G4VHI6_SCHMA Loading...

N-terminal amino-acid N(alpha)-acetyltransferase NatA

AlphaFold DB , UniProt , Accession G4VHI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 174 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M86.4Confident96.5Very high91 Ų9158.9 Ų58.945%0.44831%0.308SS..  0108.40-169.766.472.800109A45 E46 T47 D48 V53 Y81 I86M1-A45 HydrophobicContact SD-CB 4.43Å; M1-E46 CarbonylContact C-O 3.54Å; M1-E46 VanDerWaalsContact CA-O 3.32Å; M1-E46 WeakPolarHBondContact CA-O 3.41Å; M1-E46 VanDerWaalsContact SD-C 3.59Å; M1-T47 HydrophobicContact CE-CG2 4.3Å; M1-D48 PolarHBondContact N-OD1 2.76Å; M1-V53 HydrophobicContact CE-CG2 3.54Å; M1-V53 HydrophobicContact SD-CG2 3.51Å; M1-V53 VanDerWaalsContact SD-CG2 3.51Å; M1-Y81 HydrophobicContact CE-CD1 3.3Å; M1-Y81 HydrophobicContact CE-CE1 3.77Å; M1-Y81 HydrophobicContact CE-CG 4.15Å; M1-I86 HydrophobicContact CE-CD1 3.84Å; M1-I86 HydrophobicContact CG-CD1 4.29Å; M1-I86 HydrophobicContact SD-CD1 4.18Å
2N95.8Very high96.5Very high76 Ų7661.2 Ų61.241%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-103.9137.7-178.7-177.232.6000109.9A45 E46N2-A45 CarbonylContact O-C 3.56Å; N2-A45 WeakPolarHBondContact O-CA 3.36Å; N2-E46 HydrophobicContact CB-CG 3.91Å; N2-E46 PolarHBondContact N-O 2.92Å; N2-E46 PolarHBondContact ND2-OE1 2.69Å; N2-E46 PolarHBondContact O-N 3.32Å
3V98.1Very high96.6Very high42 Ų4262.2 Ų62.226%0.25533%0.325SS..EExtended strand (participates in β ladder)trans-118.6122.1173.6-174.70000108.4V44 A45 T89 L90 L93V3-V44 WeakPolarHBondContact CA-O 3.32Å; V3-A45 HydrophobicContact CG2-CB 4.15Å; V3-T89 HydrophobicContact CB-CG2 4.38Å; V3-T89 HydrophobicContact CG1-CG2 4.22Å; V3-T89 HydrophobicContact CG2-CG2 4.2Å; V3-L90 HydrophobicContact CG1-CD2 3.73Å; V3-L90 HydrophobicContact CG1-CG 4.47Å; V3-L93 HydrophobicContact CB-CD1 4.37Å; V3-L93 HydrophobicContact CG1-CD1 3.49Å; V3-L93 VanDerWaalsContact CG1-CD1 3.49Å
4R98.4Very high96.8Very high43 Ų4357.7 Ų57.716%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-145.4162.8-174.360.3171.7-17975.32.4111.8R7 D10 Y43 V44 E46R4-R7 VanDerWaalsContact NH2-NH2 3.15Å; R4-D10 IonicContact CZ-OD1 3.02Å; R4-D10 IonicContact CZ-OD2 3.67Å; R4-D10 IonicContact NH1-OD1 3.86Å; R4-D10 IonicContact NH1-OD2 3.89Å; R4-D10 PolarHBondContact NH1-OD2 2.69Å; R4-D10 IonicContact NH2-OD1 2.89Å; R4-D10 PolarHBondContact NH2-OD1 3.17Å; R4-D10 IonicContact NH2-OD2 3.26Å; R4-D10 PolarHBondContact NH2-OD2 2.82Å; R4-Y43 WeakPolarHBondContact O-CA 3.36Å; R4-Y43 WeakPolarHBondContact O-CD1 3.22Å; R4-V44 HydrophobicContact CG-CG2 3.96Å; R4-V44 PolarHBondContact N-O 2.73Å; R4-V44 PolarHBondContact O-N 3.35Å; R4-E46 WeakPolarHBondContact CD-OE1 3.46Å; R4-E46 IonicContact CZ-OE1 2.77Å; R4-E46 IonicContact CZ-OE2 3.32Å; R4-E46 VanDerWaalsContact CZ-OE2 3.26Å; R4-E46 IonicContact NE-OE1 3.61Å; R4-E46 PolarHBondContact NE-OE1 3.21Å; R4-E46 IonicContact NE-OE2 3.19Å; R4-E46 PolarHBondContact NE-OE2 3.44Å; R4-E46 IonicContact NH2-OE2 2.74Å; R4-E46 PolarHBondContact NH2-OE2 2.75Å
5N98.5Very high96.8Very high60 Ų6059.3 Ų59.332%0.32130%0.303SS..EExtended strand (participates in β ladder)trans-61.7140.3172.9178-108.4000110P39 Q40 S42 Y43N5-P39 PolarHBondContact ND2-O 3.45Å; N5-P39 PolarHBondContact OD1-O 2.92Å; N5-Q40 VanDerWaalsContact ND2-C 3.32Å; N5-Q40 WeakPolarHBondContact ND2-CA 3.27Å; N5-Q40 PolarHBondContact ND2-O 3.1Å; N5-Q40 VanDerWaalsContact ND2-O 3.13Å; N5-S42 PolarHBondContact ND2-O 2.99Å; N5-Y43 HydrophobicContact CB-CD1 4.24Å; N5-Y43 HydrophobicContact CB-CE1 3.89Å
6A98.5Very high96.8Very high10 Ų1059.4 Ų59.48%0.08330%0.304CS..PPolyproline II helixtrans-75.8135.5-177.100000110.3M14 S42 V44A6-M14 HydrophobicContact CB-SD 3.91Å; A6-S42 WeakPolarHBondContact CB-O 3.28Å; A6-S42 PolarHBondContact N-O 3.43Å; A6-V44 HydrophobicContact CB-CG1 3.9Å
7R97.4Very high96.9Very high132 Ų13255.9 Ų55.950%0.49829%0.286SS..PPolyproline II helixtrans-100.9159.9174.6-59.3172.1-65.8-175.90.4109.5R4 T9 D10R4-R7 VanDerWaalsContact NH2-NH2 3.15Å; R7-T9 PolarHBondContact O-N 3.1Å; R7-T9 VanDerWaalsContact O-N 3.07Å; R7-D10 WeakPolarHBondContact CB-OD2 3.48Å; R7-D10 PolarHBondContact N-OD2 2.72Å; R7-D10 IonicContact NE-OD2 2.8Å; R7-D10 IonicContact NH2-OD1 2.72Å; R7-D10 WeakPolarHBondContact O-CB 3.17Å; R7-D10 PolarHBondContact O-N 2.83Å
8P95.7Very high96.9Very high81 Ų8152.8 Ų52.853%0.52627%0.27SS..G310 helixtrans-52.3-33173.4-29.536.6000114D10 L11P8-D10 PolarHBondContact O-N 3.21Å; P8-L11 WeakPolarHBondContact O-CB 3.47Å; P8-L11 WeakPolarHBondContact O-CG 3.46Å; P8-L11 PolarHBondContact O-N 2.75Å
9T96.7Very high97Very high102 Ų10255.2 Ų55.263%0.62628%0.283SS*.G310 helixtrans-67-20176.454.30000114R7R7-T9 PolarHBondContact O-N 3.1Å; R7-T9 VanDerWaalsContact O-N 3.07Å
10D98Very high96.9Very high8 Ų858.1 Ų58.14%0.04330%0.299CS..G310 helixtrans-86.6-16-179.6-58.4-49.8000112.5R4 R7 P8 L12 N13 M14 V44 I52R4-D10 IonicContact CZ-OD1 3.02Å; R4-D10 IonicContact CZ-OD2 3.67Å; R4-D10 IonicContact NH1-OD1 3.86Å; R4-D10 IonicContact NH1-OD2 3.89Å; R4-D10 PolarHBondContact NH1-OD2 2.69Å; R4-D10 IonicContact NH2-OD1 2.89Å; R4-D10 PolarHBondContact NH2-OD1 3.17Å; R4-D10 IonicContact NH2-OD2 3.26Å; R4-D10 PolarHBondContact NH2-OD2 2.82Å; R7-D10 WeakPolarHBondContact CB-OD2 3.48Å; R7-D10 PolarHBondContact N-OD2 2.72Å; R7-D10 IonicContact NE-OD2 2.8Å; R7-D10 IonicContact NH2-OD1 2.72Å; R7-D10 WeakPolarHBondContact O-CB 3.17Å; R7-D10 PolarHBondContact O-N 2.83Å; P8-D10 PolarHBondContact O-N 3.21Å; D10-L12 VanDerWaalsContact C-N 3.29Å; D10-L12 PolarHBondContact O-N 2.75Å; D10-N13 WeakPolarHBondContact O-CB 3.32Å; D10-N13 PolarHBondContact O-N 2.6Å; D10-M14 WeakPolarHBondContact O-CG 3.26Å; D10-M14 PolarHBondContact O-N 3.41Å; D10-V44 HydrophobicContact CB-CG1 4.38Å; D10-I52 HydrophobicContact CB-CD1 3.79Å
11L97.5Very high96.8Very high3 Ų356.6 Ų56.62%0.01629%0.293CS..Hα-helixtrans-62.2-34.2-169.6-63.5177.1000113.1P8 M14 R15 M28 F32P8-L11 WeakPolarHBondContact O-CB 3.47Å; P8-L11 WeakPolarHBondContact O-CG 3.46Å; P8-L11 PolarHBondContact O-N 2.75Å; L11-M14 HydrophobicContact CD2-SD 3.88Å; L11-M14 PolarHBondContact O-N 3.48Å; L11-R15 PolarHBondContact O-N 3.33Å; L11-M28 HydrophobicContact CB-CE 3.39Å; L11-M28 HydrophobicContact CD1-CE 4.49Å; L11-F32 HydrophobicContact CD1-CD1 3.5Å; L11-F32 VanDerWaalsContact CD1-CD1 3.5Å; L11-F32 HydrophobicContact CD1-CE1 3.89Å; L11-F32 HydrophobicContact CD1-CG 4.42Å
12L97.3Very high97.3Very high86 Ų8654.3 Ų54.345%0.4528%0.283SS..Hα-helixtrans-64.8-45.1174.7-75.1169.8000111.1D10 M14 R15 D16 M28D10-L12 VanDerWaalsContact C-N 3.29Å; D10-L12 PolarHBondContact O-N 2.75Å; L12-M14 VanDerWaalsContact C-N 3.31Å; L12-M14 PolarHBondContact O-N 2.91Å; L12-R15 WeakPolarHBondContact O-CB 3.29Å; L12-R15 PolarHBondContact O-N 2.86Å; L12-D16 PolarHBondContact O-N 2.9Å; L12-M28 HydrophobicContact CD2-CE 3.95Å; L12-M28 HydrophobicContact CD2-CG 4.47Å; L12-M28 HydrophobicContact CD2-SD 3.76Å; L12-M28 HydrophobicContact CG-CE 4Å; L12-M28 HydrophobicContact CG-SD 4.43Å
13N97.8Very high97.2Very high74 Ų7455.1 Ų55.140%0.39629%0.292SS..Hα-helixtrans-68-31.3177.6-66.9-27.8000111.9D10 D16 C17 I52D10-N13 WeakPolarHBondContact O-CB 3.32Å; D10-N13 PolarHBondContact O-N 2.6Å; N13-D16 PolarHBondContact O-N 3.16Å; N13-C17 WeakPolarHBondContact O-CB 3.3Å; N13-C17 PolarHBondContact O-N 2.96Å; N13-I52 HydrophobicContact CB-CB 4.2Å; N13-I52 HydrophobicContact CB-CD1 3.44Å; N13-I52 VanDerWaalsContact CB-CD1 3.44Å; N13-I52 HydrophobicContact CB-CG1 3.87Å
14M98.4Very high97Very high0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-65.9-40.7171.4-68.9170.663.700111.9A6 D10 L11 L12 C17 N18 Y31 V44 I52 Y55 L57A6-M14 HydrophobicContact CB-SD 3.91Å; D10-M14 WeakPolarHBondContact O-CG 3.26Å; D10-M14 PolarHBondContact O-N 3.41Å; L11-M14 HydrophobicContact CD2-SD 3.88Å; L11-M14 PolarHBondContact O-N 3.48Å; L12-M14 VanDerWaalsContact C-N 3.31Å; L12-M14 PolarHBondContact O-N 2.91Å; M14-C17 PolarHBondContact O-N 3.37Å; M14-N18 WeakPolarHBondContact O-CB 3.49Å; M14-N18 PolarHBondContact O-N 3.47Å; M14-Y31 HydrophobicContact CB-CD1 4.44Å; M14-Y31 HydrophobicContact CB-CE1 4.27Å; M14-V44 HydrophobicContact CG-CG1 3.75Å; M14-V44 HydrophobicContact SD-CG1 3.78Å; M14-I52 HydrophobicContact CG-CD1 4.25Å; M14-Y55 HydrophobicContact CB-CD1 4.43Å; M14-Y55 HydrophobicContact CB-CD2 4.41Å; M14-Y55 HydrophobicContact CB-CG 4.19Å; M14-Y55 HydrophobicContact CE-CD2 3.67Å; M14-Y55 HydrophobicContact CE-CG 4.15Å; M14-Y55 HydrophobicContact CG-CD2 4.5Å; M14-Y55 HydrophobicContact CG-CG 4.11Å; M14-Y55 WeakPolarHBondContact O-CE1 3.26Å; M14-L57 HydrophobicContact CE-CB 4.19Å; M14-L57 HydrophobicContact CE-CD1 3.78Å
15R97.6Very high96.9Very high82 Ų8257 Ų5731%0.30930%0.302SS..Hα-helixtrans-61.2-46173.1179.3-152.568.3-171.1-2.7111L11 L12 C17 N18 L19 Y31L11-R15 PolarHBondContact O-N 3.33Å; L12-R15 WeakPolarHBondContact O-CB 3.29Å; L12-R15 PolarHBondContact O-N 2.86Å; R15-C17 VanDerWaalsContact C-N 3.34Å; R15-C17 PolarHBondContact O-N 2.84Å; R15-N18 VanDerWaalsContact O-CB 3.31Å; R15-N18 WeakPolarHBondContact O-CB 3.35Å; R15-N18 PolarHBondContact O-N 3.22Å; R15-L19 HydrophobicContact CG-CD1 4.14Å; R15-L19 PolarHBondContact O-N 3.49Å; R15-Y31 HydrophobicContact CB-CD2 4.42Å; R15-Y31 HydrophobicContact CB-CE1 4.27Å; R15-Y31 HydrophobicContact CB-CE2 3.94Å; R15-Y31 HydrophobicContact CG-CE2 4Å
16D97.3Very high96.8Very high60 Ų6057.6 Ų57.632%0.32130%0.301SS..Hα-helixtrans-64.4-41.9-179.9-64.4-11.9000111L12 N13 N18 L19 D20L12-D16 PolarHBondContact O-N 2.9Å; N13-D16 PolarHBondContact O-N 3.16Å; D16-N18 VanDerWaalsContact C-N 3.29Å; D16-N18 PolarHBondContact O-N 3.37Å; D16-L19 PolarHBondContact O-N 3.17Å; D16-D20 PolarHBondContact O-N 3.14Å; D16-D20 VanDerWaalsContact O-N 3.08Å
17C97.6Very high96.7Very high1 Ų163.2 Ų63.21%0.00733%0.325CS..Hα-helixtrans-62.9-32.2172.4-173.20000113.1N13 M14 R15 C21 Y55N13-C17 WeakPolarHBondContact O-CB 3.3Å; N13-C17 PolarHBondContact O-N 2.96Å; M14-C17 PolarHBondContact O-N 3.37Å; R15-C17 VanDerWaalsContact C-N 3.34Å; R15-C17 PolarHBondContact O-N 2.84Å; C17-C21 VanDerWaalsContact O-CB 3.24Å; C17-C21 WeakPolarHBondContact O-CB 3.24Å; C17-C21 PolarHBondContact O-N 3.2Å; C17-C21 PolarHBondContact O-SG 3.32Å; C17-Y55 HydrophobicContact CB-CD1 3.89Å; C17-Y55 HydrophobicContact CB-CE1 3.98Å
18N98.1Very high96.7Very high0 Ų058.7 Ų58.70%031%0.31CS..Hα-helixtrans-65.6-51174.7176.4-98.1000110.6M14 R15 D16 D20 C21 L22 E24 N25 Y31 Y55 S74M14-N18 WeakPolarHBondContact O-CB 3.49Å; M14-N18 PolarHBondContact O-N 3.47Å; R15-N18 VanDerWaalsContact O-CB 3.31Å; R15-N18 WeakPolarHBondContact O-CB 3.35Å; R15-N18 PolarHBondContact O-N 3.22Å; D16-N18 VanDerWaalsContact C-N 3.29Å; D16-N18 PolarHBondContact O-N 3.37Å; N18-D20 VanDerWaalsContact C-N 3.27Å; N18-D20 PolarHBondContact O-N 2.88Å; N18-C21 PolarHBondContact O-N 2.94Å; N18-L22 PolarHBondContact O-N 3.21Å; N18-E24 PolarHBondContact ND2-O 3.21Å; N18-E24 VanDerWaalsContact ND2-O 3.12Å; N18-E24 PolarHBondContact OD1-O 2.8Å; N18-N25 WeakPolarHBondContact OD1-CA 3.25Å; N18-N25 PolarHBondContact OD1-OD1 2.99Å; N18-Y31 VanDerWaalsContact CB-OH 3.23Å; N18-Y31 WeakPolarHBondContact CB-OH 3.16Å; N18-Y31 PolarHBondContact OD1-OH 3.45Å; N18-Y55 HydrophobicContact CB-CE1 4.12Å; N18-Y55 WeakPolarHBondContact CB-OH 3.38Å; N18-Y55 PolarHBondContact ND2-OH 3.09Å; N18-S74 PolarHBondContact ND2-OG 3.2Å
19L97.2Very high96.8Very high98 Ų9861.9 Ų61.951%0.51332%0.316SS..Hα-helixtrans-55.6-40.8178.4-75.1159.7000112.2R15 D16 C21 N25R15-L19 HydrophobicContact CG-CD1 4.14Å; R15-L19 PolarHBondContact O-N 3.49Å; D16-L19 PolarHBondContact O-N 3.17Å; L19-C21 VanDerWaalsContact C-N 3.27Å; L19-C21 PolarHBondContact O-N 2.94Å; L19-N25 WeakPolarHBondContact CA-OD1 3.21Å; L19-N25 HydrophobicContact CD2-CB 4.43Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.32Å; L19-N25 WeakPolarHBondContact CG-OD1 3.29Å
20D95.5Very high96.9Very high113 Ų11360.7 Ų60.760%0.60430%0.3SS*.Hα-helixtrans-69.3-23.1177.9-72.9-16000113.7D16 N18 K78D16-D20 PolarHBondContact O-N 3.14Å; D16-D20 VanDerWaalsContact O-N 3.08Å; N18-D20 VanDerWaalsContact C-N 3.27Å; N18-D20 PolarHBondContact O-N 2.88Å; D20-K78 IonicContact OD2-NZ 2.72Å
21C95.4Very high96.9Very high26 Ų2660.3 Ų60.318%0.17630%0.298CS..Hα-helixtrans-117.1-27.5-164.4-69.20000115.1C17 N18 L19 A76C17-C21 VanDerWaalsContact O-CB 3.24Å; C17-C21 WeakPolarHBondContact O-CB 3.24Å; C17-C21 PolarHBondContact O-N 3.2Å; C17-C21 PolarHBondContact O-SG 3.32Å; N18-C21 PolarHBondContact O-N 2.94Å; L19-C21 VanDerWaalsContact C-N 3.27Å; L19-C21 PolarHBondContact O-N 2.94Å; C21-A76 HydrophobicContact CB-CB 3.68Å
22L95.6Very high96.9Very high44 Ų4464.5 Ų64.523%0.2332%0.316CS..  trans-136.2145.4-166.6-63.6176.3000112N18 N25 S74 A76N18-L22 PolarHBondContact O-N 3.21Å; L22-N25 PolarHBondContact O-ND2 2.8Å; L22-S74 VanDerWaalsContact CD1-OG 3.31Å; L22-S74 WeakPolarHBondContact CD1-OG 3.43Å; L22-A76 HydrophobicContact CD1-CB 4.05Å; L22-A76 HydrophobicContact CG-CB 4.27Å
23P93.8Very high96.9Very high92 Ų9264 Ų6460%0.59731%0.309SS*.SBendtrans-76.6-27.4172.826.5-26.1000112.7N25P23-N25 PolarHBondContact O-N 2.8Å; P23-N25 PolarHBondContact O-ND2 2.91Å
24E94.2Very high97Very high51 Ų5160.4 Ų60.424%0.23829%0.29CS..  trans-79.8107.4176-67.572.1-136.500111.5N18 R112 Y138N18-E24 PolarHBondContact ND2-O 3.21Å; N18-E24 VanDerWaalsContact ND2-O 3.12Å; N18-E24 PolarHBondContact OD1-O 2.8Å; E24-R112 IonicContact OE1-CZ 2.76Å; E24-R112 VanDerWaalsContact OE1-CZ 3.27Å; E24-R112 IonicContact OE1-NE 3.96Å; E24-R112 PolarHBondContact OE1-NE 2.91Å; E24-R112 IonicContact OE1-NH2 3.9Å; E24-R112 PolarHBondContact OE1-NH2 3.42Å; E24-R112 IonicContact OE2-NE 2.69Å; E24-Y138 HydrophobicContact CG-CD1 4.09Å; E24-Y138 HydrophobicContact CG-CE1 4.09Å; E24-Y138 WeakPolarHBondContact OE1-CD1 3.36Å
25N96.5Very high96.9Very high74 Ų7461 Ų6140%0.39630%0.296SS..  trans-117150.5-174.8-68.7-83.9000112N18 L19 L22 P23N18-N25 WeakPolarHBondContact OD1-CA 3.25Å; N18-N25 PolarHBondContact OD1-OD1 2.99Å; L19-N25 WeakPolarHBondContact CA-OD1 3.21Å; L19-N25 HydrophobicContact CD2-CB 4.43Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.32Å; L19-N25 WeakPolarHBondContact CG-OD1 3.29Å; L22-N25 PolarHBondContact O-ND2 2.8Å; P23-N25 PolarHBondContact O-N 2.8Å; P23-N25 PolarHBondContact O-ND2 2.91Å
26Y96.5Very high96.9Very high72 Ų7263.3 Ų63.328%0.28231%0.314SS..  trans-127150.3-176.2-46.8-79.8000112.1Y30 Y31 T73Y26-Y30 AromaticContact CD1-CD1 3.54Å; Y26-Y30 HydrophobicContact CD1-CD1 3.54Å; Y26-Y30 AromaticContact CD1-CE1 3.66Å; Y26-Y30 HydrophobicContact CD1-CE1 3.66Å; Y26-Y30 HydrophobicContact CD2-CD1 4.41Å; Y26-Y30 HydrophobicContact CE1-CD1 4.24Å; Y26-Y30 AromaticContact CE1-CE1 3.89Å; Y26-Y30 HydrophobicContact CE1-CE1 3.89Å; Y26-Y30 AromaticContact CG-CD1 3.63Å; Y26-Y30 HydrophobicContact CG-CD1 3.63Å; Y26-Y30 HydrophobicContact CG-CE1 4.12Å; Y26-Y31 HydrophobicContact CD2-CE2 4.45Å; Y26-T73 HydrophobicContact CE2-CG2 4.38Å; Y26-T73 PolarHBondContact OH-O 2.82Å
27Q97.2Very high96.9Very high129 Ų12963.1 Ų63.160%0.60332%0.317SS*.  trans-68.6151.3170.8-67.9-173.8-17.400110.9K29 Y30Q27-K29 HydrophobicContact CB-CG 4.07Å; Q27-K29 PolarHBondContact O-N 2.95Å; Q27-K29 VanDerWaalsContact O-N 3.1Å; Q27-K29 VanDerWaalsContact OE1-NZ 3.1Å; Q27-Y30 WeakPolarHBondContact O-CB 3.24Å; Q27-Y30 PolarHBondContact O-N 3.1Å
28M97.4Very high97Very high36 Ų3664.3 Ų64.318%0.17732%0.321CS..Hα-helixtrans-56.1-32.9-177.8-164.763.8-160.100113.6L11 L12 Y30 Y31 F32L11-M28 HydrophobicContact CB-CE 3.39Å; L11-M28 HydrophobicContact CD1-CE 4.49Å; L12-M28 HydrophobicContact CD2-CE 3.95Å; L12-M28 HydrophobicContact CD2-CG 4.47Å; L12-M28 HydrophobicContact CD2-SD 3.76Å; L12-M28 HydrophobicContact CG-CE 4Å; L12-M28 HydrophobicContact CG-SD 4.43Å; M28-Y30 PolarHBondContact O-N 3.1Å; M28-Y30 VanDerWaalsContact O-N 3.15Å; M28-Y31 WeakPolarHBondContact O-CB 3.28Å; M28-Y31 PolarHBondContact O-N 2.82Å; M28-Y31 VanDerWaalsContact O-N 3.1Å; M28-Y31 HydrophobicContact SD-CD2 4.41Å; M28-F32 HydrophobicContact CB-CE2 4.42Å; M28-F32 HydrophobicContact CE-CD1 4.33Å; M28-F32 HydrophobicContact CE-CD2 4.38Å; M28-F32 HydrophobicContact CE-CE1 3.81Å; M28-F32 HydrophobicContact CE-CE2 3.9Å; M28-F32 HydrophobicContact CE-CZ 3.58Å; M28-F32 HydrophobicContact CG-CD2 3.87Å; M28-F32 HydrophobicContact CG-CE2 3.41Å; M28-F32 VanDerWaalsContact CG-CE2 3.41Å; M28-F32 HydrophobicContact CG-CZ 3.99Å; M28-F32 WeakPolarHBondContact O-CD2 3.4Å; M28-F32 PolarHBondContact O-N 3.13Å
29K97.6Very high97Very high148 Ų14866.8 Ų66.864%0.64334%0.338SS*.Hα-helixtrans-54-33.417472-176-173.7-169.70113Q27 Y33Q27-K29 HydrophobicContact CB-CG 4.07Å; Q27-K29 PolarHBondContact O-N 2.95Å; Q27-K29 VanDerWaalsContact O-N 3.1Å; Q27-K29 VanDerWaalsContact OE1-NZ 3.1Å; K29-Y33 VanDerWaalsContact O-CB 3.29Å; K29-Y33 WeakPolarHBondContact O-CB 3.33Å; K29-Y33 PolarHBondContact O-N 3.22Å
30Y98Very high97Very high78 Ų7865.6 Ų65.631%0.30633%0.33SS..Hα-helixtrans-76.2-35.1-179.2-163.7-124.8000112Y26 Q27 M28 Y33 H34 T73Y26-Y30 AromaticContact CD1-CD1 3.54Å; Y26-Y30 HydrophobicContact CD1-CD1 3.54Å; Y26-Y30 AromaticContact CD1-CE1 3.66Å; Y26-Y30 HydrophobicContact CD1-CE1 3.66Å; Y26-Y30 HydrophobicContact CD2-CD1 4.41Å; Y26-Y30 HydrophobicContact CE1-CD1 4.24Å; Y26-Y30 AromaticContact CE1-CE1 3.89Å; Y26-Y30 HydrophobicContact CE1-CE1 3.89Å; Y26-Y30 AromaticContact CG-CD1 3.63Å; Y26-Y30 HydrophobicContact CG-CD1 3.63Å; Y26-Y30 HydrophobicContact CG-CE1 4.12Å; Q27-Y30 WeakPolarHBondContact O-CB 3.24Å; Q27-Y30 PolarHBondContact O-N 3.1Å; M28-Y30 PolarHBondContact O-N 3.1Å; M28-Y30 VanDerWaalsContact O-N 3.15Å; Y30-Y33 HydrophobicContact CD2-CD1 4.3Å; Y30-Y33 HydrophobicContact CE2-CD1 4.33Å; Y30-Y33 PolarHBondContact O-N 2.88Å; Y30-H34 AromaticContact CD1-CE1 3.94Å; Y30-H34 AromaticContact CE1-CE1 3.53Å; Y30-H34 AromaticContact CE2-CE1 3.74Å; Y30-H34 AromaticContact CZ-CE1 3.42Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.42Å; Y30-H34 PolarHBondContact O-N 3.15Å; Y30-H34 VanDerWaalsContact O-N 3.13Å; Y30-H34 PolarHBondContact O-ND1 3.33Å; Y30-T73 HydrophobicContact CE1-CG2 3.58Å
31Y98.3Very high97.2Very high0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-64.9-45.2170.6-70.5-93.2000111.2M14 R15 N18 Y26 M28 Y33 H34 G35 L57M14-Y31 HydrophobicContact CB-CD1 4.44Å; M14-Y31 HydrophobicContact CB-CE1 4.27Å; R15-Y31 HydrophobicContact CB-CD2 4.42Å; R15-Y31 HydrophobicContact CB-CE1 4.27Å; R15-Y31 HydrophobicContact CB-CE2 3.94Å; R15-Y31 HydrophobicContact CG-CE2 4Å; N18-Y31 VanDerWaalsContact CB-OH 3.23Å; N18-Y31 WeakPolarHBondContact CB-OH 3.16Å; N18-Y31 PolarHBondContact OD1-OH 3.45Å; Y26-Y31 HydrophobicContact CD2-CE2 4.45Å; M28-Y31 WeakPolarHBondContact O-CB 3.28Å; M28-Y31 PolarHBondContact O-N 2.82Å; M28-Y31 VanDerWaalsContact O-N 3.1Å; M28-Y31 HydrophobicContact SD-CD2 4.41Å; Y31-Y33 VanDerWaalsContact C-N 3.35Å; Y31-H34 PolarHBondContact O-N 2.95Å; Y31-G35 PolarHBondContact O-N 3.02Å; Y31-L57 HydrophobicContact CD1-CD1 4.4Å; Y31-L57 HydrophobicContact CD1-CD2 4.09Å; Y31-L57 HydrophobicContact CE1-CD2 4.11Å
32F97.8Very high97.4Very high90 Ų9059.1 Ų59.140%0.39529%0.294SS..Hα-helixtrans-61.8-43.4175.2-72.1-51.6000112L11 M28 H34 G35 L36L11-F32 HydrophobicContact CD1-CD1 3.5Å; L11-F32 VanDerWaalsContact CD1-CD1 3.5Å; L11-F32 HydrophobicContact CD1-CE1 3.89Å; L11-F32 HydrophobicContact CD1-CG 4.42Å; M28-F32 HydrophobicContact CB-CE2 4.42Å; M28-F32 HydrophobicContact CE-CD1 4.33Å; M28-F32 HydrophobicContact CE-CD2 4.38Å; M28-F32 HydrophobicContact CE-CE1 3.81Å; M28-F32 HydrophobicContact CE-CE2 3.9Å; M28-F32 HydrophobicContact CE-CZ 3.58Å; M28-F32 HydrophobicContact CG-CD2 3.87Å; M28-F32 HydrophobicContact CG-CE2 3.41Å; M28-F32 VanDerWaalsContact CG-CE2 3.41Å; M28-F32 HydrophobicContact CG-CZ 3.99Å; M28-F32 WeakPolarHBondContact O-CD2 3.4Å; M28-F32 PolarHBondContact O-N 3.13Å; F32-H34 VanDerWaalsContact C-N 3.32Å; F32-H34 PolarHBondContact O-N 3.48Å; F32-G35 PolarHBondContact O-N 2.97Å; F32-L36 HydrophobicContact CB-CD1 4.41Å; F32-L36 VanDerWaalsContact O-CB 3.29Å; F32-L36 WeakPolarHBondContact O-CB 3.3Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 3.03Å
33Y98.1Very high97.5Very high75 Ų7558.9 Ų58.929%0.29429%0.29SS..Hα-helixtrans-53.8-48.1175.3173.6-104.1000111.9K29 Y30 Y31 S37 W38 E62K29-Y33 VanDerWaalsContact O-CB 3.29Å; K29-Y33 WeakPolarHBondContact O-CB 3.33Å; K29-Y33 PolarHBondContact O-N 3.22Å; Y30-Y33 HydrophobicContact CD2-CD1 4.3Å; Y30-Y33 HydrophobicContact CE2-CD1 4.33Å; Y30-Y33 PolarHBondContact O-N 2.88Å; Y31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-S37 VanDerWaalsContact O-CB 3.25Å; Y33-S37 WeakPolarHBondContact O-CB 3.35Å; Y33-S37 PolarHBondContact O-N 3.04Å; Y33-S37 PolarHBondContact O-OG 2.93Å; Y33-W38 HydrophobicContact CD1-CZ3 4.35Å; Y33-W38 AromaticContact CE1-CH2 3.92Å; Y33-W38 HydrophobicContact CE1-CH2 3.92Å; Y33-W38 AromaticContact CE1-CZ3 3.63Å; Y33-W38 HydrophobicContact CE1-CZ3 3.63Å; Y33-W38 AromaticContact CZ-CH2 3.89Å; Y33-W38 AromaticContact CZ-CZ3 3.95Å; Y33-W38 VanDerWaalsContact OH-CH2 3.26Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.34Å; Y33-E62 PolarHBondContact OH-OE1 3Å; Y33-E62 PolarHBondContact OH-OE2 3.14Å
34H98.4Very high97.8Very high0 Ų054.5 Ų54.50%026%0.261CS..Hα-helixtrans-62.3-50.2174.8-76.970.4000112.9Y30 Y31 F32 L36 S37 W38 L57 T73Y30-H34 AromaticContact CD1-CE1 3.94Å; Y30-H34 AromaticContact CE1-CE1 3.53Å; Y30-H34 AromaticContact CE2-CE1 3.74Å; Y30-H34 AromaticContact CZ-CE1 3.42Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.42Å; Y30-H34 PolarHBondContact O-N 3.15Å; Y30-H34 VanDerWaalsContact O-N 3.13Å; Y30-H34 PolarHBondContact O-ND1 3.33Å; Y31-H34 PolarHBondContact O-N 2.95Å; F32-H34 VanDerWaalsContact C-N 3.32Å; F32-H34 PolarHBondContact O-N 3.48Å; H34-L36 PolarHBondContact O-N 3.29Å; H34-S37 PolarHBondContact O-N 3.47Å; H34-W38 CarbonylContact O-C 3.53Å; H34-W38 PolarHBondContact O-N 3.08Å; H34-L57 HydrophobicContact CB-CD1 3.61Å; H34-L57 HydrophobicContact CB-CG 4.25Å; H34-T73 PolarHBondContact NE2-OG1 3.08Å
35G97.3Very high98Very high12 Ų1252 Ų5212%0.12425%0.25CC..Hα-helixtrans-67.2-21.8-175.400000114.1Y31 F32 P39Y31-G35 PolarHBondContact O-N 3.02Å; F32-G35 PolarHBondContact O-N 2.97Å; G35-P39 WeakPolarHBondContact O-CB 3.33Å
36L97.3Very high98Very high131 Ų13149.8 Ų49.869%0.68624%0.237SC*.Hα-helixtrans-95.9-34.3177.9-64.3174.2000112.5F32 H34F32-L36 HydrophobicContact CB-CD1 4.41Å; F32-L36 VanDerWaalsContact O-CB 3.29Å; F32-L36 WeakPolarHBondContact O-CB 3.3Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 3.03Å; H34-L36 PolarHBondContact O-N 3.29Å
37S98Very high98.1Very high56 Ų5647 Ų4739%0.39223%0.227SC..Hα-helixtrans-80.7-39.1178.8-66.10000113.1Y33 H34Y33-S37 VanDerWaalsContact O-CB 3.25Å; Y33-S37 WeakPolarHBondContact O-CB 3.35Å; Y33-S37 PolarHBondContact O-N 3.04Å; Y33-S37 PolarHBondContact O-OG 2.93Å; H34-S37 PolarHBondContact O-N 3.47Å
38W98.5Very high97.9Very high25 Ų2548 Ų4810%0.09524%0.237CC..  trans-135.362.4-178-53.6-78.2000112.3Y33 H34 Q40 L41 K59 M60 E62 F102Y33-W38 HydrophobicContact CD1-CZ3 4.35Å; Y33-W38 AromaticContact CE1-CH2 3.92Å; Y33-W38 HydrophobicContact CE1-CH2 3.92Å; Y33-W38 AromaticContact CE1-CZ3 3.63Å; Y33-W38 HydrophobicContact CE1-CZ3 3.63Å; Y33-W38 AromaticContact CZ-CH2 3.89Å; Y33-W38 AromaticContact CZ-CZ3 3.95Å; Y33-W38 VanDerWaalsContact OH-CH2 3.26Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.34Å; H34-W38 CarbonylContact O-C 3.53Å; H34-W38 PolarHBondContact O-N 3.08Å; W38-Q40 PolarHBondContact O-N 3.25Å; W38-L41 HydrophobicContact CB-CB 4.21Å; W38-L41 HydrophobicContact CB-CD1 3.7Å; W38-L41 HydrophobicContact CB-CG 3.84Å; W38-L41 HydrophobicContact CG-CD1 3.99Å; W38-L41 PolarHBondContact O-N 3.33Å; W38-K59 HydrophobicContact CD2-CB 3.96Å; W38-K59 HydrophobicContact CE3-CB 3.39Å; W38-K59 HydrophobicContact CH2-CB 3.85Å; W38-K59 HydrophobicContact CH2-CD 4.49Å; W38-K59 HydrophobicContact CZ2-CB 4.36Å; W38-K59 HydrophobicContact CZ3-CB 3.35Å; W38-K59 HydrophobicContact CZ3-CD 4.43Å; W38-K59 HydrophobicContact CZ3-CG 4.44Å; W38-M60 HydrophobicContact CZ2-CB 4.36Å; W38-M60 WeakPolarHBondContact CZ2-O 3.45Å; W38-E62 HydrophobicContact CH2-CG 3.89Å; W38-E62 HydrophobicContact CZ2-CG 3.8Å; W38-F102 HydrophobicContact CB-CZ 4.43Å; W38-F102 AromaticContact CD1-CE1 3.79Å; W38-F102 AromaticContact CD1-CZ 3.67Å; W38-F102 HydrophobicContact CG-CZ 4.46Å
39P98.2Very high97.8Very high53 Ų5352.5 Ų52.534%0.34426%0.262SS..THydrogen-bonded Turntrans-56.4-27-174.119.6-30.3000113.7N5 G35 L41N5-P39 PolarHBondContact ND2-O 3.45Å; N5-P39 PolarHBondContact OD1-O 2.92Å; G35-P39 WeakPolarHBondContact O-CB 3.33Å; P39-L41 PolarHBondContact O-N 2.88Å
40Q98.3Very high97.7Very high73 Ų7347.2 Ų47.234%0.34125%0.249SC..THydrogen-bonded Turntrans-76.1-18.5-178.4-55.782.4-1.700113.9N5 W38 Y43 A97N5-Q40 VanDerWaalsContact ND2-C 3.32Å; N5-Q40 WeakPolarHBondContact ND2-CA 3.27Å; N5-Q40 PolarHBondContact ND2-O 3.1Å; N5-Q40 VanDerWaalsContact ND2-O 3.13Å; W38-Q40 PolarHBondContact O-N 3.25Å; Q40-Y43 VanDerWaalsContact O-CE2 3.27Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.34Å; Q40-A97 WeakPolarHBondContact O-CB 3.28Å
41L98.8Very high97.6Very high0 Ų047.1 Ų47.10%025%0.251CS..THydrogen-bonded Turntrans-92-22.3-165.5-61.7-169.5000114.7W38 P39 A58 M60 A94 A97 M98 F102W38-L41 HydrophobicContact CB-CB 4.21Å; W38-L41 HydrophobicContact CB-CD1 3.7Å; W38-L41 HydrophobicContact CB-CG 3.84Å; W38-L41 HydrophobicContact CG-CD1 3.99Å; W38-L41 PolarHBondContact O-N 3.33Å; P39-L41 PolarHBondContact O-N 2.88Å; L41-A58 HydrophobicContact CB-CB 4.06Å; L41-M60 HydrophobicContact CD1-CG 3.93Å; L41-M60 HydrophobicContact CD1-SD 4.11Å; L41-A94 WeakPolarHBondContact O-CB 3.37Å; L41-A97 HydrophobicContact CD2-CB 3.74Å; L41-M98 HydrophobicContact CD1-CG 4.09Å; L41-M98 HydrophobicContact CD2-CB 4.3Å; L41-M98 HydrophobicContact CD2-CG 3.71Å; L41-M98 HydrophobicContact CG-CG 4.47Å; L41-F102 HydrophobicContact CD1-CD2 4.01Å; L41-F102 HydrophobicContact CD1-CE2 3.86Å; L41-F102 HydrophobicContact CD2-CD2 3.81Å; L41-F102 HydrophobicContact CD2-CE2 3.62Å; L41-F102 HydrophobicContact CG-CD2 4.15Å; L41-F102 HydrophobicContact CG-CE2 3.67Å
42S98.8Very high97.6Very high3 Ų347.4 Ų47.42%0.02125%0.253CS..  trans-93.8138.9-178.4-61.50000110.9N5 A6 V56 A58N5-S42 PolarHBondContact ND2-O 2.99Å; A6-S42 WeakPolarHBondContact CB-O 3.28Å; A6-S42 PolarHBondContact N-O 3.43Å; S42-V56 VanDerWaalsContact CA-O 3.28Å; S42-V56 WeakPolarHBondContact CA-O 3.45Å; S42-V56 WeakPolarHBondContact CB-O 3.24Å; S42-A58 PolarHBondContact OG-N 2.99Å
43Y98.9Very high97.6Very high38 Ų3843.1 Ų43.115%0.14923%0.234CC..EExtended strand (participates in β ladder)trans-133.3153.1-179-74.8-104.4000110.2R4 N5 Q40 Y55 V56 L93 A94 A97R4-Y43 WeakPolarHBondContact O-CA 3.36Å; R4-Y43 WeakPolarHBondContact O-CD1 3.22Å; N5-Y43 HydrophobicContact CB-CD1 4.24Å; N5-Y43 HydrophobicContact CB-CE1 3.89Å; Q40-Y43 VanDerWaalsContact O-CE2 3.27Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.34Å; Y43-Y55 CarbonylContact O-C 3.55Å; Y43-Y55 VanDerWaalsContact O-CA 3.28Å; Y43-Y55 WeakPolarHBondContact O-CA 3.34Å; Y43-V56 PolarHBondContact N-O 2.96Å; Y43-V56 VanDerWaalsContact N-O 3.1Å; Y43-V56 PolarHBondContact O-N 2.84Å; Y43-L93 HydrophobicContact CD1-CB 3.87Å; Y43-L93 HydrophobicContact CD1-CD1 3.76Å; Y43-L93 HydrophobicContact CD1-CG 4.42Å; Y43-L93 HydrophobicContact CD2-CB 4.12Å; Y43-L93 HydrophobicContact CE1-CB 3.8Å; Y43-L93 HydrophobicContact CE1-CD1 3.98Å; Y43-L93 HydrophobicContact CE1-CG 4.32Å; Y43-L93 HydrophobicContact CE2-CB 4.03Å; Y43-L93 HydrophobicContact CG-CB 4.06Å; Y43-L93 HydrophobicContact CG-CD1 4.5Å; Y43-A94 HydrophobicContact CD2-CB 4.41Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å
44V98.8Very high97.7Very high0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-126.1147.9178.1-63.70000109.9V3 R4 A6 D10 M14 I52 G54V3-V44 WeakPolarHBondContact CA-O 3.32Å; R4-V44 HydrophobicContact CG-CG2 3.96Å; R4-V44 PolarHBondContact N-O 2.73Å; R4-V44 PolarHBondContact O-N 3.35Å; A6-V44 HydrophobicContact CB-CG1 3.9Å; D10-V44 HydrophobicContact CB-CG1 4.38Å; M14-V44 HydrophobicContact CG-CG1 3.75Å; M14-V44 HydrophobicContact SD-CG1 3.78Å; V44-I52 HydrophobicContact CB-CD1 4.16Å; V44-I52 HydrophobicContact CB-CG2 4.35Å; V44-I52 HydrophobicContact CG1-CD1 3.86Å; V44-I52 HydrophobicContact CG1-CG2 4.42Å; V44-G54 WeakPolarHBondContact CA-O 3.36Å
45A98.7Very high97.7Very high0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-110.4121.716800000108M1 N2 V3 V53 G54 I86 L90M1-A45 HydrophobicContact SD-CB 4.43Å; N2-A45 CarbonylContact O-C 3.56Å; N2-A45 WeakPolarHBondContact O-CA 3.36Å; V3-A45 HydrophobicContact CG2-CB 4.15Å; A45-V53 WeakPolarHBondContact O-CG2 3.49Å; A45-V53 PolarHBondContact O-N 2.86Å; A45-G54 PolarHBondContact N-O 3.37Å; A45-G54 PolarHBondContact O-N 2.86Å; A45-I86 HydrophobicContact CB-CG2 3.46Å; A45-I86 VanDerWaalsContact CB-CG2 3.46Å; A45-L90 HydrophobicContact CB-CD1 4.42Å; A45-L90 HydrophobicContact CB-CD2 4.46Å
46E97.9Very high97.8Very high26 Ų2639 Ų3912%0.12122%0.215CC..EExtended strand (participates in β ladder)trans-122.7146.8-177.369.6-169.5175.700112M1 N2 R4 E51M1-E46 CarbonylContact C-O 3.54Å; M1-E46 VanDerWaalsContact CA-O 3.32Å; M1-E46 WeakPolarHBondContact CA-O 3.41Å; M1-E46 VanDerWaalsContact SD-C 3.59Å; N2-E46 HydrophobicContact CB-CG 3.91Å; N2-E46 PolarHBondContact N-O 2.92Å; N2-E46 PolarHBondContact ND2-OE1 2.69Å; N2-E46 PolarHBondContact O-N 3.32Å; R4-E46 WeakPolarHBondContact CD-OE1 3.46Å; R4-E46 IonicContact CZ-OE1 2.77Å; R4-E46 IonicContact CZ-OE2 3.32Å; R4-E46 VanDerWaalsContact CZ-OE2 3.26Å; R4-E46 IonicContact NE-OE1 3.61Å; R4-E46 PolarHBondContact NE-OE1 3.21Å; R4-E46 IonicContact NE-OE2 3.19Å; R4-E46 PolarHBondContact NE-OE2 3.44Å; R4-E46 IonicContact NH2-OE2 2.74Å; R4-E46 PolarHBondContact NH2-OE2 2.75Å; E46-E51 CarbonylContact C-O 3.5Å; E46-E51 WeakPolarHBondContact CA-O 3.24Å
47T97.2Very high97.8Very high14 Ų1432.8 Ų32.89%0.08618%0.182CC..  trans-72.2171.6169.353.60000110.8M1 N49 G50 E51 V53 Y81M1-T47 HydrophobicContact CE-CG2 4.3Å; T47-N49 WeakPolarHBondContact CB-OD1 3.49Å; T47-N49 PolarHBondContact O-N 3.17Å; T47-N49 PolarHBondContact OG1-OD1 3.46Å; T47-G50 PolarHBondContact O-N 2.88Å; T47-E51 PolarHBondContact N-O 3.03Å; T47-E51 VanDerWaalsContact OG1-CB 3.28Å; T47-E51 WeakPolarHBondContact OG1-CB 3.48Å; T47-E51 PolarHBondContact OG1-N 3.21Å; T47-E51 VanDerWaalsContact OG1-N 3.14Å; T47-E51 PolarHBondContact OG1-O 2.84Å; T47-V53 HydrophobicContact CG2-CG1 3.59Å; T47-V53 HydrophobicContact CG2-CG2 4.37Å; T47-Y81 HydrophobicContact CG2-CE1 3.76Å
48D94.6Very high97.9Very high151 Ų15130.1 Ų30.181%0.80716%0.163SC*.THydrogen-bonded Turntrans-68.9-18.8-175.5-52.6-21.7000112.5M1M1-D48 PolarHBondContact N-OD1 2.76Å
49N94.9Very high97.9Very high129 Ų12929.9 Ų29.969%0.6916%0.163SC*.THydrogen-bonded Turntrans-88.36.4169.959.9-37.3000114T47T47-N49 WeakPolarHBondContact CB-OD1 3.49Å; T47-N49 PolarHBondContact O-N 3.17Å; T47-N49 PolarHBondContact OG1-OD1 3.46Å
50G94.9Very high97.9Very high37 Ų3727.9 Ų27.938%0.38115%0.149SC..  trans82.511175.300000115.7T47T47-G50 PolarHBondContact O-N 2.88Å
51E96.6Very high97.9Very high76 Ų7627 Ų2736%0.35515%0.145SC..  trans-75.4126.7175.3-171.6-165.8165.100110.1E46 T47 V53 K78E46-E51 CarbonylContact C-O 3.5Å; E46-E51 WeakPolarHBondContact CA-O 3.24Å; T47-E51 PolarHBondContact N-O 3.03Å; T47-E51 VanDerWaalsContact OG1-CB 3.28Å; T47-E51 WeakPolarHBondContact OG1-CB 3.48Å; T47-E51 PolarHBondContact OG1-N 3.21Å; T47-E51 VanDerWaalsContact OG1-N 3.14Å; T47-E51 PolarHBondContact OG1-O 2.84Å; E51-V53 HydrophobicContact CG-CG1 4.42Å; E51-V53 PolarHBondContact O-N 2.97Å; E51-K78 IonicContact OE1-NZ 3.57Å; E51-K78 PolarHBondContact OE1-NZ 2.94Å
52I98.2Very high97.7Very high7 Ų731.8 Ų31.84%0.03617%0.167CC..EExtended strand (participates in β ladder)trans-73.1116.7172.5-58.7-171.1000109.6D10 N13 M14 V44 G54 K78D10-I52 HydrophobicContact CB-CD1 3.79Å; N13-I52 HydrophobicContact CB-CB 4.2Å; N13-I52 HydrophobicContact CB-CD1 3.44Å; N13-I52 VanDerWaalsContact CB-CD1 3.44Å; N13-I52 HydrophobicContact CB-CG1 3.87Å; M14-I52 HydrophobicContact CG-CD1 4.25Å; V44-I52 HydrophobicContact CB-CD1 4.16Å; V44-I52 HydrophobicContact CB-CG2 4.35Å; V44-I52 HydrophobicContact CG1-CD1 3.86Å; V44-I52 HydrophobicContact CG1-CG2 4.42Å; I52-G54 WeakPolarHBondContact CG2-O 3.47Å; I52-K78 WeakPolarHBondContact O-CE 3.32Å
53V98.2Very high97.4Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-111.3-7.1179.6-620000113M1 A45 T47 E51 V77 K78 Y81M1-V53 HydrophobicContact CE-CG2 3.54Å; M1-V53 HydrophobicContact SD-CG2 3.51Å; M1-V53 VanDerWaalsContact SD-CG2 3.51Å; A45-V53 WeakPolarHBondContact O-CG2 3.49Å; A45-V53 PolarHBondContact O-N 2.86Å; T47-V53 HydrophobicContact CG2-CG1 3.59Å; T47-V53 HydrophobicContact CG2-CG2 4.37Å; E51-V53 HydrophobicContact CG-CG1 4.42Å; E51-V53 PolarHBondContact O-N 2.97Å; V53-V77 CarbonylContact O-C 3.53Å; V53-V77 WeakPolarHBondContact O-CA 3.42Å; V53-K78 PolarHBondContact O-N 3.1Å; V53-Y81 HydrophobicContact CB-CD1 4.37Å; V53-Y81 HydrophobicContact CB-CD2 3.59Å; V53-Y81 HydrophobicContact CB-CE2 3.96Å; V53-Y81 HydrophobicContact CB-CG 3.81Å; V53-Y81 HydrophobicContact CG1-CD1 4.4Å; V53-Y81 HydrophobicContact CG1-CD2 3.61Å; V53-Y81 HydrophobicContact CG1-CE1 4.21Å; V53-Y81 HydrophobicContact CG1-CE2 3.39Å; V53-Y81 HydrophobicContact CG1-CG 4.11Å; V53-Y81 HydrophobicContact CG2-CD1 4.19Å; V53-Y81 HydrophobicContact CG2-CD2 4.27Å; V53-Y81 HydrophobicContact CG2-CG 3.97Å
54G98.6Very high97.1Very high0 Ų039 Ų390%021%0.211CC..EExtended strand (participates in β ladder)trans-164.7158.8168.600000111.6V44 A45 I52 A76V44-G54 WeakPolarHBondContact CA-O 3.36Å; A45-G54 PolarHBondContact N-O 3.37Å; A45-G54 PolarHBondContact O-N 2.86Å; I52-G54 WeakPolarHBondContact CG2-O 3.47Å; G54-A76 CarbonylContact C-O 3.56Å; G54-A76 WeakPolarHBondContact CA-O 2.91Å
55Y98.8Very high96.8Very high0 Ų046.8 Ų46.80%025%0.247CC..EExtended strand (participates in β ladder)trans-153.3159.217873.1-86.4000110.9M14 C17 N18 Y43 L57 S74 L75 A76M14-Y55 HydrophobicContact CB-CD1 4.43Å; M14-Y55 HydrophobicContact CB-CD2 4.41Å; M14-Y55 HydrophobicContact CB-CG 4.19Å; M14-Y55 HydrophobicContact CE-CD2 3.67Å; M14-Y55 HydrophobicContact CE-CG 4.15Å; M14-Y55 HydrophobicContact CG-CD2 4.5Å; M14-Y55 HydrophobicContact CG-CG 4.11Å; M14-Y55 WeakPolarHBondContact O-CE1 3.26Å; C17-Y55 HydrophobicContact CB-CD1 3.89Å; C17-Y55 HydrophobicContact CB-CE1 3.98Å; N18-Y55 HydrophobicContact CB-CE1 4.12Å; N18-Y55 WeakPolarHBondContact CB-OH 3.38Å; N18-Y55 PolarHBondContact ND2-OH 3.09Å; Y43-Y55 CarbonylContact O-C 3.55Å; Y43-Y55 VanDerWaalsContact O-CA 3.28Å; Y43-Y55 WeakPolarHBondContact O-CA 3.34Å; Y55-L57 HydrophobicContact CD2-CB 4.15Å; Y55-L57 HydrophobicContact CE2-CB 4Å; Y55-S74 PolarHBondContact OH-OG 3.01Å; Y55-L75 WeakPolarHBondContact O-CD1 3.45Å; Y55-A76 HydrophobicContact CD1-CB 4.27Å; Y55-A76 HydrophobicContact CE1-CB 3.6Å; Y55-A76 PolarHBondContact N-O 3.4Å; Y55-A76 PolarHBondContact O-N 3.19Å; Y55-A76 VanDerWaalsContact O-N 3.11Å
56V98.8Very high96.5Very high0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-122127.4161.862.10000108.2S42 Y43 A58 I72 S74 L75 L90 M91 A94S42-V56 VanDerWaalsContact CA-O 3.28Å; S42-V56 WeakPolarHBondContact CA-O 3.45Å; S42-V56 WeakPolarHBondContact CB-O 3.24Å; Y43-V56 PolarHBondContact N-O 2.96Å; Y43-V56 VanDerWaalsContact N-O 3.1Å; Y43-V56 PolarHBondContact O-N 2.84Å; V56-A58 HydrophobicContact CG2-CB 4.5Å; V56-I72 HydrophobicContact CG2-CD1 4.03Å; V56-I72 HydrophobicContact CG2-CG2 4.08Å; V56-S74 WeakPolarHBondContact CA-O 3.36Å; V56-L75 HydrophobicContact CB-CD1 3.83Å; V56-L75 HydrophobicContact CG2-CD1 4.15Å; V56-L90 HydrophobicContact CB-CB 4.15Å; V56-L90 HydrophobicContact CG1-CB 3.92Å; V56-L90 HydrophobicContact CG1-CD2 4.33Å; V56-M91 HydrophobicContact CG2-SD 4.24Å; V56-A94 HydrophobicContact CG1-CB 3.98Å; V56-A94 HydrophobicContact CG2-CB 4.33Å
57L98.8Very high96.4Very high0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-107.3116.3172.4-174.672.5000107M14 Y31 H34 Y55 T73 S74M14-L57 HydrophobicContact CE-CB 4.19Å; M14-L57 HydrophobicContact CE-CD1 3.78Å; Y31-L57 HydrophobicContact CD1-CD1 4.4Å; Y31-L57 HydrophobicContact CD1-CD2 4.09Å; Y31-L57 HydrophobicContact CE1-CD2 4.11Å; H34-L57 HydrophobicContact CB-CD1 3.61Å; H34-L57 HydrophobicContact CB-CG 4.25Å; Y55-L57 HydrophobicContact CD2-CB 4.15Å; Y55-L57 HydrophobicContact CE2-CB 4Å; L57-T73 HydrophobicContact CD2-CG2 4.04Å; L57-T73 WeakPolarHBondContact O-CB 3.42Å; L57-T73 PolarHBondContact O-N 2.77Å; L57-S74 PolarHBondContact N-O 3.05Å; L57-S74 PolarHBondContact O-N 3.24Å; L57-S74 VanDerWaalsContact O-N 3.14Å
58A98.8Very high96.4Very high0 Ų049.9 Ų49.90%027%0.267CS..EExtended strand (participates in β ladder)trans-135151.4-172.900000111.7L41 S42 V56 H71 I72 M98L41-A58 HydrophobicContact CB-CB 4.06Å; S42-A58 PolarHBondContact OG-N 2.99Å; V56-A58 HydrophobicContact CG2-CB 4.5Å; A58-H71 WeakPolarHBondContact CA-O 3.31Å; A58-I72 HydrophobicContact CB-CD1 3.96Å; A58-M98 HydrophobicContact CB-CE 3.62Å
59K98.7Very high96.6Very high20 Ų2044.6 Ų44.69%0.08724%0.236CC..EExtended strand (participates in β ladder)trans-132.4167.7176.563.8176-53.6-142.80110.8W38 E61 E62 G70 H71W38-K59 HydrophobicContact CD2-CB 3.96Å; W38-K59 HydrophobicContact CE3-CB 3.39Å; W38-K59 HydrophobicContact CH2-CB 3.85Å; W38-K59 HydrophobicContact CH2-CD 4.49Å; W38-K59 HydrophobicContact CZ2-CB 4.36Å; W38-K59 HydrophobicContact CZ3-CB 3.35Å; W38-K59 HydrophobicContact CZ3-CD 4.43Å; W38-K59 HydrophobicContact CZ3-CG 4.44Å; K59-E61 IonicContact NZ-OE1 2.9Å; K59-E62 WeakPolarHBondContact CE-OE1 3.42Å; K59-E62 IonicContact NZ-OE1 3.69Å; K59-E62 PolarHBondContact NZ-OE1 2.88Å; K59-G70 CarbonylContact O-C 3.56Å; K59-G70 WeakPolarHBondContact O-CA 3.46Å; K59-H71 HydrophobicContact CG-CB 3.92Å; K59-H71 PolarHBondContact N-O 2.98Å; K59-H71 PolarHBondContact O-N 2.82Å
60M98.7Very high96.8Very high11 Ų1138.4 Ų38.45%0.05420%0.203CC..EExtended strand (participates in β ladder)trans-86150.3155.5-65.7-58.4-64.900109.5W38 L41 E62 P68 Y69 M98 F102 A104W38-M60 HydrophobicContact CZ2-CB 4.36Å; W38-M60 WeakPolarHBondContact CZ2-O 3.45Å; L41-M60 HydrophobicContact CD1-CG 3.93Å; L41-M60 HydrophobicContact CD1-SD 4.11Å; M60-E62 PolarHBondContact O-N 2.85Å; M60-P68 HydrophobicContact CE-CB 4.14Å; M60-Y69 VanDerWaalsContact CE-C 3.43Å; M60-Y69 VanDerWaalsContact CE-O 3.24Å; M60-Y69 WeakPolarHBondContact CE-O 3.5Å; M60-M98 HydrophobicContact SD-CB 4.32Å; M60-M98 HydrophobicContact SD-CG 4.22Å; M60-F102 HydrophobicContact CE-CB 3.65Å; M60-F102 HydrophobicContact CG-CB 3.65Å; M60-F102 HydrophobicContact CG-CD1 4.02Å; M60-F102 HydrophobicContact CG-CD2 3.81Å; M60-F102 HydrophobicContact CG-CE2 4.5Å; M60-F102 HydrophobicContact CG-CG 3.53Å; M60-F102 HydrophobicContact SD-CB 3.56Å; M60-F102 VanDerWaalsContact SD-CB 3.56Å; M60-F102 HydrophobicContact SD-CD2 4.04Å; M60-F102 HydrophobicContact SD-CG 3.96Å; M60-A104 HydrophobicContact CE-CB 3.84Å; M60-A104 HydrophobicContact SD-CB 4.25Å
61E97.8Very high96.9Very high55 Ų5538.1 Ų38.126%0.25719%0.192SC..  trans-64.2133.8163.1-168.664.8-101.300109.7K59 P64 Y69K59-E61 IonicContact NZ-OE1 2.9Å; E61-P64 HydrophobicContact CB-CB 4.46Å; E61-P64 HydrophobicContact CG-CB 4.49Å; E61-Y69 HydrophobicContact CB-CD1 3.94Å; E61-Y69 HydrophobicContact CB-CD2 4.07Å; E61-Y69 HydrophobicContact CB-CE1 3.52Å; E61-Y69 HydrophobicContact CB-CE2 3.62Å; E61-Y69 HydrophobicContact CB-CG 4.22Å; E61-Y69 VanDerWaalsContact CD-OH 3.28Å; E61-Y69 HydrophobicContact CG-CE1 3.64Å; E61-Y69 HydrophobicContact CG-CE2 4.09Å; E61-Y69 WeakPolarHBondContact CG-OH 3.43Å; E61-Y69 PolarHBondContact N-O 2.81Å; E61-Y69 PolarHBondContact OE2-OH 2.76Å
62E94.5Very high97Very high100 Ų10035 Ų3547%0.46718%0.177SC..SBendtrans-79.4-39.9-176.6-73.7162.2-99.800111.6Y33 W38 K59 M60 P64Y33-E62 PolarHBondContact OH-OE1 3Å; Y33-E62 PolarHBondContact OH-OE2 3.14Å; W38-E62 HydrophobicContact CH2-CG 3.89Å; W38-E62 HydrophobicContact CZ2-CG 3.8Å; K59-E62 WeakPolarHBondContact CE-OE1 3.42Å; K59-E62 IonicContact NZ-OE1 3.69Å; K59-E62 PolarHBondContact NZ-OE1 2.88Å; M60-E62 PolarHBondContact O-N 2.85Å; E62-P64 VanDerWaalsContact O-CD 3.28Å; E62-P64 WeakPolarHBondContact O-CD 3.3Å
63D94.1Very high97.1Very high146 Ų14635.3 Ų35.378%0.78118%0.18SC*.SBendtrans-122.363.5-176.9-60.1-56.3000111.4E65D63-E65 PolarHBondContact O-N 3.15Å
64P92.2Very high97.1Very high46 Ų4635.7 Ų35.730%0.29918%0.183SC..  trans-68.4130.5-179.828.8-34.2000111.7E61 E62 D66 V67 Y69E61-P64 HydrophobicContact CB-CB 4.46Å; E61-P64 HydrophobicContact CG-CB 4.49Å; E62-P64 VanDerWaalsContact O-CD 3.28Å; E62-P64 WeakPolarHBondContact O-CD 3.3Å; P64-D66 VanDerWaalsContact C-N 3.26Å; P64-D66 PolarHBondContact O-N 3.49Å; P64-V67 VanDerWaalsContact CB-O 3.32Å; P64-V67 WeakPolarHBondContact CB-O 3.45Å; P64-Y69 HydrophobicContact CB-CD1 3.77Å; P64-Y69 HydrophobicContact CB-CE1 3.77Å
65E91.2Very high97.1Very high164 Ų16436.7 Ų36.777%0.76619%0.188SC*.SBendtrans-64.4-20.5179.4-66-179.6166.600114.8D63 K171D63-E65 PolarHBondContact O-N 3.15Å; E65-K171 IonicContact OE1-NZ 2.79Å; E65-K171 WeakPolarHBondContact OE2-CE 3.4Å; E65-K171 IonicContact OE2-NZ 3.46Å; E65-K171 PolarHBondContact OE2-NZ 3.01Å
66D92.7Very high97Very high44 Ų4437 Ų3724%0.23519%0.19CC..SBendtrans-143.5-56.6-171.6178.934.5000115.4P64 K166 S168 K169P64-D66 VanDerWaalsContact C-N 3.26Å; P64-D66 PolarHBondContact O-N 3.49Å; D66-K166 PolarHBondContact O-NZ 2.97Å; D66-K166 VanDerWaalsContact O-NZ 3.1Å; D66-K166 WeakPolarHBondContact OD1-CE 3.43Å; D66-K166 IonicContact OD1-NZ 3.07Å; D66-K166 PolarHBondContact OD1-NZ 2.87Å; D66-S168 WeakPolarHBondContact OD2-CA 3.32Å; D66-K169 WeakPolarHBondContact OD2-CG 3.29Å; D66-K169 PolarHBondContact OD2-N 2.83Å
67V96.4Very high97Very high5 Ų537.6 Ų37.63%0.0319%0.194CC..SBendtrans-134.5147.4-177.8-67.10000110.1P64 Y69 R105 Y106 K166P64-V67 VanDerWaalsContact CB-O 3.32Å; P64-V67 WeakPolarHBondContact CB-O 3.45Å; V67-Y69 WeakPolarHBondContact O-CD1 3.48Å; V67-Y69 PolarHBondContact O-N 2.86Å; V67-R105 HydrophobicContact CB-CB 4.2Å; V67-R105 HydrophobicContact CB-CG 3.76Å; V67-R105 HydrophobicContact CG1-CG 4.22Å; V67-R105 HydrophobicContact CG2-CB 3.86Å; V67-R105 HydrophobicContact CG2-CG 4Å; V67-Y106 HydrophobicContact CG2-CD1 4Å; V67-Y106 HydrophobicContact CG2-CE1 3.74Å; V67-K166 HydrophobicContact CG1-CB 4.29Å; V67-K166 HydrophobicContact CG1-CD 3.66Å; V67-K166 HydrophobicContact CG1-CG 3.86Å
68P97.4Very high96.9Very high57 Ų5739.6 Ų39.637%0.3720%0.203SC..  trans-56.2131.7172.5-22.532.6000110.7M60 A104 R105M60-P68 HydrophobicContact CE-CB 4.14Å; P68-A104 CarbonylContact O-C 3.59Å; P68-A104 WeakPolarHBondContact O-CA 3.17Å; P68-R105 PolarHBondContact O-N 2.93Å
69Y98.2Very high96.8Very high39 Ų3949.5 Ų49.515%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-144.7150.617973.9-93.2000111.3M60 E61 P64 V67 Y106 S108M60-Y69 VanDerWaalsContact CE-C 3.43Å; M60-Y69 VanDerWaalsContact CE-O 3.24Å; M60-Y69 WeakPolarHBondContact CE-O 3.5Å; E61-Y69 HydrophobicContact CB-CD1 3.94Å; E61-Y69 HydrophobicContact CB-CD2 4.07Å; E61-Y69 HydrophobicContact CB-CE1 3.52Å; E61-Y69 HydrophobicContact CB-CE2 3.62Å; E61-Y69 HydrophobicContact CB-CG 4.22Å; E61-Y69 VanDerWaalsContact CD-OH 3.28Å; E61-Y69 HydrophobicContact CG-CE1 3.64Å; E61-Y69 HydrophobicContact CG-CE2 4.09Å; E61-Y69 WeakPolarHBondContact CG-OH 3.43Å; E61-Y69 PolarHBondContact N-O 2.81Å; E61-Y69 PolarHBondContact OE2-OH 2.76Å; P64-Y69 HydrophobicContact CB-CD1 3.77Å; P64-Y69 HydrophobicContact CB-CE1 3.77Å; V67-Y69 WeakPolarHBondContact O-CD1 3.48Å; V67-Y69 PolarHBondContact O-N 2.86Å; Y69-Y106 WeakPolarHBondContact CA-O 3.41Å; Y69-Y106 VanDerWaalsContact CB-CE1 3.42Å; Y69-Y106 VanDerWaalsContact CB-CZ 3.42Å; Y69-Y106 WeakPolarHBondContact CB-O 3.43Å; Y69-Y106 AromaticContact CD1-CE1 3.9Å; Y69-Y106 HydrophobicContact CD1-CE1 3.9Å; Y69-Y106 HydrophobicContact CD1-CE2 4.15Å; Y69-Y106 AromaticContact CD1-CZ 3.46Å; Y69-Y106 VanDerWaalsContact CD1-CZ 3.46Å; Y69-Y106 WeakPolarHBondContact CD1-OH 3.38Å; Y69-Y106 HydrophobicContact CD2-CD2 4.22Å; Y69-Y106 AromaticContact CD2-CE2 3.49Å; Y69-Y106 HydrophobicContact CD2-CE2 3.49Å; Y69-Y106 VanDerWaalsContact CD2-CE2 3.49Å; Y69-Y106 AromaticContact CD2-CZ 3.71Å; Y69-Y106 VanDerWaalsContact CE1-OH 3.3Å; Y69-Y106 WeakPolarHBondContact CE1-OH 3.2Å; Y69-Y106 HydrophobicContact CE2-CE2 4.15Å; Y69-Y106 HydrophobicContact CG-CD1 4.41Å; Y69-Y106 HydrophobicContact CG-CD2 4.2Å; Y69-Y106 AromaticContact CG-CE1 3.75Å; Y69-Y106 HydrophobicContact CG-CE1 3.75Å; Y69-Y106 AromaticContact CG-CE2 3.51Å; Y69-Y106 HydrophobicContact CG-CE2 3.51Å; Y69-Y106 AromaticContact CG-CZ 3.25Å; Y69-S108 WeakPolarHBondContact CE2-OG 3.44Å
70G98.6Very high96.7Very high0 Ų053.8 Ų53.80%027%0.27CS..EExtended strand (participates in β ladder)trans-89.3157.5176.600000112.5K59 Y106 V107 S108K59-G70 CarbonylContact O-C 3.56Å; K59-G70 WeakPolarHBondContact O-CA 3.46Å; G70-Y106 PolarHBondContact N-O 3.07Å; G70-V107 CarbonylContact O-C 3.45Å; G70-V107 WeakPolarHBondContact O-CA 3.23Å; G70-S108 PolarHBondContact O-N 3.33Å; G70-S108 PolarHBondContact O-OG 3.34Å
71H98.7Very high96.6Very high31 Ų3156.4 Ų56.414%0.14428%0.28CS..EExtended strand (participates in β ladder)trans-129.8133.7173.7-169.680.8000110.7A58 K59 T73 S108 H110A58-H71 WeakPolarHBondContact CA-O 3.31Å; K59-H71 HydrophobicContact CG-CB 3.92Å; K59-H71 PolarHBondContact N-O 2.98Å; K59-H71 PolarHBondContact O-N 2.82Å; H71-T73 PolarHBondContact O-N 3.3Å; H71-S108 WeakPolarHBondContact CA-O 3.2Å; H71-S108 PolarHBondContact ND1-OG 3.25Å; H71-H110 AromaticContact CE1-ND1 3.71Å
72I98.7Very high96.5Very high9 Ų959.6 Ų59.65%0.04629%0.289CS..EExtended strand (participates in β ladder)trans-91.7101.5173-52.8-61.2000108.6V56 A58 L75 M91 M98 V107 S108 L109V56-I72 HydrophobicContact CG2-CD1 4.03Å; V56-I72 HydrophobicContact CG2-CG2 4.08Å; A58-I72 HydrophobicContact CB-CD1 3.96Å; I72-L75 HydrophobicContact CG2-CB 4.26Å; I72-M91 HydrophobicContact CD1-CE 4.33Å; I72-M91 HydrophobicContact CD1-SD 3.89Å; I72-M91 HydrophobicContact CG1-CE 3.87Å; I72-M91 HydrophobicContact CG1-SD 3.88Å; I72-M91 HydrophobicContact CG2-SD 4.08Å; I72-M98 HydrophobicContact CD1-CE 3.79Å; I72-V107 HydrophobicContact CD1-CG2 3.86Å; I72-V107 HydrophobicContact CG1-CG2 3.7Å; I72-S108 PolarHBondContact N-O 2.93Å; I72-L109 HydrophobicContact CB-CB 4Å
73T98.3Very high96.4Very high15 Ų1566.3 Ų66.39%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-69.9-41.7178.4-56.10000111.5Y26 Y30 H34 L57 H71Y26-T73 HydrophobicContact CE2-CG2 4.38Å; Y26-T73 PolarHBondContact OH-O 2.82Å; Y30-T73 HydrophobicContact CE1-CG2 3.58Å; H34-T73 PolarHBondContact NE2-OG1 3.08Å; L57-T73 HydrophobicContact CD2-CG2 4.04Å; L57-T73 WeakPolarHBondContact O-CB 3.42Å; L57-T73 PolarHBondContact O-N 2.77Å; H71-T73 PolarHBondContact O-N 3.3Å
74S98.3Very high96.5Very high8 Ų864.9 Ų64.96%0.05630%0.302CS..EExtended strand (participates in β ladder)trans-158.5142.7179.2-1720000112.2N18 L22 Y55 V56 L57N18-S74 PolarHBondContact ND2-OG 3.2Å; L22-S74 VanDerWaalsContact CD1-OG 3.31Å; L22-S74 WeakPolarHBondContact CD1-OG 3.43Å; Y55-S74 PolarHBondContact OH-OG 3.01Å; V56-S74 WeakPolarHBondContact CA-O 3.36Å; L57-S74 PolarHBondContact N-O 3.05Å; L57-S74 PolarHBondContact O-N 3.24Å; L57-S74 VanDerWaalsContact O-N 3.14Å
75L98.5Very high96.7Very high21 Ų2164.2 Ų64.211%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-140.3122.1175.9176.773.5000108.4Y55 V56 I72 A87 L90 M91 L121 Y122Y55-L75 WeakPolarHBondContact O-CD1 3.45Å; V56-L75 HydrophobicContact CB-CD1 3.83Å; V56-L75 HydrophobicContact CG2-CD1 4.15Å; I72-L75 HydrophobicContact CG2-CB 4.26Å; L75-A87 HydrophobicContact CD2-CB 4.27Å; L75-L90 HydrophobicContact CD1-CB 4.3Å; L75-L90 HydrophobicContact CD1-CD1 4.33Å; L75-M91 HydrophobicContact CD1-CG 4.13Å; L75-M91 HydrophobicContact CD1-SD 4.35Å; L75-M91 HydrophobicContact CD2-CG 3.73Å; L75-M91 HydrophobicContact CD2-SD 3.87Å; L75-L121 HydrophobicContact CD2-CD2 3.99Å; L75-Y122 HydrophobicContact CD2-CE1 3.9Å
76A98.1Very high97Very high6 Ų656.9 Ų56.95%0.0527%0.269CS..EExtended strand (participates in β ladder)trans-141.2149.5177.300000111.9C21 L22 G54 Y55C21-A76 HydrophobicContact CB-CB 3.68Å; L22-A76 HydrophobicContact CD1-CB 4.05Å; L22-A76 HydrophobicContact CG-CB 4.27Å; G54-A76 CarbonylContact C-O 3.56Å; G54-A76 WeakPolarHBondContact CA-O 2.91Å; Y55-A76 HydrophobicContact CD1-CB 4.27Å; Y55-A76 HydrophobicContact CE1-CB 3.6Å; Y55-A76 PolarHBondContact N-O 3.4Å; Y55-A76 PolarHBondContact O-N 3.19Å; Y55-A76 VanDerWaalsContact O-N 3.11Å
77V98.2Very high97.3Very high13 Ų1355.7 Ų55.78%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-138.1126.5169.6-178.70000107.4V53 R82 I86 A87V53-V77 CarbonylContact O-C 3.53Å; V53-V77 WeakPolarHBondContact O-CA 3.42Å; V77-R82 HydrophobicContact CB-CG 4.29Å; V77-R82 HydrophobicContact CG1-CG 4.16Å; V77-R82 PolarHBondContact O-NE 3.46Å; V77-R82 PolarHBondContact O-NH2 2.86Å; V77-I86 HydrophobicContact CG1-CB 4.44Å; V77-I86 HydrophobicContact CG1-CD1 4.29Å; V77-I86 HydrophobicContact CG1-CG2 4.4Å; V77-I86 HydrophobicContact CG2-CB 4.27Å; V77-I86 HydrophobicContact CG2-CG2 3.87Å; V77-A87 HydrophobicContact CG2-CB 4.03Å
78K97.6Very high97.3Very high41 Ų4159.1 Ų59.118%0.17828%0.282CS..  trans-54.4139.6176.5-70.9-167.6-178.8-173.20110D20 E51 I52 V53 P80 Y81 R82D20-K78 IonicContact OD2-NZ 2.72Å; E51-K78 IonicContact OE1-NZ 3.57Å; E51-K78 PolarHBondContact OE1-NZ 2.94Å; I52-K78 WeakPolarHBondContact O-CE 3.32Å; V53-K78 PolarHBondContact O-N 3.1Å; K78-P80 VanDerWaalsContact C-CD 3.42Å; K78-Y81 HydrophobicContact CB-CD2 4.13Å; K78-Y81 PolarHBondContact O-N 3.2Å; K78-R82 PolarHBondContact O-N 3.41Å
79R96.2Very high97.3Very high208 Ų20859.4 Ų59.479%0.78528%0.282SS*.G310 helixtrans-50.3-43.3-171.3-172.1178.3-178.1173.3-0.2114.5Y81 R82R79-Y81 PolarHBondContact O-N 3.3Å; R79-R82 PolarHBondContact O-N 2.94Å
80P96.3Very high97.4Very high110 Ų11057.5 Ų57.571%0.71428%0.275SS*.G310 helixtrans-64.4-21.2179.7-22.735.3000114.6K78K78-P80 VanDerWaalsContact C-CD 3.42Å
81Y96.9Very high97.4Very high66 Ų6657.5 Ų57.526%0.25928%0.275SS..G310 helixtrans-105.98-174.9-59.6-85.6000113.1M1 T47 V53 K78 R79 L84 I86M1-Y81 HydrophobicContact CE-CD1 3.3Å; M1-Y81 HydrophobicContact CE-CE1 3.77Å; M1-Y81 HydrophobicContact CE-CG 4.15Å; T47-Y81 HydrophobicContact CG2-CE1 3.76Å; V53-Y81 HydrophobicContact CB-CD1 4.37Å; V53-Y81 HydrophobicContact CB-CD2 3.59Å; V53-Y81 HydrophobicContact CB-CE2 3.96Å; V53-Y81 HydrophobicContact CB-CG 3.81Å; V53-Y81 HydrophobicContact CG1-CD1 4.4Å; V53-Y81 HydrophobicContact CG1-CD2 3.61Å; V53-Y81 HydrophobicContact CG1-CE1 4.21Å; V53-Y81 HydrophobicContact CG1-CE2 3.39Å; V53-Y81 HydrophobicContact CG1-CG 4.11Å; V53-Y81 HydrophobicContact CG2-CD1 4.19Å; V53-Y81 HydrophobicContact CG2-CD2 4.27Å; V53-Y81 HydrophobicContact CG2-CG 3.97Å; K78-Y81 HydrophobicContact CB-CD2 4.13Å; K78-Y81 PolarHBondContact O-N 3.2Å; R79-Y81 PolarHBondContact O-N 3.3Å; Y81-L84 HydrophobicContact CD1-CD1 4.49Å; Y81-I86 WeakPolarHBondContact O-CD1 3.23Å
82R95Very high97.3Very high123 Ų12358.5 Ų58.546%0.46428%0.281SS..THydrogen-bonded Turntrans-71.9162.1176-66.6-178.9-176.6174.60.5110.8V77 K78 R79 L84V77-R82 HydrophobicContact CB-CG 4.29Å; V77-R82 HydrophobicContact CG1-CG 4.16Å; V77-R82 PolarHBondContact O-NE 3.46Å; V77-R82 PolarHBondContact O-NH2 2.86Å; K78-R82 PolarHBondContact O-N 3.41Å; R79-R82 PolarHBondContact O-N 2.94Å; R82-L84 PolarHBondContact O-N 3.24Å
83R93.5Very high97.3Very high240 Ų24060.5 Ų60.591%0.90629%0.292SS*.THydrogen-bonded Turntrans6611.3179.6-47.3-67.7-103.6-167.4-6.1115
84L95.3Very high97.4Very high116 Ų11659.8 Ų59.861%0.60729%0.287SS*.SBendtrans-96.315.2173.6-59.3177000113.5Y81 R82 I86Y81-L84 HydrophobicContact CD1-CD1 4.49Å; R82-L84 PolarHBondContact O-N 3.24Å; L84-I86 HydrophobicContact CB-CD1 4.26Å; L84-I86 HydrophobicContact CB-CG1 4.12Å; L84-I86 HydrophobicContact CD1-CD1 4.43Å; L84-I86 PolarHBondContact O-N 3.34Å; L84-I86 VanDerWaalsContact O-N 3.16Å
85G96.2Very high97.4Very high32 Ų3259.4 Ų59.433%0.3329%0.285SS..SBendtrans74-3.4-177.100000115.8A87 Q88 T89G85-A87 PolarHBondContact O-N 3.32Å; G85-Q88 WeakPolarHBondContact O-CB 3.24Å; G85-Q88 PolarHBondContact O-N 2.86Å; G85-T89 PolarHBondContact O-N 3.33Å; G85-T89 PolarHBondContact O-OG1 3.05Å
86I97.9Very high97.4Very high10 Ų1062.7 Ų62.75%0.05130%0.296CS..Hα-helixtrans-51.5-51.4-175.1-63.9175.5000113M1 A45 V77 Y81 L84 Q88 T89 L90M1-I86 HydrophobicContact CE-CD1 3.84Å; M1-I86 HydrophobicContact CG-CD1 4.29Å; M1-I86 HydrophobicContact SD-CD1 4.18Å; A45-I86 HydrophobicContact CB-CG2 3.46Å; A45-I86 VanDerWaalsContact CB-CG2 3.46Å; V77-I86 HydrophobicContact CG1-CB 4.44Å; V77-I86 HydrophobicContact CG1-CD1 4.29Å; V77-I86 HydrophobicContact CG1-CG2 4.4Å; V77-I86 HydrophobicContact CG2-CB 4.27Å; V77-I86 HydrophobicContact CG2-CG2 3.87Å; Y81-I86 WeakPolarHBondContact O-CD1 3.23Å; L84-I86 HydrophobicContact CB-CD1 4.26Å; L84-I86 HydrophobicContact CB-CG1 4.12Å; L84-I86 HydrophobicContact CD1-CD1 4.43Å; L84-I86 PolarHBondContact O-N 3.34Å; L84-I86 VanDerWaalsContact O-N 3.16Å; I86-Q88 VanDerWaalsContact C-N 3.28Å; I86-Q88 PolarHBondContact O-N 3.07Å; I86-T89 PolarHBondContact O-N 2.86Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.25Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 2.98Å
87A98Very high97.4Very high20 Ų2062.5 Ų62.517%0.16529%0.294CS..Hα-helixtrans-61.6-36.8-178.100000112.5L75 V77 G85 M91 L121L75-A87 HydrophobicContact CD2-CB 4.27Å; V77-A87 HydrophobicContact CG2-CB 4.03Å; G85-A87 PolarHBondContact O-N 3.32Å; A87-M91 WeakPolarHBondContact O-CB 3.43Å; A87-M91 WeakPolarHBondContact O-CG 2.99Å; A87-M91 PolarHBondContact O-N 3.32Å; A87-M91 VanDerWaalsContact O-N 3.07Å; A87-L121 HydrophobicContact CB-CD1 4.49Å; A87-L121 HydrophobicContact CB-CD2 3.7Å
88Q97.6Very high97.4Very high77 Ų7761.9 Ų61.936%0.3629%0.29SS..Hα-helixtrans-66.7-45176179.7-177.311.600111G85 I86 M91 N92 L121 T125 L126G85-Q88 WeakPolarHBondContact O-CB 3.24Å; G85-Q88 PolarHBondContact O-N 2.86Å; I86-Q88 VanDerWaalsContact C-N 3.28Å; I86-Q88 PolarHBondContact O-N 3.07Å; Q88-M91 PolarHBondContact O-N 2.77Å; Q88-N92 WeakPolarHBondContact O-CB 3.47Å; Q88-N92 PolarHBondContact O-N 3.14Å; Q88-N92 PolarHBondContact O-ND2 2.77Å; Q88-L121 HydrophobicContact CB-CD1 4.43Å; Q88-T125 HydrophobicContact CB-CG2 4.28Å; Q88-T125 HydrophobicContact CG-CG2 3.88Å; Q88-L126 HydrophobicContact CB-CD2 4.43Å; Q88-L126 HydrophobicContact CG-CD2 3.85Å
89T98.1Very high97.5Very high62 Ų6259.9 Ų59.938%0.3828%0.282SS..Hα-helixtrans-60.7-48.9177.4-56.90000111.4V3 G85 I86 M91 N92 L93V3-T89 HydrophobicContact CB-CG2 4.38Å; V3-T89 HydrophobicContact CG1-CG2 4.22Å; V3-T89 HydrophobicContact CG2-CG2 4.2Å; G85-T89 PolarHBondContact O-N 3.33Å; G85-T89 PolarHBondContact O-OG1 3.05Å; I86-T89 PolarHBondContact O-N 2.86Å; T89-M91 PolarHBondContact O-N 2.74Å; T89-N92 PolarHBondContact O-N 3.41Å; T89-L93 HydrophobicContact CG2-CD1 4.11Å; T89-L93 WeakPolarHBondContact O-CG 3.34Å; T89-L93 PolarHBondContact O-N 2.9Å
90L98.7Very high97.5Very high0 Ų053.5 Ų53.50%026%0.261CS..Hα-helixtrans-56.3-49.2177.2-71.9169.9000111.6V3 A45 V56 L75 I86 N92 L93 A94V3-L90 HydrophobicContact CG1-CD2 3.73Å; V3-L90 HydrophobicContact CG1-CG 4.47Å; A45-L90 HydrophobicContact CB-CD1 4.42Å; A45-L90 HydrophobicContact CB-CD2 4.46Å; V56-L90 HydrophobicContact CB-CB 4.15Å; V56-L90 HydrophobicContact CG1-CB 3.92Å; V56-L90 HydrophobicContact CG1-CD2 4.33Å; L75-L90 HydrophobicContact CD1-CB 4.3Å; L75-L90 HydrophobicContact CD1-CD1 4.33Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.25Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 2.98Å; L90-N92 PolarHBondContact O-N 2.79Å; L90-L93 PolarHBondContact O-N 3.13Å; L90-A94 PolarHBondContact O-N 2.68Å
91M98.6Very high97.6Very high0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-62.7-40.7179.8-73.8-73.9-71.400112.6V56 I72 L75 A87 Q88 T89 S95 L109 Y122 L126 F128V56-M91 HydrophobicContact CG2-SD 4.24Å; I72-M91 HydrophobicContact CD1-CE 4.33Å; I72-M91 HydrophobicContact CD1-SD 3.89Å; I72-M91 HydrophobicContact CG1-CE 3.87Å; I72-M91 HydrophobicContact CG1-SD 3.88Å; I72-M91 HydrophobicContact CG2-SD 4.08Å; L75-M91 HydrophobicContact CD1-CG 4.13Å; L75-M91 HydrophobicContact CD1-SD 4.35Å; L75-M91 HydrophobicContact CD2-CG 3.73Å; L75-M91 HydrophobicContact CD2-SD 3.87Å; A87-M91 WeakPolarHBondContact O-CB 3.43Å; A87-M91 WeakPolarHBondContact O-CG 2.99Å; A87-M91 PolarHBondContact O-N 3.32Å; A87-M91 VanDerWaalsContact O-N 3.07Å; Q88-M91 PolarHBondContact O-N 2.77Å; T89-M91 PolarHBondContact O-N 2.74Å; M91-S95 VanDerWaalsContact O-CB 3.24Å; M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 2.7Å; M91-S95 PolarHBondContact O-OG 2.78Å; M91-L109 HydrophobicContact CE-CD2 4.06Å; M91-Y122 HydrophobicContact CE-CD1 4.33Å; M91-Y122 HydrophobicContact CE-CE1 4.02Å; M91-L126 HydrophobicContact CB-CD1 3.71Å; M91-L126 HydrophobicContact CB-CD2 4.24Å; M91-L126 HydrophobicContact CE-CD1 3.9Å; M91-L126 HydrophobicContact CG-CD1 3.73Å; M91-F128 HydrophobicContact CE-CE2 3.6Å; M91-F128 HydrophobicContact CE-CZ 3.51Å
92N98.2Very high97.6Very high52 Ų5251.3 Ų51.328%0.27825%0.245SC..Hα-helixtrans-68.2-38.4178.1-76.8-23.4000112.4Q88 T89 L90 R96 R149Q88-N92 WeakPolarHBondContact O-CB 3.47Å; Q88-N92 PolarHBondContact O-N 3.14Å; Q88-N92 PolarHBondContact O-ND2 2.77Å; T89-N92 PolarHBondContact O-N 3.41Å; L90-N92 PolarHBondContact O-N 2.79Å; N92-R96 WeakPolarHBondContact O-CB 3.37Å; N92-R96 PolarHBondContact O-N 3.45Å; N92-R149 PolarHBondContact OD1-NH1 2.94Å; N92-R149 PolarHBondContact OD1-NH2 3.07Å
93L98.5Very high97.7Very high50 Ų5048.9 Ų48.926%0.26224%0.239SC..Hα-helixtrans-66.2-46.9175.6-70.6172.4000111.5V3 Y43 T89 L90 S95 R96 A97V3-L93 HydrophobicContact CB-CD1 4.37Å; V3-L93 HydrophobicContact CG1-CD1 3.49Å; V3-L93 VanDerWaalsContact CG1-CD1 3.49Å; Y43-L93 HydrophobicContact CD1-CB 3.87Å; Y43-L93 HydrophobicContact CD1-CD1 3.76Å; Y43-L93 HydrophobicContact CD1-CG 4.42Å; Y43-L93 HydrophobicContact CD2-CB 4.12Å; Y43-L93 HydrophobicContact CE1-CB 3.8Å; Y43-L93 HydrophobicContact CE1-CD1 3.98Å; Y43-L93 HydrophobicContact CE1-CG 4.32Å; Y43-L93 HydrophobicContact CE2-CB 4.03Å; Y43-L93 HydrophobicContact CG-CB 4.06Å; Y43-L93 HydrophobicContact CG-CD1 4.5Å; T89-L93 HydrophobicContact CG2-CD1 4.11Å; T89-L93 WeakPolarHBondContact O-CG 3.34Å; T89-L93 PolarHBondContact O-N 2.9Å; L90-L93 PolarHBondContact O-N 3.13Å; L93-S95 PolarHBondContact O-N 3.06Å; L93-R96 PolarHBondContact O-N 3.06Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 3.2Å
94A98.8Very high98Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-59.5-4617500000111.5L41 Y43 V56 L90 R96 A97 M98L41-A94 WeakPolarHBondContact O-CB 3.37Å; Y43-A94 HydrophobicContact CD2-CB 4.41Å; V56-A94 HydrophobicContact CG1-CB 3.98Å; V56-A94 HydrophobicContact CG2-CB 4.33Å; L90-A94 PolarHBondContact O-N 2.68Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.74Å; A94-A97 PolarHBondContact O-N 3.17Å; A94-M98 VanDerWaalsContact O-CG 3.24Å; A94-M98 WeakPolarHBondContact O-CG 3.36Å; A94-M98 PolarHBondContact O-N 2.85Å
95S98.7Very high98.1Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-61.2-40.7178.4-59.90000112.4M91 L93 M98 V99M91-S95 VanDerWaalsContact O-CB 3.24Å; M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 2.7Å; M91-S95 PolarHBondContact O-OG 2.78Å; L93-S95 PolarHBondContact O-N 3.06Å; S95-M98 WeakPolarHBondContact O-CB 3.34Å; S95-M98 PolarHBondContact O-N 3.49Å; S95-V99 PolarHBondContact O-N 3.24Å
96R98.4Very high98.2Very high90 Ų9032.5 Ų32.534%0.3416%0.159SC..Hα-helixtrans-63.8-46.9174.4176.4-179.1171.7-173.8-2.2111N92 L93 A94 M98 V99 E100 Y158N92-R96 WeakPolarHBondContact O-CB 3.37Å; N92-R96 PolarHBondContact O-N 3.45Å; L93-R96 PolarHBondContact O-N 3.06Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.74Å; R96-M98 VanDerWaalsContact C-N 3.26Å; R96-M98 PolarHBondContact O-N 2.85Å; R96-V99 WeakPolarHBondContact O-CB 3.42Å; R96-V99 PolarHBondContact O-N 2.83Å; R96-V99 VanDerWaalsContact O-N 3.08Å; R96-E100 HydrophobicContact CG-CG 4.24Å; R96-E100 IonicContact CZ-OE1 3.06Å; R96-E100 VanDerWaalsContact NE-CD 3.31Å; R96-E100 IonicContact NE-OE1 3.85Å; R96-E100 PolarHBondContact NE-OE1 3.12Å; R96-E100 IonicContact NE-OE2 2.68Å; R96-E100 PolarHBondContact NE-OE2 2.94Å; R96-E100 IonicContact NH2-OE1 2.74Å; R96-E100 PolarHBondContact NH2-OE1 3.5Å; R96-E100 IonicContact NH2-OE2 3.74Å; R96-E100 PolarHBondContact O-N 3.15Å; R96-Y158 HydrophobicContact CG-CD1 4.49Å; R96-Y158 HydrophobicContact CG-CD2 3.89Å; R96-Y158 HydrophobicContact CG-CE2 4.23Å; R96-Y158 HydrophobicContact CG-CG 4.03Å
97A98.6Very high98.2Very high2 Ų232 Ų322%0.01716%0.157CC..Hα-helixtrans-61.2-35.7178.600000112.3Q40 L41 Y43 L93 A94 N101Q40-A97 WeakPolarHBondContact O-CB 3.28Å; L41-A97 HydrophobicContact CD2-CB 3.74Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 3.2Å; A94-A97 PolarHBondContact O-N 3.17Å; A97-N101 WeakPolarHBondContact O-CB 3.49Å; A97-N101 PolarHBondContact O-N 3.08Å; A97-N101 PolarHBondContact O-ND2 3.34Å
98M98.7Very high98.2Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-61-41.7173.1-69.7168.1176.700112.3L41 A58 M60 I72 A94 S95 R96 F102 H103 A104 V107L41-M98 HydrophobicContact CD1-CG 4.09Å; L41-M98 HydrophobicContact CD2-CB 4.3Å; L41-M98 HydrophobicContact CD2-CG 3.71Å; L41-M98 HydrophobicContact CG-CG 4.47Å; A58-M98 HydrophobicContact CB-CE 3.62Å; M60-M98 HydrophobicContact SD-CB 4.32Å; M60-M98 HydrophobicContact SD-CG 4.22Å; I72-M98 HydrophobicContact CD1-CE 3.79Å; A94-M98 VanDerWaalsContact O-CG 3.24Å; A94-M98 WeakPolarHBondContact O-CG 3.36Å; A94-M98 PolarHBondContact O-N 2.85Å; S95-M98 WeakPolarHBondContact O-CB 3.34Å; S95-M98 PolarHBondContact O-N 3.49Å; R96-M98 VanDerWaalsContact C-N 3.26Å; R96-M98 PolarHBondContact O-N 2.85Å; M98-F102 CarbonylContact O-C 3.59Å; M98-F102 PolarHBondContact O-N 3.36Å; M98-H103 PolarHBondContact O-N 2.84Å; M98-A104 HydrophobicContact CB-CB 3.61Å; M98-A104 WeakPolarHBondContact O-CB 3.38Å; M98-A104 PolarHBondContact O-N 2.7Å; M98-V107 HydrophobicContact CE-CG2 3.82Å; M98-V107 HydrophobicContact SD-CB 3.9Å; M98-V107 HydrophobicContact SD-CG2 3.66Å
99V98.5Very high98.3Very high0 Ų028.1 Ų28.10%014%0.137CC..Hα-helixtrans-66.5-54.5175.5170.70000110.6S95 R96 N101 H103 L151 L154 W155S95-V99 PolarHBondContact O-N 3.24Å; R96-V99 WeakPolarHBondContact O-CB 3.42Å; R96-V99 PolarHBondContact O-N 2.83Å; R96-V99 VanDerWaalsContact O-N 3.08Å; V99-N101 PolarHBondContact O-N 3.27Å; V99-H103 VanDerWaalsContact O-CA 3.32Å; V99-H103 WeakPolarHBondContact O-CA 3.46Å; V99-H103 PolarHBondContact O-N 2.97Å; V99-H103 VanDerWaalsContact O-N 3.09Å; V99-L151 HydrophobicContact CG2-CB 3.92Å; V99-L151 HydrophobicContact CG2-CD1 3.98Å; V99-L151 HydrophobicContact CG2-CG 4.45Å; V99-L154 HydrophobicContact CG2-CB 4.16Å; V99-W155 HydrophobicContact CG1-CB 4.46Å; V99-W155 HydrophobicContact CG1-CD2 4.47Å; V99-W155 HydrophobicContact CG1-CE3 3.91Å; V99-W155 HydrophobicContact CG1-CZ3 4.5Å
100E97.8Very high98.3Very high73 Ų7327.8 Ų27.834%0.34113%0.13SC..Hα-helixtrans-65.5-37.5-171.7-72.6176.3153.400113R96R96-E100 HydrophobicContact CG-CG 4.24Å; R96-E100 IonicContact CZ-OE1 3.06Å; R96-E100 VanDerWaalsContact NE-CD 3.31Å; R96-E100 IonicContact NE-OE1 3.85Å; R96-E100 PolarHBondContact NE-OE1 3.12Å; R96-E100 IonicContact NE-OE2 2.68Å; R96-E100 PolarHBondContact NE-OE2 2.94Å; R96-E100 IonicContact NH2-OE1 2.74Å; R96-E100 PolarHBondContact NH2-OE1 3.5Å; R96-E100 IonicContact NH2-OE2 3.74Å; R96-E100 PolarHBondContact O-N 3.15Å
101N97.7Very high98.2Very high75 Ų7528 Ų2840%0.40113%0.132SC..Hα-helixtrans-101.1-26.8-171.6-62.9-89.4000113.7A97 V99A97-N101 WeakPolarHBondContact O-CB 3.49Å; A97-N101 PolarHBondContact O-N 3.08Å; A97-N101 PolarHBondContact O-ND2 3.34Å; V99-N101 PolarHBondContact O-N 3.27Å
102F97.7Very high98.2Very high56 Ų5629.4 Ų29.425%0.24614%0.137CC..Hα-helixtrans-133.57.2-169.9-53.5-75.7000113.4W38 L41 M60 M98 A104W38-F102 HydrophobicContact CB-CZ 4.43Å; W38-F102 AromaticContact CD1-CE1 3.79Å; W38-F102 AromaticContact CD1-CZ 3.67Å; W38-F102 HydrophobicContact CG-CZ 4.46Å; L41-F102 HydrophobicContact CD1-CD2 4.01Å; L41-F102 HydrophobicContact CD1-CE2 3.86Å; L41-F102 HydrophobicContact CD2-CD2 3.81Å; L41-F102 HydrophobicContact CD2-CE2 3.62Å; L41-F102 HydrophobicContact CG-CD2 4.15Å; L41-F102 HydrophobicContact CG-CE2 3.67Å; M60-F102 HydrophobicContact CE-CB 3.65Å; M60-F102 HydrophobicContact CG-CB 3.65Å; M60-F102 HydrophobicContact CG-CD1 4.02Å; M60-F102 HydrophobicContact CG-CD2 3.81Å; M60-F102 HydrophobicContact CG-CE2 4.5Å; M60-F102 HydrophobicContact CG-CG 3.53Å; M60-F102 HydrophobicContact SD-CB 3.56Å; M60-F102 VanDerWaalsContact SD-CB 3.56Å; M60-F102 HydrophobicContact SD-CD2 4.04Å; M60-F102 HydrophobicContact SD-CG 3.96Å; M98-F102 CarbonylContact O-C 3.59Å; M98-F102 PolarHBondContact O-N 3.36Å; F102-A104 PolarHBondContact O-N 3.31Å
103H97.1Very high98.1Very high72 Ų7230 Ų3033%0.33314%0.137SC..  trans53.640.7179.2-53.8161.3000112.4M98 V99 R105 W155M98-H103 PolarHBondContact O-N 2.84Å; V99-H103 VanDerWaalsContact O-CA 3.32Å; V99-H103 WeakPolarHBondContact O-CA 3.46Å; V99-H103 PolarHBondContact O-N 2.97Å; V99-H103 VanDerWaalsContact O-N 3.09Å; H103-R105 PolarHBondContact O-N 3.3Å; H103-R105 PolarHBondContact O-NH1 3.31Å; H103-W155 HydrophobicContact CB-CH2 3.79Å; H103-W155 HydrophobicContact CB-CZ3 3.76Å
104A98.2Very high98.1Very high0 Ų031.3 Ų31.30%015%0.15CC..  trans-63.7134.1178.800000111.8M60 P68 M98 F102 L151M60-A104 HydrophobicContact CE-CB 3.84Å; M60-A104 HydrophobicContact SD-CB 4.25Å; P68-A104 CarbonylContact O-C 3.59Å; P68-A104 WeakPolarHBondContact O-CA 3.17Å; M98-A104 HydrophobicContact CB-CB 3.61Å; M98-A104 WeakPolarHBondContact O-CB 3.38Å; M98-A104 PolarHBondContact O-N 2.7Å; F102-A104 PolarHBondContact O-N 3.31Å; A104-L151 HydrophobicContact CB-CD1 3.81Å
105R97.8Very high97.9Very high20 Ų2034.2 Ų34.28%0.07517%0.166CC..SBendtrans-89.3-32.4176.3-59.3-58.6-169.9-96.919112.7V67 P68 H103 L151 P164 F165 K166V67-R105 HydrophobicContact CB-CB 4.2Å; V67-R105 HydrophobicContact CB-CG 3.76Å; V67-R105 HydrophobicContact CG1-CG 4.22Å; V67-R105 HydrophobicContact CG2-CB 3.86Å; V67-R105 HydrophobicContact CG2-CG 4Å; P68-R105 PolarHBondContact O-N 2.93Å; H103-R105 PolarHBondContact O-N 3.3Å; H103-R105 PolarHBondContact O-NH1 3.31Å; R105-L151 WeakPolarHBondContact O-CB 3.34Å; R105-L151 PolarHBondContact O-N 2.99Å; R105-P164 PolarHBondContact NH2-O 2.52Å; R105-F165 HydrophobicContact CB-CE2 4.09Å; R105-F165 HydrophobicContact CB-CZ 4.1Å; R105-F165 HydrophobicContact CG-CE2 4.48Å; R105-F165 WeakPolarHBondContact O-CZ 3.4Å; R105-K166 VanDerWaalsContact CD-O 3.3Å; R105-K166 WeakPolarHBondContact CD-O 3.12Å; R105-K166 VanDerWaalsContact CG-O 3.26Å; R105-K166 WeakPolarHBondContact CG-O 3.28Å
106Y98.2Very high97.8Very high23 Ų2344.2 Ų44.29%0.0920%0.204CC..EExtended strand (participates in β ladder)trans-143.8168.5173.968.6-88.2000110.2V67 Y69 G70 K148 R149V67-Y106 HydrophobicContact CG2-CD1 4Å; V67-Y106 HydrophobicContact CG2-CE1 3.74Å; Y69-Y106 WeakPolarHBondContact CA-O 3.41Å; Y69-Y106 VanDerWaalsContact CB-CE1 3.42Å; Y69-Y106 VanDerWaalsContact CB-CZ 3.42Å; Y69-Y106 WeakPolarHBondContact CB-O 3.43Å; Y69-Y106 AromaticContact CD1-CE1 3.9Å; Y69-Y106 HydrophobicContact CD1-CE1 3.9Å; Y69-Y106 HydrophobicContact CD1-CE2 4.15Å; Y69-Y106 AromaticContact CD1-CZ 3.46Å; Y69-Y106 VanDerWaalsContact CD1-CZ 3.46Å; Y69-Y106 WeakPolarHBondContact CD1-OH 3.38Å; Y69-Y106 HydrophobicContact CD2-CD2 4.22Å; Y69-Y106 AromaticContact CD2-CE2 3.49Å; Y69-Y106 HydrophobicContact CD2-CE2 3.49Å; Y69-Y106 VanDerWaalsContact CD2-CE2 3.49Å; Y69-Y106 AromaticContact CD2-CZ 3.71Å; Y69-Y106 VanDerWaalsContact CE1-OH 3.3Å; Y69-Y106 WeakPolarHBondContact CE1-OH 3.2Å; Y69-Y106 HydrophobicContact CE2-CE2 4.15Å; Y69-Y106 HydrophobicContact CG-CD1 4.41Å; Y69-Y106 HydrophobicContact CG-CD2 4.2Å; Y69-Y106 AromaticContact CG-CE1 3.75Å; Y69-Y106 HydrophobicContact CG-CE1 3.75Å; Y69-Y106 AromaticContact CG-CE2 3.51Å; Y69-Y106 HydrophobicContact CG-CE2 3.51Å; Y69-Y106 AromaticContact CG-CZ 3.25Å; G70-Y106 PolarHBondContact N-O 3.07Å; Y106-K148 HydrophobicContact CD2-CB 4.23Å; Y106-K148 HydrophobicContact CD2-CD 3.89Å; Y106-K148 HydrophobicContact CD2-CG 4.01Å; Y106-K148 HydrophobicContact CE2-CD 3.64Å; Y106-K148 HydrophobicContact CE2-CG 4.01Å; Y106-K148 PolarHBondContact OH-NZ 2.92Å; Y106-R149 CarbonylContact C-O 3.42Å; Y106-R149 VanDerWaalsContact CA-O 3.27Å; Y106-R149 WeakPolarHBondContact CA-O 3.27Å; Y106-R149 WeakPolarHBondContact CB-O 3.1Å
107V98.5Very high97.5Very high0 Ų043.3 Ų43.30%022%0.216CC..EExtended strand (participates in β ladder)trans-121.9139168.858.80000109.6G70 I72 M98 F128 K148 R149 L151G70-V107 CarbonylContact O-C 3.45Å; G70-V107 WeakPolarHBondContact O-CA 3.23Å; I72-V107 HydrophobicContact CD1-CG2 3.86Å; I72-V107 HydrophobicContact CG1-CG2 3.7Å; M98-V107 HydrophobicContact CE-CG2 3.82Å; M98-V107 HydrophobicContact SD-CB 3.9Å; M98-V107 HydrophobicContact SD-CG2 3.66Å; V107-F128 HydrophobicContact CG1-CE1 4.02Å; V107-F128 HydrophobicContact CG1-CZ 3.65Å; V107-K148 CarbonylContact O-C 3.48Å; V107-K148 WeakPolarHBondContact O-CA 3.29Å; V107-R149 HydrophobicContact CG1-CB 3.82Å; V107-R149 HydrophobicContact CG1-CG 4.37Å; V107-R149 PolarHBondContact N-O 2.87Å; V107-R149 PolarHBondContact O-N 3.18Å; V107-L151 HydrophobicContact CB-CD1 4.3Å; V107-L151 HydrophobicContact CG1-CD2 3.98Å; V107-L151 HydrophobicContact CG1-CG 4.41Å
108S98.3Very high97.4Very high13 Ų1344 Ų449%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-116.4157.7-178.665.40000112.4Y69 G70 H71 I72 M147Y69-S108 WeakPolarHBondContact CE2-OG 3.44Å; G70-S108 PolarHBondContact O-N 3.33Å; G70-S108 PolarHBondContact O-OG 3.34Å; H71-S108 WeakPolarHBondContact CA-O 3.2Å; H71-S108 PolarHBondContact ND1-OG 3.25Å; I72-S108 PolarHBondContact N-O 2.93Å; S108-M147 CarbonylContact C-O 3.56Å; S108-M147 VanDerWaalsContact CA-O 3.23Å; S108-M147 WeakPolarHBondContact CA-O 3.46Å
109L98.6Very high97.3Very high3 Ų345.1 Ų45.12%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-158164.4171.862.983.9000111.4I72 M91 V111 Y122 F128 M147I72-L109 HydrophobicContact CB-CB 4Å; M91-L109 HydrophobicContact CE-CD2 4.06Å; L109-V111 HydrophobicContact CD1-CB 4.05Å; L109-V111 HydrophobicContact CD1-CG1 4.16Å; L109-Y122 HydrophobicContact CD1-CD2 3.77Å; L109-Y122 HydrophobicContact CD1-CE2 3.7Å; L109-Y122 HydrophobicContact CD1-CG 4.33Å; L109-Y122 HydrophobicContact CD2-CD1 3.66Å; L109-Y122 HydrophobicContact CD2-CD2 4.1Å; L109-Y122 HydrophobicContact CD2-CE1 3.53Å; L109-Y122 HydrophobicContact CD2-CE2 3.95Å; L109-Y122 HydrophobicContact CD2-CG 3.98Å; L109-F128 HydrophobicContact CD2-CD1 3.92Å; L109-F128 HydrophobicContact CD2-CE1 3.48Å; L109-F128 VanDerWaalsContact CD2-CE1 3.48Å; L109-F128 HydrophobicContact CD2-CE2 4.29Å; L109-F128 HydrophobicContact CD2-CZ 3.69Å; L109-F128 HydrophobicContact CG-CD1 4.11Å; L109-F128 HydrophobicContact CG-CE1 3.86Å; L109-M147 HydrophobicContact CD1-CB 3.88Å; L109-M147 HydrophobicContact CD1-CG 4.22Å; L109-M147 HydrophobicContact CD1-SD 4.31Å; L109-M147 HydrophobicContact CG-CB 4.19Å; L109-M147 PolarHBondContact N-O 3.28Å; L109-M147 PolarHBondContact O-N 2.79Å
110H98.3Very high97.2Very high54 Ų5448.1 Ų48.125%0.2525%0.245CC..EExtended strand (participates in β ladder)trans-109141.1167.2-67105000110.8H71 Y137 A144 Y145H71-H110 AromaticContact CE1-ND1 3.71Å; H110-Y137 HydrophobicContact CB-CE1 4.02Å; H110-Y137 AromaticContact CE1-CE2 3.87Å; H110-Y137 AromaticContact CG-CE2 3.99Å; H110-Y137 AromaticContact CG-CZ 3.68Å; H110-Y137 AromaticContact ND1-CE2 3.9Å; H110-Y137 AromaticContact ND1-CZ 3.58Å; H110-Y137 PolarHBondContact ND1-OH 3.02Å; H110-Y137 AromaticContact NE2-CE2 3.98Å; H110-A144 HydrophobicContact CB-CB 4.16Å; H110-Y145 WeakPolarHBondContact CA-O 3.49Å
111V98.1Very high97.1Very high5 Ų546.2 Ų46.23%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-141133.2175.363.20000111.4L109 K113 N115 A118 L119 Y122 Y138 A144 Y145 M147L109-V111 HydrophobicContact CD1-CB 4.05Å; L109-V111 HydrophobicContact CD1-CG1 4.16Å; V111-K113 PolarHBondContact O-N 3.07Å; V111-N115 HydrophobicContact CG2-CB 4.16Å; V111-A118 HydrophobicContact CG2-CB 3.75Å; V111-L119 HydrophobicContact CG1-CD2 3.76Å; V111-L119 HydrophobicContact CG2-CG 4.49Å; V111-Y122 HydrophobicContact CB-CD2 4.2Å; V111-Y122 HydrophobicContact CB-CE2 4.05Å; V111-Y122 HydrophobicContact CG1-CD2 4.32Å; V111-Y122 HydrophobicContact CG2-CD2 4.18Å; V111-Y122 HydrophobicContact CG2-CE2 3.98Å; V111-Y138 VanDerWaalsContact C-OH 3.32Å; V111-Y138 WeakPolarHBondContact CA-OH 3.48Å; V111-Y138 PolarHBondContact N-OH 2.89Å; V111-A144 WeakPolarHBondContact O-CA 3.46Å; V111-Y145 PolarHBondContact N-O 2.93Å; V111-Y145 PolarHBondContact O-N 2.96Å; V111-M147 HydrophobicContact CG1-CG 4.08Å; V111-M147 HydrophobicContact CG1-SD 3.59Å; V111-M147 VanDerWaalsContact CG1-SD 3.59Å
112R98Very high97.1Very high30 Ų3043.7 Ų43.711%0.11322%0.222CC..EExtended strand (participates in β ladder)trans-49.6132.1170.7-74.5178.1174.2-861.8111.2E24 S114 N115 Y138 D140 E142E24-R112 IonicContact OE1-CZ 2.76Å; E24-R112 VanDerWaalsContact OE1-CZ 3.27Å; E24-R112 IonicContact OE1-NE 3.96Å; E24-R112 PolarHBondContact OE1-NE 2.91Å; E24-R112 IonicContact OE1-NH2 3.9Å; E24-R112 PolarHBondContact OE1-NH2 3.42Å; E24-R112 IonicContact OE2-NE 2.69Å; R112-S114 PolarHBondContact O-N 3.47Å; R112-N115 HydrophobicContact CB-CB 4.05Å; R112-N115 PolarHBondContact O-N 3.11Å; R112-Y138 HydrophobicContact CB-CE2 4Å; R112-Y138 HydrophobicContact CG-CD1 4.23Å; R112-Y138 HydrophobicContact CG-CD2 3.57Å; R112-Y138 HydrophobicContact CG-CE1 3.94Å; R112-Y138 HydrophobicContact CG-CE2 3.22Å; R112-Y138 HydrophobicContact CG-CG 4.07Å; R112-Y138 VanDerWaalsContact CG-CZ 3.44Å; R112-Y138 PolarHBondContact N-OH 3.46Å; R112-Y138 VanDerWaalsContact N-OH 3.08Å; R112-D140 IonicContact CZ-OD1 2.68Å; R112-D140 IonicContact CZ-OD2 3.51Å; R112-D140 VanDerWaalsContact NH1-CG 3.25Å; R112-D140 IonicContact NH1-OD1 3.69Å; R112-D140 PolarHBondContact NH1-OD1 3.28Å; R112-D140 IonicContact NH1-OD2 3.33Å; R112-D140 PolarHBondContact NH1-OD2 2.88Å; R112-D140 IonicContact NH2-OD1 3.73Å; R112-D140 PolarHBondContact NH2-OD1 2.93Å; R112-D140 VanDerWaalsContact NH2-OD1 3.07Å; R112-D140 IonicContact NH2-OD2 3.45Å; R112-E142 WeakPolarHBondContact CD-OE2 3.3Å; R112-E142 WeakPolarHBondContact CG-OE2 3.36Å; R112-E142 IonicContact CZ-OE2 2.75Å; R112-E142 IonicContact NH1-OE2 2.75Å; R112-E142 PolarHBondContact NH1-OE2 2.67Å
113K96.8Very high97.1Very high64 Ų6445.3 Ų45.328%0.27823%0.229SC..THydrogen-bonded Turntrans-57.4-32.5177.4-71.1-169176.3164.20112.4V111 L119 I133 E142 D143 Y145V111-K113 PolarHBondContact O-N 3.07Å; K113-L119 WeakPolarHBondContact O-CD1 3.43Å; K113-I133 VanDerWaalsContact CE-CG2 3.49Å; K113-E142 PolarHBondContact N-OE1 3.33Å; K113-E142 VanDerWaalsContact N-OE1 3.14Å; K113-D143 HydrophobicContact CD-CB 3.81Å; K113-D143 VanDerWaalsContact CE-CB 3.48Å; K113-D143 HydrophobicContact CG-CB 4.19Å; K113-D143 PolarHBondContact N-O 3.39Å; K113-D143 IonicContact NZ-OD2 3.27Å; K113-D143 PolarHBondContact NZ-OD2 3.14Å; K113-Y145 HydrophobicContact CB-CD2 4.43Å; K113-Y145 HydrophobicContact CB-CE2 3.99Å; K113-Y145 HydrophobicContact CD-CE2 4.35Å; K113-Y145 HydrophobicContact CG-CD2 3.88Å; K113-Y145 HydrophobicContact CG-CE1 4.37Å; K113-Y145 HydrophobicContact CG-CE2 3.59Å; K113-Y145 HydrophobicContact CG-CG 4.4Å
114S97Very high97Very high77 Ų7749.5 Ų49.554%0.53825%0.247SC..THydrogen-bonded Turntrans-76.2-17.1179.565.10000114.2R112 R116 E142R112-S114 PolarHBondContact O-N 3.47Å; S114-R116 VanDerWaalsContact C-N 3.34Å; S114-R116 PolarHBondContact O-N 3.43Å; S114-E142 WeakPolarHBondContact CB-OE1 3.48Å; S114-E142 PolarHBondContact N-OE1 2.95Å; S114-E142 VanDerWaalsContact OG-CD 3.31Å; S114-E142 PolarHBondContact OG-OE1 3.11Å; S114-E142 PolarHBondContact OG-OE2 3.38Å
115N95.9Very high96.8Very high62 Ų6252 Ų5233%0.33226%0.262SS..  trans-80.276.2-173.1-169.2-16.6000112.6V111 R112 A117 A118 L119V111-N115 HydrophobicContact CG2-CB 4.16Å; R112-N115 HydrophobicContact CB-CB 4.05Å; R112-N115 PolarHBondContact O-N 3.11Å; N115-A117 VanDerWaalsContact C-N 3.26Å; N115-A117 PolarHBondContact O-N 2.9Å; N115-A118 HydrophobicContact CB-CB 4.24Å; N115-A118 VanDerWaalsContact CG-CB 3.41Å; N115-A118 WeakPolarHBondContact ND2-CB 3.4Å; N115-A118 PolarHBondContact O-N 3.25Å; N115-A118 WeakPolarHBondContact OD1-CB 3.31Å; N115-A118 PolarHBondContact OD1-N 3.28Å; N115-L119 WeakPolarHBondContact O-CB 3.08Å; N115-L119 VanDerWaalsContact O-CG 3.3Å; N115-L119 WeakPolarHBondContact O-CG 3.37Å; N115-L119 PolarHBondContact O-N 2.98Å
116R95.1Very high96.8Very high209 Ų20951.1 Ų51.179%0.78926%0.259SS*.Hα-helixtrans-57.4-34.8-177.6-63.5-175.3179.7-163.9-0.4113.8S114 T120S114-R116 VanDerWaalsContact C-N 3.34Å; S114-R116 PolarHBondContact O-N 3.43Å; R116-T120 WeakPolarHBondContact O-CB 3.49Å; R116-T120 PolarHBondContact O-N 3.18Å; R116-T120 PolarHBondContact O-OG1 2.9Å
117A93.8Very high96.7Very high72 Ų7256.6 Ų56.660%0.59529%0.285SS*.Hα-helixtrans-68.3-48.9-179.600000111.2N115 T120 L121N115-A117 VanDerWaalsContact C-N 3.26Å; N115-A117 PolarHBondContact O-N 2.9Å; A117-T120 PolarHBondContact O-N 3.43Å; A117-L121 PolarHBondContact O-N 3.04Å; A117-L121 VanDerWaalsContact O-N 3.14Å
118A95.9Very high96.7Very high15 Ų1556.8 Ų56.812%0.12429%0.286CS..Hα-helixtrans-65.5-41.6176.300000111.6V111 N115 T120 L121 Y122V111-A118 HydrophobicContact CG2-CB 3.75Å; N115-A118 HydrophobicContact CB-CB 4.24Å; N115-A118 VanDerWaalsContact CG-CB 3.41Å; N115-A118 WeakPolarHBondContact ND2-CB 3.4Å; N115-A118 PolarHBondContact O-N 3.25Å; N115-A118 WeakPolarHBondContact OD1-CB 3.31Å; N115-A118 PolarHBondContact OD1-N 3.28Å; A118-T120 VanDerWaalsContact C-N 3.29Å; A118-T120 PolarHBondContact O-N 3.45Å; A118-L121 WeakPolarHBondContact O-CB 3.15Å; A118-L121 PolarHBondContact O-N 2.99Å; A118-L121 VanDerWaalsContact O-N 3.15Å; A118-Y122 HydrophobicContact CB-CD2 4.12Å; A118-Y122 HydrophobicContact CB-CE2 3.74Å; A118-Y122 WeakPolarHBondContact O-CB 3.37Å; A118-Y122 WeakPolarHBondContact O-CD2 3.49Å; A118-Y122 VanDerWaalsContact O-CG 3.3Å; A118-Y122 PolarHBondContact O-N 2.87Å
119L96.7Very high96.7Very high25 Ų2560.7 Ų60.713%0.13131%0.309CS..Hα-helixtrans-59.5-39.1175.7-73.7169.5000112.7V111 K113 N115 K123 Y145 M147V111-L119 HydrophobicContact CG1-CD2 3.76Å; V111-L119 HydrophobicContact CG2-CG 4.49Å; K113-L119 WeakPolarHBondContact O-CD1 3.43Å; N115-L119 WeakPolarHBondContact O-CB 3.08Å; N115-L119 VanDerWaalsContact O-CG 3.3Å; N115-L119 WeakPolarHBondContact O-CG 3.37Å; N115-L119 PolarHBondContact O-N 2.98Å; L119-K123 VanDerWaalsContact O-CB 3.27Å; L119-K123 WeakPolarHBondContact O-CB 3.31Å; L119-K123 WeakPolarHBondContact O-CG 3.47Å; L119-K123 PolarHBondContact O-N 3.46Å; L119-Y145 HydrophobicContact CD1-CE2 4.44Å; L119-Y145 HydrophobicContact CD2-CD2 3.84Å; L119-Y145 HydrophobicContact CD2-CE2 4.32Å; L119-M147 HydrophobicContact CD2-SD 4.27Å
120T96Very high96.6Very high62 Ų6263.3 Ų63.338%0.3833%0.325SS..Hα-helixtrans-63.3-47.6174.9-60.90000111R116 A117 A118 K124R116-T120 WeakPolarHBondContact O-CB 3.49Å; R116-T120 PolarHBondContact O-N 3.18Å; R116-T120 PolarHBondContact O-OG1 2.9Å; A117-T120 PolarHBondContact O-N 3.43Å; A118-T120 VanDerWaalsContact C-N 3.29Å; A118-T120 PolarHBondContact O-N 3.45Å; T120-K124 HydrophobicContact CG2-CD 4.2Å; T120-K124 VanDerWaalsContact O-CB 3.27Å; T120-K124 WeakPolarHBondContact O-CB 3.15Å; T120-K124 PolarHBondContact O-N 3.33Å
121L96Very high96.5Very high34 Ų3463.6 Ų63.618%0.17833%0.333CS..Iπ-helixtrans-58.9-54.3176.8173.368000111.2L75 A87 Q88 A117 A118 T125 L126L75-L121 HydrophobicContact CD2-CD2 3.99Å; A87-L121 HydrophobicContact CB-CD1 4.49Å; A87-L121 HydrophobicContact CB-CD2 3.7Å; Q88-L121 HydrophobicContact CB-CD1 4.43Å; A117-L121 PolarHBondContact O-N 3.04Å; A117-L121 VanDerWaalsContact O-N 3.14Å; A118-L121 WeakPolarHBondContact O-CB 3.15Å; A118-L121 PolarHBondContact O-N 2.99Å; A118-L121 VanDerWaalsContact O-N 3.15Å; L121-T125 HydrophobicContact CD1-CG2 4.3Å; L121-T125 VanDerWaalsContact O-CB 3.29Å; L121-T125 WeakPolarHBondContact O-CB 3.11Å; L121-T125 PolarHBondContact O-N 3Å; L121-T125 VanDerWaalsContact O-N 3.14Å; L121-L126 HydrophobicContact CD1-CD1 4.07Å; L121-L126 HydrophobicContact CD1-CG 4.28Å; L121-L126 HydrophobicContact CD2-CD1 4.46Å; L121-L126 HydrophobicContact CG-CD1 3.95Å; L121-L126 PolarHBondContact O-N 3.33Å
122Y97.5Very high96.4Very high21 Ų2167.9 Ų67.98%0.08236%0.356CS..Iπ-helixtrans-65.6-48.6-174.5-61.3-39.5000111.8L75 M91 L109 V111 A118 L126 H127 F128 M147L75-Y122 HydrophobicContact CD2-CE1 3.9Å; M91-Y122 HydrophobicContact CE-CD1 4.33Å; M91-Y122 HydrophobicContact CE-CE1 4.02Å; L109-Y122 HydrophobicContact CD1-CD2 3.77Å; L109-Y122 HydrophobicContact CD1-CE2 3.7Å; L109-Y122 HydrophobicContact CD1-CG 4.33Å; L109-Y122 HydrophobicContact CD2-CD1 3.66Å; L109-Y122 HydrophobicContact CD2-CD2 4.1Å; L109-Y122 HydrophobicContact CD2-CE1 3.53Å; L109-Y122 HydrophobicContact CD2-CE2 3.95Å; L109-Y122 HydrophobicContact CD2-CG 3.98Å; V111-Y122 HydrophobicContact CB-CD2 4.2Å; V111-Y122 HydrophobicContact CB-CE2 4.05Å; V111-Y122 HydrophobicContact CG1-CD2 4.32Å; V111-Y122 HydrophobicContact CG2-CD2 4.18Å; V111-Y122 HydrophobicContact CG2-CE2 3.98Å; A118-Y122 HydrophobicContact CB-CD2 4.12Å; A118-Y122 HydrophobicContact CB-CE2 3.74Å; A118-Y122 WeakPolarHBondContact O-CB 3.37Å; A118-Y122 WeakPolarHBondContact O-CD2 3.49Å; A118-Y122 VanDerWaalsContact O-CG 3.3Å; A118-Y122 PolarHBondContact O-N 2.87Å; Y122-L126 HydrophobicContact CD1-CD1 4.12Å; Y122-L126 CarbonylContact O-C 3.54Å; Y122-H127 PolarHBondContact O-N 2.98Å; Y122-H127 VanDerWaalsContact O-N 3.11Å; Y122-F128 HydrophobicContact CD1-CD2 4.44Å; Y122-F128 WeakPolarHBondContact O-CB 3.37Å; Y122-F128 PolarHBondContact O-N 2.68Å; Y122-M147 HydrophobicContact CD2-SD 4.35Å
123K96.9Very high96.4Very high90 Ų9069.9 Ų69.939%0.39137%0.368SS..Iπ-helixtrans-74.9-52.8-177.9-65.7-175.9175.9-174.20113L119 M147L119-K123 VanDerWaalsContact O-CB 3.27Å; L119-K123 WeakPolarHBondContact O-CB 3.31Å; L119-K123 WeakPolarHBondContact O-CG 3.47Å; L119-K123 PolarHBondContact O-N 3.46Å; K123-M147 HydrophobicContact CD-CE 4.29Å; K123-M147 HydrophobicContact CG-CE 3.44Å; K123-M147 VanDerWaalsContact CG-CE 3.44Å
124K94.7Very high96.4Very high160 Ų16070.2 Ų70.270%0.69637%0.37SS*.Iπ-helixtrans-83.8-36.9-169.1-59.4-165179.8-176.60113.3T120T120-K124 HydrophobicContact CG2-CD 4.2Å; T120-K124 VanDerWaalsContact O-CB 3.27Å; T120-K124 WeakPolarHBondContact O-CB 3.15Å; T120-K124 PolarHBondContact O-N 3.33Å
125T94.7Very high96.4Very high53 Ų5371 Ų7133%0.32537%0.374SS..Iπ-helixtrans-98.7-35.3-172.3-53.80000112.6Q88 L121Q88-T125 HydrophobicContact CB-CG2 4.28Å; Q88-T125 HydrophobicContact CG-CG2 3.88Å; L121-T125 HydrophobicContact CD1-CG2 4.3Å; L121-T125 VanDerWaalsContact O-CB 3.29Å; L121-T125 WeakPolarHBondContact O-CB 3.11Å; L121-T125 PolarHBondContact O-N 3Å; L121-T125 VanDerWaalsContact O-N 3.14Å
126L97.1Very high96.4Very high1 Ų175.9 Ų75.91%0.00539%0.392CS..SBendtrans-109.40.3-175.5-63.8175.3000113.6Q88 M91 L121 Y122 F128 R149Q88-L126 HydrophobicContact CB-CD2 4.43Å; Q88-L126 HydrophobicContact CG-CD2 3.85Å; M91-L126 HydrophobicContact CB-CD1 3.71Å; M91-L126 HydrophobicContact CB-CD2 4.24Å; M91-L126 HydrophobicContact CE-CD1 3.9Å; M91-L126 HydrophobicContact CG-CD1 3.73Å; L121-L126 HydrophobicContact CD1-CD1 4.07Å; L121-L126 HydrophobicContact CD1-CG 4.28Å; L121-L126 HydrophobicContact CD2-CD1 4.46Å; L121-L126 HydrophobicContact CG-CD1 3.95Å; L121-L126 PolarHBondContact O-N 3.33Å; Y122-L126 HydrophobicContact CD1-CD1 4.12Å; Y122-L126 CarbonylContact O-C 3.54Å; L126-F128 HydrophobicContact CB-CD2 3.68Å; L126-F128 HydrophobicContact CB-CE2 3.83Å; L126-F128 HydrophobicContact CD1-CE2 4.28Å; L126-F128 PolarHBondContact O-N 2.8Å; L126-R149 WeakPolarHBondContact O-CD 3.47Å; L126-R149 PolarHBondContact O-NE 3.04Å
127H97.3Very high96.5Very high138 Ų13871.2 Ų71.264%0.63938%0.375SS*.  trans55.834.2175.9-51.8-65.2000114.5Y122Y122-H127 PolarHBondContact O-N 2.98Å; Y122-H127 VanDerWaalsContact O-N 3.11Å
128F98.1Very high96.6Very high5 Ų568.9 Ų68.92%0.02235%0.351CS..PPolyproline II helixtrans-71138.7166.6-77.9-106000110.4M91 V107 L109 Y122 L126 M147 K148 R149M91-F128 HydrophobicContact CE-CE2 3.6Å; M91-F128 HydrophobicContact CE-CZ 3.51Å; V107-F128 HydrophobicContact CG1-CE1 4.02Å; V107-F128 HydrophobicContact CG1-CZ 3.65Å; L109-F128 HydrophobicContact CD2-CD1 3.92Å; L109-F128 HydrophobicContact CD2-CE1 3.48Å; L109-F128 VanDerWaalsContact CD2-CE1 3.48Å; L109-F128 HydrophobicContact CD2-CE2 4.29Å; L109-F128 HydrophobicContact CD2-CZ 3.69Å; L109-F128 HydrophobicContact CG-CD1 4.11Å; L109-F128 HydrophobicContact CG-CE1 3.86Å; Y122-F128 HydrophobicContact CD1-CD2 4.44Å; Y122-F128 WeakPolarHBondContact O-CB 3.37Å; Y122-F128 PolarHBondContact O-N 2.68Å; L126-F128 HydrophobicContact CB-CD2 3.68Å; L126-F128 HydrophobicContact CB-CE2 3.83Å; L126-F128 HydrophobicContact CD1-CE2 4.28Å; L126-F128 PolarHBondContact O-N 2.8Å; F128-M147 HydrophobicContact CB-CB 4.2Å; F128-M147 HydrophobicContact CB-CE 3.57Å; F128-M147 HydrophobicContact CB-SD 4.45Å; F128-M147 HydrophobicContact CD1-CB 3.95Å; F128-M147 WeakPolarHBondContact O-CE 3.24Å; F128-K148 CarbonylContact C-O 3.58Å; F128-K148 VanDerWaalsContact CA-O 3.31Å; F128-K148 WeakPolarHBondContact CA-O 3.39Å; F128-K148 VanDerWaalsContact CD1-C 3.48Å; F128-R149 HydrophobicContact CB-CB 4.5Å; F128-R149 HydrophobicContact CD1-CB 3.68Å; F128-R149 HydrophobicContact CD2-CB 3.65Å; F128-R149 HydrophobicContact CD2-CG 4.33Å; F128-R149 HydrophobicContact CE1-CB 3.64Å; F128-R149 HydrophobicContact CE2-CB 3.62Å; F128-R149 HydrophobicContact CE2-CG 4.23Å; F128-R149 HydrophobicContact CG-CB 3.68Å; F128-R149 HydrophobicContact CZ-CB 3.61Å
129V97.4Very high96.5Very high95 Ų9573.7 Ų73.758%0.57639%0.391SS*.EExtended strand (participates in β ladder)trans-103.9148.5170.7-60.70000109.8M147 K148V129-M147 CarbonylContact O-C 3.59Å; V129-M147 WeakPolarHBondContact O-CA 3.27Å; V129-K148 WeakPolarHBondContact CG2-O 3.07Å; V129-K148 PolarHBondContact N-O 2.89Å; V129-K148 PolarHBondContact O-N 3.29Å
130V97.4Very high96.5Very high57 Ų5777.7 Ų77.735%0.34541%0.413SS..EExtended strand (participates in β ladder)trans-75.9125171.3177.30000107.5D132 Y145 M147V130-D132 WeakPolarHBondContact CG1-O 3.38Å; V130-Y145 HydrophobicContact CB-CD1 4.5Å; V130-Y145 HydrophobicContact CG1-CD1 3.57Å; V130-Y145 HydrophobicContact CG1-CE1 4.28Å; V130-Y145 HydrophobicContact CG1-CG 4.27Å; V130-Y145 HydrophobicContact CG2-CD1 4.06Å; V130-Y145 HydrophobicContact CG2-CG 4.18Å; V130-M147 HydrophobicContact CG2-CE 4.1Å; V130-M147 HydrophobicContact CG2-CG 4.27Å
131S95.3Very high96.5Very high60 Ų6076.6 Ų76.642%0.4241%0.414SS..EExtended strand (participates in β ladder)trans-97.9-33.6175.6580000112.6A146S131-A146 PolarHBondContact N-O 3.46Å; S131-A146 PolarHBondContact OG-O 3.06Å
132D96.4Very high96.6Very high95 Ų9576.9 Ų76.951%0.50841%0.414SS..EExtended strand (participates in β ladder)trans-156.5171.1-179.8-147.3-17.3000111.7V130 A146V130-D132 WeakPolarHBondContact CG1-O 3.38Å; D132-A146 HydrophobicContact CB-CB 4.09Å; D132-A146 PolarHBondContact N-O 3.33Å; D132-A146 PolarHBondContact O-N 3.28Å
133I97.6Very high96.6Very high72 Ų7278 Ų7837%0.36942%0.422SS..EExtended strand (participates in β ladder)trans-117.6118.4169.3-67.8173.7000108K113 P135 D143 A144 Y145K113-I133 VanDerWaalsContact CE-CG2 3.49Å; I133-P135 VanDerWaalsContact O-CD 3.28Å; I133-P135 WeakPolarHBondContact O-CD 3.28Å; I133-D143 HydrophobicContact CG2-CB 4.28Å; I133-A144 WeakPolarHBondContact CA-O 3.35Å; I133-Y145 HydrophobicContact CD1-CD1 4.42Å; I133-Y145 HydrophobicContact CD1-CE1 3.89Å; I133-Y145 HydrophobicContact CG1-CD1 3.74Å; I133-Y145 HydrophobicContact CG1-CE1 3.73Å
134E96.9Very high96.7Very high71 Ų7173.8 Ų73.833%0.33240%0.403SS..EExtended strand (participates in β ladder)trans-92.5106.7176.3-62.1-65165.900109.4Y137 D143 A144 A146E134-Y137 HydrophobicContact CB-CD2 3.79Å; E134-Y137 HydrophobicContact CB-CG 4.17Å; E134-Y137 HydrophobicContact CG-CD2 4.16Å; E134-D143 VanDerWaalsContact O-CA 3.29Å; E134-D143 WeakPolarHBondContact O-CA 3.45Å; E134-A144 HydrophobicContact CB-CB 4.28Å; E134-A144 PolarHBondContact N-O 3.19Å; E134-A144 PolarHBondContact O-N 3.08Å; E134-A146 HydrophobicContact CG-CB 4.4Å
135P97.3Very high96.9Very high94 Ų9468.8 Ų68.861%0.6138%0.38SS*.THydrogen-bonded Turntrans-69.7135.1-176.228.5-34.1000111.3I133 Y137 D143I133-P135 VanDerWaalsContact O-CD 3.28Å; I133-P135 WeakPolarHBondContact O-CD 3.28Å; P135-Y137 PolarHBondContact O-N 2.91Å; P135-D143 VanDerWaalsContact CA-OD1 3.3Å; P135-D143 WeakPolarHBondContact CA-OD1 3.45Å
136K96.5Very high97Very high164 Ų16466.7 Ų66.771%0.71337%0.368SS*.THydrogen-bonded Turntrans51.436.2179-57.4176.5-179.61780113.8Y138 D143K136-Y138 VanDerWaalsContact C-N 3.35Å; K136-Y138 PolarHBondContact O-N 2.72Å; K136-D143 PolarHBondContact N-OD1 3.01Å
137Y97.1Very high97.1Very high111 Ų11166.7 Ų66.744%0.43537%0.368SS..  trans-63.6-39.8-178.2-178.3-89.4000112.5H110 E134 P135 E142 A144H110-Y137 HydrophobicContact CB-CE1 4.02Å; H110-Y137 AromaticContact CE1-CE2 3.87Å; H110-Y137 AromaticContact CG-CE2 3.99Å; H110-Y137 AromaticContact CG-CZ 3.68Å; H110-Y137 AromaticContact ND1-CE2 3.9Å; H110-Y137 AromaticContact ND1-CZ 3.58Å; H110-Y137 PolarHBondContact ND1-OH 3.02Å; H110-Y137 AromaticContact NE2-CE2 3.98Å; E134-Y137 HydrophobicContact CB-CD2 3.79Å; E134-Y137 HydrophobicContact CB-CG 4.17Å; E134-Y137 HydrophobicContact CG-CD2 4.16Å; P135-Y137 PolarHBondContact O-N 2.91Å; Y137-E142 PolarHBondContact N-O 2.94Å; Y137-A144 HydrophobicContact CD1-CB 3.72Å; Y137-A144 HydrophobicContact CD2-CB 4.39Å; Y137-A144 HydrophobicContact CG-CB 3.65Å
138Y96.6Very high97.1Very high24 Ų2463.4 Ų63.49%0.09435%0.352CS..SBendtrans-87.9153.9-179.7-63.6-78.5000111.8E24 V111 R112 K136 D140 G141 E142 A144E24-Y138 HydrophobicContact CG-CD1 4.09Å; E24-Y138 HydrophobicContact CG-CE1 4.09Å; E24-Y138 WeakPolarHBondContact OE1-CD1 3.36Å; V111-Y138 VanDerWaalsContact C-OH 3.32Å; V111-Y138 WeakPolarHBondContact CA-OH 3.48Å; V111-Y138 PolarHBondContact N-OH 2.89Å; R112-Y138 HydrophobicContact CB-CE2 4Å; R112-Y138 HydrophobicContact CG-CD1 4.23Å; R112-Y138 HydrophobicContact CG-CD2 3.57Å; R112-Y138 HydrophobicContact CG-CE1 3.94Å; R112-Y138 HydrophobicContact CG-CE2 3.22Å; R112-Y138 HydrophobicContact CG-CG 4.07Å; R112-Y138 VanDerWaalsContact CG-CZ 3.44Å; R112-Y138 PolarHBondContact N-OH 3.46Å; R112-Y138 VanDerWaalsContact N-OH 3.08Å; K136-Y138 VanDerWaalsContact C-N 3.35Å; K136-Y138 PolarHBondContact O-N 2.72Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.43Å; Y138-D140 PolarHBondContact O-N 3.22Å; Y138-D140 VanDerWaalsContact O-N 3.17Å; Y138-G141 WeakPolarHBondContact O-CA 3.35Å; Y138-G141 PolarHBondContact O-N 3.06Å; Y138-E142 HydrophobicContact CD2-CB 4.27Å; Y138-E142 WeakPolarHBondContact CD2-O 3.33Å; Y138-E142 PolarHBondContact N-O 3.15Å; Y138-A144 HydrophobicContact CD2-CB 4.28Å; Y138-A144 HydrophobicContact CE2-CB 3.53Å
139A94.1Very high97.1Very high116 Ų11664.9 Ų64.996%0.95936%0.358SS*.THydrogen-bonded Turntrans-62.1-25.6-173.900000114.3G141A139-G141 PolarHBondContact O-N 2.82Å
140D95.7Very high97.1Very high109 Ų10964.4 Ų64.458%0.58335%0.352SS*.THydrogen-bonded Turntrans-81.93.6173.560.2-24.5000113.3R112 Y138R112-D140 IonicContact CZ-OD1 2.68Å; R112-D140 IonicContact CZ-OD2 3.51Å; R112-D140 VanDerWaalsContact NH1-CG 3.25Å; R112-D140 IonicContact NH1-OD1 3.69Å; R112-D140 PolarHBondContact NH1-OD1 3.28Å; R112-D140 IonicContact NH1-OD2 3.33Å; R112-D140 PolarHBondContact NH1-OD2 2.88Å; R112-D140 IonicContact NH2-OD1 3.73Å; R112-D140 PolarHBondContact NH2-OD1 2.93Å; R112-D140 VanDerWaalsContact NH2-OD1 3.07Å; R112-D140 IonicContact NH2-OD2 3.45Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.43Å; Y138-D140 PolarHBondContact O-N 3.22Å; Y138-D140 VanDerWaalsContact O-N 3.17Å
141G96.6Very high97.1Very high39 Ų3961.8 Ų61.840%0.40234%0.336SS..SBendtrans84.65178.400000114.3Y138 A139Y138-G141 WeakPolarHBondContact O-CA 3.35Å; Y138-G141 PolarHBondContact O-N 3.06Å; A139-G141 PolarHBondContact O-N 2.82Å
142E97.7Very high97.2Very high39 Ų3962.2 Ų62.218%0.18233%0.33CS..  trans-69.9138.8174.6-162.6-175169.400110.8R112 K113 S114 Y137 Y138R112-E142 WeakPolarHBondContact CD-OE2 3.3Å; R112-E142 WeakPolarHBondContact CG-OE2 3.36Å; R112-E142 IonicContact CZ-OE2 2.75Å; R112-E142 IonicContact NH1-OE2 2.75Å; R112-E142 PolarHBondContact NH1-OE2 2.67Å; K113-E142 PolarHBondContact N-OE1 3.33Å; K113-E142 VanDerWaalsContact N-OE1 3.14Å; S114-E142 WeakPolarHBondContact CB-OE1 3.48Å; S114-E142 PolarHBondContact N-OE1 2.95Å; S114-E142 VanDerWaalsContact OG-CD 3.31Å; S114-E142 PolarHBondContact OG-OE1 3.11Å; S114-E142 PolarHBondContact OG-OE2 3.38Å; Y137-E142 PolarHBondContact N-O 2.94Å; Y138-E142 HydrophobicContact CD2-CB 4.27Å; Y138-E142 WeakPolarHBondContact CD2-O 3.33Å; Y138-E142 PolarHBondContact N-O 3.15Å
143D98Very high97.2Very high46 Ų4663.4 Ų63.425%0.24634%0.341CS..  trans-70.9151.9171.5-57.7-17.3000111.6K113 I133 E134 P135 K136K113-D143 HydrophobicContact CD-CB 3.81Å; K113-D143 VanDerWaalsContact CE-CB 3.48Å; K113-D143 HydrophobicContact CG-CB 4.19Å; K113-D143 PolarHBondContact N-O 3.39Å; K113-D143 IonicContact NZ-OD2 3.27Å; K113-D143 PolarHBondContact NZ-OD2 3.14Å; I133-D143 HydrophobicContact CG2-CB 4.28Å; E134-D143 VanDerWaalsContact O-CA 3.29Å; E134-D143 WeakPolarHBondContact O-CA 3.45Å; P135-D143 VanDerWaalsContact CA-OD1 3.3Å; P135-D143 WeakPolarHBondContact CA-OD1 3.45Å; K136-D143 PolarHBondContact N-OD1 3.01Å
144A98.2Very high97.2Very high0 Ų061.1 Ų61.10%033%0.329CS..EExtended strand (participates in β ladder)trans-105146.4168.300000111.3H110 V111 I133 E134 Y137 Y138H110-A144 HydrophobicContact CB-CB 4.16Å; V111-A144 WeakPolarHBondContact O-CA 3.46Å; I133-A144 WeakPolarHBondContact CA-O 3.35Å; E134-A144 HydrophobicContact CB-CB 4.28Å; E134-A144 PolarHBondContact N-O 3.19Å; E134-A144 PolarHBondContact O-N 3.08Å; Y137-A144 HydrophobicContact CD1-CB 3.72Å; Y137-A144 HydrophobicContact CD2-CB 4.39Å; Y137-A144 HydrophobicContact CG-CB 3.65Å; Y138-A144 HydrophobicContact CD2-CB 4.28Å; Y138-A144 HydrophobicContact CE2-CB 3.53Å
145Y98.3Very high97.2Very high56 Ų5658.5 Ų58.522%0.2232%0.316CS..EExtended strand (participates in β ladder)trans-82.5123.3154.5-70.2-60.8000108.4H110 V111 K113 L119 V130 I133H110-Y145 WeakPolarHBondContact CA-O 3.49Å; V111-Y145 PolarHBondContact N-O 2.93Å; V111-Y145 PolarHBondContact O-N 2.96Å; K113-Y145 HydrophobicContact CB-CD2 4.43Å; K113-Y145 HydrophobicContact CB-CE2 3.99Å; K113-Y145 HydrophobicContact CD-CE2 4.35Å; K113-Y145 HydrophobicContact CG-CD2 3.88Å; K113-Y145 HydrophobicContact CG-CE1 4.37Å; K113-Y145 HydrophobicContact CG-CE2 3.59Å; K113-Y145 HydrophobicContact CG-CG 4.4Å; L119-Y145 HydrophobicContact CD1-CE2 4.44Å; L119-Y145 HydrophobicContact CD2-CD2 3.84Å; L119-Y145 HydrophobicContact CD2-CE2 4.32Å; V130-Y145 HydrophobicContact CB-CD1 4.5Å; V130-Y145 HydrophobicContact CG1-CD1 3.57Å; V130-Y145 HydrophobicContact CG1-CE1 4.28Å; V130-Y145 HydrophobicContact CG1-CG 4.27Å; V130-Y145 HydrophobicContact CG2-CD1 4.06Å; V130-Y145 HydrophobicContact CG2-CG 4.18Å; I133-Y145 HydrophobicContact CD1-CD1 4.42Å; I133-Y145 HydrophobicContact CD1-CE1 3.89Å; I133-Y145 HydrophobicContact CG1-CD1 3.74Å; I133-Y145 HydrophobicContact CG1-CE1 3.73Å
146A97.9Very high97.2Very high9 Ų959.3 Ų59.37%0.07432%0.316CS..EExtended strand (participates in β ladder)trans-77.4123.3160.400000107.6S131 D132 E134S131-A146 PolarHBondContact N-O 3.46Å; S131-A146 PolarHBondContact OG-O 3.06Å; D132-A146 HydrophobicContact CB-CB 4.09Å; D132-A146 PolarHBondContact N-O 3.33Å; D132-A146 PolarHBondContact O-N 3.28Å; E134-A146 HydrophobicContact CG-CB 4.4Å
147M98.2Very high97.2Very high1 Ų158.6 Ų58.61%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-122.4144.4-177.1-61.9-166.276.400111.3S108 L109 V111 L119 Y122 K123 F128 V129 V130S108-M147 CarbonylContact C-O 3.56Å; S108-M147 VanDerWaalsContact CA-O 3.23Å; S108-M147 WeakPolarHBondContact CA-O 3.46Å; L109-M147 HydrophobicContact CD1-CB 3.88Å; L109-M147 HydrophobicContact CD1-CG 4.22Å; L109-M147 HydrophobicContact CD1-SD 4.31Å; L109-M147 HydrophobicContact CG-CB 4.19Å; L109-M147 PolarHBondContact N-O 3.28Å; L109-M147 PolarHBondContact O-N 2.79Å; V111-M147 HydrophobicContact CG1-CG 4.08Å; V111-M147 HydrophobicContact CG1-SD 3.59Å; V111-M147 VanDerWaalsContact CG1-SD 3.59Å; L119-M147 HydrophobicContact CD2-SD 4.27Å; Y122-M147 HydrophobicContact CD2-SD 4.35Å; K123-M147 HydrophobicContact CD-CE 4.29Å; K123-M147 HydrophobicContact CG-CE 3.44Å; K123-M147 VanDerWaalsContact CG-CE 3.44Å; F128-M147 HydrophobicContact CB-CB 4.2Å; F128-M147 HydrophobicContact CB-CE 3.57Å; F128-M147 HydrophobicContact CB-SD 4.45Å; F128-M147 HydrophobicContact CD1-CB 3.95Å; F128-M147 WeakPolarHBondContact O-CE 3.24Å; V129-M147 CarbonylContact O-C 3.59Å; V129-M147 WeakPolarHBondContact O-CA 3.27Å; V130-M147 HydrophobicContact CG2-CE 4.1Å; V130-M147 HydrophobicContact CG2-CG 4.27Å
148K97.9Very high97.2Very high69 Ų6956.3 Ų56.330%0.330%0.303SS..EExtended strand (participates in β ladder)trans-127.1141.3176.7-63.4-174.3-178.8-167.40111Y106 V107 F128 V129Y106-K148 HydrophobicContact CD2-CB 4.23Å; Y106-K148 HydrophobicContact CD2-CD 3.89Å; Y106-K148 HydrophobicContact CD2-CG 4.01Å; Y106-K148 HydrophobicContact CE2-CD 3.64Å; Y106-K148 HydrophobicContact CE2-CG 4.01Å; Y106-K148 PolarHBondContact OH-NZ 2.92Å; V107-K148 CarbonylContact O-C 3.48Å; V107-K148 WeakPolarHBondContact O-CA 3.29Å; F128-K148 CarbonylContact C-O 3.58Å; F128-K148 VanDerWaalsContact CA-O 3.31Å; F128-K148 WeakPolarHBondContact CA-O 3.39Å; F128-K148 VanDerWaalsContact CD1-C 3.48Å; V129-K148 WeakPolarHBondContact CG2-O 3.07Å; V129-K148 PolarHBondContact N-O 2.89Å; V129-K148 PolarHBondContact O-N 3.29Å
149R97.9Very high97.1Very high36 Ų3656.1 Ų56.114%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-119.4122.2167.2172.5-170.2179.1177.93.6108.3N92 Y106 V107 L126 F128N92-R149 PolarHBondContact OD1-NH1 2.94Å; N92-R149 PolarHBondContact OD1-NH2 3.07Å; Y106-R149 CarbonylContact C-O 3.42Å; Y106-R149 VanDerWaalsContact CA-O 3.27Å; Y106-R149 WeakPolarHBondContact CA-O 3.27Å; Y106-R149 WeakPolarHBondContact CB-O 3.1Å; V107-R149 HydrophobicContact CG1-CB 3.82Å; V107-R149 HydrophobicContact CG1-CG 4.37Å; V107-R149 PolarHBondContact N-O 2.87Å; V107-R149 PolarHBondContact O-N 3.18Å; L126-R149 WeakPolarHBondContact O-CD 3.47Å; L126-R149 PolarHBondContact O-NE 3.04Å; F128-R149 HydrophobicContact CB-CB 4.5Å; F128-R149 HydrophobicContact CD1-CB 3.68Å; F128-R149 HydrophobicContact CD2-CB 3.65Å; F128-R149 HydrophobicContact CD2-CG 4.33Å; F128-R149 HydrophobicContact CE1-CB 3.64Å; F128-R149 HydrophobicContact CE2-CB 3.62Å; F128-R149 HydrophobicContact CE2-CG 4.23Å; F128-R149 HydrophobicContact CG-CB 3.68Å; F128-R149 HydrophobicContact CZ-CB 3.61Å
150D97.2Very high97Very high85 Ų8552.1 Ų52.146%0.45527%0.273SS..EExtended strand (participates in β ladder)trans-65136171.7-177.6-85.3000110.5K152D150-K152 WeakPolarHBondContact OD1-CA 3.4Å; D150-K152 WeakPolarHBondContact OD1-CB 3.42Å; D150-K152 PolarHBondContact OD1-N 3.14Å
151L97.9Very high96.9Very high1 Ų152.3 Ų52.31%0.00529%0.29CS..  trans-102.311.3-177.6-63.3175000112.8V99 A104 R105 V107 T153 L154 W155V99-L151 HydrophobicContact CG2-CB 3.92Å; V99-L151 HydrophobicContact CG2-CD1 3.98Å; V99-L151 HydrophobicContact CG2-CG 4.45Å; A104-L151 HydrophobicContact CB-CD1 3.81Å; R105-L151 WeakPolarHBondContact O-CB 3.34Å; R105-L151 PolarHBondContact O-N 2.99Å; V107-L151 HydrophobicContact CB-CD1 4.3Å; V107-L151 HydrophobicContact CG1-CD2 3.98Å; V107-L151 HydrophobicContact CG1-CG 4.41Å; L151-T153 VanDerWaalsContact C-N 3.34Å; L151-T153 PolarHBondContact O-N 2.82Å; L151-L154 HydrophobicContact CD2-CD1 3.78Å; L151-L154 CarbonylContact O-C 3.56Å; L151-L154 WeakPolarHBondContact O-CA 3.44Å; L151-L154 PolarHBondContact O-N 2.89Å; L151-W155 WeakPolarHBondContact O-CB 3.15Å; L151-W155 PolarHBondContact O-N 3.35Å
152K97.1Very high96.7Very high70 Ų7057.2 Ų57.230%0.30431%0.307SS..Hα-helixtrans-53.5-47.3-178.4-179.454171.4-76.60112.6D150 L154 W155 D156 F165D150-K152 WeakPolarHBondContact OD1-CA 3.4Å; D150-K152 WeakPolarHBondContact OD1-CB 3.42Å; D150-K152 PolarHBondContact OD1-N 3.14Å; K152-L154 PolarHBondContact O-N 3.48Å; K152-W155 CarbonylContact O-C 3.56Å; K152-W155 WeakPolarHBondContact O-CA 3.5Å; K152-W155 WeakPolarHBondContact O-CB 3.36Å; K152-W155 PolarHBondContact O-N 3.02Å; K152-W155 VanDerWaalsContact O-N 3.08Å; K152-D156 WeakPolarHBondContact CD-OD1 3.35Å; K152-D156 WeakPolarHBondContact CE-OD1 3.39Å; K152-D156 WeakPolarHBondContact CE-OD2 3.44Å; K152-D156 VanDerWaalsContact O-CG 3.24Å; K152-D156 PolarHBondContact O-N 3.35Å; K152-F165 HydrophobicContact CB-CE1 4.06Å; K152-F165 HydrophobicContact CB-CE2 4.18Å; K152-F165 HydrophobicContact CB-CZ 3.87Å; K152-F165 HydrophobicContact CD-CB 3.91Å; K152-F165 HydrophobicContact CD-CD1 3.69Å; K152-F165 HydrophobicContact CD-CD2 3.98Å; K152-F165 HydrophobicContact CD-CE1 4.1Å; K152-F165 HydrophobicContact CD-CE2 4.37Å; K152-F165 HydrophobicContact CD-CG 3.59Å; K152-F165 HydrophobicContact CD-CZ 4.41Å
153T96.2Very high96.5Very high119 Ų11957.4 Ų57.473%0.7331%0.311SS*.Hα-helixtrans-61.6-33.1178.4-50.40000112.9L151L151-T153 VanDerWaalsContact C-N 3.34Å; L151-T153 PolarHBondContact O-N 2.82Å
154L96.9Very high96.3Very high25 Ų2560.1 Ų60.113%0.13133%0.331CS..Hα-helixtrans-78-36.6174.4-75.9170.3000111.2V99 L151 K152 K157 Y158V99-L154 HydrophobicContact CG2-CB 4.16Å; L151-L154 HydrophobicContact CD2-CD1 3.78Å; L151-L154 CarbonylContact O-C 3.56Å; L151-L154 WeakPolarHBondContact O-CA 3.44Å; L151-L154 PolarHBondContact O-N 2.89Å; K152-L154 PolarHBondContact O-N 3.48Å; L154-K157 PolarHBondContact O-N 2.96Å; L154-Y158 HydrophobicContact CD2-CD2 3.89Å; L154-Y158 HydrophobicContact CD2-CE2 3.78Å; L154-Y158 WeakPolarHBondContact O-CB 3.41Å; L154-Y158 WeakPolarHBondContact O-CD2 3.27Å; L154-Y158 PolarHBondContact O-N 2.79Å
155W97.7Very high96.1Very high15 Ų1561.7 Ų61.76%0.05734%0.338CS..Hα-helixtrans-58.9-48.6173.5-174.6-80.4000112V99 H103 L151 K152 K157 Y158 G159 P160 V163 F165V99-W155 HydrophobicContact CG1-CB 4.46Å; V99-W155 HydrophobicContact CG1-CD2 4.47Å; V99-W155 HydrophobicContact CG1-CE3 3.91Å; V99-W155 HydrophobicContact CG1-CZ3 4.5Å; H103-W155 HydrophobicContact CB-CH2 3.79Å; H103-W155 HydrophobicContact CB-CZ3 3.76Å; L151-W155 WeakPolarHBondContact O-CB 3.15Å; L151-W155 PolarHBondContact O-N 3.35Å; K152-W155 CarbonylContact O-C 3.56Å; K152-W155 WeakPolarHBondContact O-CA 3.5Å; K152-W155 WeakPolarHBondContact O-CB 3.36Å; K152-W155 PolarHBondContact O-N 3.02Å; K152-W155 VanDerWaalsContact O-N 3.08Å; W155-K157 PolarHBondContact O-N 3.3Å; W155-Y158 PolarHBondContact O-N 3.03Å; W155-G159 VanDerWaalsContact O-CA 3.24Å; W155-G159 WeakPolarHBondContact O-CA 3.4Å; W155-G159 PolarHBondContact O-N 2.72Å; W155-P160 HydrophobicContact CH2-CG 4.01Å; W155-P160 HydrophobicContact CZ2-CG 3.98Å; W155-V163 HydrophobicContact CH2-CB 4.4Å; W155-V163 HydrophobicContact CH2-CG1 4.19Å; W155-V163 HydrophobicContact CZ2-CB 4.04Å; W155-V163 HydrophobicContact CZ2-CG1 4.11Å; W155-V163 VanDerWaalsContact CZ2-O 3.24Å; W155-V163 WeakPolarHBondContact CZ2-O 3.45Å; W155-F165 HydrophobicContact CB-CD2 3.61Å; W155-F165 HydrophobicContact CB-CE2 4.06Å; W155-F165 AromaticContact CD1-CD2 4Å; W155-F165 HydrophobicContact CD2-CB 4.3Å; W155-F165 AromaticContact CD2-CD2 3.62Å; W155-F165 HydrophobicContact CD2-CD2 3.62Å; W155-F165 HydrophobicContact CD2-CG 4.46Å; W155-F165 AromaticContact CE3-CD2 3.95Å; W155-F165 HydrophobicContact CE3-CD2 3.95Å; W155-F165 HydrophobicContact CG-CB 4.05Å; W155-F165 AromaticContact CG-CD2 3.44Å; W155-F165 HydrophobicContact CG-CD2 3.44Å; W155-F165 VanDerWaalsContact CG-CD2 3.44Å; W155-F165 HydrophobicContact CG-CE2 4.31Å; W155-F165 HydrophobicContact CG-CG 4.2Å
156D96.9Very high95.9Very high112 Ų11263.7 Ų63.760%0.59935%0.348SS*.Hα-helixtrans-62.1-21.1-178.9-64.2-23.6000112.2K152K152-D156 WeakPolarHBondContact CD-OD1 3.35Å; K152-D156 WeakPolarHBondContact CE-OD1 3.39Å; K152-D156 WeakPolarHBondContact CE-OD2 3.44Å; K152-D156 VanDerWaalsContact O-CG 3.24Å; K152-D156 PolarHBondContact O-N 3.35Å
157K96.9Very high95.5Very high148 Ų14870.1 Ų70.164%0.64338%0.376SS*.Hα-helixtrans-98.6-34180-170.7172.2179.7-168.70114.3L154 W155L154-K157 PolarHBondContact O-N 2.96Å; W155-K157 PolarHBondContact O-N 3.3Å
158Y96.8Very high94.9Very high63 Ų6372.3 Ų72.325%0.24739%0.392CS..Hα-helixtrans-132-7.7-168-56.8-67.6000114R96 L154 W155R96-Y158 HydrophobicContact CG-CD1 4.49Å; R96-Y158 HydrophobicContact CG-CD2 3.89Å; R96-Y158 HydrophobicContact CG-CE2 4.23Å; R96-Y158 HydrophobicContact CG-CG 4.03Å; L154-Y158 HydrophobicContact CD2-CD2 3.89Å; L154-Y158 HydrophobicContact CD2-CE2 3.78Å; L154-Y158 WeakPolarHBondContact O-CB 3.41Å; L154-Y158 WeakPolarHBondContact O-CD2 3.27Å; L154-Y158 PolarHBondContact O-N 2.79Å; W155-Y158 PolarHBondContact O-N 3.03Å
159G94.9Very high94Very high21 Ų2176.6 Ų76.622%0.21641%0.41CS..SBendtrans-69.1156.1176.800000111.7W155W155-G159 VanDerWaalsContact O-CA 3.24Å; W155-G159 WeakPolarHBondContact O-CA 3.4Å; W155-G159 PolarHBondContact O-N 2.72Å
160P92.9Very high92.4Very high31 Ų3179.1 Ų79.120%0.20143%0.434CS..  trans-61.6135.8173.129.1-38.8000111.1W155 D162 V163W155-P160 HydrophobicContact CH2-CG 4.01Å; W155-P160 HydrophobicContact CZ2-CG 3.98Å; P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 PolarHBondContact O-N 3.16Å; P160-V163 HydrophobicContact CB-CB 4.48Å; P160-V163 HydrophobicContact CB-CG2 4.15Å; P160-V163 HydrophobicContact CG-CB 3.77Å; P160-V163 HydrophobicContact CG-CG2 3.75Å; P160-V163 PolarHBondContact O-N 3.14Å
161A91.7Very high90.5Very high113 Ų11382.7 Ų82.793%0.93445%0.445SS*.THydrogen-bonded Turntrans-69.3-23.8-175.200000113.7
162D93.5Very high87.7Confident142 Ų14289.1 Ų89.176%0.75948%0.479SS*.THydrogen-bonded Turntrans-93-6.2-176.662.6-46.8000113.8P160P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 PolarHBondContact O-N 3.16Å
163V92.7Very high84.9Confident43 Ų4392.3 Ų92.326%0.26151%0.505SS..SBendtrans-111.7122.5177.1-171.80000109.4W155 P160W155-V163 HydrophobicContact CH2-CB 4.4Å; W155-V163 HydrophobicContact CH2-CG1 4.19Å; W155-V163 HydrophobicContact CZ2-CB 4.04Å; W155-V163 HydrophobicContact CZ2-CG1 4.11Å; W155-V163 VanDerWaalsContact CZ2-O 3.24Å; W155-V163 WeakPolarHBondContact CZ2-O 3.45Å; P160-V163 HydrophobicContact CB-CB 4.48Å; P160-V163 HydrophobicContact CB-CG2 4.15Å; P160-V163 HydrophobicContact CG-CB 3.77Å; P160-V163 HydrophobicContact CG-CG2 3.75Å; P160-V163 PolarHBondContact O-N 3.14Å
164P93.6Very high81.7Confident104 Ų10498.9 Ų98.968%0.67553%0.527SS*.  trans-72.5145.9176.727.9-33.2000111.7R105 K166R105-P164 PolarHBondContact NH2-O 2.52Å; P164-K166 PolarHBondContact O-N 3.33Å
165F95.4Very high80.9Confident32 Ų32102.6 Ų102.614%0.1455%0.547CS..  trans-67.4126.7167.3-171-92.7000109.5R105 K152 W155 E167R105-F165 HydrophobicContact CB-CE2 4.09Å; R105-F165 HydrophobicContact CB-CZ 4.1Å; R105-F165 HydrophobicContact CG-CE2 4.48Å; R105-F165 WeakPolarHBondContact O-CZ 3.4Å; K152-F165 HydrophobicContact CB-CE1 4.06Å; K152-F165 HydrophobicContact CB-CE2 4.18Å; K152-F165 HydrophobicContact CB-CZ 3.87Å; K152-F165 HydrophobicContact CD-CB 3.91Å; K152-F165 HydrophobicContact CD-CD1 3.69Å; K152-F165 HydrophobicContact CD-CD2 3.98Å; K152-F165 HydrophobicContact CD-CE1 4.1Å; K152-F165 HydrophobicContact CD-CE2 4.37Å; K152-F165 HydrophobicContact CD-CG 3.59Å; K152-F165 HydrophobicContact CD-CZ 4.41Å; W155-F165 HydrophobicContact CB-CD2 3.61Å; W155-F165 HydrophobicContact CB-CE2 4.06Å; W155-F165 AromaticContact CD1-CD2 4Å; W155-F165 HydrophobicContact CD2-CB 4.3Å; W155-F165 AromaticContact CD2-CD2 3.62Å; W155-F165 HydrophobicContact CD2-CD2 3.62Å; W155-F165 HydrophobicContact CD2-CG 4.46Å; W155-F165 AromaticContact CE3-CD2 3.95Å; W155-F165 HydrophobicContact CE3-CD2 3.95Å; W155-F165 HydrophobicContact CG-CB 4.05Å; W155-F165 AromaticContact CG-CD2 3.44Å; W155-F165 HydrophobicContact CG-CD2 3.44Å; W155-F165 VanDerWaalsContact CG-CD2 3.44Å; W155-F165 HydrophobicContact CG-CE2 4.31Å; W155-F165 HydrophobicContact CG-CG 4.2Å; F165-E167 HydrophobicContact CD1-CG 4.2Å; F165-E167 HydrophobicContact CE1-CG 4.02Å
166K93.7Very high80Confident99 Ų99107.2 Ų107.243%0.4357%0.573SS.*  trans-107.2119175.7178.8-178.2163.7-154.60107.1D66 V67 R105 P164D66-K166 PolarHBondContact O-NZ 2.97Å; D66-K166 VanDerWaalsContact O-NZ 3.1Å; D66-K166 WeakPolarHBondContact OD1-CE 3.43Å; D66-K166 IonicContact OD1-NZ 3.07Å; D66-K166 PolarHBondContact OD1-NZ 2.87Å; V67-K166 HydrophobicContact CG1-CB 4.29Å; V67-K166 HydrophobicContact CG1-CD 3.66Å; V67-K166 HydrophobicContact CG1-CG 3.86Å; R105-K166 VanDerWaalsContact CD-O 3.3Å; R105-K166 WeakPolarHBondContact CD-O 3.12Å; R105-K166 VanDerWaalsContact CG-O 3.26Å; R105-K166 WeakPolarHBondContact CG-O 3.28Å; P164-K166 PolarHBondContact O-N 3.33Å
167E89.9Confident79.1Confident143 Ų143106.9 Ų106.967%0.66857%0.571SS**PPolyproline II helixtrans-66.8142.2174.4-66.6-178.8-177.200110.2F165F165-E167 HydrophobicContact CD1-CG 4.2Å; F165-E167 HydrophobicContact CE1-CG 4.02Å
168S85.4Confident78Confident47 Ų47104.5 Ų104.533%0.32957%0.567SS.*PPolyproline II helixtrans-69.5137.8173.764.80000109.8D66 S170D66-S168 WeakPolarHBondContact OD2-CA 3.32Å; S168-S170 PolarHBondContact O-N 2.82Å
169K79Confident76.8Confident160 Ų160107.1 Ų107.170%0.69659%0.587SS**PPolyproline II helixtrans-56.7122.5171.3-67175.1-175.7175.80109.3D66 K171D66-K169 WeakPolarHBondContact OD2-CG 3.29Å; D66-K169 PolarHBondContact OD2-N 2.83Å; K169-K171 PolarHBondContact O-N 2.9Å
170S64.5Low75.6Confident89 Ų89112.8 Ų112.862%0.62261%0.612SS**PPolyproline II helixtrans-63.1121.6166.756.40000107.4S168 N172S168-S170 PolarHBondContact O-N 2.82Å; S170-N172 PolarHBondContact O-N 3.2Å; S170-N172 PolarHBondContact OG-OD1 3.37Å
171K57.2Low74.4Confident160 Ų160118.6 Ų118.670%0.69664%0.641SS**  trans-66.987.5160.1-71.2-171.1179.7-176.20104.8E65 K169 T173E65-K171 IonicContact OE1-NZ 2.79Å; E65-K171 WeakPolarHBondContact OE2-CE 3.4Å; E65-K171 IonicContact OE2-NZ 3.46Å; E65-K171 PolarHBondContact OE2-NZ 3.01Å; K169-K171 PolarHBondContact O-N 2.9Å; K171-T173 VanDerWaalsContact C-N 3.27Å; K171-T173 PolarHBondContact O-N 3.23Å
172N39.7Very low73.1Confident136 Ų136119.1 Ų119.173%0.72762%0.619SS**  trans-62.8100.1165.2-81.6-0.6000105.4S170 Q174S170-N172 PolarHBondContact O-N 3.2Å; S170-N172 PolarHBondContact OG-OD1 3.37Å; N172-Q174 PolarHBondContact O-N 3.23Å; N172-Q174 VanDerWaalsContact O-N 3.1Å
173T37.5Very low71.4Confident137 Ų137117.2 Ų117.284%0.8461%0.607SS**  trans-59.9110.5167.1-36.60000106.6K171K171-T173 VanDerWaalsContact C-N 3.27Å; K171-T173 PolarHBondContact O-N 3.23Å
174Q28Very low69.4Low256 Ų256123.9 Ų123.9100%1.19664%0.638SS**  trans-65.10162.2-75.9-176-300109.8N172N172-Q174 PolarHBondContact O-N 3.23Å; N172-Q174 VanDerWaalsContact O-N 3.1Å

Retrieved 174 of 174 residues in 37 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).