrophobicContact CE2-CD1 4.37Å; Y139-L141 HydrophobicContact CE2-CD2 3.72Å; Y139-L141 HydrophobicContact CE2-CG 3.9Å; L141-L154 HydrophobicContact CD1-CD1 3.97Å; L141-L154 HydrophobicContact CD1-CD2 4.2Å
142G88.7Confident86Confident29 Ų2964.1 Ų64.130%0.29937%0.367SS..SBendtrans68.9-159.417600000114.7A71A71-G142 CarbonylContact O-C 3.39Å; A71-G142 WeakPolarHBondContact O-CA 3.36Å
143C82.6Confident86Confident94 Ų9463.5 Ų63.564%0.63536%0.364SS*.  trans-124.370.9-176.2-62.70000108.8A71 G145A71-C143 PolarHBondContact O-N 2.84Å; C143-G145 VanDerWaalsContact C-N 3.29Å; C143-G145 PolarHBondContact O-N 3.28Å
144T75.3Confident86Confident32 Ų3262.6 Ų62.620%0.19635%0.349CS..  trans-71-24.8-179.459.30000113.1L70 Y115 E117 H146L70-T144 HydrophobicContact CD1-CG2 3.78Å; Y115-T144 HydrophobicContact CD1-CG2 4.41Å; Y115-T144 HydrophobicContact CE1-CG2 3.87Å; E117-T144 HydrophobicContact CG-CG2 4.38Å; E117-T144 PolarHBondContact OE1-OG1 2.9Å; E117-T144 VanDerWaalsContact OE2-CB 3.26Å; E117-T144 WeakPolarHBondContact OE2-CB 3.34Å; E117-T144 WeakPolarHBondContact OE2-CG2 3.29Å; E117-T144 PolarHBondContact OE2-OG1 2.82Å; T144-H146 PolarHBondContact O-N 2.63Å; T144-H146 PolarHBondContact OG1-N 3.37Å
145G70.7Confident86Confident62 Ų6265.1 Ų65.164%0.63936%0.359SS*.  trans76.41.8-173.800000113.9C143 V147C143-G145 VanDerWaalsContact C-N 3.29Å; C143-G145 PolarHBondContact O-N 3.28Å; G145-V147 PolarHBondContact O-N 3.39Å
146H66.3Low86Confident45 Ų4564.2 Ų64.221%0.20835%0.354CS..  trans-84.896.2175.6-50.2136.7000110.2E79 E117 T144 D148 C149E79-H146 IonicContact OE1-CE1 3.75Å; E117-H146 WeakPolarHBondContact OE2-CB 3.42Å; E117-H146 IonicContact OE2-CG 2.99Å; E117-H146 IonicContact OE2-ND1 2.8Å; E117-H146 PolarHBondContact OE2-ND1 3.04Å; T144-H146 PolarHBondContact O-N 2.63Å; T144-H146 PolarHBondContact OG1-N 3.37Å; H146-D148 VanDerWaalsContact C-N 3.3Å; H146-C149 HydrophobicContact CB-CB 3.86Å
147V61.1Low85.9Confident119 Ų11962.4 Ų62.472%0.72135%0.348SS*.SBendtrans-72.1-24.8176.7-80.80000113.2G145G145-V147 PolarHBondContact O-N 3.39Å
148D67.8Low85.4Confident72 Ų7264 Ų6439%0.38536%0.357SS..SBendtrans-110.55.8-171.5-66.8-52000114.3K29 Y31 H146 E150K29-D148 VanDerWaalsContact C-OD2 3.28Å; Y31-D148 HydrophobicContact CE1-CB 4.16Å; H146-D148 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 3.49Å
149C74Confident85Confident15 Ų1559.7 Ų59.710%0.10134%0.335CS..  trans-86102.8172.9-71.70000110.5E117 T118 H146E117-C149 HydrophobicContact CB-CB 3.75Å; T118-C149 CarbonylContact O-C 3.37Å; T118-C149 WeakPolarHBondContact O-CA 3.47Å; T118-C149 WeakPolarHBondContact O-CB 3.24Å; H146-C149 HydrophobicContact CB-CB 3.86Å
150E83.2Confident84.7Confident106 Ų10656.3 Ų56.350%0.49533%0.327SS..  trans-82.6-19.6-177.964.1-122.4151.500114.6T118 T119 A120 D148T118-E150 PolarHBondContact O-N 3.08Å; T119-E150 WeakPolarHBondContact CA-OE1 3.31Å; T119-E150 WeakPolarHBondContact CB-OE1 3.25Å; T119-E150 PolarHBondContact OG1-OE1 3.1Å; A120-E150 HydrophobicContact CB-CG 4.04Å; A120-E150 VanDerWaalsContact CB-OE1 3.31Å; A120-E150 WeakPolarHBondContact CB-OE1 3.41Å; A120-E150 PolarHBondContact N-OE1 3.25Å; D148-E150 PolarHBondContact O-N 3.49Å
151V91.2Very high84.4Confident17 Ų1756.4 Ų56.410%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-102.8124.7-178.8178.90000109.3E117 T118 A120 I126 M153E117-V151 CarbonylContact C-O 3.57Å; E117-V151 WeakPolarHBondContact CA-O 3.45Å; T118-V151 HydrophobicContact CG2-CB 3.72Å; T118-V151 HydrophobicContact CG2-CG1 3.83Å; T118-V151 PolarHBondContact N-O 2.73Å; T118-V151 PolarHBondContact O-N 3.48Å; A120-V151 HydrophobicContact CB-CG2 4.16Å; I126-V151 HydrophobicContact CD1-CG1 4.31Å; I126-V151 HydrophobicContact CD1-CG2 3.99Å; I126-V151 HydrophobicContact CG1-CG1 4.29Å; V151-M153 HydrophobicContact CG1-CG 3.99Å; V151-M153 HydrophobicContact CG1-SD 4.29Å
152R94.7Very high83.9Confident74 Ų7458.6 Ų58.628%0.27933%0.333SS..EExtended strand (participates in β ladder)trans-126.4131.2-176.3-58.3174-177.3128.77.3108.2Y115 E117 H136 I137 D138 Y139Y115-R152 HydrophobicContact CE2-CB 4.06Å; Y115-R152 WeakPolarHBondContact OH-CD 3.28Å; Y115-R152 WeakPolarHBondContact OH-CG 3.17Å; E117-R152 HydrophobicContact CG-CG 4.29Å; H136-R152 WeakPolarHBondContact CA-O 3.46Å; I137-R152 HydrophobicContact CG1-CB 3.8Å; I137-R152 PolarHBondContact N-O 2.95Å; D138-R152 PolarHBondContact O-NH1 3.42Å; Y139-R152 VanDerWaalsContact O-CD 3.31Å; Y139-R152 WeakPolarHBondContact O-CD 3.34Å
153M97.5Very high83.6Confident0 Ų060.5 Ų60.50%034%0.335CS..EExtended strand (participates in β ladder)trans-138.5145.2-176.3-44.9179.673.100111.7Y115 L116 Y129 E130 F134 E135 V151Y115-M153 CarbonylContact C-O 3.54Å; Y115-M153 WeakPolarHBondContact CA-O 3.15Å; Y115-M153 WeakPolarHBondContact CD2-O 3.42Å; L116-M153 HydrophobicContact CD1-CB 3.87Å; L116-M153 HydrophobicContact CD1-CG 3.89Å; L116-M153 HydrophobicContact CD1-SD 3.96Å; L116-M153 HydrophobicContact CG-CB 4.11Å; L116-M153 PolarHBondContact N-O 3.35Å; L116-M153 PolarHBondContact O-N 3.26Å; Y129-M153 HydrophobicContact CD2-SD 4.36Å; E130-M153 HydrophobicContact CG-CE 3.68Å; F134-M153 HydrophobicContact CB-CB 3.89Å; F134-M153 HydrophobicContact CB-CE 3.74Å; F134-M153 HydrophobicContact CB-SD 4.4Å; F134-M153 HydrophobicContact CD1-CB 4.11Å; F134-M153 HydrophobicContact CG-CB 4.43Å; E135-M153 CarbonylContact O-C 3.5Å; E135-M153 WeakPolarHBondContact O-CA 3.39Å; E135-M153 WeakPolarHBondContact O-CB 3.48Å; V151-M153 HydrophobicContact CG1-CG 3.99Å; V151-M153 HydrophobicContact CG1-SD 4.29Å
154L97.9Very high83.7Confident23 Ų2358.1 Ų58.112%0.1231%0.314CS..EExtended strand (participates in β ladder)trans-130.1144.3-178.9-170.668.5000110.1R113 C114 Y115 E135 I137 L141R113-L154 HydrophobicContact CB-CD1 4.09Å; C114-L154 CarbonylContact O-C 3.56Å; C114-L154 WeakPolarHBondContact O-CA 3.26Å; Y115-L154 HydrophobicContact CD2-CD1 4.31Å; E135-L154 PolarHBondContact N-O 2.8Å; E135-L154 PolarHBondContact O-N 2.81Å; I137-L154 HydrophobicContact CD1-CB 4.38Å; I137-L154 HydrophobicContact CG2-CB 3.99Å; L141-L154 HydrophobicContact CD1-CD1 3.97Å; L141-L154 HydrophobicContact CD1-CD2 4.2Å
155R97.9Very high84.4Confident59 Ų5960.2 Ų60.222%0.22332%0.323CS..EExtended strand (participates in β ladder)trans-137.6135175.8176.9169.6-176.8-102.9-7.7110.7M103 R113 C114 L132 G133 F134M103-R155 PolarHBondContact SD-NH1 3.11Å; R113-R155 CarbonylContact C-O 3.47Å; R113-R155 VanDerWaalsContact CA-O 3.3Å; R113-R155 WeakPolarHBondContact CA-O 3.49Å; C114-R155 PolarHBondContact N-O 3.49Å; C114-R155 PolarHBondContact O-N 3.27Å; L132-R155 VanDerWaalsContact O-CD 3.27Å; L132-R155 WeakPolarHBondContact O-CD 3.26Å; L132-R155 PolarHBondContact O-NE 3.1Å; G133-R155 WeakPolarHBondContact O-CG 3.34Å; F134-R155 HydrophobicContact CB-CB 4.4Å; F134-R155 HydrophobicContact CD1-CB 3.59Å; F134-R155 HydrophobicContact CD2-CB 4.03Å; F134-R155 HydrophobicContact CE1-CB 3.75Å; F134-R155 HydrophobicContact CE2-CB 4.18Å; F134-R155 HydrophobicContact CG-CB 3.73Å; F134-R155 HydrophobicContact CZ-CB 4.04Å
156E97.8Very high85.5Confident129 Ų12960 Ų6060%0.60330%0.297SS*.EExtended strand (participates in β ladder)trans-72.5137.5164.9-63.4-65.3146.900110.5R113R113-E156 VanDerWaalsContact CD-OE1 3.28Å; R113-E156 WeakPolarHBondContact CD-OE1 3.37Å; R113-E156 VanDerWaalsContact CG-OE1 3.28Å; R113-E156 WeakPolarHBondContact CG-OE1 3.33Å; R113-E156 WeakPolarHBondContact CG-OE2 3.18Å
157L96.4Very high87.2Confident61 Ų6161.4 Ų61.432%0.31931%0.305SS..  trans-97.50-174.5-68.4-179.8000114.3M103 A106 F111 K112 C114M103-L157 HydrophobicContact CB-CD2 3.69Å; M103-L157 HydrophobicContact CG-CD2 3.92Å; M103-L157 HydrophobicContact SD-CD2 4.26Å; A106-L157 HydrophobicContact CB-CD1 3.7Å; F111-L157 HydrophobicContact CB-CD1 3.96Å; K112-L157 WeakPolarHBondContact O-CB 3.09Å; K112-L157 PolarHBondContact O-N 3.13Å; C114-L157 HydrophobicContact CB-CD1 4.16Å; C114-L157 HydrophobicContact CB-CD2 3.76Å; C114-L157 HydrophobicContact CB-CG 4.02Å

Retrieved 157 of 157 residues in 78.7 ms (Link to these results)

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