A0A3P9N5B8_POERE Loading...

calcium/calmodulin-dependent protein kinase

CaM-kinase II (CAMK2) is a prominent kinase in the central nervous system.

AlphaFold DB , UniProt , Accession A0A3P9N5B8, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 478 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
1M34.2Very low60.4Low242 Ų242109.2 Ų109.2100%1.19263%0.626SS**  0111.50-75.1178.9176.700107T3M1-T3 PolarHBondContact O-N 3.17Å
2A31.6Very low63.1Low97 Ų97103.3 Ų103.380%0.80259%0.589SS**  trans-72.7117.8172.200000107.5V4A2-V4 PolarHBondContact O-N 2.99Å
3T30.4Very low65.7Low131 Ų13196 Ų9680%0.80455%0.546SS*.  trans-64101.8172.7-13.70000107.2M1 I5M1-T3 PolarHBondContact O-N 3.17Å; T3-I5 VanDerWaalsContact C-N 3.33Å; T3-I5 PolarHBondContact O-N 2.99Å
4V38.6Very low67.9Low132 Ų13297 Ų9780%0.854%0.544SS*.  trans-71.197.5168.2-1790000105.5A2 S6A2-V4 PolarHBondContact O-N 2.99Å; V4-S6 PolarHBondContact O-N 3.43Å
5I45Very low69.8Low138 Ų13894.3 Ų94.371%0.70853%0.528SS*.  trans-66.5104.3169-61167.4000105T3 T7T3-I5 VanDerWaalsContact C-N 3.33Å; T3-I5 PolarHBondContact O-N 2.99Å; I5-T7 VanDerWaalsContact C-N 3.34Å; I5-T7 HydrophobicContact CG2-CG2 4.19Å; I5-T7 PolarHBondContact O-N 3.24Å
6S53.6Low71.5Confident97 Ų9793.3 Ų93.368%0.67851%0.514SS*.  trans-66.397.6169.5-1770000107V4 R8V4-S6 PolarHBondContact O-N 3.43Å; S6-R8 PolarHBondContact O-N 3.47Å
7T69.8Low72.8Confident62 Ų6293.2 Ų93.238%0.3851%0.509SS..  trans-72.6119.4177.947.30000109I5 E12 I79I5-T7 VanDerWaalsContact C-N 3.34Å; I5-T7 HydrophobicContact CG2-CG2 4.19Å; I5-T7 PolarHBondContact O-N 3.24Å; T7-E12 WeakPolarHBondContact CB-OE1 3.43Å; T7-E12 VanDerWaalsContact CG2-OE1 3.24Å; T7-E12 WeakPolarHBondContact CG2-OE1 3.38Å; T7-E12 PolarHBondContact OG1-OE1 2.6Å; T7-I79 WeakPolarHBondContact O-CG2 3.45Å
8R87.8Confident73.9Confident134 Ų13494.1 Ų94.151%0.50651%0.509SS..  trans-80.4146.5172.1-59.1179.7-64.41756108.6S6 S10 D11 E81S6-R8 PolarHBondContact O-N 3.47Å; R8-S10 PolarHBondContact O-N 3.18Å; R8-D11 WeakPolarHBondContact CB-OD2 3.37Å; R8-D11 IonicContact CZ-OD1 3.35Å; R8-D11 IonicContact CZ-OD2 2.69Å; R8-D11 IonicContact NE-OD1 3.86Å; R8-D11 PolarHBondContact NE-OD1 3.01Å; R8-D11 IonicContact NE-OD2 3.2Å; R8-D11 PolarHBondContact NE-OD2 3.35Å; R8-D11 IonicContact NH2-OD1 3.92Å; R8-D11 PolarHBondContact NH2-OD1 3.4Å; R8-D11 IonicContact NH2-OD2 3.46Å; R8-D11 PolarHBondContact NH2-OD2 3.4Å; R8-D11 PolarHBondContact O-N 2.76Å; R8-E81 WeakPolarHBondContact CA-OE1 3.4Å; R8-E81 WeakPolarHBondContact CB-OE1 3.38Å
9F92.2Very high74.6Confident7 Ų793.6 Ų93.63%0.03151%0.505CS..Hα-helixtrans-54.5-43175.4171.4-82.5000110.5D11 E12 Y13 L15 C30 A41 I79 E81 Y86 I88F9-D11 PolarHBondContact O-N 2.83Å; F9-E12 PolarHBondContact O-N 3.15Å; F9-E12 VanDerWaalsContact O-N 3.14Å; F9-Y13 HydrophobicContact CD2-CD2 4.13Å; F9-Y13 HydrophobicContact CD2-CG 4.29Å; F9-Y13 VanDerWaalsContact CE2-CB 3.49Å; F9-Y13 HydrophobicContact CE2-CD2 4.16Å; F9-Y13 AromaticContact CE2-CG 3.88Å; F9-Y13 HydrophobicContact CE2-CG 3.88Å; F9-Y13 HydrophobicContact CZ-CG 4.21Å; F9-Y13 PolarHBondContact O-N 2.77Å; F9-L15 HydrophobicContact CE1-CD1 3.93Å; F9-L15 HydrophobicContact CE1-CD2 3.96Å; F9-L15 HydrophobicContact CE1-CG 3.57Å; F9-L15 HydrophobicContact CZ-CD1 4.41Å; F9-L15 HydrophobicContact CZ-CD2 3.61Å; F9-L15 HydrophobicContact CZ-CG 3.76Å; F9-C30 HydrophobicContact CZ-CB 4.12Å; F9-A41 HydrophobicContact CE2-CB 4.06Å; F9-A41 HydrophobicContact CZ-CB 4.3Å; F9-I79 HydrophobicContact CB-CD1 4.31Å; F9-I79 HydrophobicContact CB-CG2 4.31Å; F9-I79 HydrophobicContact CD2-CD1 4.3Å; F9-E81 PolarHBondContact N-OE1 3.44Å; F9-Y86 HydrophobicContact CB-CD1 4.17Å; F9-Y86 HydrophobicContact CB-CD2 3.78Å; F9-Y86 HydrophobicContact CB-CE1 4.24Å; F9-Y86 HydrophobicContact CB-CE2 3.87Å; F9-Y86 HydrophobicContact CB-CG 3.96Å; F9-Y86 HydrophobicContact CD1-CD1 4.09Å; F9-Y86 AromaticContact CD1-CE1 3.88Å; F9-Y86 HydrophobicContact CD1-CE1 3.88Å; F9-Y86 AromaticContact CD2-CD1 3.44Å; F9-Y86 HydrophobicContact CD2-CD1 3.44Å; F9-Y86 VanDerWaalsContact CD2-CD1 3.44Å; F9-Y86 HydrophobicContact CD2-CD2 4.3Å; F9-Y86 HydrophobicContact CD2-CE1 4.08Å; F9-Y86 AromaticContact CD2-CG 3.58Å; F9-Y86 HydrophobicContact CD2-CG 3.58Å; F9-Y86 HydrophobicContact CE1-CD1 4.47Å; F9-Y86 HydrophobicContact CE1-CE1 4.34Å; F9-Y86 AromaticContact CE2-CD1 3.82Å; F9-Y86 HydrophobicContact CE2-CD1 3.82Å; F9-Y86 HydrophobicContact CE2-CE1 4.47Å; F9-Y86 HydrophobicContact CE2-CG 4.32Å; F9-Y86 AromaticContact CG-CD1 3.59Å; F9-Y86 HydrophobicContact CG-CD1 3.59Å; F9-Y86 HydrophobicContact CG-CD2 4.13Å; F9-Y86 AromaticContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE2 4.29Å; F9-Y86 AromaticContact CG-CG 3.8Å; F9-Y86 HydrophobicContact CG-CG 3.8Å; F9-Y86 HydrophobicContact CZ-CD1 4.32Å; F9-I88 HydrophobicContact CD2-CD1 3.96Å; F9-I88 HydrophobicContact CE2-CD1 3.58Å
10S90.1Very high74.9Confident77 Ų7790.3 Ų90.354%0.53849%0.494SS..Hα-helixtrans-64.9-20-179.160.70000114.6R8R8-S10 PolarHBondContact O-N 3.18Å
11D90.8Very high75.1Confident84 Ų8492 Ų9245%0.44950%0.497SS..Hα-helixtrans-82.2-25.6178.7-59.9-26000111R8 F9R8-D11 WeakPolarHBondContact CB-OD2 3.37Å; R8-D11 IonicContact CZ-OD1 3.35Å; R8-D11 IonicContact CZ-OD2 2.69Å; R8-D11 IonicContact NE-OD1 3.86Å; R8-D11 PolarHBondContact NE-OD1 3.01Å; R8-D11 IonicContact NE-OD2 3.2Å; R8-D11 PolarHBondContact NE-OD2 3.35Å; R8-D11 IonicContact NH2-OD1 3.92Å; R8-D11 PolarHBondContact NH2-OD1 3.4Å; R8-D11 IonicContact NH2-OD2 3.46Å; R8-D11 PolarHBondContact NH2-OD2 3.4Å; R8-D11 PolarHBondContact O-N 2.76Å; F9-D11 PolarHBondContact O-N 2.83Å
12E93.3Very high76.8Confident39 Ų3981.8 Ų81.818%0.18245%0.454CS..Hα-helixtrans-108.9-26.1-176.3-71.4-166-137.600114.4T7 F9 K32 V33T7-E12 WeakPolarHBondContact CB-OE1 3.43Å; T7-E12 VanDerWaalsContact CG2-OE1 3.24Å; T7-E12 WeakPolarHBondContact CG2-OE1 3.38Å; T7-E12 PolarHBondContact OG1-OE1 2.6Å; F9-E12 PolarHBondContact O-N 3.15Å; F9-E12 VanDerWaalsContact O-N 3.14Å; E12-K32 CarbonylContact O-C 3.55Å; E12-K32 WeakPolarHBondContact O-CA 3.31Å; E12-K32 WeakPolarHBondContact OE2-CE 3.42Å; E12-K32 IonicContact OE2-NZ 3.91Å; E12-K32 PolarHBondContact OE2-NZ 3Å; E12-V33 PolarHBondContact O-N 3.41Å
13Y96.6Very high78.4Confident8 Ų879.2 Ų79.23%0.03143%0.432CS..EExtended strand (participates in β ladder)trans-135.1142.4-170.2-65.4-91.2000112.5F9 V31 K32 Y39 I79 I88F9-Y13 HydrophobicContact CD2-CD2 4.13Å; F9-Y13 HydrophobicContact CD2-CG 4.29Å; F9-Y13 VanDerWaalsContact CE2-CB 3.49Å; F9-Y13 HydrophobicContact CE2-CD2 4.16Å; F9-Y13 AromaticContact CE2-CG 3.88Å; F9-Y13 HydrophobicContact CE2-CG 3.88Å; F9-Y13 HydrophobicContact CZ-CG 4.21Å; F9-Y13 PolarHBondContact O-N 2.77Å; Y13-V31 WeakPolarHBondContact CA-O 3.41Å; Y13-K32 HydrophobicContact CD1-CB 3.95Å; Y13-K32 HydrophobicContact CD1-CG 4.4Å; Y13-K32 HydrophobicContact CE1-CB 3.66Å; Y13-K32 HydrophobicContact CE1-CD 4.13Å; Y13-K32 HydrophobicContact CE1-CG 3.98Å; Y13-K32 PolarHBondContact OH-NZ 2.87Å; Y13-Y39 HydrophobicContact CD1-CD2 4.45Å; Y13-Y39 AromaticContact CE1-CD2 3.8Å; Y13-Y39 HydrophobicContact CE1-CD2 3.8Å; Y13-Y39 HydrophobicContact CE1-CE2 4.12Å; Y13-I79 HydrophobicContact CD2-CD1 4.14Å; Y13-I79 HydrophobicContact CE2-CD1 3.99Å; Y13-I88 HydrophobicContact CE1-CG2 3.87Å; Y13-I88 HydrophobicContact CE2-CG1 4.45Å
14Q96.9Very high80.4Confident110 Ų11075.7 Ų75.751%0.51441%0.406SS..EExtended strand (participates in β ladder)trans-108129.1171.9-176170.74.100110.5Y16 C30 V31Q14-Y16 HydrophobicContact CB-CE2 4.06Å; Q14-Y16 HydrophobicContact CG-CE2 3.87Å; Q14-Y16 WeakPolarHBondContact O-CD2 3.24Å; Q14-Y16 WeakPolarHBondContact O-CE2 3.48Å; Q14-Y16 PolarHBondContact OE1-OH 3.2Å; Q14-C30 CarbonylContact O-C 3.58Å; Q14-C30 WeakPolarHBondContact O-CA 3.37Å; Q14-C30 VanDerWaalsContact O-CB 3.31Å; Q14-C30 WeakPolarHBondContact O-CB 3.34Å; Q14-V31 PolarHBondContact N-O 2.85Å; Q14-V31 PolarHBondContact O-N 3.47Å
15L96.8Very high82.5Confident57 Ų5770.5 Ų70.530%0.29838%0.375SS..EExtended strand (participates in β ladder)trans-85.1146.4178.5-72.8167.9000112.7F9 R28 C30 A41 I43F9-L15 HydrophobicContact CE1-CD1 3.93Å; F9-L15 HydrophobicContact CE1-CD2 3.96Å; F9-L15 HydrophobicContact CE1-CG 3.57Å; F9-L15 HydrophobicContact CZ-CD1 4.41Å; F9-L15 HydrophobicContact CZ-CD2 3.61Å; F9-L15 HydrophobicContact CZ-CG 3.76Å; L15-R28 HydrophobicContact CD2-CB 3.99Å; L15-C30 HydrophobicContact CD2-CB 4.07Å; L15-A41 HydrophobicContact CD2-CB 4.12Å; L15-I43 HydrophobicContact CD1-CD1 3.78Å; L15-I43 HydrophobicContact CD2-CD1 3.78Å; L15-I43 HydrophobicContact CG-CD1 4.46Å
16Y96.1Very high84.6Confident78 Ų7865.6 Ų65.631%0.30635%0.352SS..EExtended strand (participates in β ladder)trans-131.7-146.5177.6-66.1-94.8000111.2Q14 R28 R29 V31Q14-Y16 HydrophobicContact CB-CE2 4.06Å; Q14-Y16 HydrophobicContact CG-CE2 3.87Å; Q14-Y16 WeakPolarHBondContact O-CD2 3.24Å; Q14-Y16 WeakPolarHBondContact O-CE2 3.48Å; Q14-Y16 PolarHBondContact OE1-OH 3.2Å; Y16-R28 PolarHBondContact O-NE 3.05Å; Y16-R28 PolarHBondContact O-NH2 3.36Å; Y16-R29 PolarHBondContact N-O 2.99Å; Y16-V31 HydrophobicContact CD2-CG2 3.95Å; Y16-V31 HydrophobicContact CE2-CB 3.83Å; Y16-V31 HydrophobicContact CE2-CG2 3.39Å
17E93.9Very high86.4Confident91 Ų9162.9 Ų62.943%0.42533%0.331SS..EExtended strand (participates in β ladder)trans-62.4157.2-173.572.4-74.3171.300114.1L19 R28 R29E17-L19 HydrophobicContact CG-CD2 4.47Å; E17-R28 CarbonylContact O-C 3.59Å; E17-R28 VanDerWaalsContact O-CA 3.29Å; E17-R28 WeakPolarHBondContact O-CA 3.31Å; E17-R28 WeakPolarHBondContact O-CB 3.44Å; E17-R29 VanDerWaalsContact CD-NE 3.31Å; E17-R29 PolarHBondContact O-N 3.48Å; E17-R29 WeakPolarHBondContact OE1-CD 3.5Å; E17-R29 IonicContact OE1-CZ 2.71Å; E17-R29 IonicContact OE1-NE 3.66Å; E17-R29 PolarHBondContact OE1-NE 2.84Å; E17-R29 IonicContact OE1-NH2 3.62Å; E17-R29 IonicContact OE2-CZ 2.82Å; E17-R29 IonicContact OE2-NE 3.3Å; E17-R29 PolarHBondContact OE2-NE 3.32Å; E17-R29 VanDerWaalsContact OE2-NE 3.15Å; E17-R29 IonicContact OE2-NH2 2.69Å; E17-R29 PolarHBondContact OE2-NH2 3.22Å
18E93.4Very high87.7Confident110 Ų11064.3 Ų64.351%0.51433%0.33SS..EExtended strand (participates in β ladder)trans-75.2133.8172.5-176.8174.3130.300110.7V26 R28E18-V26 HydrophobicContact CB-CG2 4.5Å; E18-V26 VanDerWaalsContact CD-CG2 3.48Å; E18-V26 HydrophobicContact CG-CG2 3.59Å; E18-V26 VanDerWaalsContact OE2-CG2 3.24Å; E18-V26 WeakPolarHBondContact OE2-CG2 3.42Å; E18-R28 HydrophobicContact CB-CG 4.5Å
19L86.7Confident88.1Confident84 Ų8459.7 Ų59.744%0.4431%0.312SS..EExtended strand (participates in β ladder)trans-103.1-26.9177-57.1177.2000111.7E17 V27 R29 A40 L91E17-L19 HydrophobicContact CG-CD2 4.47Å; L19-V27 HydrophobicContact CB-CG1 4.29Å; L19-V27 HydrophobicContact CD1-CG1 4.41Å; L19-V27 PolarHBondContact N-O 3.32Å; L19-R29 HydrophobicContact CD1-CB 4.16Å; L19-R29 HydrophobicContact CD2-CB 4.33Å; L19-R29 HydrophobicContact CG-CB 4.34Å; L19-A40 HydrophobicContact CD1-CB 4.11Å; L19-L91 HydrophobicContact CD1-CD1 3.48Å; L19-L91 VanDerWaalsContact CD1-CD1 3.48Å
20G80.8Confident88.4Confident27 Ų2759.3 Ų59.328%0.27831%0.311SS..EExtended strand (participates in β ladder)trans-177.7165.6177.200000112.8V27G20-V27 PolarHBondContact N-O 3.48Å; G20-V27 PolarHBondContact O-N 3.31Å
21K78.6Confident88.7Confident127 Ų12756.7 Ų56.755%0.55229%0.291SS*.EExtended strand (participates in β ladder)trans-134.4136.8-177.3-168.2178.3178.9-1700110.5
22G69.3Low89Confident28 Ų2854.9 Ų54.929%0.28928%0.279SS..  trans-120.2-179.117100000110.9F24 S25G22-F24 VanDerWaalsContact C-N 3.3Å; G22-F24 PolarHBondContact O-N 3.26Å; G22-S25 PolarHBondContact N-O 3.12Å
23A66.8Low89Confident43 Ų4357 Ų5736%0.35530%0.295SS..SBendtrans-58.3-36.5-174.500000114.2
24F71.1Confident88.8Confident56 Ų5664.2 Ų64.225%0.24633%0.333CS..SBendtrans-128.27.4-176.7-50.4-70000113.6G22 N45 L49 N312G22-F24 VanDerWaalsContact C-N 3.3Å; G22-F24 PolarHBondContact O-N 3.26Å; F24-N45 PolarHBondContact O-N 3.17Å; F24-L49 HydrophobicContact CB-CD2 3.91Å; F24-L49 HydrophobicContact CD2-CD2 4.43Å; F24-L49 HydrophobicContact CG-CD2 4.04Å; F24-N312 HydrophobicContact CZ-CB 4.23Å
25S83.1Confident88.6Confident23 Ų2362.6 Ų62.616%0.16133%0.334CS..EExtended strand (participates in β ladder)trans-144149.1-173.266.50000112G22 I43G22-S25 PolarHBondContact N-O 3.12Å; S25-I43 CarbonylContact C-O 3.6Å; S25-I43 WeakPolarHBondContact CA-O 3.4Å; S25-I43 WeakPolarHBondContact CB-O 3.31Å
26V89.2Confident88.5Confident35 Ų3562.3 Ų62.321%0.21234%0.344CS..EExtended strand (participates in β ladder)trans-117.3139.5166.963.90000108.6E18 R28 I43E18-V26 HydrophobicContact CB-CG2 4.5Å; E18-V26 VanDerWaalsContact CD-CG2 3.48Å; E18-V26 HydrophobicContact CG-CG2 3.59Å; E18-V26 VanDerWaalsContact OE2-CG2 3.24Å; E18-V26 WeakPolarHBondContact OE2-CG2 3.42Å; V26-R28 HydrophobicContact CG1-CG 4.39Å; V26-R28 HydrophobicContact CG2-CG 4.04Å; V26-I43 HydrophobicContact CG1-CB 3.94Å; V26-I43 HydrophobicContact CG1-CD1 4.13Å; V26-I43 HydrophobicContact CG1-CG1 4.36Å; V26-I43 PolarHBondContact N-O 3.39Å; V26-I43 PolarHBondContact O-N 2.97Å
27V92.3Very high88.5Confident41 Ų4163.7 Ų63.725%0.24835%0.354CS..EExtended strand (participates in β ladder)trans-102.6122.3173.6-174.10000107.6L19 G20 A40 A41 K42L19-V27 HydrophobicContact CB-CG1 4.29Å; L19-V27 HydrophobicContact CD1-CG1 4.41Å; L19-V27 PolarHBondContact N-O 3.32Å; G20-V27 PolarHBondContact N-O 3.48Å; G20-V27 PolarHBondContact O-N 3.31Å; V27-A40 HydrophobicContact CG1-CB 4.08Å; V27-A41 WeakPolarHBondContact CA-O 3.31Å; V27-K42 HydrophobicContact CG2-CB 4.22Å; V27-K42 HydrophobicContact CG2-CG 4.17Å
28R95.8Very high88.6Confident91 Ų9163.5 Ų63.534%0.34335%0.353SS..EExtended strand (participates in β ladder)trans-125149.3178.9-62.5-17470.5163.52.2110.5L15 Y16 E17 E18 V26 A41 I43L15-R28 HydrophobicContact CD2-CB 3.99Å; Y16-R28 PolarHBondContact O-NE 3.05Å; Y16-R28 PolarHBondContact O-NH2 3.36Å; E17-R28 CarbonylContact O-C 3.59Å; E17-R28 VanDerWaalsContact O-CA 3.29Å; E17-R28 WeakPolarHBondContact O-CA 3.31Å; E17-R28 WeakPolarHBondContact O-CB 3.44Å; E18-R28 HydrophobicContact CB-CG 4.5Å; V26-R28 HydrophobicContact CG1-CG 4.39Å; V26-R28 HydrophobicContact CG2-CG 4.04Å; R28-A41 PolarHBondContact N-O 3.21Å; R28-A41 PolarHBondContact O-N 3.14Å; R28-I43 HydrophobicContact CB-CD1 4.46Å; R28-I43 HydrophobicContact CG-CD1 4.21Å
29R96.7Very high88.8Confident37 Ų3759.8 Ų59.814%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-65.4140.4167.2-173.2174.56280.88.1108.8Y16 E17 L19 E38 L91Y16-R29 PolarHBondContact N-O 2.99Å; E17-R29 VanDerWaalsContact CD-NE 3.31Å; E17-R29 PolarHBondContact O-N 3.48Å; E17-R29 WeakPolarHBondContact OE1-CD 3.5Å; E17-R29 IonicContact OE1-CZ 2.71Å; E17-R29 IonicContact OE1-NE 3.66Å; E17-R29 PolarHBondContact OE1-NE 2.84Å; E17-R29 IonicContact OE1-NH2 3.62Å; E17-R29 IonicContact OE2-CZ 2.82Å; E17-R29 IonicContact OE2-NE 3.3Å; E17-R29 PolarHBondContact OE2-NE 3.32Å; E17-R29 VanDerWaalsContact OE2-NE 3.15Å; E17-R29 IonicContact OE2-NH2 2.69Å; E17-R29 PolarHBondContact OE2-NH2 3.22Å; L19-R29 HydrophobicContact CD1-CB 4.16Å; L19-R29 HydrophobicContact CD2-CB 4.33Å; L19-R29 HydrophobicContact CG-CB 4.34Å; R29-E38 IonicContact CZ-OE1 3.67Å; R29-E38 IonicContact NE-OE1 2.78Å; R29-E38 IonicContact NH1-OE1 2.74Å; R29-E38 PolarHBondContact NH1-OE1 3.06Å; R29-L91 HydrophobicContact CG-CD1 4.36Å; R29-L91 HydrophobicContact CG-CD2 3.93Å
30C97.4Very high89.3Confident0 Ų056.3 Ų56.30%032%0.318CS..EExtended strand (participates in β ladder)trans-140.1157.9172.470.70000111.5F9 Q14 L15 E38 Y39 A41F9-C30 HydrophobicContact CZ-CB 4.12Å; Q14-C30 CarbonylContact O-C 3.58Å; Q14-C30 WeakPolarHBondContact O-CA 3.37Å; Q14-C30 VanDerWaalsContact O-CB 3.31Å; Q14-C30 WeakPolarHBondContact O-CB 3.34Å; L15-C30 HydrophobicContact CD2-CB 4.07Å; C30-E38 CarbonylContact O-C 3.55Å; C30-E38 WeakPolarHBondContact O-CA 3.23Å; C30-Y39 PolarHBondContact N-O 3.26Å; C30-Y39 PolarHBondContact O-N 3.42Å; C30-A41 HydrophobicContact CB-CB 4.19Å
31V97.2Very high90Very high21 Ų2155 Ų5513%0.12730%0.304CS..EExtended strand (participates in β ladder)trans-124131.4178.4-179.20000108.6Y13 Q14 Y16 V33 Q37 E38Y13-V31 WeakPolarHBondContact CA-O 3.41Å; Q14-V31 PolarHBondContact N-O 2.85Å; Q14-V31 PolarHBondContact O-N 3.47Å; Y16-V31 HydrophobicContact CD2-CG2 3.95Å; Y16-V31 HydrophobicContact CE2-CB 3.83Å; Y16-V31 HydrophobicContact CE2-CG2 3.39Å; V31-V33 PolarHBondContact O-N 2.82Å; V31-Q37 WeakPolarHBondContact CA-O 3.06Å; V31-E38 HydrophobicContact CG2-CG 4.11Å
32K96.4Very high90.8Very high46 Ų4650.3 Ų50.320%0.228%0.284CS..EExtended strand (participates in β ladder)trans-74.3119.5174.4-171.5165-166.7134.20109.5E12 Y13 L34 S35 G36 Q37 Y39E12-K32 CarbonylContact O-C 3.55Å; E12-K32 WeakPolarHBondContact O-CA 3.31Å; E12-K32 WeakPolarHBondContact OE2-CE 3.42Å; E12-K32 IonicContact OE2-NZ 3.91Å; E12-K32 PolarHBondContact OE2-NZ 3Å; Y13-K32 HydrophobicContact CD1-CB 3.95Å; Y13-K32 HydrophobicContact CD1-CG 4.4Å; Y13-K32 HydrophobicContact CE1-CB 3.66Å; Y13-K32 HydrophobicContact CE1-CD 4.13Å; Y13-K32 HydrophobicContact CE1-CG 3.98Å; Y13-K32 PolarHBondContact OH-NZ 2.87Å; K32-L34 VanDerWaalsContact C-N 3.35Å; K32-L34 PolarHBondContact O-N 3.43Å; K32-S35 PolarHBondContact O-N 3.27Å; K32-G36 WeakPolarHBondContact O-CA 3.26Å; K32-G36 PolarHBondContact O-N 3.34Å; K32-Q37 PolarHBondContact N-O 3.43Å; K32-Y39 HydrophobicContact CB-CD2 4.33Å; K32-Y39 HydrophobicContact CB-CE2 3.85Å
33V93.6Very high91.9Very high85 Ų8549.9 Ų49.952%0.51528%0.275SS..THydrogen-bonded Turntrans-57.6-44.5-168.3175.40000112.2E12 V31E12-V33 PolarHBondContact O-N 3.41Å; V31-V33 PolarHBondContact O-N 2.82Å
34L92.5Very high93Very high159 Ų15948.3 Ų48.383%0.83226%0.26SS*.THydrogen-bonded Turntrans-74.1-30.4-174.8-64.7177.7000114K32K32-L34 VanDerWaalsContact C-N 3.35Å; K32-L34 PolarHBondContact O-N 3.43Å
35S94.1Very high93.7Very high76 Ų7647.7 Ų47.753%0.53126%0.26SS..THydrogen-bonded Turntrans-107.1-17-175.262.40000114.1K32 Q37K32-S35 PolarHBondContact O-N 3.27Å; S35-Q37 PolarHBondContact O-N 3.26Å; S35-Q37 WeakPolarHBondContact OG-CB 3.37Å; S35-Q37 PolarHBondContact OG-N 2.89Å
36G93.3Very high93.8Very high50 Ų5047.6 Ų47.652%0.51526%0.258SS..  trans69.56.6-170.600000114.1K32K32-G36 WeakPolarHBondContact O-CA 3.26Å; K32-G36 PolarHBondContact O-N 3.34Å
37Q95.9Very high93.5Very high108 Ų10851.9 Ų51.951%0.50527%0.274SS..  trans-75.5135.2-178.1-175.164.740.900111.1V31 K32 S35 Y39V31-Q37 WeakPolarHBondContact CA-O 3.06Å; K32-Q37 PolarHBondContact N-O 3.43Å; S35-Q37 PolarHBondContact O-N 3.26Å; S35-Q37 WeakPolarHBondContact OG-CB 3.37Å; S35-Q37 PolarHBondContact OG-N 2.89Å; Q37-Y39 HydrophobicContact CB-CE2 3.76Å; Q37-Y39 HydrophobicContact CG-CD2 4.47Å; Q37-Y39 HydrophobicContact CG-CE1 4.3Å; Q37-Y39 HydrophobicContact CG-CE2 3.63Å; Q37-Y39 WeakPolarHBondContact CG-OH 3.42Å; Q37-Y39 VanDerWaalsContact O-CD2 3.29Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.43Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.46Å
38E97.1Very high92.5Very high86 Ų8654.1 Ų54.140%0.40228%0.28SS..EExtended strand (participates in β ladder)trans-89.1146.7179.9-47.9-162.5101.900113.2R29 C30 V31 L91R29-E38 IonicContact CZ-OE1 3.67Å; R29-E38 IonicContact NE-OE1 2.78Å; R29-E38 IonicContact NH1-OE1 2.74Å; R29-E38 PolarHBondContact NH1-OE1 3.06Å; C30-E38 CarbonylContact O-C 3.55Å; C30-E38 WeakPolarHBondContact O-CA 3.23Å; V31-E38 HydrophobicContact CG2-CG 4.11Å; E38-L91 HydrophobicContact CB-CD2 3.79Å
39Y97.4Very high91.4Very high32 Ų3250.9 Ų50.913%0.12527%0.269CS..EExtended strand (participates in β ladder)trans-146.8168-178.1-61.5-83000111.5Y13 C30 K32 Q37 H76 I88 F89Y13-Y39 HydrophobicContact CD1-CD2 4.45Å; Y13-Y39 AromaticContact CE1-CD2 3.8Å; Y13-Y39 HydrophobicContact CE1-CD2 3.8Å; Y13-Y39 HydrophobicContact CE1-CE2 4.12Å; C30-Y39 PolarHBondContact N-O 3.26Å; C30-Y39 PolarHBondContact O-N 3.42Å; K32-Y39 HydrophobicContact CB-CD2 4.33Å; K32-Y39 HydrophobicContact CB-CE2 3.85Å; Q37-Y39 HydrophobicContact CB-CE2 3.76Å; Q37-Y39 HydrophobicContact CG-CD2 4.47Å; Q37-Y39 HydrophobicContact CG-CE1 4.3Å; Q37-Y39 HydrophobicContact CG-CE2 3.63Å; Q37-Y39 WeakPolarHBondContact CG-OH 3.42Å; Q37-Y39 VanDerWaalsContact O-CD2 3.29Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.43Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-H76 AromaticContact CD1-CD2 3.76Å; Y39-H76 HydrophobicContact CE1-CB 4.16Å; Y39-H76 AromaticContact CE1-CD2 3.59Å; Y39-H76 AromaticContact CE1-CE1 3.98Å; Y39-H76 AromaticContact CE1-CG 3.61Å; Y39-H76 AromaticContact CE1-ND1 3.9Å; Y39-H76 AromaticContact CE1-NE2 3.82Å; Y39-I88 HydrophobicContact CD1-CG2 3.95Å; Y39-I88 HydrophobicContact CD2-CG2 4.32Å; Y39-I88 HydrophobicContact CG-CG2 3.69Å; Y39-F89 WeakPolarHBondContact CB-O 3.36Å
40A96.8Very high90.5Very high11 Ų1150.8 Ų50.89%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-103.9119.7166.300000109.8L19 V27 F89 L91L19-A40 HydrophobicContact CD1-CB 4.11Å; V27-A40 HydrophobicContact CG1-CB 4.08Å; A40-F89 PolarHBondContact N-O 2.94Å; A40-F89 PolarHBondContact O-N 3.38Å; A40-L91 HydrophobicContact CB-CD1 4.19Å
41A96.3Very high89.6Confident0 Ų054.7 Ų54.70%031%0.307CS..EExtended strand (participates in β ladder)trans-95.5113.1174.500000109.8F9 L15 V27 R28 C30 I43 I88F9-A41 HydrophobicContact CE2-CB 4.06Å; F9-A41 HydrophobicContact CZ-CB 4.3Å; L15-A41 HydrophobicContact CD2-CB 4.12Å; V27-A41 WeakPolarHBondContact CA-O 3.31Å; R28-A41 PolarHBondContact N-O 3.21Å; R28-A41 PolarHBondContact O-N 3.14Å; C30-A41 HydrophobicContact CB-CB 4.19Å; A41-I43 HydrophobicContact CB-CG1 4.36Å; A41-I43 PolarHBondContact O-N 2.88Å; A41-I88 HydrophobicContact CB-CD1 3.84Å
42K93.8Very high88.6Confident29 Ų2962.1 Ų62.113%0.12633%0.332CS..EExtended strand (participates in β ladder)trans-83.3107166-176.2175.9179.9-179.70107.8V27 I44 E60 L87 F89 D156V27-K42 HydrophobicContact CG2-CB 4.22Å; V27-K42 HydrophobicContact CG2-CG 4.17Å; K42-I44 HydrophobicContact CG-CD1 4.35Å; K42-I44 HydrophobicContact CG-CG1 4.18Å; K42-E60 IonicContact NZ-OE1 3.4Å; K42-E60 PolarHBondContact NZ-OE1 2.7Å; K42-E60 IonicContact NZ-OE2 2.84Å; K42-L87 HydrophobicContact CB-CB 4.31Å; K42-L87 PolarHBondContact N-O 2.86Å; K42-L87 PolarHBondContact O-N 3.26Å; K42-F89 HydrophobicContact CB-CD2 4.32Å; K42-F89 HydrophobicContact CB-CE2 4.09Å; K42-F89 HydrophobicContact CD-CE2 4.32Å; K42-D156 IonicContact NZ-OD1 3.38Å
43I93.4Very high87.8Confident18 Ų1861 Ų619%0.09233%0.329CS..EExtended strand (participates in β ladder)trans-97.4117.2-177-46.9175.1000108L15 S25 V26 R28 A41 H84 Y86L15-I43 HydrophobicContact CD1-CD1 3.78Å; L15-I43 HydrophobicContact CD2-CD1 3.78Å; L15-I43 HydrophobicContact CG-CD1 4.46Å; S25-I43 CarbonylContact C-O 3.6Å; S25-I43 WeakPolarHBondContact CA-O 3.4Å; S25-I43 WeakPolarHBondContact CB-O 3.31Å; V26-I43 HydrophobicContact CG1-CB 3.94Å; V26-I43 HydrophobicContact CG1-CD1 4.13Å; V26-I43 HydrophobicContact CG1-CG1 4.36Å; V26-I43 PolarHBondContact N-O 3.39Å; V26-I43 PolarHBondContact O-N 2.97Å; R28-I43 HydrophobicContact CB-CD1 4.46Å; R28-I43 HydrophobicContact CG-CD1 4.21Å; A41-I43 HydrophobicContact CB-CG1 4.36Å; A41-I43 PolarHBondContact O-N 2.88Å; I43-H84 HydrophobicContact CG2-CB 4.39Å; I43-Y86 HydrophobicContact CB-CD1 4.38Å; I43-Y86 HydrophobicContact CB-CE1 4.35Å; I43-Y86 HydrophobicContact CD1-CE1 4.24Å; I43-Y86 HydrophobicContact CG1-CD1 3.9Å; I43-Y86 HydrophobicContact CG1-CE1 3.98Å; I43-Y86 HydrophobicContact CG2-CD1 4.08Å; I43-Y86 HydrophobicContact CG2-CE1 3.67Å
44I89.8Confident87.3Confident10 Ų1060.4 Ų60.45%0.05132%0.32CS..EExtended strand (participates in β ladder)trans-114.2126.2-174.3-58.2162.4000108.1K42 T46 L49 L57 H84 H85 L87K42-I44 HydrophobicContact CG-CD1 4.35Å; K42-I44 HydrophobicContact CG-CG1 4.18Å; I44-T46 PolarHBondContact O-N 3.08Å; I44-L49 HydrophobicContact CG2-CD1 3.84Å; I44-L49 HydrophobicContact CG2-CD2 4.45Å; I44-L49 HydrophobicContact CG2-CG 4.44Å; I44-L57 HydrophobicContact CD1-CD1 3.35Å; I44-L57 HydrophobicContact CD1-CD2 4.27Å; I44-L57 HydrophobicContact CD1-CG 4.44Å; I44-L57 HydrophobicContact CG2-CD2 4.28Å; I44-H84 CarbonylContact O-C 3.46Å; I44-H84 WeakPolarHBondContact O-CA 3.33Å; I44-H85 HydrophobicContact CB-CB 4.43Å; I44-H85 PolarHBondContact N-O 3.42Å; I44-H85 PolarHBondContact O-N 3.2Å; I44-L87 HydrophobicContact CD1-CD1 4.05Å; I44-L87 HydrophobicContact CD1-CG 4.37Å
45N86.6Confident86.9Confident44 Ų4459.5 Ų59.524%0.23531%0.312CS..EExtended strand (participates in β ladder)trans-81.8101.7177.4-175.2-34.6000109.7F24 K47 K48F24-N45 PolarHBondContact O-N 3.17Å; N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.29Å; N45-K47 WeakPolarHBondContact OD1-CB 3.3Å; N45-K47 PolarHBondContact OD1-N 2.96Å; N45-K47 VanDerWaalsContact OD1-N 3.13Å; N45-K48 PolarHBondContact O-N 3.43Å; N45-K48 PolarHBondContact OD1-N 2.89Å
46T85.2Confident86.4Confident20 Ų2059 Ų5912%0.12330%0.3CS..G310 helixtrans-69.6-26.1-174.8530000112.5I44 K48 L49 H54 A83 H84 H85I44-T46 PolarHBondContact O-N 3.08Å; T46-K48 PolarHBondContact O-N 2.86Å; T46-L49 WeakPolarHBondContact O-CB 3.36Å; T46-L49 PolarHBondContact O-N 3.42Å; T46-L49 VanDerWaalsContact O-N 3.12Å; T46-H54 PolarHBondContact O-CE1 3.47Å; T46-H54 VanDerWaalsContact O-CE1 3.26Å; T46-A83 PolarHBondContact N-O 3.05Å; T46-A83 VanDerWaalsContact N-O 3.09Å; T46-A83 PolarHBondContact OG1-O 3.48Å; T46-H84 PolarHBondContact OG1-N 2.86Å; T46-H85 HydrophobicContact CG2-CB 3.78Å
47K81.6Confident86Confident126 Ų12657.1 Ų57.155%0.54828%0.278SS..G310 helixtrans-64.6-26.1176.7-66.4-178.4173175.40113N45 A83N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.29Å; N45-K47 WeakPolarHBondContact OD1-CB 3.3Å; N45-K47 PolarHBondContact OD1-N 2.96Å; N45-K47 VanDerWaalsContact OD1-N 3.13Å; K47-A83 HydrophobicContact CD-CB 3.88Å; K47-A83 VanDerWaalsContact CE-CB 3.47Å; K47-A83 HydrophobicContact CG-CB 4.22Å
48K71.1Confident85.6Confident88 Ų8856.3 Ų56.338%0.38328%0.277SS..G310 helixtrans-87.7-5.3178.2-66.1-172.1176.5-170.40113.4N45 T46N45-K48 PolarHBondContact O-N 3.43Å; N45-K48 PolarHBondContact OD1-N 2.89Å; T46-K48 PolarHBondContact O-N 2.86Å
49L73.6Confident85.3Confident22 Ų2255.2 Ų55.212%0.11527%0.269CS..  trans-89.7138.3-174.6-62.8-175.2000112.1F24 I44 T46 D53 L57F24-L49 HydrophobicContact CB-CD2 3.91Å; F24-L49 HydrophobicContact CD2-CD2 4.43Å; F24-L49 HydrophobicContact CG-CD2 4.04Å; I44-L49 HydrophobicContact CG2-CD1 3.84Å; I44-L49 HydrophobicContact CG2-CD2 4.45Å; I44-L49 HydrophobicContact CG2-CG 4.44Å; T46-L49 WeakPolarHBondContact O-CB 3.36Å; T46-L49 PolarHBondContact O-N 3.42Å; T46-L49 VanDerWaalsContact O-N 3.12Å; L49-D53 HydrophobicContact CB-CB 4.07Å; L49-D53 HydrophobicContact CD2-CB 3.96Å; L49-D53 HydrophobicContact CG-CB 4.43Å; L49-L57 HydrophobicContact CD1-CD2 4.09Å
50S76.8Confident85Confident35 Ų3554.4 Ų54.425%0.24527%0.267CS..  trans-69.8165.8166.275.30000111.2R52 D53 H54S50-R52 PolarHBondContact O-N 3.05Å; S50-R52 PolarHBondContact OG-N 2.95Å; S50-D53 WeakPolarHBondContact CB-OD2 3.35Å; S50-D53 PolarHBondContact N-OD2 3.15Å; S50-D53 PolarHBondContact O-N 2.72Å; S50-D53 VanDerWaalsContact OG-CG 3.27Å; S50-D53 PolarHBondContact OG-N 2.99Å; S50-D53 PolarHBondContact OG-OD2 2.99Å; S50-H54 PolarHBondContact O-N 3.18Å; S50-H54 PolarHBondContact O-ND1 2.99Å
51A78.7Confident84.7Confident82 Ų8254.2 Ų54.268%0.67827%0.265SS*.Hα-helixtrans-57.5-33172.600000112.4Q55A51-Q55 PolarHBondContact O-N 2.93Å
52R77.2Confident84.5Confident177 Ų17759.9 Ų59.967%0.66829%0.287SS*.Hα-helixtrans-68.5-37175.8-174.8-177.9-179.8-166.10.1111.9S50 Q55 K56S50-R52 PolarHBondContact O-N 3.05Å; S50-R52 PolarHBondContact OG-N 2.95Å; R52-Q55 PolarHBondContact O-N 3.25Å; R52-K56 WeakPolarHBondContact O-CG 3.32Å; R52-K56 PolarHBondContact O-N 3.17Å
53D79.4Confident84.6Confident23 Ų2358.5 Ų58.512%0.12328%0.281CS..Hα-helixtrans-76.7-30.5-179.4-58.6-48.5000112L49 S50 Q55 K56 L57L49-D53 HydrophobicContact CB-CB 4.07Å; L49-D53 HydrophobicContact CD2-CB 3.96Å; L49-D53 HydrophobicContact CG-CB 4.43Å; S50-D53 WeakPolarHBondContact CB-OD2 3.35Å; S50-D53 PolarHBondContact N-OD2 3.15Å; S50-D53 PolarHBondContact O-N 2.72Å; S50-D53 VanDerWaalsContact OG-CG 3.27Å; S50-D53 PolarHBondContact OG-N 2.99Å; S50-D53 PolarHBondContact OG-OD2 2.99Å; D53-Q55 VanDerWaalsContact C-N 3.35Å; D53-Q55 PolarHBondContact O-N 3.12Å; D53-K56 WeakPolarHBondContact O-CB 3.33Å; D53-K56 PolarHBondContact O-N 3.43Å; D53-K56 IonicContact OD1-NZ 2.7Å; D53-K56 PolarHBondContact OD1-NZ 3.31Å; D53-L57 PolarHBondContact O-N 3.2Å
54H82.3Confident84.6Confident72 Ų7257.9 Ų57.933%0.33328%0.278SS..Hα-helixtrans-57.8-46.1166.9-78.386.1000111.7T46 S50 K56 L57 D58T46-H54 PolarHBondContact O-CE1 3.47Å; T46-H54 VanDerWaalsContact O-CE1 3.26Å; S50-H54 PolarHBondContact O-N 3.18Å; S50-H54 PolarHBondContact O-ND1 2.99Å; H54-K56 VanDerWaalsContact C-N 3.29Å; H54-K56 PolarHBondContact O-N 2.89Å; H54-L57 WeakPolarHBondContact O-CB 3.22Å; H54-L57 PolarHBondContact O-N 2.99Å; H54-L57 VanDerWaalsContact O-N 3.14Å; H54-D58 PolarHBondContact O-N 3.39Å
55Q84.3Confident84.8Confident141 Ų14163.5 Ų63.566%0.65930%0.298SS*.Hα-helixtrans-62.6-34.3176.4-70.3179.1-11.400113.2A51 R52 D53 R59A51-Q55 PolarHBondContact O-N 2.93Å; R52-Q55 PolarHBondContact O-N 3.25Å; D53-Q55 VanDerWaalsContact C-N 3.35Å; D53-Q55 PolarHBondContact O-N 3.12Å; Q55-R59 PolarHBondContact O-N 3.19Å
56K83.7Confident85.2Confident66 Ų6665 Ų6529%0.28731%0.306SS..Hα-helixtrans-67.3-41.8174.4-68.1175.7-168158.30111.1R52 D53 H54 R59 E60R52-K56 WeakPolarHBondContact O-CG 3.32Å; R52-K56 PolarHBondContact O-N 3.17Å; D53-K56 WeakPolarHBondContact O-CB 3.33Å; D53-K56 PolarHBondContact O-N 3.43Å; D53-K56 IonicContact OD1-NZ 2.7Å; D53-K56 PolarHBondContact OD1-NZ 3.31Å; H54-K56 VanDerWaalsContact C-N 3.29Å; H54-K56 PolarHBondContact O-N 2.89Å; K56-R59 PolarHBondContact O-N 3.45Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 PolarHBondContact O-N 3.2Å
57L85.7Confident85.8Confident9 Ų964 Ų645%0.04730%0.3CS..Hα-helixtrans-60.7-47.5177.1174.853.7000111.6I44 L49 D53 H54 R59 E60 A61 H85 L87I44-L57 HydrophobicContact CD1-CD1 3.35Å; I44-L57 HydrophobicContact CD1-CD2 4.27Å; I44-L57 HydrophobicContact CD1-CG 4.44Å; I44-L57 HydrophobicContact CG2-CD2 4.28Å; L49-L57 HydrophobicContact CD1-CD2 4.09Å; D53-L57 PolarHBondContact O-N 3.2Å; H54-L57 WeakPolarHBondContact O-CB 3.22Å; H54-L57 PolarHBondContact O-N 2.99Å; H54-L57 VanDerWaalsContact O-N 3.14Å; L57-R59 VanDerWaalsContact C-N 3.26Å; L57-R59 PolarHBondContact O-N 3.46Å; L57-E60 PolarHBondContact O-N 2.95Å; L57-A61 PolarHBondContact O-N 2.8Å; L57-H85 HydrophobicContact CD2-CB 3.87Å; L57-L87 HydrophobicContact CD1-CD1 3.94Å
58D87.6Confident86.5Confident92 Ų9264 Ų6449%0.49230%0.3SS..Hα-helixtrans-60.6-38.1177.3-69.8-25.5000112.1H54 R62H54-D58 PolarHBondContact O-N 3.39Å; D58-R62 WeakPolarHBondContact O-CB 3.47Å; D58-R62 PolarHBondContact O-N 3.07Å
59R90.3Very high87.8Confident62 Ų6261.8 Ų61.823%0.23429%0.291CS..Hα-helixtrans-66.7-46.4174.3-177.517669.5-148.2-4.8111.8Q55 K56 L57 R62 I63 A160Q55-R59 PolarHBondContact O-N 3.19Å; K56-R59 PolarHBondContact O-N 3.45Å; L57-R59 VanDerWaalsContact C-N 3.26Å; L57-R59 PolarHBondContact O-N 3.46Å; R59-R62 PolarHBondContact O-N 3.33Å; R59-I63 HydrophobicContact CG-CD1 3.74Å; R59-I63 HydrophobicContact CG-CG1 4.32Å; R59-I63 WeakPolarHBondContact O-CB 3.48Å; R59-I63 WeakPolarHBondContact O-CG1 3.48Å; R59-I63 PolarHBondContact O-N 3.2Å; R59-A160 PolarHBondContact NE-O 3.29Å
60E90.5Very high88.9Confident16 Ų1665.1 Ų65.18%0.07531%0.314CS..Hα-helixtrans-58.2-49.2177.7-175.5-178.2167.800110.6K42 K56 L57 R62 I63 C64K42-E60 IonicContact NZ-OE1 3.4Å; K42-E60 PolarHBondContact NZ-OE1 2.7Å; K42-E60 IonicContact NZ-OE2 2.84Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 PolarHBondContact O-N 3.2Å; L57-E60 PolarHBondContact O-N 2.95Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 3.47Å; E60-I63 PolarHBondContact O-N 2.78Å; E60-C64 WeakPolarHBondContact O-CB 3.19Å; E60-C64 PolarHBondContact O-N 2.84Å; E60-C64 PolarHBondContact O-SG 2.77Å
61A90.3Very high90Very high7 Ų764 Ų646%0.05831%0.305CS..Hα-helixtrans-60.6-41.9178.400000112.3L57 R65 L75 L87L57-A61 PolarHBondContact O-N 2.8Å; A61-R65 WeakPolarHBondContact O-CB 3.25Å; A61-R65 PolarHBondContact O-N 3.5Å; A61-L75 WeakPolarHBondContact O-CD2 3.23Å; A61-L87 HydrophobicContact CB-CD2 3.86Å
62R93.4Very high90.9Very high118 Ų11860.1 Ų60.145%0.44527%0.273SS..Hα-helixtrans-63.5-49.6176.6179.9176.561.7-103.56.2112D58 R59 E60 R65 L66 E162D58-R62 WeakPolarHBondContact O-CB 3.47Å; D58-R62 PolarHBondContact O-N 3.07Å; R59-R62 PolarHBondContact O-N 3.33Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 3.47Å; R62-R65 PolarHBondContact O-N 3.38Å; R62-L66 PolarHBondContact O-N 3.26Å; R62-L66 VanDerWaalsContact O-N 3.14Å; R62-E162 IonicContact CZ-OE2 3.42Å; R62-E162 VanDerWaalsContact CZ-OE2 3.23Å; R62-E162 IonicContact NE-OE1 2.66Å; R62-E162 PolarHBondContact NE-OE1 3.33Å; R62-E162 IonicContact NE-OE2 2.71Å; R62-E162 PolarHBondContact NE-OE2 3.44Å; R62-E162 IonicContact NH2-OE2 3.4Å; R62-E162 PolarHBondContact NH2-OE2 2.59Å
63I95.3Very high91.8Very high0 Ų052.3 Ų52.30%025%0.245CC..Hα-helixtrans-59.6-50.2178.6-73.7174.2000110.1R59 E60 R65 L66 L67 V131 F157 A160 E162R59-I63 HydrophobicContact CG-CD1 3.74Å; R59-I63 HydrophobicContact CG-CG1 4.32Å; R59-I63 WeakPolarHBondContact O-CB 3.48Å; R59-I63 WeakPolarHBondContact O-CG1 3.48Å; R59-I63 PolarHBondContact O-N 3.2Å; E60-I63 PolarHBondContact O-N 2.78Å; I63-R65 PolarHBondContact O-N 2.62Å; I63-L66 WeakPolarHBondContact O-CB 3.28Å; I63-L66 PolarHBondContact O-N 3.36Å; I63-L67 HydrophobicContact CG2-CD1 3.66Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.89Å; I63-V131 HydrophobicContact CD1-CG1 4.36Å; I63-V131 HydrophobicContact CG1-CG2 4.35Å; I63-V131 HydrophobicContact CG2-CG1 3.74Å; I63-V131 HydrophobicContact CG2-CG2 4.14Å; I63-F157 HydrophobicContact CG2-CB 4.24Å; I63-F157 HydrophobicContact CG2-CD1 3.92Å; I63-F157 HydrophobicContact CG2-CG 4.28Å; I63-A160 HydrophobicContact CD1-CB 3.75Å; I63-A160 HydrophobicContact CG2-CB 4.32Å; I63-E162 HydrophobicContact CD1-CG 4.26Å; I63-E162 HydrophobicContact CG1-CG 4.04Å
64C93.6Very high92.6Very high5 Ų556.2 Ų56.23%0.03426%0.258CS..Hα-helixtrans-63.5-28.2-178.9-69.40000113.1E60 L75 F89E60-C64 WeakPolarHBondContact O-CB 3.19Å; E60-C64 PolarHBondContact O-N 2.84Å; E60-C64 PolarHBondContact O-SG 2.77Å; C64-L75 HydrophobicContact CB-CB 3.73Å; C64-L75 HydrophobicContact CB-CD2 3.9Å; C64-L75 HydrophobicContact CB-CG 4.36Å; C64-F89 HydrophobicContact CB-CE1 4.06Å; C64-F89 HydrophobicContact CB-CZ 4.5Å
65R93.6Very high93.2Very high129 Ų12953.3 Ų53.349%0.48725%0.245SC..Hα-helixtrans-74-31.1173.8-176.4168.7-88.8146.5-8.2112.8A61 R62 I63 L75A61-R65 WeakPolarHBondContact O-CB 3.25Å; A61-R65 PolarHBondContact O-N 3.5Å; R62-R65 PolarHBondContact O-N 3.38Å; I63-R65 PolarHBondContact O-N 2.62Å; R65-L75 HydrophobicContact CB-CD2 4.34Å
66L95.1Very high93.7Very high74 Ų7450 Ų5039%0.38723%0.229SC..Hα-helixtrans-72.1-41.3176.1179.363.7000111.7R62 I63 K68 M129 V131R62-L66 PolarHBondContact O-N 3.26Å; R62-L66 VanDerWaalsContact O-N 3.14Å; I63-L66 WeakPolarHBondContact O-CB 3.28Å; I63-L66 PolarHBondContact O-N 3.36Å; L66-K68 PolarHBondContact O-N 3.12Å; L66-M129 HydrophobicContact CD1-SD 4.42Å; L66-M129 HydrophobicContact CD2-CB 4Å; L66-M129 HydrophobicContact CG-CB 4.24Å; L66-M129 HydrophobicContact CG-CG 4.5Å; L66-V131 HydrophobicContact CD2-CG2 4.24Å
67L97Very high94.1Very high1 Ų148.6 Ų48.61%0.00523%0.225CC..  trans-80.2110.1-172.5-61.1177.1000112.3I63 I72 C126 M129 V131 F157I63-L67 HydrophobicContact CG2-CD1 3.66Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.89Å; L67-I72 HydrophobicContact CB-CD1 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.39Å; L67-I72 HydrophobicContact CD1-CD1 4.47Å; L67-C126 HydrophobicContact CD2-CB 4.48Å; L67-M129 HydrophobicContact CD2-CB 3.93Å; L67-M129 HydrophobicContact CD2-CG 4.1Å; L67-V131 HydrophobicContact CD1-CG1 4.31Å; L67-V131 HydrophobicContact CD2-CB 4.42Å; L67-V131 HydrophobicContact CD2-CG2 4.23Å; L67-F157 HydrophobicContact CD1-CD1 3.66Å; L67-F157 HydrophobicContact CD1-CE1 3.17Å; L67-F157 HydrophobicContact CD1-CE2 4.35Å; L67-F157 HydrophobicContact CD1-CG 4.42Å; L67-F157 HydrophobicContact CD1-CZ 3.58Å
68K97.1Very high94.4Very high125 Ų12549.4 Ų49.454%0.54323%0.231SC..  trans-126.297.3177-63.3174.6-174.2171.50109.6L66 H125L66-K68 PolarHBondContact O-N 3.12Å; K68-H125 PolarHBondContact N-NE2 3.41Å; K68-H125 PolarHBondContact O-CE1 3.46Å
69H98.3Very high94.6Very high42 Ų4245.4 Ų45.419%0.19421%0.21CC..  trans-146.3143.7-178-170.8-93.3000110.2N71 I72 H125H69-N71 PolarHBondContact CE1-OD1 3.21Å; H69-N71 VanDerWaalsContact CE1-OD1 3.23Å; H69-N71 PolarHBondContact ND1-N 2.74Å; H69-N71 VanDerWaalsContact ND1-N 3.1Å; H69-N71 PolarHBondContact O-N 3.3Å; H69-I72 HydrophobicContact CB-CB 4.16Å; H69-I72 HydrophobicContact CB-CD1 3.76Å; H69-I72 HydrophobicContact CB-CG1 3.9Å; H69-I72 PolarHBondContact O-N 3.04Å; H69-H125 HydrophobicContact CB-CB 4.22Å; H69-H125 AromaticContact CD2-CG 3.77Å; H69-H125 AromaticContact CD2-ND1 3.92Å; H69-H125 AromaticContact CG-CG 3.99Å
70P97.6Very high94.6Very high92 Ų9246.1 Ų46.160%0.59722%0.224SC*.THydrogen-bonded Turntrans-55.5-35.8179.319.8-33.3000113.4K153P70-K153 PolarHBondContact O-NZ 3.4Å
71N98.5Very high94.5Very high10 Ų1048.1 Ų48.15%0.05323%0.234CC..THydrogen-bonded Turntrans-9219178.9-54.494.7000114.4H69 Q118 A122 V152 K153 L154H69-N71 PolarHBondContact CE1-OD1 3.21Å; H69-N71 VanDerWaalsContact CE1-OD1 3.23Å; H69-N71 PolarHBondContact ND1-N 2.74Å; H69-N71 VanDerWaalsContact ND1-N 3.1Å; H69-N71 PolarHBondContact O-N 3.3Å; N71-Q118 PolarHBondContact ND2-OE1 3.1Å; N71-Q118 VanDerWaalsContact ND2-OE1 3.11Å; N71-A122 HydrophobicContact CB-CB 3.98Å; N71-A122 WeakPolarHBondContact O-CB 3.42Å; N71-V152 WeakPolarHBondContact CA-O 3.45Å; N71-V152 VanDerWaalsContact CB-O 3.26Å; N71-V152 WeakPolarHBondContact CB-O 3.5Å; N71-V152 PolarHBondContact ND2-O 3.1Å; N71-K153 CarbonylContact O-C 3.54Å; N71-K153 WeakPolarHBondContact O-CA 3.3Å; N71-L154 PolarHBondContact O-N 3.35Å
72I98.4Very high94.2Very high2 Ų256.4 Ų56.41%0.0127%0.271CS..BIsolated β-bridgetrans-122141.6171.5-63.3176.2000108.4L67 H69 R74 A122 K153 L154 F157L67-I72 HydrophobicContact CB-CD1 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.39Å; L67-I72 HydrophobicContact CD1-CD1 4.47Å; H69-I72 HydrophobicContact CB-CB 4.16Å; H69-I72 HydrophobicContact CB-CD1 3.76Å; H69-I72 HydrophobicContact CB-CG1 3.9Å; H69-I72 PolarHBondContact O-N 3.04Å; I72-R74 PolarHBondContact O-N 3.4Å; I72-A122 HydrophobicContact CD1-CB 4.38Å; I72-A122 HydrophobicContact CG1-CB 3.81Å; I72-K153 PolarHBondContact O-NZ 3.18Å; I72-L154 HydrophobicContact CG1-CB 4.44Å; I72-F157 HydrophobicContact CD1-CZ 4.43Å; I72-F157 HydrophobicContact CG2-CE2 3.74Å; I72-F157 HydrophobicContact CG2-CZ 3.78Å
73V96.8Very high93.8Very high13 Ų1351.7 Ų51.78%0.07926%0.258CS..  trans-70.2110.3170.9178.70000108.5F89 D90 V92 K153 L154 A155V73-F89 HydrophobicContact CG1-CB 3.82Å; V73-F89 HydrophobicContact CG1-CD1 4Å; V73-F89 HydrophobicContact CG1-CG 4.24Å; V73-D90 HydrophobicContact CG1-CB 4.14Å; V73-V92 HydrophobicContact CG2-CG1 4.15Å; V73-K153 HydrophobicContact CG2-CB 3.9Å; V73-K153 HydrophobicContact CG2-CD 4.43Å; V73-L154 PolarHBondContact N-O 3.32Å; V73-A155 HydrophobicContact CB-CB 4.49Å; V73-A155 HydrophobicContact CG2-CB 3.85Å
74R95.1Very high93.6Very high105 Ų10554.7 Ų54.740%0.39627%0.271SS..  trans-78.9138.7-172.9178.6175.3173.4165.5-5.3111.9I72 F89 D90I72-R74 PolarHBondContact O-N 3.4Å; R74-F89 CarbonylContact O-C 3.56Å; R74-F89 VanDerWaalsContact O-CA 3.22Å; R74-F89 WeakPolarHBondContact O-CA 3.3Å; R74-D90 WeakPolarHBondContact CB-OD2 3.44Å; R74-D90 PolarHBondContact N-OD2 3.11Å; R74-D90 PolarHBondContact O-N 3.27Å
75L95.6Very high93.5Very high10 Ų1055 Ų555%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-83.1124.2164.4-174.475.5000110.2A61 C64 R65 D77 L87 F89A61-L75 WeakPolarHBondContact O-CD2 3.23Å; C64-L75 HydrophobicContact CB-CB 3.73Å; C64-L75 HydrophobicContact CB-CD2 3.9Å; C64-L75 HydrophobicContact CB-CG 4.36Å; R65-L75 HydrophobicContact CB-CD2 4.34Å; L75-D77 VanDerWaalsContact CD1-O 3.27Å; L75-D77 WeakPolarHBondContact CD1-O 3.1Å; L75-L87 HydrophobicContact CD1-CB 3.75Å; L75-L87 HydrophobicContact CD1-CD2 4.17Å; L75-L87 HydrophobicContact CD1-CG 4.49Å; L75-L87 HydrophobicContact CD2-CD2 4.48Å; L75-F89 HydrophobicContact CB-CD1 4.09Å; L75-F89 HydrophobicContact CB-CE1 3.89Å; L75-F89 HydrophobicContact CD1-CD1 4.03Å; L75-F89 HydrophobicContact CD1-CD2 4.25Å; L75-F89 HydrophobicContact CD1-CE1 3.74Å; L75-F89 HydrophobicContact CD1-CE2 3.99Å; L75-F89 HydrophobicContact CD1-CG 4.29Å; L75-F89 HydrophobicContact CD1-CZ 3.72Å; L75-F89 HydrophobicContact CG-CE1 4.42Å
76H93.9Very high93.5Very high71 Ų7149.9 Ų49.933%0.32925%0.253SS..EExtended strand (participates in β ladder)trans-93.8-42.5176.1-69.4-88.8000111.8Y39 I88 D90Y39-H76 AromaticContact CD1-CD2 3.76Å; Y39-H76 HydrophobicContact CE1-CB 4.16Å; Y39-H76 AromaticContact CE1-CD2 3.59Å; Y39-H76 AromaticContact CE1-CE1 3.98Å; Y39-H76 AromaticContact CE1-CG 3.61Å; Y39-H76 AromaticContact CE1-ND1 3.9Å; Y39-H76 AromaticContact CE1-NE2 3.82Å; H76-I88 PolarHBondContact N-O 2.76Å; H76-D90 IonicContact CD2-OD1 2.66Å; H76-D90 IonicContact CE1-OD1 3.59Å; H76-D90 IonicContact NE2-OD1 3.69Å; H76-D90 PolarHBondContact NE2-OD1 3.33Å
77D91.9Very high93.4Very high37 Ų3746.4 Ų46.420%0.19824%0.235CC..EExtended strand (participates in β ladder)trans-148.5159.1-175.1-152.1-3.5000112.8L75 I88L75-D77 VanDerWaalsContact CD1-O 3.27Å; L75-D77 WeakPolarHBondContact CD1-O 3.1Å; D77-I88 HydrophobicContact CB-CB 3.99Å; D77-I88 HydrophobicContact CB-CG1 3.9Å; D77-I88 PolarHBondContact N-O 3.22Å; D77-I88 PolarHBondContact O-N 3.15Å
78S92.3Very high93.4Very high26 Ų2646.3 Ų46.318%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-142.7105.9178.6165.10000109.1H85 Y86S78-H85 PolarHBondContact OG-NE2 3.3Å; S78-Y86 CarbonylContact C-O 3.26Å; S78-Y86 WeakPolarHBondContact CA-O 3.48Å
79I92.3Very high93.3Very high8 Ų841.5 Ų41.54%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-112.7123.5-174.7-56169.7000108.7T7 F9 Y13 E81 Y86T7-I79 WeakPolarHBondContact O-CG2 3.45Å; F9-I79 HydrophobicContact CB-CD1 4.31Å; F9-I79 HydrophobicContact CB-CG2 4.31Å; F9-I79 HydrophobicContact CD2-CD1 4.3Å; Y13-I79 HydrophobicContact CD2-CD1 4.14Å; Y13-I79 HydrophobicContact CE2-CD1 3.99Å; I79-E81 HydrophobicContact CG2-CG 4.38Å; I79-Y86 PolarHBondContact N-O 3.17Å; I79-Y86 PolarHBondContact O-N 3.38Å
80S89.6Confident93.2Very high78 Ų7841.3 Ų41.355%0.54521%0.214SC..EExtended strand (participates in β ladder)trans-106.2124177.3-57.90000109.9H85S80-H85 PolarHBondContact OG-CE1 3.44Å; S80-H85 PolarHBondContact OG-ND1 3.39Å; S80-H85 PolarHBondContact OG-NE2 3.05Å
81E90.1Very high93.1Very high58 Ų5838.6 Ų38.627%0.27119%0.194SC..  trans-118.1173.2173.7-62.8-172.1169.300110.5R8 F9 I79 A83 H84 Y86R8-E81 WeakPolarHBondContact CA-OE1 3.4Å; R8-E81 WeakPolarHBondContact CB-OE1 3.38Å; F9-E81 PolarHBondContact N-OE1 3.44Å; I79-E81 HydrophobicContact CG2-CG 4.38Å; E81-A83 VanDerWaalsContact C-N 3.26Å; E81-A83 PolarHBondContact O-N 3.03Å; E81-A83 VanDerWaalsContact O-N 3.13Å; E81-H84 CarbonylContact C-O 3.58Å; E81-H84 WeakPolarHBondContact CA-O 3.18Å; E81-H84 PolarHBondContact N-O 3.47Å; E81-H84 VanDerWaalsContact O-O 3.12Å; E81-Y86 HydrophobicContact CB-CE2 4.35Å; E81-Y86 HydrophobicContact CG-CD2 4.44Å; E81-Y86 HydrophobicContact CG-CE2 4Å
82E83Confident92.9Very high181 Ų18139.6 Ų39.685%0.84620%0.201SC*.SBendtrans-56-35.1-171.6-168.3-174.9169.400114.1
83A85.5Confident92.7Very high19 Ų1943.2 Ų43.216%0.15722%0.223CC..SBendtrans-120.7-8.4-176.400000114.4T46 K47 E81T46-A83 PolarHBondContact N-O 3.05Å; T46-A83 VanDerWaalsContact N-O 3.09Å; T46-A83 PolarHBondContact OG1-O 3.48Å; K47-A83 HydrophobicContact CD-CB 3.88Å; K47-A83 VanDerWaalsContact CE-CB 3.47Å; K47-A83 HydrophobicContact CG-CB 4.22Å; E81-A83 VanDerWaalsContact C-N 3.26Å; E81-A83 PolarHBondContact O-N 3.03Å; E81-A83 VanDerWaalsContact O-N 3.13Å
84H90Very high92.4Very high62 Ų6243.2 Ų43.229%0.28723%0.225SC..EExtended strand (participates in β ladder)trans-142.9148.1-172.1-61.199.4000111.5I43 I44 T46 E81 Y86I43-H84 HydrophobicContact CG2-CB 4.39Å; I44-H84 CarbonylContact O-C 3.46Å; I44-H84 WeakPolarHBondContact O-CA 3.33Å; T46-H84 PolarHBondContact OG1-N 2.86Å; E81-H84 CarbonylContact C-O 3.58Å; E81-H84 WeakPolarHBondContact CA-O 3.18Å; E81-H84 PolarHBondContact N-O 3.47Å; E81-H84 VanDerWaalsContact O-O 3.12Å; H84-Y86 HydrophobicContact CB-CD2 4.42Å; H84-Y86 HydrophobicContact CB-CE2 3.63Å
85H91.3Very high92.3Very high12 Ų1240 Ų406%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-119.2129.9168.4-159.6134.6000108.5I44 T46 L57 S78 S80I44-H85 HydrophobicContact CB-CB 4.43Å; I44-H85 PolarHBondContact N-O 3.42Å; I44-H85 PolarHBondContact O-N 3.2Å; T46-H85 HydrophobicContact CG2-CB 3.78Å; L57-H85 HydrophobicContact CD2-CB 3.87Å; S78-H85 PolarHBondContact OG-NE2 3.3Å; S80-H85 PolarHBondContact OG-CE1 3.44Å; S80-H85 PolarHBondContact OG-ND1 3.39Å; S80-H85 PolarHBondContact OG-NE2 3.05Å
86Y93.8Very high92.2Very high22 Ų2241.7 Ų41.79%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-109.4119.6-178.5-57-97000109.4F9 I43 S78 I79 E81 H84F9-Y86 HydrophobicContact CB-CD1 4.17Å; F9-Y86 HydrophobicContact CB-CD2 3.78Å; F9-Y86 HydrophobicContact CB-CE1 4.24Å; F9-Y86 HydrophobicContact CB-CE2 3.87Å; F9-Y86 HydrophobicContact CB-CG 3.96Å; F9-Y86 HydrophobicContact CD1-CD1 4.09Å; F9-Y86 AromaticContact CD1-CE1 3.88Å; F9-Y86 HydrophobicContact CD1-CE1 3.88Å; F9-Y86 AromaticContact CD2-CD1 3.44Å; F9-Y86 HydrophobicContact CD2-CD1 3.44Å; F9-Y86 VanDerWaalsContact CD2-CD1 3.44Å; F9-Y86 HydrophobicContact CD2-CD2 4.3Å; F9-Y86 HydrophobicContact CD2-CE1 4.08Å; F9-Y86 AromaticContact CD2-CG 3.58Å; F9-Y86 HydrophobicContact CD2-CG 3.58Å; F9-Y86 HydrophobicContact CE1-CD1 4.47Å; F9-Y86 HydrophobicContact CE1-CE1 4.34Å; F9-Y86 AromaticContact CE2-CD1 3.82Å; F9-Y86 HydrophobicContact CE2-CD1 3.82Å; F9-Y86 HydrophobicContact CE2-CE1 4.47Å; F9-Y86 HydrophobicContact CE2-CG 4.32Å; F9-Y86 AromaticContact CG-CD1 3.59Å; F9-Y86 HydrophobicContact CG-CD1 3.59Å; F9-Y86 HydrophobicContact CG-CD2 4.13Å; F9-Y86 AromaticContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE2 4.29Å; F9-Y86 AromaticContact CG-CG 3.8Å; F9-Y86 HydrophobicContact CG-CG 3.8Å; F9-Y86 HydrophobicContact CZ-CD1 4.32Å; I43-Y86 HydrophobicContact CB-CD1 4.38Å; I43-Y86 HydrophobicContact CB-CE1 4.35Å; I43-Y86 HydrophobicContact CD1-CE1 4.24Å; I43-Y86 HydrophobicContact CG1-CD1 3.9Å; I43-Y86 HydrophobicContact CG1-CE1 3.98Å; I43-Y86 HydrophobicContact CG2-CD1 4.08Å; I43-Y86 HydrophobicContact CG2-CE1 3.67Å; S78-Y86 CarbonylContact C-O 3.26Å; S78-Y86 WeakPolarHBondContact CA-O 3.48Å; I79-Y86 PolarHBondContact N-O 3.17Å; I79-Y86 PolarHBondContact O-N 3.38Å; E81-Y86 HydrophobicContact CB-CE2 4.35Å; E81-Y86 HydrophobicContact CG-CD2 4.44Å; E81-Y86 HydrophobicContact CG-CE2 4Å; H84-Y86 HydrophobicContact CB-CD2 4.42Å; H84-Y86 HydrophobicContact CB-CE2 3.63Å
87L93.8Very high92.2Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans-106.1118.2169.7-62179.3000108.7K42 I44 L57 A61 L75 F89K42-L87 HydrophobicContact CB-CB 4.31Å; K42-L87 PolarHBondContact N-O 2.86Å; K42-L87 PolarHBondContact O-N 3.26Å; I44-L87 HydrophobicContact CD1-CD1 4.05Å; I44-L87 HydrophobicContact CD1-CG 4.37Å; L57-L87 HydrophobicContact CD1-CD1 3.94Å; A61-L87 HydrophobicContact CB-CD2 3.86Å; L75-L87 HydrophobicContact CD1-CB 3.75Å; L75-L87 HydrophobicContact CD1-CD2 4.17Å; L75-L87 HydrophobicContact CD1-CG 4.49Å; L75-L87 HydrophobicContact CD2-CD2 4.48Å; L87-F89 HydrophobicContact CB-CD2 4.13Å; L87-F89 HydrophobicContact CB-CE2 3.41Å; L87-F89 VanDerWaalsContact CB-CE2 3.41Å; L87-F89 HydrophobicContact CB-CZ 4.04Å; L87-F89 HydrophobicContact CD1-CE2 4.22Å; L87-F89 HydrophobicContact CD1-CZ 4.26Å; L87-F89 HydrophobicContact CG-CE2 4.47Å; L87-F89 WeakPolarHBondContact O-CD2 3.48Å
88I96.1Very high92.2Very high0 Ų036.6 Ų36.60%021%0.208CC..EExtended strand (participates in β ladder)trans-99.8109.8-172.7-48.3-53.5000109.5F9 Y13 Y39 A41 H76 D77F9-I88 HydrophobicContact CD2-CD1 3.96Å; F9-I88 HydrophobicContact CE2-CD1 3.58Å; Y13-I88 HydrophobicContact CE1-CG2 3.87Å; Y13-I88 HydrophobicContact CE2-CG1 4.45Å; Y39-I88 HydrophobicContact CD1-CG2 3.95Å; Y39-I88 HydrophobicContact CD2-CG2 4.32Å; Y39-I88 HydrophobicContact CG-CG2 3.69Å; A41-I88 HydrophobicContact CB-CD1 3.84Å; H76-I88 PolarHBondContact N-O 2.76Å; D77-I88 HydrophobicContact CB-CB 3.99Å; D77-I88 HydrophobicContact CB-CG1 3.9Å; D77-I88 PolarHBondContact N-O 3.22Å; D77-I88 PolarHBondContact O-N 3.15Å
89F96.4Very high92Very high24 Ų2438.6 Ų38.611%0.10521%0.214CC..EExtended strand (participates in β ladder)trans-108.8163.7-175.5-69.5-82.7000112.8Y39 A40 K42 C64 V73 R74 L75 L87 L91Y39-F89 WeakPolarHBondContact CB-O 3.36Å; A40-F89 PolarHBondContact N-O 2.94Å; A40-F89 PolarHBondContact O-N 3.38Å; K42-F89 HydrophobicContact CB-CD2 4.32Å; K42-F89 HydrophobicContact CB-CE2 4.09Å; K42-F89 HydrophobicContact CD-CE2 4.32Å; C64-F89 HydrophobicContact CB-CE1 4.06Å; C64-F89 HydrophobicContact CB-CZ 4.5Å; V73-F89 HydrophobicContact CG1-CB 3.82Å; V73-F89 HydrophobicContact CG1-CD1 4Å; V73-F89 HydrophobicContact CG1-CG 4.24Å; R74-F89 CarbonylContact O-C 3.56Å; R74-F89 VanDerWaalsContact O-CA 3.22Å; R74-F89 WeakPolarHBondContact O-CA 3.3Å; L75-F89 HydrophobicContact CB-CD1 4.09Å; L75-F89 HydrophobicContact CB-CE1 3.89Å; L75-F89 HydrophobicContact CD1-CD1 4.03Å; L75-F89 HydrophobicContact CD1-CD2 4.25Å; L75-F89 HydrophobicContact CD1-CE1 3.74Å; L75-F89 HydrophobicContact CD1-CE2 3.99Å; L75-F89 HydrophobicContact CD1-CG 4.29Å; L75-F89 HydrophobicContact CD1-CZ 3.72Å; L75-F89 HydrophobicContact CG-CE1 4.42Å; L87-F89 HydrophobicContact CB-CD2 4.13Å; L87-F89 HydrophobicContact CB-CE2 3.41Å; L87-F89 VanDerWaalsContact CB-CE2 3.41Å; L87-F89 HydrophobicContact CB-CZ 4.04Å; L87-F89 HydrophobicContact CD1-CE2 4.22Å; L87-F89 HydrophobicContact CD1-CZ 4.26Å; L87-F89 HydrophobicContact CG-CE2 4.47Å; L87-F89 WeakPolarHBondContact O-CD2 3.48Å; F89-L91 PolarHBondContact O-N 2.88Å
90D95.3Very high92Very high38 Ų3840.3 Ų40.320%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-46.5130.5161.5-72.5-25.2000109.9V73 R74 H76 V92 K153V73-D90 HydrophobicContact CG1-CB 4.14Å; R74-D90 WeakPolarHBondContact CB-OD2 3.44Å; R74-D90 PolarHBondContact N-OD2 3.11Å; R74-D90 PolarHBondContact O-N 3.27Å; H76-D90 IonicContact CD2-OD1 2.66Å; H76-D90 IonicContact CE1-OD1 3.59Å; H76-D90 IonicContact NE2-OD1 3.69Å; H76-D90 PolarHBondContact NE2-OD1 3.33Å; D90-V92 PolarHBondContact O-N 3.3Å; D90-K153 IonicContact OD2-NZ 3.65Å; D90-K153 PolarHBondContact OD2-NZ 3.39Å
91L95.7Very high92.1Very high35 Ų3536.6 Ų36.618%0.18320%0.198CC..  trans-75.7119167-177.962.7000109.1L19 R29 E38 A40 F89 T93L19-L91 HydrophobicContact CD1-CD1 3.48Å; L19-L91 VanDerWaalsContact CD1-CD1 3.48Å; R29-L91 HydrophobicContact CG-CD1 4.36Å; R29-L91 HydrophobicContact CG-CD2 3.93Å; E38-L91 HydrophobicContact CB-CD2 3.79Å; A40-L91 HydrophobicContact CB-CD1 4.19Å; F89-L91 PolarHBondContact O-N 2.88Å; L91-T93 HydrophobicContact CD2-CG2 4.2Å; L91-T93 HydrophobicContact CG-CG2 3.97Å
92V94.3Very high92Very high31 Ų3135.5 Ų35.519%0.18820%0.195CC..  trans-109.3129.7172.7-64.30000109.6V73 D90 L142 K153V73-V92 HydrophobicContact CG2-CG1 4.15Å; D90-V92 PolarHBondContact O-N 3.3Å; V92-L142 HydrophobicContact CG2-CB 4.08Å; V92-L142 HydrophobicContact CG2-CD1 3.6Å; V92-L142 HydrophobicContact CG2-CG 4.49Å; V92-K153 HydrophobicContact CG1-CD 3.57Å
93T93.9Very high92.2Very high78 Ų7830.9 Ų30.948%0.47919%0.188SC..  trans-118.7-1.3-170.258.80000113.9L91 G95 A144L91-T93 HydrophobicContact CD2-CG2 4.2Å; L91-T93 HydrophobicContact CG-CG2 3.97Å; T93-G95 VanDerWaalsContact C-N 3.33Å; T93-A144 PolarHBondContact N-O 3.03Å; T93-A144 VanDerWaalsContact N-O 3.14Å
94G91.9Very high92.3Very high12 Ų1233.5 Ų33.512%0.12419%0.194CC..SBendtrans-78.8-13.8-18000000114.6L143 S145G94-L143 VanDerWaalsContact CA-O 3.3Å; G94-L143 WeakPolarHBondContact CA-O 3.23Å; G94-L143 PolarHBondContact N-O 3.41Å; G94-S145 VanDerWaalsContact CA-O 3.3Å; G94-S145 WeakPolarHBondContact CA-O 3.45Å
95G91.8Very high92.1Very high39 Ų3939.4 Ų39.440%0.40222%0.222SC..EExtended strand (participates in β ladder)trans77.1-162.5-17600000112.8T93 L142 L143T93-G95 VanDerWaalsContact C-N 3.33Å; G95-L142 CarbonylContact O-C 3.47Å; G95-L142 VanDerWaalsContact O-CA 3.29Å; G95-L142 WeakPolarHBondContact O-CA 3.23Å; G95-L143 PolarHBondContact O-N 2.88Å
96E92.7Very high92.1Very high45 Ų4544 Ų4421%0.2124%0.239CC..EExtended strand (participates in β ladder)trans-75.6134.6179.5-64.6174.9-123.900111F98 E99 D100 L142 R297E96-F98 PolarHBondContact O-N 3.23Å; E96-E99 HydrophobicContact CB-CB 4.48Å; E96-E99 HydrophobicContact CB-CG 3.95Å; E96-E99 WeakPolarHBondContact O-CB 3.45Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-D100 PolarHBondContact O-N 3.26Å; E96-L142 HydrophobicContact CG-CD2 4.09Å; E96-R297 IonicContact OE2-CZ 3.71Å; E96-R297 IonicContact OE2-NH1 3.04Å; E96-R297 PolarHBondContact OE2-NH1 3.22Å; E96-R297 VanDerWaalsContact OE2-NH1 3.14Å; E96-R297 IonicContact OE2-NH2 2.76Å; E96-R297 PolarHBondContact OE2-NH2 2.65Å
97L94.3Very high92.1Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-51.5-43.3178.8168.963000112.2E99 D100 I101 C115 I119 L141 L143 V152L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 3.1Å; L97-D100 PolarHBondContact O-N 3.45Å; L97-I101 HydrophobicContact CD1-CD1 4.03Å; L97-I101 HydrophobicContact CD1-CG1 4.2Å; L97-I101 HydrophobicContact CG-CD1 3.97Å; L97-I101 WeakPolarHBondContact O-CG1 3.48Å; L97-I101 PolarHBondContact O-N 2.83Å; L97-C115 HydrophobicContact CD2-CB 4.09Å; L97-I119 HydrophobicContact CD2-CD1 4.45Å; L97-L141 HydrophobicContact CB-CB 4.23Å; L97-L141 WeakPolarHBondContact CB-O 3.31Å; L97-L141 HydrophobicContact CD2-CB 4.42Å; L97-L141 PolarHBondContact N-O 3.31Å; L97-L143 HydrophobicContact CD1-CD2 4.06Å; L97-L143 HydrophobicContact CD1-CG 4.49Å; L97-V152 HydrophobicContact CD1-CG2 4.09Å; L97-V152 HydrophobicContact CD2-CG1 4.29Å; L97-V152 HydrophobicContact CD2-CG2 4.16Å
98F92.4Very high92.3Very high0 Ų043.1 Ų43.10%024%0.236CC..Hα-helixtrans-67.1-27.9-177.1-80-97.2000113.1E96 V102 P138 L141 I202 I205 L206 L290 N294E96-F98 PolarHBondContact O-N 3.23Å; F98-V102 WeakPolarHBondContact O-CG2 3.26Å; F98-P138 HydrophobicContact CD2-CB 3.45Å; F98-P138 VanDerWaalsContact CD2-CB 3.45Å; F98-P138 HydrophobicContact CD2-CG 3.99Å; F98-P138 HydrophobicContact CE1-CG 4.3Å; F98-P138 HydrophobicContact CE2-CB 3.65Å; F98-P138 HydrophobicContact CE2-CG 3.69Å; F98-P138 HydrophobicContact CG-CB 3.92Å; F98-P138 HydrophobicContact CG-CG 4.39Å; F98-P138 HydrophobicContact CZ-CB 4.27Å; F98-P138 HydrophobicContact CZ-CG 3.86Å; F98-L141 HydrophobicContact CE2-CD1 4.04Å; F98-I202 HydrophobicContact CE2-CG2 4.48Å; F98-I202 HydrophobicContact CZ-CG2 4.23Å; F98-I205 HydrophobicContact CD1-CG2 4.46Å; F98-I205 HydrophobicContact CE1-CB 4.22Å; F98-I205 HydrophobicContact CE1-CG2 3.64Å; F98-I205 HydrophobicContact CZ-CG2 4.43Å; F98-L206 HydrophobicContact CE1-CD2 4.03Å; F98-L206 HydrophobicContact CE1-CG 4.49Å; F98-L206 HydrophobicContact CE2-CD2 4.3Å; F98-L206 HydrophobicContact CZ-CD2 3.8Å; F98-L206 HydrophobicContact CZ-CG 4.09Å; F98-L290 HydrophobicContact CD1-CD1 3.42Å; F98-L290 VanDerWaalsContact CD1-CD1 3.42Å; F98-L290 HydrophobicContact CD1-CD2 3.9Å; F98-L290 HydrophobicContact CD1-CG 4.02Å; F98-L290 HydrophobicContact CE1-CD1 3.75Å; F98-N294 VanDerWaalsContact C-ND2 3.34Å; F98-N294 WeakPolarHBondContact CB-OD1 3.4Å; F98-N294 PolarHBondContact O-ND2 2.81Å
99E89.3Confident92.4Very high68 Ų6843.1 Ų43.132%0.31824%0.236SC..Hα-helixtrans-76-39.6175.4-61.5-72.613400110.8E96 L97 V102 A103 N294 K298E96-E99 HydrophobicContact CB-CB 4.48Å; E96-E99 HydrophobicContact CB-CG 3.95Å; E96-E99 WeakPolarHBondContact O-CB 3.45Å; E96-E99 PolarHBondContact O-N 3.39Å; L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 3.1Å; E99-V102 PolarHBondContact O-N 3.49Å; E99-A103 PolarHBondContact O-N 3.19Å; E99-N294 VanDerWaalsContact OE1-CB 3.22Å; E99-N294 WeakPolarHBondContact OE1-CB 3.48Å; E99-N294 VanDerWaalsContact OE1-CG 3.25Å; E99-N294 PolarHBondContact OE1-ND2 2.91Å; E99-K298 VanDerWaalsContact OE1-CE 3.3Å; E99-K298 WeakPolarHBondContact OE1-CE 3.44Å; E99-K298 IonicContact OE1-NZ 3.03Å; E99-K298 PolarHBondContact OE1-NZ 3.42Å; E99-K298 IonicContact OE2-NZ 2.72Å; E99-K298 PolarHBondContact OE2-NZ 3.49Å
100D92Very high92.5Very high45 Ų4542.8 Ų42.824%0.24124%0.238CC..Hα-helixtrans-62.9-42.7175.8179.579.9000111.6E96 L97 V102 A103 R104 L143E96-D100 PolarHBondContact O-N 3.26Å; L97-D100 PolarHBondContact O-N 3.45Å; D100-V102 PolarHBondContact O-N 3.23Å; D100-A103 WeakPolarHBondContact O-CA 3.38Å; D100-A103 WeakPolarHBondContact O-CB 3.45Å; D100-A103 PolarHBondContact O-N 3.01Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 2.8Å; D100-R104 IonicContact OD2-CZ 3.92Å; D100-R104 IonicContact OD2-NE 3.75Å; D100-R104 PolarHBondContact OD2-NE 3.46Å; D100-R104 IonicContact OD2-NH2 3.23Å; D100-R104 PolarHBondContact OD2-NH2 2.86Å; D100-L143 HydrophobicContact CB-CD1 3.29Å
101I90.4Very high92.5Very high0 Ų043 Ų430%024%0.239CC..Hα-helixtrans-55.4-42.4175.7-69.3166.3000111.2L97 A103 R104 Y107 L206 L290L97-I101 HydrophobicContact CD1-CD1 4.03Å; L97-I101 HydrophobicContact CD1-CG1 4.2Å; L97-I101 HydrophobicContact CG-CD1 3.97Å; L97-I101 WeakPolarHBondContact O-CG1 3.48Å; L97-I101 PolarHBondContact O-N 2.83Å; I101-A103 PolarHBondContact O-N 3.45Å; I101-R104 PolarHBondContact O-N 3.47Å; I101-Y107 HydrophobicContact CB-CE2 4.37Å; I101-Y107 HydrophobicContact CD1-CE2 3.95Å; I101-Y107 HydrophobicContact CG1-CD2 4.32Å; I101-Y107 HydrophobicContact CG1-CE2 3.81Å; I101-Y107 HydrophobicContact CG2-CD1 3.93Å; I101-Y107 HydrophobicContact CG2-CD2 3.7Å; I101-Y107 HydrophobicContact CG2-CE1 3.89Å; I101-Y107 HydrophobicContact CG2-CE2 3.66Å; I101-Y107 HydrophobicContact CG2-CG 3.82Å; I101-L206 HydrophobicContact CD1-CD2 3.5Å; I101-L206 VanDerWaalsContact CD1-CD2 3.5Å; I101-L290 HydrophobicContact CB-CD2 3.88Å; I101-L290 HydrophobicContact CD1-CD2 4.45Å; I101-L290 HydrophobicContact CG2-CD2 3.53Å
102V88.3Confident92.6Very high34 Ų3441.3 Ų41.321%0.20623%0.23CC..Hα-helixtrans-67-25.6179.1174.50000112.5F98 E99 D100 L290 K291F98-V102 WeakPolarHBondContact O-CG2 3.26Å; E99-V102 PolarHBondContact O-N 3.49Å; D100-V102 PolarHBondContact O-N 3.23Å; V102-L290 HydrophobicContact CG2-CB 3.96Å; V102-L290 HydrophobicContact CG2-CD2 4.02Å; V102-L290 HydrophobicContact CG2-CG 4.01Å; V102-K291 HydrophobicContact CG1-CB 3.72Å; V102-K291 HydrophobicContact CG1-CD 4.07Å; V102-K291 HydrophobicContact CG1-CG 3.85Å; V102-K291 HydrophobicContact CG2-CB 4.27Å
103A87.6Confident92.8Very high85 Ų8539.9 Ų39.970%0.70222%0.221SC*.Hα-helixtrans-87-6.9178.800000113.7E99 D100 I101E99-A103 PolarHBondContact O-N 3.19Å; D100-A103 WeakPolarHBondContact O-CA 3.38Å; D100-A103 WeakPolarHBondContact O-CB 3.45Å; D100-A103 PolarHBondContact O-N 3.01Å; I101-A103 PolarHBondContact O-N 3.45Å
104R87.1Confident93Very high73 Ų7339.7 Ų39.728%0.27522%0.215SC..  trans-79136.7179.6-68173.7-169.8-164.75.1111D100 I101 Y106D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 2.8Å; D100-R104 IonicContact OD2-CZ 3.92Å; D100-R104 IonicContact OD2-NE 3.75Å; D100-R104 PolarHBondContact OD2-NE 3.46Å; D100-R104 IonicContact OD2-NH2 3.23Å; D100-R104 PolarHBondContact OD2-NH2 2.86Å; I101-R104 PolarHBondContact O-N 3.47Å; R104-Y106 WeakPolarHBondContact CB-O 3.47Å; R104-Y106 PolarHBondContact O-N 3.43Å
105E86.5Confident93.3Very high187 Ų18739.2 Ų39.287%0.87421%0.21SC*.SBendtrans-66.8-28.4169.6-173.6179.8-170.600111.9H282E105-H282 PolarHBondContact O-CE1 3.27Å; E105-H282 PolarHBondContact O-NE2 3.13Å
106Y90.4Very high93.6Very high108 Ų10837.4 Ų37.442%0.42419%0.191SC..  trans-135.2131.3-178.9-177.8-83.6000110.9R104 C280 H282R104-Y106 WeakPolarHBondContact CB-O 3.47Å; R104-Y106 PolarHBondContact O-N 3.43Å; Y106-C280 PolarHBondContact OH-O 2.82Å; Y106-H282 HydrophobicContact CD2-CB 3.69Å; Y106-H282 AromaticContact CD2-CG 3.9Å; Y106-H282 HydrophobicContact CE2-CB 3.59Å
107Y95Very high93.9Very high1 Ų137.8 Ų37.80%0.00419%0.192CC..  trans-145.7132.9176.8-173.1-112.1000110.7I101 D111 A112 L206 H282 R283 T286 V287I101-Y107 HydrophobicContact CB-CE2 4.37Å; I101-Y107 HydrophobicContact CD1-CE2 3.95Å; I101-Y107 HydrophobicContact CG1-CD2 4.32Å; I101-Y107 HydrophobicContact CG1-CE2 3.81Å; I101-Y107 HydrophobicContact CG2-CD1 3.93Å; I101-Y107 HydrophobicContact CG2-CD2 3.7Å; I101-Y107 HydrophobicContact CG2-CE1 3.89Å; I101-Y107 HydrophobicContact CG2-CE2 3.66Å; I101-Y107 HydrophobicContact CG2-CG 3.82Å; Y107-D111 HydrophobicContact CD2-CB 3.76Å; Y107-D111 HydrophobicContact CE2-CB 3.78Å; Y107-A112 WeakPolarHBondContact OH-CB 3.31Å; Y107-L206 WeakPolarHBondContact CE1-O 3.49Å; Y107-L206 PolarHBondContact OH-O 2.74Å; Y107-H282 PolarHBondContact N-CE1 3.29Å; Y107-H282 PolarHBondContact N-ND1 3.34Å; Y107-H282 WeakPolarHBondContact O-CA 3.28Å; Y107-H282 PolarHBondContact O-ND1 3.41Å; Y107-R283 PolarHBondContact O-N 2.78Å; Y107-T286 HydrophobicContact CD1-CG2 4.33Å; Y107-T286 HydrophobicContact CE1-CG2 4.09Å; Y107-V287 HydrophobicContact CD1-CG2 4.39Å
108S97Very high94.1Very high3 Ų338.5 Ų38.52%0.02120%0.196CC..  trans-139.3174-172.767.20000112.5A110 D111 A112 M281S108-A110 VanDerWaalsContact C-N 3.25Å; S108-A110 PolarHBondContact O-N 3.05Å; S108-A110 PolarHBondContact OG-N 3.21Å; S108-D111 PolarHBondContact N-OD2 3.05Å; S108-D111 PolarHBondContact O-N 3.49Å; S108-D111 PolarHBondContact OG-N 3.47Å; S108-D111 PolarHBondContact OG-OD2 2.81Å; S108-A112 PolarHBondContact O-N 2.96Å; S108-A112 VanDerWaalsContact O-N 3.1Å; S108-M281 WeakPolarHBondContact CB-O 3.47Å
109E98.4Very high94.4Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-62.9-34.2171.4-71.5-169.9-157.100112.2D111 A112 S113 L207 V240 T241 W270 A278 S279E109-D111 VanDerWaalsContact C-N 3.26Å; E109-D111 PolarHBondContact O-N 3.48Å; E109-A112 PolarHBondContact O-N 3.47Å; E109-S113 VanDerWaalsContact O-CB 3.23Å; E109-S113 WeakPolarHBondContact O-CB 3.48Å; E109-S113 PolarHBondContact O-N 3.3Å; E109-L207 HydrophobicContact CG-CD2 3.99Å; E109-V240 WeakPolarHBondContact OE1-CA 3.1Å; E109-T241 PolarHBondContact OE1-N 2.94Å; E109-T241 WeakPolarHBondContact OE2-CB 3.33Å; E109-T241 VanDerWaalsContact OE2-CG2 3.28Å; E109-T241 WeakPolarHBondContact OE2-CG2 3.29Å; E109-T241 PolarHBondContact OE2-OG1 2.71Å; E109-W270 HydrophobicContact CB-CZ2 3.9Å; E109-W270 HydrophobicContact CG-CZ2 4.35Å; E109-W270 WeakPolarHBondContact O-CZ2 3.44Å; E109-W270 PolarHBondContact OE2-NE1 3.02Å; E109-A278 HydrophobicContact CB-CB 4.21Å; E109-S279 WeakPolarHBondContact CB-O 3.48Å; E109-S279 PolarHBondContact N-O 2.92Å; E109-S279 VanDerWaalsContact N-O 3.12Å; E109-S279 PolarHBondContact OE2-N 2.79Å
110A97.8Very high94.9Very high17 Ų1735.4 Ų35.414%0.1418%0.182CC..Hα-helixtrans-60.9-38.5176.100000111.3S108 S113 H114 R274 A278 S279S108-A110 VanDerWaalsContact C-N 3.25Å; S108-A110 PolarHBondContact O-N 3.05Å; S108-A110 PolarHBondContact OG-N 3.21Å; A110-S113 PolarHBondContact O-N 3.34Å; A110-H114 PolarHBondContact O-N 3.24Å; A110-R274 HydrophobicContact CB-CG 4.05Å; A110-R274 VanDerWaalsContact O-CD 3.26Å; A110-R274 WeakPolarHBondContact O-CD 3.49Å; A110-R274 PolarHBondContact O-NE 3.08Å; A110-A278 HydrophobicContact CB-CB 4.35Å; A110-S279 PolarHBondContact N-O 3.21Å
111D96.3Very high95.2Very high42 Ų4236 Ų3623%0.22518%0.183CC..Hα-helixtrans-67.6-44.3174.8-60-61.3000111.7Y107 S108 E109 S113 H114 C115Y107-D111 HydrophobicContact CD2-CB 3.76Å; Y107-D111 HydrophobicContact CE2-CB 3.78Å; S108-D111 PolarHBondContact N-OD2 3.05Å; S108-D111 PolarHBondContact O-N 3.49Å; S108-D111 PolarHBondContact OG-N 3.47Å; S108-D111 PolarHBondContact OG-OD2 2.81Å; E109-D111 VanDerWaalsContact C-N 3.26Å; E109-D111 PolarHBondContact O-N 3.48Å; D111-S113 VanDerWaalsContact C-N 3.33Å; D111-S113 PolarHBondContact O-N 3.04Å; D111-H114 WeakPolarHBondContact O-CB 3.49Å; D111-H114 PolarHBondContact O-N 2.94Å; D111-C115 PolarHBondContact O-N 3.25Å; D111-C115 PolarHBondContact O-SG 2.67Å
112A97.7Very high95.6Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-60.4-42.9174.900000111.8Y107 S108 E109 H114 C115 I116 L206 L207 W270Y107-A112 WeakPolarHBondContact OH-CB 3.31Å; S108-A112 PolarHBondContact O-N 2.96Å; S108-A112 VanDerWaalsContact O-N 3.1Å; E109-A112 PolarHBondContact O-N 3.47Å; A112-H114 VanDerWaalsContact C-N 3.31Å; A112-H114 PolarHBondContact O-N 3.37Å; A112-C115 PolarHBondContact O-N 3.02Å; A112-I116 PolarHBondContact O-N 2.87Å; A112-L206 HydrophobicContact CB-CB 4.19Å; A112-L207 HydrophobicContact CB-CD2 3.81Å; A112-W270 HydrophobicContact CB-CH2 4.06Å
113S98.6Very high96.1Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-60.6-39.7174.8174.10000111.3E109 A110 D111 Q117 W270 R274E109-S113 VanDerWaalsContact O-CB 3.23Å; E109-S113 WeakPolarHBondContact O-CB 3.48Å; E109-S113 PolarHBondContact O-N 3.3Å; A110-S113 PolarHBondContact O-N 3.34Å; D111-S113 VanDerWaalsContact C-N 3.33Å; D111-S113 PolarHBondContact O-N 3.04Å; S113-Q117 WeakPolarHBondContact O-CB 3.22Å; S113-Q117 PolarHBondContact O-N 2.77Å; S113-W270 VanDerWaalsContact CA-CZ3 3.49Å; S113-W270 PolarHBondContact OG-O 2.82Å; S113-R274 PolarHBondContact O-NH2 3.48Å; S113-R274 VanDerWaalsContact O-NH2 3.11Å; S113-R274 PolarHBondContact OG-NE 3.48Å; S113-R274 PolarHBondContact OG-NH2 3.02Å
114H97.6Very high96.6Very high74 Ų7432.2 Ų32.234%0.34315%0.149SC..Hα-helixtrans-66.7-38.7174.8-174.950.1000113.1A110 D111 A112 Q118 R274A110-H114 PolarHBondContact O-N 3.24Å; D111-H114 WeakPolarHBondContact O-CB 3.49Å; D111-H114 PolarHBondContact O-N 2.94Å; A112-H114 VanDerWaalsContact C-N 3.31Å; A112-H114 PolarHBondContact O-N 3.37Å; H114-Q118 PolarHBondContact CE1-NE2 2.97Å; H114-Q118 PolarHBondContact NE2-NE2 3.01Å; H114-Q118 VanDerWaalsContact NE2-NE2 3.14Å; H114-Q118 PolarHBondContact O-N 3.06Å; H114-Q118 PolarHBondContact O-NE2 3.02Å; H114-R274 PolarHBondContact ND1-NH1 3Å
115C97.8Very high97.2Very high3 Ų330.1 Ų30.12%0.0214%0.143CC..Hα-helixtrans-66.3-50.4176.1-62.20000111.1L97 D111 A112 Q117 Q118 I119 L206L97-C115 HydrophobicContact CD2-CB 4.09Å; D111-C115 PolarHBondContact O-N 3.25Å; D111-C115 PolarHBondContact O-SG 2.67Å; A112-C115 PolarHBondContact O-N 3.02Å; C115-Q117 VanDerWaalsContact C-N 3.29Å; C115-Q117 PolarHBondContact O-N 3.36Å; C115-Q118 PolarHBondContact O-N 2.65Å; C115-I119 WeakPolarHBondContact O-CG1 3.39Å; C115-I119 PolarHBondContact O-N 3.27Å; C115-I119 VanDerWaalsContact O-N 3.16Å; C115-L206 HydrophobicContact CB-CD1 4.31Å
116I98.7Very high97.8Very high0 Ų021.3 Ų21.30%010%0.102CC..Hα-helixtrans-66.7-30.9-177.5-156.565.8000112.2A112 I119 L120 I202 L203 L206 W270 I271A112-I116 PolarHBondContact O-N 2.87Å; I116-I119 HydrophobicContact CD1-CB 4.4Å; I116-I119 HydrophobicContact CD1-CD1 4.15Å; I116-I119 HydrophobicContact CD1-CG2 4.48Å; I116-I119 PolarHBondContact O-N 2.77Å; I116-L120 HydrophobicContact CG1-CD1 4.16Å; I116-L120 HydrophobicContact CG1-CG 4.35Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 VanDerWaalsContact O-CG 3.27Å; I116-L120 WeakPolarHBondContact O-CG 3.45Å; I116-L120 PolarHBondContact O-N 3.41Å; I116-I202 HydrophobicContact CD1-CG2 4.34Å; I116-L203 HydrophobicContact CB-CD1 4.3Å; I116-L203 HydrophobicContact CD1-CB 4.15Å; I116-L203 HydrophobicContact CG1-CB 4.33Å; I116-L203 HydrophobicContact CG1-CD1 4.35Å; I116-L203 HydrophobicContact CG2-CD1 4.31Å; I116-L206 HydrophobicContact CD1-CD1 4.49Å; I116-W270 HydrophobicContact CG2-CZ3 3.85Å; I116-I271 HydrophobicContact CG2-CD1 3.8Å; I116-I271 HydrophobicContact CG2-CG1 4.11Å
117Q98.8Very high98.2Very high53 Ų5316.8 Ų16.825%0.2489%0.085CC..Hα-helixtrans-57.5-51.9173.6-176.7-169.7-9.700110.8S113 C115 I119 L120 E121 L266 I271S113-Q117 WeakPolarHBondContact O-CB 3.22Å; S113-Q117 PolarHBondContact O-N 2.77Å; C115-Q117 VanDerWaalsContact C-N 3.29Å; C115-Q117 PolarHBondContact O-N 3.36Å; Q117-I119 VanDerWaalsContact C-N 3.28Å; Q117-I119 PolarHBondContact O-N 2.81Å; Q117-L120 PolarHBondContact O-N 2.89Å; Q117-L120 VanDerWaalsContact O-N 3.15Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.31Å; Q117-E121 PolarHBondContact NE2-OE1 3.27Å; Q117-E121 WeakPolarHBondContact O-CG 3.27Å; Q117-E121 PolarHBondContact O-N 3.25Å; Q117-L266 HydrophobicContact CG-CD2 3.85Å; Q117-I271 HydrophobicContact CB-CG2 3.93Å; Q117-I271 HydrophobicContact CG-CG2 3.91Å
118Q98.6Very high98.3Very high16 Ų1622.8 Ų22.88%0.07511%0.113CC..Hα-helixtrans-63.5-35.5-179.4-71.3178.378.300112.4N71 H114 C115 A122 A151 V152N71-Q118 PolarHBondContact ND2-OE1 3.1Å; N71-Q118 VanDerWaalsContact ND2-OE1 3.11Å; H114-Q118 PolarHBondContact CE1-NE2 2.97Å; H114-Q118 PolarHBondContact NE2-NE2 3.01Å; H114-Q118 VanDerWaalsContact NE2-NE2 3.14Å; H114-Q118 PolarHBondContact O-N 3.06Å; H114-Q118 PolarHBondContact O-NE2 3.02Å; C115-Q118 PolarHBondContact O-N 2.65Å; Q118-A122 PolarHBondContact O-N 3.06Å; Q118-A122 VanDerWaalsContact O-N 3.14Å; Q118-A151 VanDerWaalsContact OE1-CA 3.25Å; Q118-V152 HydrophobicContact CB-CB 4.04Å
119I98.8Very high98.4Very high3 Ų326.3 Ų26.32%0.01513%0.13CC..Hα-helixtrans-64.1-48.2173.7-63.9167.9000110L97 C115 I116 Q117 E121 A122 V123 L141 V152 I202L97-I119 HydrophobicContact CD2-CD1 4.45Å; C115-I119 WeakPolarHBondContact O-CG1 3.39Å; C115-I119 PolarHBondContact O-N 3.27Å; C115-I119 VanDerWaalsContact O-N 3.16Å; I116-I119 HydrophobicContact CD1-CB 4.4Å; I116-I119 HydrophobicContact CD1-CD1 4.15Å; I116-I119 HydrophobicContact CD1-CG2 4.48Å; I116-I119 PolarHBondContact O-N 2.77Å; Q117-I119 VanDerWaalsContact C-N 3.28Å; Q117-I119 PolarHBondContact O-N 2.81Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 PolarHBondContact O-N 3.42Å; I119-A122 WeakPolarHBondContact O-CB 3.41Å; I119-A122 PolarHBondContact O-N 3.29Å; I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 VanDerWaalsContact O-CG2 3.3Å; I119-V123 WeakPolarHBondContact O-CG2 3.17Å; I119-V123 PolarHBondContact O-N 3.36Å; I119-L141 HydrophobicContact CD1-CD1 3.62Å; I119-L141 HydrophobicContact CD1-CD2 3.94Å; I119-L141 HydrophobicContact CD1-CG 4.38Å; I119-L141 HydrophobicContact CG1-CD1 4.42Å; I119-L141 HydrophobicContact CG1-CD2 3.79Å; I119-L141 HydrophobicContact CG2-CD2 4.38Å; I119-V152 HydrophobicContact CG1-CG1 4.03Å; I119-I202 HydrophobicContact CD1-CG2 4.26Å
120L98.9Very high98.3Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-66.5-33.4179.7-73.1166.4000112.7I116 Q117 V123 L124 L196 C199 M251 A262 A265 L266 I271I116-L120 HydrophobicContact CG1-CD1 4.16Å; I116-L120 HydrophobicContact CG1-CG 4.35Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 VanDerWaalsContact O-CG 3.27Å; I116-L120 WeakPolarHBondContact O-CG 3.45Å; I116-L120 PolarHBondContact O-N 3.41Å; Q117-L120 PolarHBondContact O-N 2.89Å; Q117-L120 VanDerWaalsContact O-N 3.15Å; L120-V123 PolarHBondContact O-N 2.88Å; L120-L124 WeakPolarHBondContact O-CB 3.26Å; L120-L124 PolarHBondContact O-N 2.82Å; L120-L196 HydrophobicContact CD2-CD1 3.77Å; L120-C199 HydrophobicContact CD2-CB 4.46Å; L120-M251 HydrophobicContact CD1-CE 3.89Å; L120-M251 HydrophobicContact CD2-CE 3.93Å; L120-M251 HydrophobicContact CG-CE 4.4Å; L120-A262 HydrophobicContact CD2-CB 4.4Å; L120-A265 HydrophobicContact CD1-CB 3.8Å; L120-A265 HydrophobicContact CD2-CB 4.05Å; L120-L266 HydrophobicContact CB-CD1 4.41Å; L120-L266 HydrophobicContact CB-CD2 3.72Å; L120-L266 HydrophobicContact CB-CG 3.87Å; L120-L266 HydrophobicContact CD1-CD2 4.47Å; L120-I271 HydrophobicContact CD1-CD1 3.45Å; L120-I271 VanDerWaalsContact CD1-CD1 3.45Å
121E98.9Very high98.4Very high56 Ų5626.1 Ų26.126%0.26213%0.129SC..Hα-helixtrans-62.6-46172.4-74.2165.9177.100111Q117 I119 L124 H125 L266Q117-E121 WeakPolarHBondContact CG-OE1 3.31Å; Q117-E121 PolarHBondContact NE2-OE1 3.27Å; Q117-E121 WeakPolarHBondContact O-CG 3.27Å; Q117-E121 PolarHBondContact O-N 3.25Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 PolarHBondContact O-N 3.42Å; E121-L124 PolarHBondContact O-N 2.98Å; E121-H125 PolarHBondContact O-N 3.36Å; E121-L266 HydrophobicContact CG-CD1 4.16Å; E121-L266 HydrophobicContact CG-CD2 3.93Å
122A98.8Very high98.5Very high1 Ų124.1 Ų24.11%0.00812%0.119CC..Hα-helixtrans-61.7-45.8173.700000112.3N71 I72 Q118 I119 H125 C126 L154N71-A122 HydrophobicContact CB-CB 3.98Å; N71-A122 WeakPolarHBondContact O-CB 3.42Å; I72-A122 HydrophobicContact CD1-CB 4.38Å; I72-A122 HydrophobicContact CG1-CB 3.81Å; Q118-A122 PolarHBondContact O-N 3.06Å; Q118-A122 VanDerWaalsContact O-N 3.14Å; I119-A122 WeakPolarHBondContact O-CB 3.41Å; I119-A122 PolarHBondContact O-N 3.29Å; A122-H125 PolarHBondContact O-N 3.03Å; A122-C126 PolarHBondContact O-N 3.23Å; A122-C126 PolarHBondContact O-SG 2.9Å; A122-L154 HydrophobicContact CB-CB 4.14Å; A122-L154 HydrophobicContact CB-CD2 4.29Å
123V98.9Very high98.5Very high1 Ų124.2 Ų24.21%0.00612%0.119CC..Hα-helixtrans-64.4-42.2179.2171.60000111.3I119 L120 H125 C126 H127 L136 D195 L196 A262I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 VanDerWaalsContact O-CG2 3.3Å; I119-V123 WeakPolarHBondContact O-CG2 3.17Å; I119-V123 PolarHBondContact O-N 3.36Å; L120-V123 PolarHBondContact O-N 2.88Å; V123-H125 VanDerWaalsContact C-N 3.33Å; V123-H125 PolarHBondContact O-N 3.42Å; V123-C126 WeakPolarHBondContact O-CB 3.4Å; V123-C126 PolarHBondContact O-N 3.45Å; V123-H127 VanDerWaalsContact CG1-CE1 3.47Å; V123-H127 WeakPolarHBondContact CG1-CE1 3.42Å; V123-H127 WeakPolarHBondContact O-CB 3.38Å; V123-H127 PolarHBondContact O-CD2 3.19Å; V123-H127 VanDerWaalsContact O-CD2 3.3Å; V123-H127 VanDerWaalsContact O-CG 3.28Å; V123-H127 PolarHBondContact O-N 2.84Å; V123-L136 HydrophobicContact CG2-CD1 3.7Å; V123-L136 HydrophobicContact CG2-CD2 4.38Å; V123-D195 HydrophobicContact CG1-CB 4.09Å; V123-L196 HydrophobicContact CG1-CD2 4.27Å; V123-A262 HydrophobicContact CG1-CB 4.22Å
124L98.8Very high98.5Very high38 Ų3825.4 Ų25.420%0.19912%0.124CC..Hα-helixtrans-60-44.6175.7178.359.8000111L120 E121 C126 H127 Q128 A262 A263 L266L120-L124 WeakPolarHBondContact O-CB 3.26Å; L120-L124 PolarHBondContact O-N 2.82Å; E121-L124 PolarHBondContact O-N 2.98Å; L124-C126 PolarHBondContact O-N 3.17Å; L124-H127 PolarHBondContact O-N 2.92Å; L124-Q128 HydrophobicContact CD1-CG 4.16Å; L124-Q128 HydrophobicContact CG-CG 4.41Å; L124-Q128 WeakPolarHBondContact O-CB 3.48Å; L124-Q128 VanDerWaalsContact O-CG 3.31Å; L124-Q128 WeakPolarHBondContact O-CG 3.2Å; L124-Q128 PolarHBondContact O-N 3.04Å; L124-A262 HydrophobicContact CB-CB 3.94Å; L124-A262 HydrophobicContact CD1-CB 4.29Å; L124-A263 HydrophobicContact CD1-CB 3.95Å; L124-A263 HydrophobicContact CD2-CB 4.46Å; L124-L266 HydrophobicContact CB-CD1 4.38Å; L124-L266 HydrophobicContact CD2-CD1 3.76Å
125H98.8Very high98.4Very high30 Ų3022.5 Ų22.514%0.13911%0.11CC..Hα-helixtrans-59.5-45.6175.8-177.781.5000111.6K68 H69 E121 A122 V123 H127 Q128 M129K68-H125 PolarHBondContact N-NE2 3.41Å; K68-H125 PolarHBondContact O-CE1 3.46Å; H69-H125 HydrophobicContact CB-CB 4.22Å; H69-H125 AromaticContact CD2-CG 3.77Å; H69-H125 AromaticContact CD2-ND1 3.92Å; H69-H125 AromaticContact CG-CG 3.99Å; E121-H125 PolarHBondContact O-N 3.36Å; A122-H125 PolarHBondContact O-N 3.03Å; V123-H125 VanDerWaalsContact C-N 3.33Å; V123-H125 PolarHBondContact O-N 3.42Å; H125-H127 VanDerWaalsContact C-N 3.33Å; H125-H127 PolarHBondContact O-N 3.32Å; H125-Q128 PolarHBondContact O-N 3.35Å; H125-M129 VanDerWaalsContact O-CG 3.31Å; H125-M129 WeakPolarHBondContact O-CG 3.44Å; H125-M129 PolarHBondContact O-N 3.29Å; H125-M129 VanDerWaalsContact O-N 3.08Å
126C98.6Very high98.5Very high1 Ų122.4 Ų22.41%0.00711%0.11CC..Hα-helixtrans-55.4-49.2173-66.30000111.4L67 A122 V123 L124 Q128 M129 G130 V131L67-C126 HydrophobicContact CD2-CB 4.48Å; A122-C126 PolarHBondContact O-N 3.23Å; A122-C126 PolarHBondContact O-SG 2.9Å; V123-C126 WeakPolarHBondContact O-CB 3.4Å; V123-C126 PolarHBondContact O-N 3.45Å; L124-C126 PolarHBondContact O-N 3.17Å; C126-Q128 PolarHBondContact O-N 2.9Å; C126-M129 CarbonylContact O-C 3.57Å; C126-M129 PolarHBondContact O-N 3Å; C126-M129 VanDerWaalsContact O-N 3.1Å; C126-G130 PolarHBondContact O-N 2.91Å; C126-V131 CarbonylContact C-O 3.4Å; C126-V131 VanDerWaalsContact C-O 3.26Å; C126-V131 HydrophobicContact CB-CB 4.29Å; C126-V131 WeakPolarHBondContact O-CA 3.44Å; C126-V131 PolarHBondContact O-N 3.15Å
127H98.7Very high98.3Very high14 Ų1424 Ų247%0.06512%0.116CC..Hα-helixtrans-65.8-36-176.5-71.6-171000112.9V123 L124 H125 M129 G130 V131 K192 D195 L196V123-H127 VanDerWaalsContact CG1-CE1 3.47Å; V123-H127 WeakPolarHBondContact CG1-CE1 3.42Å; V123-H127 WeakPolarHBondContact O-CB 3.38Å; V123-H127 PolarHBondContact O-CD2 3.19Å; V123-H127 VanDerWaalsContact O-CD2 3.3Å; V123-H127 VanDerWaalsContact O-CG 3.28Å; V123-H127 PolarHBondContact O-N 2.84Å; L124-H127 PolarHBondContact O-N 2.92Å; H125-H127 VanDerWaalsContact C-N 3.33Å; H125-H127 PolarHBondContact O-N 3.32Å; H127-M129 VanDerWaalsContact C-N 3.31Å; H127-G130 PolarHBondContact O-N 3.48Å; H127-V131 PolarHBondContact CD2-O 2.66Å; H127-K192 HydrophobicContact CB-CD 3.99Å; H127-K192 HydrophobicContact CB-CG 4.25Å; H127-K192 PolarHBondContact CE1-O 3.3Å; H127-K192 VanDerWaalsContact O-CE 3.26Å; H127-K192 WeakPolarHBondContact O-CE 3.43Å; H127-K192 PolarHBondContact O-NZ 3.45Å; H127-D195 IonicContact CD2-OD2 2.99Å; H127-D195 IonicContact CE1-OD2 3.66Å; H127-D195 IonicContact NE2-OD2 2.77Å; H127-D195 PolarHBondContact NE2-OD2 2.99Å; H127-L196 WeakPolarHBondContact CE1-CD2 3.39Å
128Q98.3Very high98.1Very high127 Ų12721.4 Ų21.459%0.59311%0.105SC*.Hα-helixtrans-66.7-33.5173.5-74.3173.6-14.300112.1L124 H125 C126 G130L124-Q128 HydrophobicContact CD1-CG 4.16Å; L124-Q128 HydrophobicContact CG-CG 4.41Å; L124-Q128 WeakPolarHBondContact O-CB 3.48Å; L124-Q128 VanDerWaalsContact O-CG 3.31Å; L124-Q128 WeakPolarHBondContact O-CG 3.2Å; L124-Q128 PolarHBondContact O-N 3.04Å; H125-Q128 PolarHBondContact O-N 3.35Å; C126-Q128 PolarHBondContact O-N 2.9Å; Q128-G130 PolarHBondContact O-N 3.27Å
129M98.1Very high97.7Very high77 Ų7723.3 Ų23.338%0.37911%0.113SC..THydrogen-bonded Turntrans-83.18.5174.7-62.4-60.496.500113.1L66 L67 H125 C126 H127 V131L66-M129 HydrophobicContact CD1-SD 4.42Å; L66-M129 HydrophobicContact CD2-CB 4Å; L66-M129 HydrophobicContact CG-CB 4.24Å; L66-M129 HydrophobicContact CG-CG 4.5Å; L67-M129 HydrophobicContact CD2-CB 3.93Å; L67-M129 HydrophobicContact CD2-CG 4.1Å; H125-M129 VanDerWaalsContact O-CG 3.31Å; H125-M129 WeakPolarHBondContact O-CG 3.44Å; H125-M129 PolarHBondContact O-N 3.29Å; H125-M129 VanDerWaalsContact O-N 3.08Å; C126-M129 CarbonylContact O-C 3.57Å; C126-M129 PolarHBondContact O-N 3Å; C126-M129 VanDerWaalsContact O-N 3.1Å; H127-M129 VanDerWaalsContact C-N 3.31Å; M129-V131 VanDerWaalsContact C-N 3.3Å; M129-V131 PolarHBondContact O-N 3.31Å
130G98Very high97.5Very high13 Ų1323.5 Ų23.513%0.13412%0.115CC..THydrogen-bonded Turntrans68.328.2-179.100000113.2C126 H127 Q128 E162 V163C126-G130 PolarHBondContact O-N 2.91Å; H127-G130 PolarHBondContact O-N 3.48Å; Q128-G130 PolarHBondContact O-N 3.27Å; G130-E162 CarbonylContact O-C 3.54Å; G130-E162 VanDerWaalsContact O-CA 3.26Å; G130-E162 WeakPolarHBondContact O-CA 3.36Å; G130-V163 PolarHBondContact O-N 3.3Å
131V98.4Very high97.4Very high0 Ų023.6 Ų23.60%012%0.115CC..EExtended strand (participates in β ladder)trans-111.7136.3179176.90000110.4I63 L66 L67 C126 H127 M129 A160 I161I63-V131 HydrophobicContact CD1-CG1 4.36Å; I63-V131 HydrophobicContact CG1-CG2 4.35Å; I63-V131 HydrophobicContact CG2-CG1 3.74Å; I63-V131 HydrophobicContact CG2-CG2 4.14Å; L66-V131 HydrophobicContact CD2-CG2 4.24Å; L67-V131 HydrophobicContact CD1-CG1 4.31Å; L67-V131 HydrophobicContact CD2-CB 4.42Å; L67-V131 HydrophobicContact CD2-CG2 4.23Å; C126-V131 CarbonylContact C-O 3.4Å; C126-V131 VanDerWaalsContact C-O 3.26Å; C126-V131 HydrophobicContact CB-CB 4.29Å; C126-V131 WeakPolarHBondContact O-CA 3.44Å; C126-V131 PolarHBondContact O-N 3.15Å; H127-V131 PolarHBondContact CD2-O 2.66Å; M129-V131 VanDerWaalsContact C-N 3.3Å; M129-V131 PolarHBondContact O-N 3.31Å; V131-A160 HydrophobicContact CG1-CB 4.19Å; V131-I161 VanDerWaalsContact CA-O 3.31Å; V131-I161 WeakPolarHBondContact CA-O 3.33Å
132V98.5Very high97.3Very high0 Ų022.6 Ų22.60%011%0.111CC..EExtended strand (participates in β ladder)trans-116.4129.3171.2-173.20000108.7R134 A160 I161 V163 K192 V194 D195V132-R134 HydrophobicContact CB-CG 4.36Å; V132-R134 HydrophobicContact CG1-CG 3.81Å; V132-A160 VanDerWaalsContact O-CA 3.23Å; V132-A160 WeakPolarHBondContact O-CA 3.45Å; V132-I161 HydrophobicContact CB-CD1 4.27Å; V132-I161 HydrophobicContact CB-CG1 3.85Å; V132-I161 HydrophobicContact CG2-CG1 4.46Å; V132-I161 PolarHBondContact N-O 2.86Å; V132-I161 PolarHBondContact O-N 3.09Å; V132-V163 HydrophobicContact CG2-CG1 3.72Å; V132-V163 HydrophobicContact CG2-CG2 3.92Å; V132-K192 HydrophobicContact CG2-CB 4.48Å; V132-K192 HydrophobicContact CG2-CG 3.95Å; V132-V194 HydrophobicContact CG1-CG2 3.54Å; V132-D195 WeakPolarHBondContact CG1-OD2 3.36Å
133H98.5Very high97.2Very high1 Ų122.7 Ų22.71%0.00511%0.112CC..  trans-75.1-45.1-172.8-170.4-81.9000112.5D135 L136 A155 D156 F157 L159 D195H133-D135 PolarHBondContact CE1-O 3.44Å; H133-D135 VanDerWaalsContact CE1-O 3.3Å; H133-D135 PolarHBondContact ND1-N 3.2Å; H133-D135 PolarHBondContact ND1-O 2.98Å; H133-D135 PolarHBondContact O-N 2.91Å; H133-L136 HydrophobicContact CB-CD2 4.39Å; H133-L136 HydrophobicContact CB-CG 4.16Å; H133-L136 PolarHBondContact ND1-N 3.48Å; H133-A155 PolarHBondContact NE2-O 3.16Å; H133-D156 PolarHBondContact CE1-O 3.08Å; H133-D156 VanDerWaalsContact CE1-O 3.26Å; H133-D156 PolarHBondContact NE2-O 3.01Å; H133-F157 AromaticContact CD2-CD1 3.72Å; H133-F157 AromaticContact CD2-CE1 3.6Å; H133-L159 CarbonylContact O-C 3.57Å; H133-D195 PolarHBondContact N-OD1 3.36Å; H133-D195 PolarHBondContact N-OD2 3.35Å
134R97.8Very high96.9Very high26 Ų2624 Ų2410%0.09812%0.122CC..SBendtrans65.6-9.4178.9-52.2-165.8-60.6171.9-1.5117.5V132 L159 I161 F171 Y190 V194 D195V132-R134 HydrophobicContact CB-CG 4.36Å; V132-R134 HydrophobicContact CG1-CG 3.81Å; R134-L159 PolarHBondContact NE-O 3.35Å; R134-L159 PolarHBondContact NH2-O 3.04Å; R134-I161 HydrophobicContact CG-CG1 4.31Å; R134-I161 VanDerWaalsContact NH2-CG2 3.31Å; R134-F171 VanDerWaalsContact NH1-CB 3.35Å; R134-F171 PolarHBondContact NH1-O 3.36Å; R134-Y190 HydrophobicContact CG-CE2 4.42Å; R134-Y190 PolarHBondContact NH1-OH 3.08Å; R134-V194 HydrophobicContact CG-CG2 4.27Å; R134-D195 PolarHBondContact N-OD1 3.25Å
135D96.9Very high96.7Very high12 Ų1223.7 Ų23.76%0.06412%0.123CC..  trans-134.446.5176.4-158.637.2000112.7H133 K137 N140 L159 T176H133-D135 PolarHBondContact CE1-O 3.44Å; H133-D135 VanDerWaalsContact CE1-O 3.3Å; H133-D135 PolarHBondContact ND1-N 3.2Å; H133-D135 PolarHBondContact ND1-O 2.98Å; H133-D135 PolarHBondContact O-N 2.91Å; D135-K137 PolarHBondContact O-N 3.2Å; D135-K137 IonicContact OD1-NZ 2.95Å; D135-K137 WeakPolarHBondContact OD2-CE 3.26Å; D135-K137 IonicContact OD2-NZ 2.88Å; D135-K137 PolarHBondContact OD2-NZ 2.77Å; D135-N140 PolarHBondContact O-ND2 2.96Å; D135-L159 HydrophobicContact CB-CB 4.25Å; D135-L159 HydrophobicContact CB-CD1 3.94Å; D135-L159 HydrophobicContact CB-CG 4.47Å; D135-T176 WeakPolarHBondContact OD1-CB 3.29Å; D135-T176 PolarHBondContact OD1-N 3.28Å; D135-T176 PolarHBondContact OD1-OG1 3.11Å
136L98.3Very high96.2Very high1 Ų130.7 Ų30.71%0.00515%0.153CC..  trans-69.9123.8172.4-73.6173.8000110V123 H133 L154 D195 A198 I202V123-L136 HydrophobicContact CG2-CD1 3.7Å; V123-L136 HydrophobicContact CG2-CD2 4.38Å; H133-L136 HydrophobicContact CB-CD2 4.39Å; H133-L136 HydrophobicContact CB-CG 4.16Å; H133-L136 PolarHBondContact ND1-N 3.48Å; L136-L154 HydrophobicContact CD2-CD1 3.38Å; L136-L154 HydrophobicContact CD2-CD2 4.01Å; L136-L154 HydrophobicContact CD2-CG 4.37Å; L136-D195 HydrophobicContact CD1-CB 3.69Å; L136-A198 HydrophobicContact CB-CB 3.73Å; L136-I202 HydrophobicContact CB-CD1 4.03Å
137K95.6Very high95.6Very high33 Ų3334.4 Ų34.414%0.14318%0.18CC..SBendtrans-164.4164-176.863.1-171.9-171.6-157.50110.6D135 E139 N140 T176 Y179D135-K137 PolarHBondContact O-N 3.2Å; D135-K137 IonicContact OD1-NZ 2.95Å; D135-K137 WeakPolarHBondContact OD2-CE 3.26Å; D135-K137 IonicContact OD2-NZ 2.88Å; D135-K137 PolarHBondContact OD2-NZ 2.77Å; K137-E139 VanDerWaalsContact C-N 3.26Å; K137-E139 WeakPolarHBondContact CB-OE2 3.3Å; K137-E139 HydrophobicContact CD-CB 4.39Å; K137-E139 WeakPolarHBondContact CD-OE2 3.45Å; K137-E139 HydrophobicContact CG-CB 4.14Å; K137-E139 WeakPolarHBondContact CG-OE2 3.42Å; K137-E139 PolarHBondContact O-N 3.39Å; K137-N140 HydrophobicContact CG-CB 4.34Å; K137-N140 PolarHBondContact O-N 3.26Å; K137-T176 HydrophobicContact CD-CG2 4.44Å; K137-T176 VanDerWaalsContact CD-OG1 3.3Å; K137-T176 WeakPolarHBondContact CD-OG1 3.49Å; K137-T176 PolarHBondContact NZ-OG1 3.42Å; K137-Y179 HydrophobicContact CB-CD1 4.49Å; K137-Y179 HydrophobicContact CB-CD2 3.97Å; K137-Y179 HydrophobicContact CB-CE1 4.42Å; K137-Y179 HydrophobicContact CB-CE2 3.88Å; K137-Y179 HydrophobicContact CB-CG 4.29Å
138P93.5Very high94.7Very high0 Ų044.2 Ų44.20%022%0.222CC..G310 helixtrans-48.2-41178.9-33.939.5000115.4F98 N140 L141 Y179 F293F98-P138 HydrophobicContact CD2-CB 3.45Å; F98-P138 VanDerWaalsContact CD2-CB 3.45Å; F98-P138 HydrophobicContact CD2-CG 3.99Å; F98-P138 HydrophobicContact CE1-CG 4.3Å; F98-P138 HydrophobicContact CE2-CB 3.65Å; F98-P138 HydrophobicContact CE2-CG 3.69Å; F98-P138 HydrophobicContact CG-CB 3.92Å; F98-P138 HydrophobicContact CG-CG 4.39Å; F98-P138 HydrophobicContact CZ-CB 4.27Å; F98-P138 HydrophobicContact CZ-CG 3.86Å; P138-N140 PolarHBondContact O-N 3.4Å; P138-L141 PolarHBondContact O-N 3.48Å; P138-L141 VanDerWaalsContact O-N 3.16Å; P138-Y179 WeakPolarHBondContact CD-OH 3.49Å; P138-Y179 VanDerWaalsContact CG-OH 3.31Å; P138-Y179 WeakPolarHBondContact CG-OH 3.37Å; P138-F293 HydrophobicContact CG-CE1 4.09Å; P138-F293 HydrophobicContact CG-CZ 4.3Å
139E90.7Very high93.9Very high55 Ų5541.4 Ų41.426%0.25723%0.227SC..G310 helixtrans-57.7-31.1179.5-66.274-174.100112.9K137 L141 R297K137-E139 VanDerWaalsContact C-N 3.26Å; K137-E139 WeakPolarHBondContact CB-OE2 3.3Å; K137-E139 HydrophobicContact CD-CB 4.39Å; K137-E139 WeakPolarHBondContact CD-OE2 3.45Å; K137-E139 HydrophobicContact CG-CB 4.14Å; K137-E139 WeakPolarHBondContact CG-OE2 3.42Å; K137-E139 PolarHBondContact O-N 3.39Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-R297 VanDerWaalsContact CG-NH1 3.25Å; E139-R297 WeakPolarHBondContact OE1-CD 3.47Å; E139-R297 WeakPolarHBondContact OE1-CG 3.34Å; E139-R297 IonicContact OE1-CZ 3.85Å; E139-R297 IonicContact OE1-NE 3.46Å; E139-R297 IonicContact OE1-NH1 2.99Å; E139-R297 PolarHBondContact OE1-NH1 3.09Å; E139-R297 IonicContact OE2-NH1 3.57Å
140N95.3Very high93.6Very high8 Ų838.6 Ų38.64%0.04322%0.216CC..G310 helixtrans-95.27.1-173.3-69.6-10.2000112.2D135 K137 P138 L154 A155D135-N140 PolarHBondContact O-ND2 2.96Å; K137-N140 HydrophobicContact CG-CB 4.34Å; K137-N140 PolarHBondContact O-N 3.26Å; P138-N140 PolarHBondContact O-N 3.4Å; N140-L154 HydrophobicContact CB-CD1 4.45Å; N140-L154 WeakPolarHBondContact O-CA 3.49Å; N140-A155 WeakPolarHBondContact CB-O 3.22Å; N140-A155 PolarHBondContact O-N 3.48Å
141L97.3Very high93.5Very high1 Ų139.6 Ų39.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-113.196.6-179.7-62.9175.5000109.6L97 F98 I119 P138 E139 V152 L154 I202L97-L141 HydrophobicContact CB-CB 4.23Å; L97-L141 WeakPolarHBondContact CB-O 3.31Å; L97-L141 HydrophobicContact CD2-CB 4.42Å; L97-L141 PolarHBondContact N-O 3.31Å; F98-L141 HydrophobicContact CE2-CD1 4.04Å; I119-L141 HydrophobicContact CD1-CD1 3.62Å; I119-L141 HydrophobicContact CD1-CD2 3.94Å; I119-L141 HydrophobicContact CD1-CG 4.38Å; I119-L141 HydrophobicContact CG1-CD1 4.42Å; I119-L141 HydrophobicContact CG1-CD2 3.79Å; I119-L141 HydrophobicContact CG2-CD2 4.38Å; P138-L141 PolarHBondContact O-N 3.48Å; P138-L141 VanDerWaalsContact O-N 3.16Å; E139-L141 VanDerWaalsContact C-N 3.34Å; L141-V152 HydrophobicContact CD2-CG1 4.43Å; L141-L154 HydrophobicContact CD2-CD1 4.28Å; L141-I202 HydrophobicContact CD1-CD1 4.2Å; L141-I202 HydrophobicContact CD1-CG2 4Å
142L95.9Very high93.5Very high35 Ų3539.7 Ų39.718%0.18322%0.224CC..EExtended strand (participates in β ladder)trans-104.8158-174.6-54-178.4000111.1V92 G95 E96 V152 K153 A155V92-L142 HydrophobicContact CG2-CB 4.08Å; V92-L142 HydrophobicContact CG2-CD1 3.6Å; V92-L142 HydrophobicContact CG2-CG 4.49Å; G95-L142 CarbonylContact O-C 3.47Å; G95-L142 VanDerWaalsContact O-CA 3.29Å; G95-L142 WeakPolarHBondContact O-CA 3.23Å; E96-L142 HydrophobicContact CG-CD2 4.09Å; L142-V152 CarbonylContact O-C 3.49Å; L142-V152 WeakPolarHBondContact O-CA 3.37Å; L142-K153 PolarHBondContact N-O 3.47Å; L142-K153 PolarHBondContact O-N 3.21Å; L142-A155 HydrophobicContact CD1-CB 3.67Å; L142-A155 HydrophobicContact CG-CB 4.09Å
143L95.9Very high93.5Very high4 Ų441 Ų412%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-100.2135.7170.9-69.9174.9000110.5G94 G95 L97 D100 S145 V152G94-L143 VanDerWaalsContact CA-O 3.3Å; G94-L143 WeakPolarHBondContact CA-O 3.23Å; G94-L143 PolarHBondContact N-O 3.41Å; G95-L143 PolarHBondContact O-N 2.88Å; L97-L143 HydrophobicContact CD1-CD2 4.06Å; L97-L143 HydrophobicContact CD1-CG 4.49Å; D100-L143 HydrophobicContact CB-CD1 3.29Å; L143-S145 VanDerWaalsContact C-N 3.25Å; L143-S145 PolarHBondContact O-N 3.41Å; L143-V152 HydrophobicContact CD2-CG2 3.96Å
144A94.2Very high93.5Very high27 Ų2741.2 Ų41.222%0.22323%0.23CC..SBendtrans-56.5-39.6-178.800000112.6T93 A151 K153T93-A144 PolarHBondContact N-O 3.03Å; T93-A144 VanDerWaalsContact N-O 3.14Å; A144-A151 HydrophobicContact CB-CB 4.48Å; A144-A151 PolarHBondContact N-O 3.23Å; A144-K153 HydrophobicContact CB-CD 4.04Å
145S93.1Very high93.3Very high32 Ų3240.5 Ų40.522%0.22423%0.23CC..  trans-152.7177.2177.3730000110.8G94 L143 S147 A150G94-S145 VanDerWaalsContact CA-O 3.3Å; G94-S145 WeakPolarHBondContact CA-O 3.45Å; L143-S145 VanDerWaalsContact C-N 3.25Å; L143-S145 PolarHBondContact O-N 3.41Å; S145-S147 PolarHBondContact O-N 3.14Å; S145-S147 VanDerWaalsContact OG-CB 3.27Å; S145-S147 WeakPolarHBondContact OG-CB 3.49Å; S145-S147 PolarHBondContact OG-N 3.23Å; S145-S147 VanDerWaalsContact OG-N 3.16Å; S145-S147 PolarHBondContact OG-OG 3.06Å; S145-A150 WeakPolarHBondContact O-CB 3.37Å
146K88.3Confident93Very high177 Ų17743.4 Ų43.477%0.7725%0.245SC*.SBendtrans-81.32.7171.4-61.9-174.7178.1-178.50113.6
147S86.9Confident92.8Very high80 Ų8043.5 Ų43.556%0.55925%0.246SC*.SBendtrans-68.5143.5-179.4-53.10000110.2S145 G149 A150S145-S147 PolarHBondContact O-N 3.14Å; S145-S147 VanDerWaalsContact OG-CB 3.27Å; S145-S147 WeakPolarHBondContact OG-CB 3.49Å; S145-S147 PolarHBondContact OG-N 3.23Å; S145-S147 VanDerWaalsContact OG-N 3.16Å; S145-S147 PolarHBondContact OG-OG 3.06Å; S147-G149 PolarHBondContact O-N 3.27Å; S147-A150 VanDerWaalsContact O-CB 3.28Å; S147-A150 WeakPolarHBondContact O-CB 3.41Å; S147-A150 PolarHBondContact O-N 3.14Å
148K78.8Confident92.5Very high220 Ų22042.7 Ų42.796%0.95725%0.247SC*.THydrogen-bonded Turntrans-58126174.3-170.9175.8-177.5176.10109.6
149G81.7Confident92.3Very high67 Ų6745.5 Ų45.569%0.69126%0.262SS*.THydrogen-bonded Turntrans78.718.4-176.600000114.6S147S147-G149 PolarHBondContact O-N 3.27Å
150A92.3Very high92.6Very high19 Ų1942.9 Ų42.916%0.15725%0.249CC..PPolyproline II helixtrans-55.1140.4171.800000111.5S145 S147S145-A150 WeakPolarHBondContact O-CB 3.37Å; S147-A150 VanDerWaalsContact O-CB 3.28Å; S147-A150 WeakPolarHBondContact O-CB 3.41Å; S147-A150 PolarHBondContact O-N 3.14Å
151A96.3Very high92.6Very high33 Ų3342.8 Ų42.827%0.27325%0.249SC..PPolyproline II helixtrans-67141.4-17900000111.5Q118 A144Q118-A151 VanDerWaalsContact OE1-CA 3.25Å; A144-A151 HydrophobicContact CB-CB 4.48Å; A144-A151 PolarHBondContact N-O 3.23Å
152V97.9Very high92.6Very high3 Ų346.3 Ų46.32%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-74.2131.9167.5-179.40000108.3N71 L97 Q118 I119 L141 L142 L143N71-V152 WeakPolarHBondContact CA-O 3.45Å; N71-V152 VanDerWaalsContact CB-O 3.26Å; N71-V152 WeakPolarHBondContact CB-O 3.5Å; N71-V152 PolarHBondContact ND2-O 3.1Å; L97-V152 HydrophobicContact CD1-CG2 4.09Å; L97-V152 HydrophobicContact CD2-CG1 4.29Å; L97-V152 HydrophobicContact CD2-CG2 4.16Å; Q118-V152 HydrophobicContact CB-CB 4.04Å; I119-V152 HydrophobicContact CG1-CG1 4.03Å; L141-V152 HydrophobicContact CD2-CG1 4.43Å; L142-V152 CarbonylContact O-C 3.49Å; L142-V152 WeakPolarHBondContact O-CA 3.37Å; L143-V152 HydrophobicContact CD2-CG2 3.96Å
153K98.3Very high92.6Very high28 Ų2845.3 Ų45.312%0.12226%0.261CS..EExtended strand (participates in β ladder)trans-123.8123.2178.8-76.8-178167-720110.5P70 N71 I72 V73 D90 V92 L142 A144P70-K153 PolarHBondContact O-NZ 3.4Å; N71-K153 CarbonylContact O-C 3.54Å; N71-K153 WeakPolarHBondContact O-CA 3.3Å; I72-K153 PolarHBondContact O-NZ 3.18Å; V73-K153 HydrophobicContact CG2-CB 3.9Å; V73-K153 HydrophobicContact CG2-CD 4.43Å; D90-K153 IonicContact OD2-NZ 3.65Å; D90-K153 PolarHBondContact OD2-NZ 3.39Å; V92-K153 HydrophobicContact CG1-CD 3.57Å; L142-K153 PolarHBondContact N-O 3.47Å; L142-K153 PolarHBondContact O-N 3.21Å; A144-K153 HydrophobicContact CB-CD 4.04Å
154L98.2Very high92.4Very high4 Ų452.1 Ų52.12%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-72.4129.8170.5179.459.2000110.2N71 I72 V73 A122 L136 N140 L141 F157N71-L154 PolarHBondContact O-N 3.35Å; I72-L154 HydrophobicContact CG1-CB 4.44Å; V73-L154 PolarHBondContact N-O 3.32Å; A122-L154 HydrophobicContact CB-CB 4.14Å; A122-L154 HydrophobicContact CB-CD2 4.29Å; L136-L154 HydrophobicContact CD2-CD1 3.38Å; L136-L154 HydrophobicContact CD2-CD2 4.01Å; L136-L154 HydrophobicContact CD2-CG 4.37Å; N140-L154 HydrophobicContact CB-CD1 4.45Å; N140-L154 WeakPolarHBondContact O-CA 3.49Å; L141-L154 HydrophobicContact CD2-CD1 4.28Å; L154-F157 HydrophobicContact CD2-CE1 4.42Å; L154-F157 HydrophobicContact CD2-CZ 3.95Å; L154-F157 HydrophobicContact CG-CE2 4.47Å; L154-F157 HydrophobicContact CG-CZ 4.06Å
155A94.8Very high92.3Very high11 Ų1153.2 Ų53.29%0.09131%0.307CS..  trans-125.1168.1-17900000111.9V73 H133 N140 L142V73-A155 HydrophobicContact CB-CB 4.49Å; V73-A155 HydrophobicContact CG2-CB 3.85Å; H133-A155 PolarHBondContact NE2-O 3.16Å; N140-A155 WeakPolarHBondContact CB-O 3.22Å; N140-A155 PolarHBondContact O-N 3.48Å; L142-A155 HydrophobicContact CD1-CB 3.67Å; L142-A155 HydrophobicContact CG-CB 4.09Å
156D90.1Very high92.2Very high73 Ų7358 Ų5839%0.3933%0.33SS..  trans58.790.6174.3-165.24.2000116.9K42 H133 G158K42-D156 IonicContact NZ-OD1 3.38Å; H133-D156 PolarHBondContact CE1-O 3.08Å; H133-D156 VanDerWaalsContact CE1-O 3.26Å; H133-D156 PolarHBondContact NE2-O 3.01Å; D156-G158 PolarHBondContact OD1-N 3.34Å; D156-G158 VanDerWaalsContact OD1-N 3.08Å
157F93.9Very high92.4Very high4 Ų455.7 Ų55.72%0.01832%0.322CS..  trans-96.419.6177.1-68.3-98.4000113.2I63 L67 I72 H133 L154 L159 A160I63-F157 HydrophobicContact CG2-CB 4.24Å; I63-F157 HydrophobicContact CG2-CD1 3.92Å; I63-F157 HydrophobicContact CG2-CG 4.28Å; L67-F157 HydrophobicContact CD1-CD1 3.66Å; L67-F157 HydrophobicContact CD1-CE1 3.17Å; L67-F157 HydrophobicContact CD1-CE2 4.35Å; L67-F157 HydrophobicContact CD1-CG 4.42Å; L67-F157 HydrophobicContact CD1-CZ 3.58Å; I72-F157 HydrophobicContact CD1-CZ 4.43Å; I72-F157 HydrophobicContact CG2-CE2 3.74Å; I72-F157 HydrophobicContact CG2-CZ 3.78Å; H133-F157 AromaticContact CD2-CD1 3.72Å; H133-F157 AromaticContact CD2-CE1 3.6Å; L154-F157 HydrophobicContact CD2-CE1 4.42Å; L154-F157 HydrophobicContact CD2-CZ 3.95Å; L154-F157 HydrophobicContact CG-CE2 4.47Å; L154-F157 HydrophobicContact CG-CZ 4.06Å; F157-L159 PolarHBondContact O-N 3.28Å; F157-L159 VanDerWaalsContact O-N 3.13Å; F157-A160 HydrophobicContact CB-CB 3.88Å; F157-A160 HydrophobicContact CD1-CB 3.93Å; F157-A160 HydrophobicContact CG-CB 4.42Å; F157-A160 VanDerWaalsContact O-CB 3.23Å; F157-A160 WeakPolarHBondContact O-CB 3.35Å; F157-A160 PolarHBondContact O-N 2.96Å
158G89.1Confident92.7Very high16 Ų1656.7 Ų56.717%0.16532%0.317CS..THydrogen-bonded Turntrans-60.1-26.3-175.500000114.7D156D156-G158 PolarHBondContact OD1-N 3.34Å; D156-G158 VanDerWaalsContact OD1-N 3.08Å
159L90.4Very high93.5Very high59 Ų5948.1 Ų48.131%0.30929%0.288SS..THydrogen-bonded Turntrans-100.90.9174.7-60.2-172.2000113.8H133 R134 D135 F157 A174H133-L159 CarbonylContact O-C 3.57Å; R134-L159 PolarHBondContact NE-O 3.35Å; R134-L159 PolarHBondContact NH2-O 3.04Å; D135-L159 HydrophobicContact CB-CB 4.25Å; D135-L159 HydrophobicContact CB-CD1 3.94Å; D135-L159 HydrophobicContact CB-CG 4.47Å; F157-L159 PolarHBondContact O-N 3.28Å; F157-L159 VanDerWaalsContact O-N 3.13Å; L159-A174 HydrophobicContact CD1-CB 4.39Å
160A95.9Very high94.2Very high0 Ų050.3 Ų50.30%028%0.275CS..  trans-66.4156-177.800000112.4R59 I63 V131 V132 F157R59-A160 PolarHBondContact NE-O 3.29Å; I63-A160 HydrophobicContact CD1-CB 3.75Å; I63-A160 HydrophobicContact CG2-CB 4.32Å; V131-A160 HydrophobicContact CG1-CB 4.19Å; V132-A160 VanDerWaalsContact O-CA 3.23Å; V132-A160 WeakPolarHBondContact O-CA 3.45Å; F157-A160 HydrophobicContact CB-CB 3.88Å; F157-A160 HydrophobicContact CD1-CB 3.93Å; F157-A160 HydrophobicContact CG-CB 4.42Å; F157-A160 VanDerWaalsContact O-CB 3.23Å; F157-A160 WeakPolarHBondContact O-CB 3.35Å; F157-A160 PolarHBondContact O-N 2.96Å
161I96.1Very high94.3Very high6 Ų652.5 Ų52.53%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-134.8156.5178.255.5167.2000110.7V131 V132 R134 V163 F171 Y190V131-I161 VanDerWaalsContact CA-O 3.31Å; V131-I161 WeakPolarHBondContact CA-O 3.33Å; V132-I161 HydrophobicContact CB-CD1 4.27Å; V132-I161 HydrophobicContact CB-CG1 3.85Å; V132-I161 HydrophobicContact CG2-CG1 4.46Å; V132-I161 PolarHBondContact N-O 2.86Å; V132-I161 PolarHBondContact O-N 3.09Å; R134-I161 HydrophobicContact CG-CG1 4.31Å; R134-I161 VanDerWaalsContact NH2-CG2 3.31Å; I161-V163 HydrophobicContact CD1-CG1 3.89Å; I161-V163 HydrophobicContact CG1-CG1 4.29Å; I161-F171 HydrophobicContact CD1-CB 3.73Å; I161-F171 HydrophobicContact CD1-CD1 3.64Å; I161-F171 HydrophobicContact CD1-CD2 3.3Å; I161-F171 HydrophobicContact CD1-CE1 3.98Å; I161-F171 HydrophobicContact CD1-CE2 3.66Å; I161-F171 HydrophobicContact CD1-CG 3.27Å; I161-F171 HydrophobicContact CD1-CZ 4Å; I161-F171 HydrophobicContact CG2-CB 4.47Å; I161-Y190 HydrophobicContact CD1-CE2 4.41Å
162E96.4Very high94Very high75 Ų7552 Ų5235%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-94140.4166.9-68.6157.6124.300109.1R62 I63 G130R62-E162 IonicContact CZ-OE2 3.42Å; R62-E162 VanDerWaalsContact CZ-OE2 3.23Å; R62-E162 IonicContact NE-OE1 2.66Å; R62-E162 PolarHBondContact NE-OE1 3.33Å; R62-E162 IonicContact NE-OE2 2.71Å; R62-E162 PolarHBondContact NE-OE2 3.44Å; R62-E162 IonicContact NH2-OE2 3.4Å; R62-E162 PolarHBondContact NH2-OE2 2.59Å; I63-E162 HydrophobicContact CD1-CG 4.26Å; I63-E162 HydrophobicContact CG1-CG 4.04Å; G130-E162 CarbonylContact O-C 3.54Å; G130-E162 VanDerWaalsContact O-CA 3.26Å; G130-E162 WeakPolarHBondContact O-CA 3.36Å
163V96Very high93.7Very high14 Ų1456.8 Ų56.89%0.08530%0.3CS..  trans-128.7142.3177.8-59.70000109.6G130 V132 I161 G165 F171 K192G130-V163 PolarHBondContact O-N 3.3Å; V132-V163 HydrophobicContact CG2-CG1 3.72Å; V132-V163 HydrophobicContact CG2-CG2 3.92Å; I161-V163 HydrophobicContact CD1-CG1 3.89Å; I161-V163 HydrophobicContact CG1-CG1 4.29Å; V163-G165 PolarHBondContact O-N 3.24Å; V163-F171 HydrophobicContact CG1-CE1 4.42Å; V163-F171 HydrophobicContact CG1-CE2 3.93Å; V163-F171 HydrophobicContact CG1-CZ 3.66Å; V163-K192 HydrophobicContact CG2-CG 4.41Å
164E92.3Very high93.3Very high146 Ų14656.4 Ų56.468%0.68230%0.302SS*.  trans-86.9109.4178.3-69-177.1-169.900110.5D166 Q167E164-D166 PolarHBondContact O-N 2.9Å; E164-Q167 VanDerWaalsContact O-CB 3.31Å; E164-Q167 WeakPolarHBondContact O-CB 3.23Å; E164-Q167 WeakPolarHBondContact O-CG 3.26Å; E164-Q167 PolarHBondContact O-N 3.05Å
165G91.9Very high93Very high51 Ų5157.1 Ų57.153%0.52631%0.311SS..THydrogen-bonded Turntrans57.4-121.2-178.400000111.7V163 K192V163-G165 PolarHBondContact O-N 3.24Å; G165-K192 VanDerWaalsContact O-CE 3.23Å; G165-K192 WeakPolarHBondContact O-CE 3.49Å; G165-K192 PolarHBondContact O-NZ 2.81Å
166D91.3Very high92.7Very high133 Ų13358.4 Ų58.471%0.71132%0.318SS*.THydrogen-bonded Turntrans-110.215.3176.3-61.9-41.1000112.8E164 Q168 K192E164-D166 PolarHBondContact O-N 2.9Å; D166-Q168 PolarHBondContact O-N 3.08Å; D166-K192 IonicContact OD1-NZ 3.22Å; D166-K192 PolarHBondContact OD1-NZ 3.02Å
167Q91Very high92.8Very high128 Ų12856.6 Ų56.660%0.59831%0.31SS*.  trans-62.4137.4176.7-66.4-1759.600111E164E164-Q167 VanDerWaalsContact O-CB 3.31Å; E164-Q167 WeakPolarHBondContact O-CB 3.23Å; E164-Q167 WeakPolarHBondContact O-CG 3.26Å; E164-Q167 PolarHBondContact O-N 3.05Å
168Q93.9Very high92.8Very high100 Ų10057.3 Ų57.347%0.46732%0.319SS..  trans-104.4139.9174.5-63.4-176-6.400109.6D166 P189 Y190D166-Q168 PolarHBondContact O-N 3.08Å; Q168-P189 HydrophobicContact CB-CB 4.09Å; Q168-Y190 WeakPolarHBondContact CA-O 3.38Å
169A95.5Very high93.2Very high41 Ų4157.8 Ų57.834%0.33932%0.316SS..BIsolated β-bridgetrans-145.9168.7175.300000110.6F171 Y190A169-F171 HydrophobicContact CB-CD2 4.36Å; A169-F171 HydrophobicContact CB-CE1 4.08Å; A169-F171 HydrophobicContact CB-CE2 3.8Å; A169-F171 HydrophobicContact CB-CZ 3.64Å; A169-F171 WeakPolarHBondContact O-CD2 3.37Å; A169-F171 WeakPolarHBondContact O-CE2 3.26Å; A169-F171 PolarHBondContact O-N 3.48Å; A169-Y190 PolarHBondContact N-O 3.2Å; A169-Y190 VanDerWaalsContact N-O 3.17Å; A169-Y190 PolarHBondContact O-N 3.16Å
170W96.8Very high93.6Very high112 Ų11255.2 Ų55.242%0.42430%0.302SS..  trans-8599.4171.3179.2-113.4000110.3G172 F173 K187 Y190W170-G172 VanDerWaalsContact C-N 3.28Å; W170-G172 PolarHBondContact O-N 2.84Å; W170-F173 HydrophobicContact CH2-CB 4.34Å; W170-F173 HydrophobicContact CZ2-CB 4.32Å; W170-K187 HydrophobicContact CH2-CB 3.89Å; W170-K187 HydrophobicContact CH2-CG 3.96Å; W170-K187 HydrophobicContact CZ2-CB 4.24Å; W170-K187 HydrophobicContact CZ2-CG 4.26Å; W170-K187 VanDerWaalsContact CZ3-CA 3.41Å; W170-K187 HydrophobicContact CZ3-CB 4.07Å; W170-Y190 AromaticContact CE3-CD1 3.95Å; W170-Y190 HydrophobicContact CE3-CD1 3.95Å; W170-Y190 AromaticContact CE3-CE1 3.77Å; W170-Y190 HydrophobicContact CE3-CE1 3.77Å; W170-Y190 HydrophobicContact CZ3-CD1 4Å; W170-Y190 AromaticContact CZ3-CE1 3.74Å; W170-Y190 HydrophobicContact CZ3-CE1 3.74Å
171F93.3Very high93.7Very high65 Ų6555.3 Ų55.329%0.28530%0.303SS..  trans-91.314179.8-56.2-82.5000113.7R134 I161 V163 A169 Y190R134-F171 VanDerWaalsContact NH1-CB 3.35Å; R134-F171 PolarHBondContact NH1-O 3.36Å; I161-F171 HydrophobicContact CD1-CB 3.73Å; I161-F171 HydrophobicContact CD1-CD1 3.64Å; I161-F171 HydrophobicContact CD1-CD2 3.3Å; I161-F171 HydrophobicContact CD1-CE1 3.98Å; I161-F171 HydrophobicContact CD1-CE2 3.66Å; I161-F171 HydrophobicContact CD1-CG 3.27Å; I161-F171 HydrophobicContact CD1-CZ 4Å; I161-F171 HydrophobicContact CG2-CB 4.47Å; V163-F171 HydrophobicContact CG1-CE1 4.42Å; V163-F171 HydrophobicContact CG1-CE2 3.93Å; V163-F171 HydrophobicContact CG1-CZ 3.66Å; A169-F171 HydrophobicContact CB-CD2 4.36Å; A169-F171 HydrophobicContact CB-CE1 4.08Å; A169-F171 HydrophobicContact CB-CE2 3.8Å; A169-F171 HydrophobicContact CB-CZ 3.64Å; A169-F171 WeakPolarHBondContact O-CD2 3.37Å; A169-F171 WeakPolarHBondContact O-CE2 3.26Å; A169-F171 PolarHBondContact O-N 3.48Å; F171-Y190 HydrophobicContact CB-CE1 4.42Å; F171-Y190 HydrophobicContact CB-CE2 4.13Å; F171-Y190 WeakPolarHBondContact CB-OH 3.24Å; F171-Y190 HydrophobicContact CD2-CD2 4.18Å; F171-Y190 AromaticContact CD2-CE2 3.87Å; F171-Y190 HydrophobicContact CD2-CE2 3.87Å; F171-Y190 VanDerWaalsContact CE2-O 3.3Å; F171-Y190 WeakPolarHBondContact CE2-O 3.19Å; F171-Y190 HydrophobicContact CG-CE2 4.48Å
172G91.6Very high93.9Very high23 Ų2355 Ų5524%0.23730%0.301CS..  trans87.5169.7-177.300000113.9W170 Y190W170-G172 VanDerWaalsContact C-N 3.28Å; W170-G172 PolarHBondContact O-N 2.84Å; G172-Y190 PolarHBondContact O-OH 2.72Å
173F91.6Very high94Very high103 Ų10351.6 Ų51.645%0.45229%0.285SS..SBendtrans-84.7110.6176.6-171.5-84.4000109.5W170 L180 V184 L185 Y222W170-F173 HydrophobicContact CH2-CB 4.34Å; W170-F173 HydrophobicContact CZ2-CB 4.32Å; F173-L180 HydrophobicContact CE1-CD1 4.04Å; F173-L180 HydrophobicContact CE2-CD1 4.18Å; F173-L180 HydrophobicContact CZ-CD1 3.53Å; F173-V184 HydrophobicContact CD2-CG1 4.21Å; F173-L185 HydrophobicContact CE2-CD2 3.73Å; F173-L185 HydrophobicContact CZ-CD2 4.03Å; F173-Y222 HydrophobicContact CZ-CE2 4.21Å
174A89.2Confident94.1Very high20 Ų2051.2 Ų51.217%0.16528%0.283CS..  trans-151.3148-178.900000110.1L159 L180L159-A174 HydrophobicContact CD1-CB 4.39Å; A174-L180 VanDerWaalsContact O-CD2 3.22Å; A174-L180 WeakPolarHBondContact O-CD2 3.4Å
175G91.1Very high94.2Very high20 Ų2045.2 Ų45.221%0.20626%0.255CS..SBendtrans122.9169.5-179.200000112.7
176T90.4Very high94.4Very high37 Ų3747.4 Ų47.423%0.22725%0.248CC..  trans-85.6129.6-177.7-59.30000111.1D135 K137 G178 Y179 L180D135-T176 WeakPolarHBondContact OD1-CB 3.29Å; D135-T176 PolarHBondContact OD1-N 3.28Å; D135-T176 PolarHBondContact OD1-OG1 3.11Å; K137-T176 HydrophobicContact CD-CG2 4.44Å; K137-T176 VanDerWaalsContact CD-OG1 3.3Å; K137-T176 WeakPolarHBondContact CD-OG1 3.49Å; K137-T176 PolarHBondContact NZ-OG1 3.42Å; T176-G178 PolarHBondContact O-N 3.05Å; T176-G178 VanDerWaalsContact O-N 3.08Å; T176-Y179 HydrophobicContact CG2-CD2 3.87Å; T176-Y179 HydrophobicContact CG2-CE2 4.2Å; T176-Y179 PolarHBondContact O-N 3.14Å; T176-L180 PolarHBondContact O-N 2.79Å
177P90.5Very high94.6Very high36 Ų3648.3 Ų48.323%0.23425%0.245CC..G310 helixtrans-44.5-46.8-168.1-35.437000117.7Y179 L221 Y222 I225P177-Y179 PolarHBondContact O-N 2.86Å; P177-L221 HydrophobicContact CB-CD2 4.03Å; P177-Y222 HydrophobicContact CB-CE1 3.94Å; P177-I225 VanDerWaalsContact O-CD1 3.27Å; P177-I225 WeakPolarHBondContact O-CD1 3.4Å
178G94.5Very high94.9Very high19 Ų1945.4 Ų45.420%0.19623%0.234CC..G310 helixtrans-73.7-9.7-178.600000115.4T176T176-G178 PolarHBondContact O-N 3.05Å; T176-G178 VanDerWaalsContact O-N 3.08Å
179Y98.2Very high95.1Very high26 Ų2644 Ų4410%0.10223%0.234CC..G310 helixtrans-114.1-3.3-179.1-55.1-87.9000112.2K137 P138 T176 P177 V201 I202 I205K137-Y179 HydrophobicContact CB-CD1 4.49Å; K137-Y179 HydrophobicContact CB-CD2 3.97Å; K137-Y179 HydrophobicContact CB-CE1 4.42Å; K137-Y179 HydrophobicContact CB-CE2 3.88Å; K137-Y179 HydrophobicContact CB-CG 4.29Å; P138-Y179 WeakPolarHBondContact CD-OH 3.49Å; P138-Y179 VanDerWaalsContact CG-OH 3.31Å; P138-Y179 WeakPolarHBondContact CG-OH 3.37Å; T176-Y179 HydrophobicContact CG2-CD2 3.87Å; T176-Y179 HydrophobicContact CG2-CE2 4.2Å; T176-Y179 PolarHBondContact O-N 3.14Å; P177-Y179 PolarHBondContact O-N 2.86Å; Y179-V201 HydrophobicContact CD1-CB 3.97Å; Y179-V201 HydrophobicContact CD1-CG1 3.52Å; Y179-V201 HydrophobicContact CE1-CB 4.35Å; Y179-V201 HydrophobicContact CE1-CG1 3.57Å; Y179-V201 HydrophobicContact CG-CG1 4.43Å; Y179-I202 HydrophobicContact CD1-CG1 4.32Å; Y179-I202 HydrophobicContact CE1-CG1 4.07Å; Y179-I205 HydrophobicContact CE1-CD1 4.04Å
180L98.3Very high95.2Very high5 Ų542.2 Ų42.23%0.02622%0.218CC..  trans-64.3137.8176.3-72.2174.5000110.3F173 A174 T176 V184 L185 W197 Y222 I225F173-L180 HydrophobicContact CE1-CD1 4.04Å; F173-L180 HydrophobicContact CE2-CD1 4.18Å; F173-L180 HydrophobicContact CZ-CD1 3.53Å; A174-L180 VanDerWaalsContact O-CD2 3.22Å; A174-L180 WeakPolarHBondContact O-CD2 3.4Å; T176-L180 PolarHBondContact O-N 2.79Å; L180-V184 HydrophobicContact CD2-CG1 4.08Å; L180-L185 HydrophobicContact CB-CD2 4.04Å; L180-L185 HydrophobicContact CB-CG 4.24Å; L180-L185 HydrophobicContact CD1-CD2 3.67Å; L180-L185 HydrophobicContact CG-CD2 4.49Å; L180-W197 PolarHBondContact O-NE1 3.3Å; L180-Y222 HydrophobicContact CD1-CE1 4.08Å; L180-I225 WeakPolarHBondContact O-CG2 3.37Å
181S98.7Very high95.3Very high2 Ų237 Ų371%0.01420%0.2CC..  trans-83.2157.9176.671.30000112.4E183 V184 L185 V194S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 VanDerWaalsContact CB-OE1 3.25Å; S181-E183 WeakPolarHBondContact CB-OE1 3.31Å; S181-E183 PolarHBondContact O-N 3.21Å; S181-E183 PolarHBondContact OG-OE1 3.26Å; S181-E183 PolarHBondContact OG-OE2 2.9Å; S181-V184 PolarHBondContact O-N 3.39Å; S181-V184 WeakPolarHBondContact OG-CG2 3.49Å; S181-L185 PolarHBondContact O-N 3.29Å; S181-V194 WeakPolarHBondContact OG-CG1 3.27Å
182P98.6Very high95.6Very high0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-55.9-42.9-178.9-27.936.1000113.4V184 L185 R186 W197 I225 I254P182-V184 VanDerWaalsContact C-N 3.34Å; P182-V184 PolarHBondContact O-N 2.87Å; P182-L185 PolarHBondContact O-N 3.24Å; P182-R186 WeakPolarHBondContact O-CG 3.45Å; P182-R186 PolarHBondContact O-N 2.86Å; P182-W197 HydrophobicContact CG-CD2 4.35Å; P182-W197 HydrophobicContact CG-CE3 4Å; P182-W197 HydrophobicContact CG-CH2 3.46Å; P182-W197 VanDerWaalsContact CG-CH2 3.46Å; P182-W197 HydrophobicContact CG-CZ2 3.85Å; P182-W197 HydrophobicContact CG-CZ3 3.53Å; P182-I225 HydrophobicContact CG-CG2 4.32Å; P182-I225 WeakPolarHBondContact CG-O 3.19Å; P182-I254 HydrophobicContact CB-CG2 4.21Å; P182-I254 HydrophobicContact CG-CG2 4.36Å
183E98.6Very high95.9Very high3 Ų336 Ų361%0.01419%0.192CC..Hα-helixtrans-64.3-35.3-179.160.8-83.3-173.300112.7S181 R186 K187 D188 V194 P256 R259S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 VanDerWaalsContact CB-OE1 3.25Å; S181-E183 WeakPolarHBondContact CB-OE1 3.31Å; S181-E183 PolarHBondContact O-N 3.21Å; S181-E183 PolarHBondContact OG-OE1 3.26Å; S181-E183 PolarHBondContact OG-OE2 2.9Å; E183-R186 PolarHBondContact O-N 3.21Å; E183-K187 PolarHBondContact O-N 3.32Å; E183-K187 VanDerWaalsContact O-N 3.12Å; E183-D188 HydrophobicContact CB-CB 4.15Å; E183-D188 PolarHBondContact O-N 2.94Å; E183-V194 HydrophobicContact CG-CG1 4.31Å; E183-V194 WeakPolarHBondContact OE1-CG1 3.38Å; E183-P256 HydrophobicContact CB-CG 4.38Å; E183-P256 HydrophobicContact CG-CG 4.3Å; E183-R259 IonicContact OE1-CZ 2.83Å; E183-R259 IonicContact OE1-NH1 3.62Å; E183-R259 PolarHBondContact OE1-NH1 3.12Å; E183-R259 IonicContact OE1-NH2 2.91Å; E183-R259 IonicContact OE2-CZ 3.67Å; E183-R259 IonicContact OE2-NH1 2.85Å; E183-R259 IonicContact OE2-NH2 2.7Å; E183-R259 PolarHBondContact OE2-NH2 3.14Å
184V98.1Very high96.2Very high5 Ų531.6 Ų31.63%0.0317%0.174CC..Hα-helixtrans-66.8-41.7173.7178.10000110.7F173 L180 S181 P182 K187 Y190 V194F173-V184 HydrophobicContact CD2-CG1 4.21Å; L180-V184 HydrophobicContact CD2-CG1 4.08Å; S181-V184 PolarHBondContact O-N 3.39Å; S181-V184 WeakPolarHBondContact OG-CG2 3.49Å; P182-V184 VanDerWaalsContact C-N 3.34Å; P182-V184 PolarHBondContact O-N 2.87Å; V184-K187 PolarHBondContact O-N 3.18Å; V184-Y190 HydrophobicContact CG2-CD1 3.85Å; V184-Y190 HydrophobicContact CG2-CD2 4.31Å; V184-Y190 HydrophobicContact CG2-CE1 3.97Å; V184-Y190 HydrophobicContact CG2-CE2 4.44Å; V184-Y190 HydrophobicContact CG2-CG 4Å; V184-V194 HydrophobicContact CG2-CG1 3.86Å
185L95.9Very high96.7Very high20 Ų2030.7 Ų30.711%0.10517%0.166CC..Hα-helixtrans-69.4-31178.4-64.1-177.3000113.1F173 L180 S181 P182 K187 Y222 I225 K226F173-L185 HydrophobicContact CE2-CD2 3.73Å; F173-L185 HydrophobicContact CZ-CD2 4.03Å; L180-L185 HydrophobicContact CB-CD2 4.04Å; L180-L185 HydrophobicContact CB-CG 4.24Å; L180-L185 HydrophobicContact CD1-CD2 3.67Å; L180-L185 HydrophobicContact CG-CD2 4.49Å; S181-L185 PolarHBondContact O-N 3.29Å; P182-L185 PolarHBondContact O-N 3.24Å; L185-K187 VanDerWaalsContact C-N 3.25Å; L185-Y222 HydrophobicContact CD1-CD1 3.87Å; L185-Y222 HydrophobicContact CD1-CG 4.03Å; L185-Y222 HydrophobicContact CD2-CD1 3.72Å; L185-Y222 HydrophobicContact CD2-CD2 4.12Å; L185-Y222 HydrophobicContact CD2-CE1 3.84Å; L185-Y222 HydrophobicContact CD2-CE2 4.23Å; L185-Y222 HydrophobicContact CD2-CG 3.86Å; L185-Y222 HydrophobicContact CG-CD1 4.48Å; L185-I225 HydrophobicContact CD1-CB 3.73Å; L185-I225 HydrophobicContact CD1-CD1 4.2Å; L185-I225 HydrophobicContact CD1-CG2 3.49Å; L185-I225 VanDerWaalsContact CD1-CG2 3.49Å; L185-K226 HydrophobicContact CB-CD 4.04Å; L185-K226 HydrophobicContact CB-CG 3.81Å; L185-K226 HydrophobicContact CD1-CG 4.09Å
186R96.4Very high97.1Very high97 Ų9729.9 Ų29.937%0.36616%0.157SC..Hα-helixtrans-78.1-11.2173.4-70.8-175.4-161.2118.92.5113.3P182 E183 D188 K226P182-R186 WeakPolarHBondContact O-CG 3.45Å; P182-R186 PolarHBondContact O-N 2.86Å; E183-R186 PolarHBondContact O-N 3.21Å; R186-D188 VanDerWaalsContact C-N 3.26Å; R186-D188 VanDerWaalsContact CB-OD2 3.3Å; R186-D188 WeakPolarHBondContact CB-OD2 3.22Å; R186-K226 HydrophobicContact CG-CD 4.05Å; R186-K226 HydrophobicContact CG-CG 4.28Å; R186-K226 PolarHBondContact NH2-O 2.94Å
187K95.5Very high97.5Very high152 Ų15228.1 Ų28.166%0.66115%0.146SC*.THydrogen-bonded Turntrans65.928.8-173.9-49.9177.1-179.9176.20113.4W170 E183 V184 L185W170-K187 HydrophobicContact CH2-CB 3.89Å; W170-K187 HydrophobicContact CH2-CG 3.96Å; W170-K187 HydrophobicContact CZ2-CB 4.24Å; W170-K187 HydrophobicContact CZ2-CG 4.26Å; W170-K187 VanDerWaalsContact CZ3-CA 3.41Å; W170-K187 HydrophobicContact CZ3-CB 4.07Å; E183-K187 PolarHBondContact O-N 3.32Å; E183-K187 VanDerWaalsContact O-N 3.12Å; V184-K187 PolarHBondContact O-N 3.18Å; L185-K187 VanDerWaalsContact C-N 3.25Å
188D96.9Very high97.9Very high68 Ų6826.6 Ų26.636%0.36414%0.137SC..  trans-77154.2174.1-59.6-32.2000109.5E183 R186 Y190E183-D188 HydrophobicContact CB-CB 4.15Å; E183-D188 PolarHBondContact O-N 2.94Å; R186-D188 VanDerWaalsContact C-N 3.26Å; R186-D188 VanDerWaalsContact CB-OD2 3.3Å; R186-D188 WeakPolarHBondContact CB-OD2 3.22Å; D188-Y190 PolarHBondContact O-N 3.13Å
189P97.6Very high98.1Very high71 Ų7125.7 Ų25.746%0.46113%0.127SC..  trans-53.9139165.2-23.534.6000110.6Q168Q168-P189 HydrophobicContact CB-CB 4.09Å
190Y98.3Very high98.1Very high2 Ų224.4 Ų24.41%0.00812%0.122CC..BIsolated β-bridgetrans-139.5173.2-177.666.1-97.7000111.5R134 I161 Q168 A169 W170 F171 G172 V184 D188 V194R134-Y190 HydrophobicContact CG-CE2 4.42Å; R134-Y190 PolarHBondContact NH1-OH 3.08Å; I161-Y190 HydrophobicContact CD1-CE2 4.41Å; Q168-Y190 WeakPolarHBondContact CA-O 3.38Å; A169-Y190 PolarHBondContact N-O 3.2Å; A169-Y190 VanDerWaalsContact N-O 3.17Å; A169-Y190 PolarHBondContact O-N 3.16Å; W170-Y190 AromaticContact CE3-CD1 3.95Å; W170-Y190 HydrophobicContact CE3-CD1 3.95Å; W170-Y190 AromaticContact CE3-CE1 3.77Å; W170-Y190 HydrophobicContact CE3-CE1 3.77Å; W170-Y190 HydrophobicContact CZ3-CD1 4Å; W170-Y190 AromaticContact CZ3-CE1 3.74Å; W170-Y190 HydrophobicContact CZ3-CE1 3.74Å; F171-Y190 HydrophobicContact CB-CE1 4.42Å; F171-Y190 HydrophobicContact CB-CE2 4.13Å; F171-Y190 WeakPolarHBondContact CB-OH 3.24Å; F171-Y190 HydrophobicContact CD2-CD2 4.18Å; F171-Y190 AromaticContact CD2-CE2 3.87Å; F171-Y190 HydrophobicContact CD2-CE2 3.87Å; F171-Y190 VanDerWaalsContact CE2-O 3.3Å; F171-Y190 WeakPolarHBondContact CE2-O 3.19Å; F171-Y190 HydrophobicContact CG-CE2 4.48Å; G172-Y190 PolarHBondContact O-OH 2.72Å; V184-Y190 HydrophobicContact CG2-CD1 3.85Å; V184-Y190 HydrophobicContact CG2-CD2 4.31Å; V184-Y190 HydrophobicContact CG2-CE1 3.97Å; V184-Y190 HydrophobicContact CG2-CE2 4.44Å; V184-Y190 HydrophobicContact CG2-CG 4Å; D188-Y190 PolarHBondContact O-N 3.13Å; Y190-V194 HydrophobicContact CD2-CG1 3.54Å; Y190-V194 HydrophobicContact CD2-CG2 4.42Å; Y190-V194 HydrophobicContact CE2-CG1 4.38Å; Y190-V194 HydrophobicContact CG-CG1 3.88Å
191G98Very high98.1Very high4 Ų424.2 Ų24.24%0.04112%0.121CC..  trans-161-143179.600000111A193 V194G191-A193 PolarHBondContact O-N 3.01Å; G191-V194 WeakPolarHBondContact O-CG1 3.4Å; G191-V194 WeakPolarHBondContact O-CG2 3.45Å; G191-V194 PolarHBondContact O-N 3.26Å
192K98.6Very high98.1Very high47 Ų4724.1 Ų24.120%0.20412%0.121CC..THydrogen-bonded Turntrans-49.5-34-175.6-66.5168.2-172.5168.80115.1H127 V132 V163 G165 D166 V194 D195H127-K192 HydrophobicContact CB-CD 3.99Å; H127-K192 HydrophobicContact CB-CG 4.25Å; H127-K192 PolarHBondContact CE1-O 3.3Å; H127-K192 VanDerWaalsContact O-CE 3.26Å; H127-K192 WeakPolarHBondContact O-CE 3.43Å; H127-K192 PolarHBondContact O-NZ 3.45Å; V132-K192 HydrophobicContact CG2-CB 4.48Å; V132-K192 HydrophobicContact CG2-CG 3.95Å; V163-K192 HydrophobicContact CG2-CG 4.41Å; G165-K192 VanDerWaalsContact O-CE 3.23Å; G165-K192 WeakPolarHBondContact O-CE 3.49Å; G165-K192 PolarHBondContact O-NZ 2.81Å; D166-K192 IonicContact OD1-NZ 3.22Å; D166-K192 PolarHBondContact OD1-NZ 3.02Å; K192-V194 PolarHBondContact O-N 3.01Å; K192-V194 VanDerWaalsContact O-N 3.11Å; K192-D195 PolarHBondContact O-N 2.9Å
193A98.7Very high98.2Very high20 Ų2024.1 Ų24.117%0.16512%0.121CC..Hα-helixtrans-60.5-22.3-176.400000114.4G191 D195 L196 W197 P256 R259G191-A193 PolarHBondContact O-N 3.01Å; A193-D195 VanDerWaalsContact C-N 3.27Å; A193-D195 PolarHBondContact O-N 3.03Å; A193-L196 PolarHBondContact O-N 3.41Å; A193-W197 PolarHBondContact O-N 3.34Å; A193-P256 HydrophobicContact CB-CB 3.72Å; A193-R259 WeakPolarHBondContact O-CD 3.3Å; A193-R259 PolarHBondContact O-NH1 2.66Å
194V98.8Very high98.2Very high10 Ų1024.1 Ų24.16%0.06112%0.12CC..Hα-helixtrans-63.5-34.4178.3-53.80000112V132 R134 S181 E183 V184 Y190 G191 K192 L196 W197 A198V132-V194 HydrophobicContact CG1-CG2 3.54Å; R134-V194 HydrophobicContact CG-CG2 4.27Å; S181-V194 WeakPolarHBondContact OG-CG1 3.27Å; E183-V194 HydrophobicContact CG-CG1 4.31Å; E183-V194 WeakPolarHBondContact OE1-CG1 3.38Å; V184-V194 HydrophobicContact CG2-CG1 3.86Å; Y190-V194 HydrophobicContact CD2-CG1 3.54Å; Y190-V194 HydrophobicContact CD2-CG2 4.42Å; Y190-V194 HydrophobicContact CE2-CG1 4.38Å; Y190-V194 HydrophobicContact CG-CG1 3.88Å; G191-V194 WeakPolarHBondContact O-CG1 3.4Å; G191-V194 WeakPolarHBondContact O-CG2 3.45Å; G191-V194 PolarHBondContact O-N 3.26Å; K192-V194 PolarHBondContact O-N 3.01Å; K192-V194 VanDerWaalsContact O-N 3.11Å; V194-L196 VanDerWaalsContact C-N 3.31Å; V194-L196 PolarHBondContact O-N 3.07Å; V194-W197 WeakPolarHBondContact O-CB 3.21Å; V194-W197 PolarHBondContact O-N 3.4Å; V194-A198 PolarHBondContact O-N 3.12Å
195D98.9Very high98.2Very high1 Ų123.9 Ų23.91%0.00512%0.119CC..Hα-helixtrans-68.4-34.4178.7-70.3-20.9000110.7V123 H127 V132 H133 R134 L136 K192 A193 A198 C199V123-D195 HydrophobicContact CG1-CB 4.09Å; H127-D195 IonicContact CD2-OD2 2.99Å; H127-D195 IonicContact CE1-OD2 3.66Å; H127-D195 IonicContact NE2-OD2 2.77Å; H127-D195 PolarHBondContact NE2-OD2 2.99Å; V132-D195 WeakPolarHBondContact CG1-OD2 3.36Å; H133-D195 PolarHBondContact N-OD1 3.36Å; H133-D195 PolarHBondContact N-OD2 3.35Å; R134-D195 PolarHBondContact N-OD1 3.25Å; L136-D195 HydrophobicContact CD1-CB 3.69Å; K192-D195 PolarHBondContact O-N 2.9Å; A193-D195 VanDerWaalsContact C-N 3.27Å; A193-D195 PolarHBondContact O-N 3.03Å; D195-A198 PolarHBondContact O-N 2.91Å; D195-C199 PolarHBondContact O-N 3.1Å; D195-C199 PolarHBondContact O-SG 3.32Å; D195-C199 VanDerWaalsContact O-SG 3.36Å
196L98.9Very high98.3Very high2 Ų222.9 Ų22.91%0.0111%0.114CC..Hα-helixtrans-72.2-30.8179.3-80-60.3000112.4L120 V123 H127 A193 V194 C199 G200 R259 I260 A262L120-L196 HydrophobicContact CD2-CD1 3.77Å; V123-L196 HydrophobicContact CG1-CD2 4.27Å; H127-L196 WeakPolarHBondContact CE1-CD2 3.39Å; A193-L196 PolarHBondContact O-N 3.41Å; V194-L196 VanDerWaalsContact C-N 3.31Å; V194-L196 PolarHBondContact O-N 3.07Å; L196-C199 PolarHBondContact O-N 2.9Å; L196-G200 PolarHBondContact O-N 2.89Å; L196-R259 HydrophobicContact CB-CG 4.42Å; L196-I260 VanDerWaalsContact CG-O 3.31Å; L196-I260 WeakPolarHBondContact CG-O 3.5Å; L196-A262 HydrophobicContact CD1-CB 4.2Å; L196-A262 HydrophobicContact CD2-CB 4.34Å
197W98.9Very high98.4Very high0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-61.6-49169.2178.5-87.7000110.8L180 P182 A193 V194 C199 G200 V201 F213 I225 L252L180-W197 PolarHBondContact O-NE1 3.3Å; P182-W197 HydrophobicContact CG-CD2 4.35Å; P182-W197 HydrophobicContact CG-CE3 4Å; P182-W197 HydrophobicContact CG-CH2 3.46Å; P182-W197 VanDerWaalsContact CG-CH2 3.46Å; P182-W197 HydrophobicContact CG-CZ2 3.85Å; P182-W197 HydrophobicContact CG-CZ3 3.53Å; A193-W197 PolarHBondContact O-N 3.34Å; V194-W197 WeakPolarHBondContact O-CB 3.21Å; V194-W197 PolarHBondContact O-N 3.4Å; W197-C199 VanDerWaalsContact C-N 3.32Å; W197-C199 PolarHBondContact O-N 3.22Å; W197-G200 WeakPolarHBondContact O-CA 3.35Å; W197-G200 PolarHBondContact O-N 3.26Å; W197-V201 PolarHBondContact O-N 3.17Å; W197-F213 HydrophobicContact CH2-CE2 4.18Å; W197-F213 AromaticContact CH2-CZ 3.87Å; W197-F213 HydrophobicContact CH2-CZ 3.87Å; W197-F213 HydrophobicContact CZ2-CD2 4.34Å; W197-F213 AromaticContact CZ2-CE2 3.4Å; W197-F213 HydrophobicContact CZ2-CE2 3.4Å; W197-F213 AromaticContact CZ2-CZ 3.54Å; W197-F213 HydrophobicContact CZ2-CZ 3.54Å; W197-I225 HydrophobicContact CZ2-CG2 3.79Å; W197-L252 HydrophobicContact CD2-CD2 3.97Å; W197-L252 HydrophobicContact CE3-CD2 4.15Å; W197-L252 HydrophobicContact CG-CD2 4.44Å; W197-L252 HydrophobicContact CZ2-CD2 4.34Å; W197-L252 HydrophobicContact CZ3-CB 4.27Å; W197-L252 HydrophobicContact CZ3-CD2 4.43Å; W197-L252 VanDerWaalsContact CZ3-O 3.28Å; W197-L252 WeakPolarHBondContact CZ3-O 3.31Å
198A98.9Very high98.4Very high4 Ų411.2 Ų11.23%0.0337%0.066CC..Hα-helixtrans-62.2-37.8177.800000112.2L136 V194 D195 G200 V201 I202L136-A198 HydrophobicContact CB-CB 3.73Å; V194-A198 PolarHBondContact O-N 3.12Å; D195-A198 PolarHBondContact O-N 2.91Å; A198-G200 VanDerWaalsContact C-N 3.3Å; A198-G200 PolarHBondContact O-N 2.92Å; A198-V201 PolarHBondContact O-N 2.82Å; A198-I202 WeakPolarHBondContact O-CB 3.5Å; A198-I202 WeakPolarHBondContact O-CD1 3.45Å; A198-I202 VanDerWaalsContact O-CG1 3.26Å; A198-I202 WeakPolarHBondContact O-CG1 3.22Å; A198-I202 PolarHBondContact O-N 3.16Å
199C98.9Very high98.2Very high0 Ų08 Ų80%05%0.049CC..Hα-helixtrans-58.9-39170.4-71.50000112.6L120 D195 L196 W197 I202 L203 M251L120-C199 HydrophobicContact CD2-CB 4.46Å; D195-C199 PolarHBondContact O-N 3.1Å; D195-C199 PolarHBondContact O-SG 3.32Å; D195-C199 VanDerWaalsContact O-SG 3.36Å; L196-C199 PolarHBondContact O-N 2.9Å; W197-C199 VanDerWaalsContact C-N 3.32Å; W197-C199 PolarHBondContact O-N 3.22Å; C199-I202 PolarHBondContact O-N 3.33Å; C199-L203 VanDerWaalsContact O-CB 3.3Å; C199-L203 WeakPolarHBondContact O-CB 3.43Å; C199-L203 PolarHBondContact O-N 2.53Å; C199-M251 HydrophobicContact CB-CE 4.34Å; C199-M251 HydrophobicContact CB-SD 3.92Å
200G98.9Very high97.8Very high0 Ų07.3 Ų7.30%04%0.038CC..Hα-helixtrans-63.1-43.4174.800000112.6L196 W197 A198 L203 Y204 M251L196-G200 PolarHBondContact O-N 2.89Å; W197-G200 WeakPolarHBondContact O-CA 3.35Å; W197-G200 PolarHBondContact O-N 3.26Å; A198-G200 VanDerWaalsContact C-N 3.3Å; A198-G200 PolarHBondContact O-N 2.92Å; G200-L203 PolarHBondContact O-N 3.07Å; G200-Y204 WeakPolarHBondContact O-CB 3.49Å; G200-Y204 PolarHBondContact O-N 2.68Å; G200-M251 VanDerWaalsContact CA-SD 3.59Å; G200-M251 PolarHBondContact N-SD 3.47Å; G200-M251 VanDerWaalsContact N-SD 3.44Å
201V98.9Very high97.7Very high1 Ų18.8 Ų8.81%0.0065%0.048CC..Hα-helixtrans-62-45.6174.2177.80000110.8Y179 W197 A198 Y204 I205 P212 F213 L252Y179-V201 HydrophobicContact CD1-CB 3.97Å; Y179-V201 HydrophobicContact CD1-CG1 3.52Å; Y179-V201 HydrophobicContact CE1-CB 4.35Å; Y179-V201 HydrophobicContact CE1-CG1 3.57Å; Y179-V201 HydrophobicContact CG-CG1 4.43Å; W197-V201 PolarHBondContact O-N 3.17Å; A198-V201 PolarHBondContact O-N 2.82Å; V201-Y204 PolarHBondContact O-N 2.86Å; V201-I205 HydrophobicContact CG1-CD1 4.1Å; V201-I205 VanDerWaalsContact O-CG1 3.3Å; V201-I205 WeakPolarHBondContact O-CG1 3.41Å; V201-I205 PolarHBondContact O-N 2.91Å; V201-I205 VanDerWaalsContact O-N 3.14Å; V201-P212 HydrophobicContact CB-CG 4.34Å; V201-P212 HydrophobicContact CG1-CG 4.08Å; V201-P212 HydrophobicContact CG2-CG 4.17Å; V201-F213 HydrophobicContact CG2-CD2 4.3Å; V201-F213 HydrophobicContact CG2-CE2 4.19Å; V201-L252 HydrophobicContact CG2-CD2 3.92Å
202I98.8Very high97.7Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-62.2-46.4177.8-70.7160.9000110.8F98 I116 I119 L136 L141 Y179 A198 C199 Y204 I205 L206F98-I202 HydrophobicContact CE2-CG2 4.48Å; F98-I202 HydrophobicContact CZ-CG2 4.23Å; I116-I202 HydrophobicContact CD1-CG2 4.34Å; I119-I202 HydrophobicContact CD1-CG2 4.26Å; L136-I202 HydrophobicContact CB-CD1 4.03Å; L141-I202 HydrophobicContact CD1-CD1 4.2Å; L141-I202 HydrophobicContact CD1-CG2 4Å; Y179-I202 HydrophobicContact CD1-CG1 4.32Å; Y179-I202 HydrophobicContact CE1-CG1 4.07Å; A198-I202 WeakPolarHBondContact O-CB 3.5Å; A198-I202 WeakPolarHBondContact O-CD1 3.45Å; A198-I202 VanDerWaalsContact O-CG1 3.26Å; A198-I202 WeakPolarHBondContact O-CG1 3.22Å; A198-I202 PolarHBondContact O-N 3.16Å; C199-I202 PolarHBondContact O-N 3.33Å; I202-Y204 VanDerWaalsContact C-N 3.33Å; I202-Y204 PolarHBondContact O-N 3.05Å; I202-I205 PolarHBondContact O-N 3.06Å; I202-L206 HydrophobicContact CG2-CD1 4Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CG 3.32Å; I202-L206 PolarHBondContact O-N 3.44Å
203L98.8Very high97.7Very high0 Ų07.1 Ų7.10%04%0.04CC..Hα-helixtrans-61.6-42.3179.3177.457.2000111.5I116 C199 G200 I205 L206 L207 L247 I248 M251 W270I116-L203 HydrophobicContact CB-CD1 4.3Å; I116-L203 HydrophobicContact CD1-CB 4.15Å; I116-L203 HydrophobicContact CG1-CB 4.33Å; I116-L203 HydrophobicContact CG1-CD1 4.35Å; I116-L203 HydrophobicContact CG2-CD1 4.31Å; C199-L203 VanDerWaalsContact O-CB 3.3Å; C199-L203 WeakPolarHBondContact O-CB 3.43Å; C199-L203 PolarHBondContact O-N 2.53Å; G200-L203 PolarHBondContact O-N 3.07Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.24Å; L203-L206 PolarHBondContact O-N 3.23Å; L203-L207 HydrophobicContact CD1-CD1 4.36Å; L203-L207 HydrophobicContact CD1-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CG 3.33Å; L203-L207 PolarHBondContact O-N 2.74Å; L203-L207 VanDerWaalsContact O-N 3.17Å; L203-L247 HydrophobicContact CD2-CB 4.35Å; L203-L247 HydrophobicContact CD2-CD2 3.78Å; L203-L247 HydrophobicContact CD2-CG 3.92Å; L203-I248 HydrophobicContact CB-CG1 4.36Å; L203-I248 HydrophobicContact CD2-CG1 3.72Å; L203-I248 HydrophobicContact CG-CD1 4.2Å; L203-I248 HydrophobicContact CG-CG1 3.81Å; L203-M251 HydrophobicContact CD2-SD 4.33Å; L203-W270 HydrophobicContact CD1-CH2 3.57Å; L203-W270 HydrophobicContact CD1-CZ3 3.52Å; L203-W270 HydrophobicContact CD2-CZ3 4.3Å
204Y98.8Very high97.3Very high2 Ų211 Ų111%0.0085%0.051CC..Hα-helixtrans-55.8-49.9173.9-170.1-72.2000111G200 V201 I202 L206 L207 V208 Y210 P212 Y230 D231 F232 W237 I248G200-Y204 WeakPolarHBondContact O-CB 3.49Å; G200-Y204 PolarHBondContact O-N 2.68Å; V201-Y204 PolarHBondContact O-N 2.86Å; I202-Y204 VanDerWaalsContact C-N 3.33Å; I202-Y204 PolarHBondContact O-N 3.05Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 3.08Å; Y204-L207 PolarHBondContact O-N 3.11Å; Y204-L207 VanDerWaalsContact O-N 3.12Å; Y204-V208 HydrophobicContact CD1-CG2 3.83Å; Y204-V208 HydrophobicContact CE1-CG2 3.53Å; Y204-V208 WeakPolarHBondContact O-CG2 3.37Å; Y204-V208 PolarHBondContact O-N 3.14Å; Y204-Y210 VanDerWaalsContact CD1-O 3.24Å; Y204-Y210 WeakPolarHBondContact CD1-O 3.45Å; Y204-Y210 AromaticContact CE1-CD2 3.85Å; Y204-Y210 HydrophobicContact CE1-CD2 3.85Å; Y204-Y210 AromaticContact CE1-CE2 3.56Å; Y204-Y210 HydrophobicContact CE1-CE2 3.56Å; Y204-Y210 WeakPolarHBondContact CE1-O 3.41Å; Y204-Y210 AromaticContact CZ-CE2 3.97Å; Y204-Y210 WeakPolarHBondContact OH-CE2 3.48Å; Y204-P212 HydrophobicContact CD1-CB 3.97Å; Y204-P212 HydrophobicContact CD1-CG 4.23Å; Y204-P212 HydrophobicContact CD2-CB 3.73Å; Y204-P212 HydrophobicContact CD2-CG 4.34Å; Y204-P212 HydrophobicContact CE1-CB 4.14Å; Y204-P212 HydrophobicContact CE2-CB 3.91Å; Y204-P212 HydrophobicContact CG-CB 3.78Å; Y204-P212 HydrophobicContact CG-CG 3.98Å; Y204-Y230 HydrophobicContact CE2-CD2 4.29Å; Y204-D231 WeakPolarHBondContact CE2-O 3.45Å; Y204-D231 PolarHBondContact OH-O 3.41Å; Y204-F232 HydrophobicContact CD2-CE1 4.13Å; Y204-F232 AromaticContact CE2-CD1 3.93Å; Y204-F232 HydrophobicContact CE2-CD1 3.93Å; Y204-F232 AromaticContact CE2-CE1 3.92Å; Y204-F232 HydrophobicContact CE2-CE1 3.92Å; Y204-W237 AromaticContact CD1-CZ2 3.87Å; Y204-W237 HydrophobicContact CD1-CZ2 3.87Å; Y204-W237 AromaticContact CD2-CH2 3.79Å; Y204-W237 HydrophobicContact CD2-CH2 3.79Å; Y204-W237 AromaticContact CD2-CZ2 3.53Å; Y204-W237 HydrophobicContact CD2-CZ2 3.53Å; Y204-W237 AromaticContact CE1-CZ2 3.63Å; Y204-W237 HydrophobicContact CE1-CZ2 3.63Å; Y204-W237 AromaticContact CE2-CE2 3.89Å; Y204-W237 AromaticContact CE2-CH2 3.91Å; Y204-W237 HydrophobicContact CE2-CH2 3.91Å; Y204-W237 AromaticContact CE2-CZ2 3.27Å; Y204-W237 HydrophobicContact CE2-CZ2 3.27Å; Y204-W237 HydrophobicContact CG-CH2 4.14Å; Y204-W237 AromaticContact CG-CZ2 3.81Å; Y204-W237 HydrophobicContact CG-CZ2 3.81Å; Y204-W237 AromaticContact CZ-CE2 3.7Å; Y204-W237 AromaticContact CZ-CZ2 3.31Å; Y204-W237 AromaticContact CZ-NE1 3.66Å; Y204-W237 PolarHBondContact OH-NE1 3.45Å; Y204-I248 HydrophobicContact CD2-CD1 4.29Å; Y204-I248 HydrophobicContact CD2-CG2 4.19Å
205I98.2Very high96.7Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-64.6-38.2179.1-57.2160.7000111.1F98 Y179 V201 I202 L203 L207 G209 P211 L290 F293F98-I205 HydrophobicContact CD1-CG2 4.46Å; F98-I205 HydrophobicContact CE1-CB 4.22Å; F98-I205 HydrophobicContact CE1-CG2 3.64Å; F98-I205 HydrophobicContact CZ-CG2 4.43Å; Y179-I205 HydrophobicContact CE1-CD1 4.04Å; V201-I205 HydrophobicContact CG1-CD1 4.1Å; V201-I205 VanDerWaalsContact O-CG1 3.3Å; V201-I205 WeakPolarHBondContact O-CG1 3.41Å; V201-I205 PolarHBondContact O-N 2.91Å; V201-I205 VanDerWaalsContact O-N 3.14Å; I202-I205 PolarHBondContact O-N 3.06Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.24Å; I205-L207 PolarHBondContact O-N 2.84Å; I205-G209 WeakPolarHBondContact O-CA 3.48Å; I205-G209 PolarHBondContact O-N 3.42Å; I205-P211 HydrophobicContact CD1-CB 4.21Å; I205-P211 HydrophobicContact CG1-CB 4.21Å; I205-L290 HydrophobicContact CG2-CD1 3.71Å; I205-F293 HydrophobicContact CD1-CE2 4.35Å; I205-F293 HydrophobicContact CD1-CZ 3.97Å; I205-F293 HydrophobicContact CG2-CD1 4.22Å; I205-F293 HydrophobicContact CG2-CE1 4.05Å; I205-F293 HydrophobicContact CG2-CZ 4.24Å
206L98Very high95.6Very high0 Ų017.8 Ų17.80%08%0.083CC..Hα-helixtrans-59.3-30.6176.1-73.5172.4000112.1F98 I101 Y107 A112 C115 I116 I202 L203 Y204F98-L206 HydrophobicContact CE1-CD2 4.03Å; F98-L206 HydrophobicContact CE1-CG 4.49Å; F98-L206 HydrophobicContact CE2-CD2 4.3Å; F98-L206 HydrophobicContact CZ-CD2 3.8Å; F98-L206 HydrophobicContact CZ-CG 4.09Å; I101-L206 HydrophobicContact CD1-CD2 3.5Å; I101-L206 VanDerWaalsContact CD1-CD2 3.5Å; Y107-L206 WeakPolarHBondContact CE1-O 3.49Å; Y107-L206 PolarHBondContact OH-O 2.74Å; A112-L206 HydrophobicContact CB-CB 4.19Å; C115-L206 HydrophobicContact CB-CD1 4.31Å; I116-L206 HydrophobicContact CD1-CD1 4.49Å; I202-L206 HydrophobicContact CG2-CD1 4Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CG 3.32Å; I202-L206 PolarHBondContact O-N 3.44Å; L203-L206 PolarHBondContact O-N 3.23Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 3.08Å
207L98.2Very high94.5Very high1 Ų121 Ų211%0.00510%0.1CC..Hα-helixtrans-87.7-31.6-176.5-66.6179.5000114.9E109 A112 L203 Y204 I205 W237 V240 A244 I248 W270 R283 T286E109-L207 HydrophobicContact CG-CD2 3.99Å; A112-L207 HydrophobicContact CB-CD2 3.81Å; L203-L207 HydrophobicContact CD1-CD1 4.36Å; L203-L207 HydrophobicContact CD1-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CG 3.33Å; L203-L207 PolarHBondContact O-N 2.74Å; L203-L207 VanDerWaalsContact O-N 3.17Å; Y204-L207 PolarHBondContact O-N 3.11Å; Y204-L207 VanDerWaalsContact O-N 3.12Å; I205-L207 PolarHBondContact O-N 2.84Å; L207-W237 HydrophobicContact CB-CH2 4.16Å; L207-W237 HydrophobicContact CD1-CH2 4.13Å; L207-W237 HydrophobicContact CD1-CZ3 4.07Å; L207-V240 HydrophobicContact CD1-CG1 4.08Å; L207-A244 HydrophobicContact CD1-CB 3.76Å; L207-I248 HydrophobicContact CD1-CD1 3.78Å; L207-W270 HydrophobicContact CD2-CH2 4.01Å; L207-W270 HydrophobicContact CD2-CZ2 3.81Å; L207-R283 PolarHBondContact O-NE 3.49Å; L207-R283 VanDerWaalsContact O-NE 3.14Å; L207-T286 VanDerWaalsContact O-CG2 3.31Å; L207-T286 WeakPolarHBondContact O-CG2 3.35Å; L207-T286 PolarHBondContact O-OG1 2.82Å
208V96.1Very high93.6Very high3 Ų326.1 Ų26.12%0.01812%0.124CC..Hα-helixtrans-131.2-7.7-173.9-630000115.2Y204 Y210 E236 W237 C289Y204-V208 HydrophobicContact CD1-CG2 3.83Å; Y204-V208 HydrophobicContact CE1-CG2 3.53Å; Y204-V208 WeakPolarHBondContact O-CG2 3.37Å; Y204-V208 PolarHBondContact O-N 3.14Å; V208-Y210 HydrophobicContact CB-CD1 4.15Å; V208-Y210 HydrophobicContact CB-CE1 3.71Å; V208-Y210 HydrophobicContact CG2-CD1 3.91Å; V208-Y210 HydrophobicContact CG2-CD2 4.21Å; V208-Y210 HydrophobicContact CG2-CE1 3.63Å; V208-Y210 HydrophobicContact CG2-CE2 3.92Å; V208-Y210 HydrophobicContact CG2-CG 4.19Å; V208-Y210 WeakPolarHBondContact O-CD1 3.39Å; V208-Y210 PolarHBondContact O-N 3.19Å; V208-E236 HydrophobicContact CB-CG 4.43Å; V208-E236 HydrophobicContact CG1-CB 4.43Å; V208-E236 HydrophobicContact CG1-CG 4.16Å; V208-W237 HydrophobicContact CB-CZ2 4.18Å; V208-W237 HydrophobicContact CG1-CD2 3.85Å; V208-W237 HydrophobicContact CG1-CE3 4.48Å; V208-W237 HydrophobicContact CG1-CG 4.23Å; V208-W237 HydrophobicContact CG1-CH2 4.26Å; V208-W237 HydrophobicContact CG1-CZ2 3.59Å; V208-W237 HydrophobicContact CG2-CZ2 3.49Å; V208-W237 VanDerWaalsContact CG2-CZ2 3.49Å; V208-C289 WeakPolarHBondContact O-CB 3.34Å
209G92.9Very high92.7Very high1 Ų131.2 Ų31.21%0.0115%0.147CC..SBendtrans82.76.4170.900000115.5I205 C289 F293I205-G209 WeakPolarHBondContact O-CA 3.48Å; I205-G209 PolarHBondContact O-N 3.42Å; G209-C289 CarbonylContact O-C 3.56Å; G209-F293 WeakPolarHBondContact O-CB 3.34Å
210Y90.3Very high92Very high55 Ų5537.4 Ų37.422%0.21617%0.171CC..SBendtrans-136.3155.3174.460.9-100.4000111.2Y204 V208 P233 E236 W237Y204-Y210 VanDerWaalsContact CD1-O 3.24Å; Y204-Y210 WeakPolarHBondContact CD1-O 3.45Å; Y204-Y210 AromaticContact CE1-CD2 3.85Å; Y204-Y210 HydrophobicContact CE1-CD2 3.85Å; Y204-Y210 AromaticContact CE1-CE2 3.56Å; Y204-Y210 HydrophobicContact CE1-CE2 3.56Å; Y204-Y210 WeakPolarHBondContact CE1-O 3.41Å; Y204-Y210 AromaticContact CZ-CE2 3.97Å; Y204-Y210 WeakPolarHBondContact OH-CE2 3.48Å; V208-Y210 HydrophobicContact CB-CD1 4.15Å; V208-Y210 HydrophobicContact CB-CE1 3.71Å; V208-Y210 HydrophobicContact CG2-CD1 3.91Å; V208-Y210 HydrophobicContact CG2-CD2 4.21Å; V208-Y210 HydrophobicContact CG2-CE1 3.63Å; V208-Y210 HydrophobicContact CG2-CE2 3.92Å; V208-Y210 HydrophobicContact CG2-CG 4.19Å; V208-Y210 WeakPolarHBondContact O-CD1 3.39Å; V208-Y210 PolarHBondContact O-N 3.19Å; Y210-P233 WeakPolarHBondContact OH-CG 3.42Å; Y210-E236 HydrophobicContact CE1-CG 3.97Å; Y210-E236 VanDerWaalsContact CE1-OE1 3.31Å; Y210-E236 WeakPolarHBondContact CE1-OE1 3.22Å; Y210-E236 VanDerWaalsContact CZ-OE1 3.25Å; Y210-E236 WeakPolarHBondContact OH-CG 3.33Å; Y210-E236 PolarHBondContact OH-OE1 2.86Å; Y210-W237 AromaticContact CZ-NE1 3.9Å; Y210-W237 PolarHBondContact OH-NE1 3.48Å
211P96.1Very high91.6Very high33 Ų3338.1 Ų38.121%0.21417%0.174CC..  trans-77.4150-17631.4-36000113I205 F213 W214 F293I205-P211 HydrophobicContact CD1-CB 4.21Å; I205-P211 HydrophobicContact CG1-CB 4.21Å; P211-F213 VanDerWaalsContact C-N 3.3Å; P211-F213 PolarHBondContact O-N 3Å; P211-W214 HydrophobicContact CG-CB 4.14Å; P211-F293 HydrophobicContact CG-CE2 4.41Å
212P98.1Very high91.4Very high13 Ų1339.7 Ų39.78%0.08418%0.18CC..SBendtrans-70.4-24176.926.8-33.1000113.6V201 Y204 Y230 L252V201-P212 HydrophobicContact CB-CG 4.34Å; V201-P212 HydrophobicContact CG1-CG 4.08Å; V201-P212 HydrophobicContact CG2-CG 4.17Å; Y204-P212 HydrophobicContact CD1-CB 3.97Å; Y204-P212 HydrophobicContact CD1-CG 4.23Å; Y204-P212 HydrophobicContact CD2-CB 3.73Å; Y204-P212 HydrophobicContact CD2-CG 4.34Å; Y204-P212 HydrophobicContact CE1-CB 4.14Å; Y204-P212 HydrophobicContact CE2-CB 3.91Å; Y204-P212 HydrophobicContact CG-CB 3.78Å; Y204-P212 HydrophobicContact CG-CG 3.98Å; P212-Y230 HydrophobicContact CB-CG 4.36Å; P212-L252 HydrophobicContact CB-CD1 4.4Å; P212-L252 HydrophobicContact CG-CD1 4.36Å
213F97.2Very high91.1Very high3 Ų344.4 Ų44.41%0.01320%0.202CC..SBendtrans-126.4124.6179.1-48.8-70.8000109.2W197 V201 P211 L221 Q224 I225 Y230 L252W197-F213 HydrophobicContact CH2-CE2 4.18Å; W197-F213 AromaticContact CH2-CZ 3.87Å; W197-F213 HydrophobicContact CH2-CZ 3.87Å; W197-F213 HydrophobicContact CZ2-CD2 4.34Å; W197-F213 AromaticContact CZ2-CE2 3.4Å; W197-F213 HydrophobicContact CZ2-CE2 3.4Å; W197-F213 AromaticContact CZ2-CZ 3.54Å; W197-F213 HydrophobicContact CZ2-CZ 3.54Å; V201-F213 HydrophobicContact CG2-CD2 4.3Å; V201-F213 HydrophobicContact CG2-CE2 4.19Å; P211-F213 VanDerWaalsContact C-N 3.3Å; P211-F213 PolarHBondContact O-N 3Å; F213-L221 HydrophobicContact CB-CD1 3.77Å; F213-Q224 HydrophobicContact CD1-CB 4.21Å; F213-I225 HydrophobicContact CB-CD1 4.49Å; F213-I225 HydrophobicContact CB-CG1 3.79Å; F213-I225 HydrophobicContact CD1-CG1 4.25Å; F213-I225 HydrophobicContact CD2-CG1 3.92Å; F213-I225 HydrophobicContact CG-CG1 3.71Å; F213-Y230 AromaticContact CE1-CD1 3.89Å; F213-Y230 HydrophobicContact CE1-CD1 3.89Å; F213-Y230 HydrophobicContact CE1-CG 4.29Å; F213-Y230 AromaticContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CG 4.24Å; F213-L252 HydrophobicContact CE2-CD1 4.39Å; F213-L252 HydrophobicContact CE2-CD2 4.32Å; F213-L252 HydrophobicContact CZ-CD1 4.41Å
214W90Very high91Very high102 Ų10246.9 Ų46.939%0.38621%0.214SC..  trans-157.1135.1178.6-169.872.9000111.9P211 E216 Q224 R296P211-W214 HydrophobicContact CG-CB 4.14Å; W214-E216 HydrophobicContact CH2-CG 3.35Å; W214-E216 HydrophobicContact CZ2-CG 3.61Å; W214-E216 HydrophobicContact CZ3-CG 4.36Å; W214-Q224 VanDerWaalsContact N-OE1 3.15Å; W214-Q224 PolarHBondContact O-NE2 2.97Å; W214-Q224 VanDerWaalsContact O-NE2 3.09Å; W214-Q224 PolarHBondContact O-OE1 3.36Å; W214-R296 VanDerWaalsContact CH2-NH2 3.32Å; W214-R296 VanDerWaalsContact CZ2-CZ 3.42Å; W214-R296 VanDerWaalsContact CZ2-NH1 3.32Å
215D85.9Confident91Very high33 Ų3346.8 Ų46.818%0.17621%0.213CC..  trans-154.1154.6168.7-156.6-71.5000108.1D217 R220 L221 Q224D215-D217 VanDerWaalsContact C-N 3.34Å; D215-D217 WeakPolarHBondContact OD1-CB 3.42Å; D215-D217 PolarHBondContact OD1-N 3.29Å; D215-R220 HydrophobicContact CB-CB 4.03Å; D215-R220 VanDerWaalsContact CG-CB 3.44Å; D215-R220 IonicContact OD1-CZ 3.56Å; D215-R220 IonicContact OD1-NE 3.54Å; D215-R220 PolarHBondContact OD1-NE 2.79Å; D215-R220 VanDerWaalsContact OD1-NE 3.08Å; D215-R220 IonicContact OD1-NH2 3.52Å; D215-R220 VanDerWaalsContact OD2-CB 3.29Å; D215-R220 WeakPolarHBondContact OD2-CB 3.34Å; D215-R220 IonicContact OD2-NE 2.84Å; D215-R220 PolarHBondContact OD2-NE 3.21Å; D215-L221 HydrophobicContact CB-CB 4.06Å; D215-Q224 PolarHBondContact OD2-NE2 3.48Å
216E75.8Confident91Very high121 Ų12150.1 Ų50.157%0.56523%0.228SC*.SBendtrans-72.9-33.7170.8-62.2-169.1164.400110.9W214 R344W214-E216 HydrophobicContact CH2-CG 3.35Å; W214-E216 HydrophobicContact CZ2-CG 3.61Å; W214-E216 HydrophobicContact CZ3-CG 4.36Å; E216-R344 IonicContact OE1-CZ 3.78Å; E216-R344 IonicContact OE1-NH1 3.15Å; E216-R344 PolarHBondContact OE1-NH1 3.3Å; E216-R344 IonicContact OE1-NH2 2.71Å; E216-R344 IonicContact OE2-NH1 2.79Å; E216-R344 PolarHBondContact OE2-NH1 3.2Å
217D75.9Confident90.9Very high69 Ų6953.1 Ų53.137%0.36925%0.253SS..SBendtrans-83.9113.9173.1-173.7-32.3000109.9D215 H219 R220 L221D215-D217 VanDerWaalsContact C-N 3.34Å; D215-D217 WeakPolarHBondContact OD1-CB 3.42Å; D215-D217 PolarHBondContact OD1-N 3.29Å; D217-H219 PolarHBondContact O-N 2.62Å; D217-H219 WeakPolarHBondContact OD1-CA 3.3Å; D217-H219 WeakPolarHBondContact OD1-CB 3.42Å; D217-H219 PolarHBondContact OD1-N 3.05Å; D217-R220 HydrophobicContact CB-CB 4.16Å; D217-R220 HydrophobicContact CB-CG 4.15Å; D217-R220 PolarHBondContact O-N 2.99Å; D217-R220 VanDerWaalsContact O-N 3.08Å; D217-R220 PolarHBondContact OD1-N 3.05Å; D217-L221 PolarHBondContact O-N 3.42Å
218Q81Confident90.9Very high108 Ų10853.9 Ų53.951%0.50526%0.26SS..Hα-helixtrans-58.7-31.1179.7-165.2-179.5-75.200113Y222Q218-Y222 HydrophobicContact CG-CD1 4.48Å; Q218-Y222 HydrophobicContact CG-CD2 4.48Å; Q218-Y222 HydrophobicContact CG-CE1 3.92Å; Q218-Y222 HydrophobicContact CG-CE2 3.92Å; Q218-Y222 PolarHBondContact NE2-OH 3.23Å; Q218-Y222 WeakPolarHBondContact O-CD1 3.43Å; Q218-Y222 PolarHBondContact O-N 3.39Å
219H79.4Confident91Very high111 Ų11156.3 Ų56.351%0.51428%0.281SS..Hα-helixtrans-67.4-43.6176.1-17280.1000111.4D217 Y222 Q223D217-H219 PolarHBondContact O-N 2.62Å; D217-H219 WeakPolarHBondContact OD1-CA 3.3Å; D217-H219 WeakPolarHBondContact OD1-CB 3.42Å; D217-H219 PolarHBondContact OD1-N 3.05Å; H219-Y222 PolarHBondContact O-N 3.23Å; H219-Q223 PolarHBondContact CD2-NE2 3.39Å; H219-Q223 VanDerWaalsContact CD2-NE2 3.3Å; H219-Q223 PolarHBondContact NE2-NE2 3.44Å; H219-Q223 WeakPolarHBondContact O-CG 3.27Å; H219-Q223 PolarHBondContact O-N 3.1Å
220R83.6Confident91.3Very high130 Ų13058.7 Ų58.749%0.49129%0.29SS..Hα-helixtrans-65.4-42.1175.3-72.5-168-76.5-147.5-13.6111.7D215 D217 Y222 Q223 Q224D215-R220 HydrophobicContact CB-CB 4.03Å; D215-R220 VanDerWaalsContact CG-CB 3.44Å; D215-R220 IonicContact OD1-CZ 3.56Å; D215-R220 IonicContact OD1-NE 3.54Å; D215-R220 PolarHBondContact OD1-NE 2.79Å; D215-R220 VanDerWaalsContact OD1-NE 3.08Å; D215-R220 IonicContact OD1-NH2 3.52Å; D215-R220 VanDerWaalsContact OD2-CB 3.29Å; D215-R220 WeakPolarHBondContact OD2-CB 3.34Å; D215-R220 IonicContact OD2-NE 2.84Å; D215-R220 PolarHBondContact OD2-NE 3.21Å; D217-R220 HydrophobicContact CB-CB 4.16Å; D217-R220 HydrophobicContact CB-CG 4.15Å; D217-R220 PolarHBondContact O-N 2.99Å; D217-R220 VanDerWaalsContact O-N 3.08Å; D217-R220 PolarHBondContact OD1-N 3.05Å; R220-Y222 VanDerWaalsContact C-N 3.29Å; R220-Y222 PolarHBondContact O-N 2.72Å; R220-Q223 WeakPolarHBondContact O-CA 2.99Å; R220-Q223 WeakPolarHBondContact O-CB 3.31Å; R220-Q223 PolarHBondContact O-N 3.35Å; R220-Q224 WeakPolarHBondContact O-CG 3.16Å; R220-Q224 PolarHBondContact O-N 3.31Å
221L91.9Very high91.6Very high14 Ų1461 Ų617%0.07331%0.306CS..Hα-helixtrans-53.4-47.9171.4172.962000111.3P177 F213 D215 D217 Q223 Q224 I225P177-L221 HydrophobicContact CB-CD2 4.03Å; F213-L221 HydrophobicContact CB-CD1 3.77Å; D215-L221 HydrophobicContact CB-CB 4.06Å; D217-L221 PolarHBondContact O-N 3.42Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 2.9Å; L221-Q224 PolarHBondContact O-N 3.28Å; L221-I225 HydrophobicContact CD1-CD1 3.98Å; L221-I225 HydrophobicContact CD1-CG1 4.31Å; L221-I225 HydrophobicContact CG-CD1 3.99Å; L221-I225 WeakPolarHBondContact O-CG1 3.45Å; L221-I225 PolarHBondContact O-N 3.45Å
222Y94.9Very high91.7Very high35 Ų3561.9 Ų61.914%0.13731%0.307CS..Hα-helixtrans-65.3-30.7177.9-68.2-11.3000113.3F173 P177 L180 L185 Q218 H219 R220 I225 K226F173-Y222 HydrophobicContact CZ-CE2 4.21Å; P177-Y222 HydrophobicContact CB-CE1 3.94Å; L180-Y222 HydrophobicContact CD1-CE1 4.08Å; L185-Y222 HydrophobicContact CD1-CD1 3.87Å; L185-Y222 HydrophobicContact CD1-CG 4.03Å; L185-Y222 HydrophobicContact CD2-CD1 3.72Å; L185-Y222 HydrophobicContact CD2-CD2 4.12Å; L185-Y222 HydrophobicContact CD2-CE1 3.84Å; L185-Y222 HydrophobicContact CD2-CE2 4.23Å; L185-Y222 HydrophobicContact CD2-CG 3.86Å; L185-Y222 HydrophobicContact CG-CD1 4.48Å; Q218-Y222 HydrophobicContact CG-CD1 4.48Å; Q218-Y222 HydrophobicContact CG-CD2 4.48Å; Q218-Y222 HydrophobicContact CG-CE1 3.92Å; Q218-Y222 HydrophobicContact CG-CE2 3.92Å; Q218-Y222 PolarHBondContact NE2-OH 3.23Å; Q218-Y222 WeakPolarHBondContact O-CD1 3.43Å; Q218-Y222 PolarHBondContact O-N 3.39Å; H219-Y222 PolarHBondContact O-N 3.23Å; R220-Y222 VanDerWaalsContact C-N 3.29Å; R220-Y222 PolarHBondContact O-N 2.72Å; Y222-I225 HydrophobicContact CD1-CD1 4.46Å; Y222-K226 WeakPolarHBondContact O-CB 3.49Å; Y222-K226 WeakPolarHBondContact O-CE 3.29Å; Y222-K226 VanDerWaalsContact O-CG 3.26Å; Y222-K226 WeakPolarHBondContact O-CG 3.42Å; Y222-K226 PolarHBondContact O-N 3.49Å
223Q91.9Very high91.6Very high99 Ų9963 Ų6346%0.46331%0.314SS..Hα-helixtrans-67.9-45172.7-70.5179.6-6.700111.5H219 R220 L221 I225 K226 A227H219-Q223 PolarHBondContact CD2-NE2 3.39Å; H219-Q223 VanDerWaalsContact CD2-NE2 3.3Å; H219-Q223 PolarHBondContact NE2-NE2 3.44Å; H219-Q223 WeakPolarHBondContact O-CG 3.27Å; H219-Q223 PolarHBondContact O-N 3.1Å; R220-Q223 WeakPolarHBondContact O-CA 2.99Å; R220-Q223 WeakPolarHBondContact O-CB 3.31Å; R220-Q223 PolarHBondContact O-N 3.35Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 2.9Å; Q223-I225 PolarHBondContact O-N 3.31Å; Q223-K226 PolarHBondContact O-N 2.98Å; Q223-A227 WeakPolarHBondContact O-CB 3.4Å; Q223-A227 PolarHBondContact O-N 3.19Å
224Q96.9Very high91.5Very high51 Ų5166.8 Ų66.824%0.23834%0.341CS..Hα-helixtrans-57-50.1175.5-65.8173.915.900111.2F213 W214 D215 R220 L221 K226 A227 G228 A229F213-Q224 HydrophobicContact CD1-CB 4.21Å; W214-Q224 VanDerWaalsContact N-OE1 3.15Å; W214-Q224 PolarHBondContact O-NE2 2.97Å; W214-Q224 VanDerWaalsContact O-NE2 3.09Å; W214-Q224 PolarHBondContact O-OE1 3.36Å; D215-Q224 PolarHBondContact OD2-NE2 3.48Å; R220-Q224 WeakPolarHBondContact O-CG 3.16Å; R220-Q224 PolarHBondContact O-N 3.31Å; L221-Q224 PolarHBondContact O-N 3.28Å; Q224-K226 PolarHBondContact O-N 3.14Å; Q224-A227 CarbonylContact O-C 3.53Å; Q224-A227 PolarHBondContact O-N 3Å; Q224-G228 PolarHBondContact O-N 3.19Å; Q224-A229 PolarHBondContact O-N 3.45Å
225I98.4Very high91.7Very high0 Ų065.8 Ų65.80%035%0.348CS..Hα-helixtrans-59-50.4178.5-67.2169.2000110.7P177 L180 P182 L185 W197 F213 L221 Y222 Q223 A227 G228P177-I225 VanDerWaalsContact O-CD1 3.27Å; P177-I225 WeakPolarHBondContact O-CD1 3.4Å; L180-I225 WeakPolarHBondContact O-CG2 3.37Å; P182-I225 HydrophobicContact CG-CG2 4.32Å; P182-I225 WeakPolarHBondContact CG-O 3.19Å; L185-I225 HydrophobicContact CD1-CB 3.73Å; L185-I225 HydrophobicContact CD1-CD1 4.2Å; L185-I225 HydrophobicContact CD1-CG2 3.49Å; L185-I225 VanDerWaalsContact CD1-CG2 3.49Å; W197-I225 HydrophobicContact CZ2-CG2 3.79Å; F213-I225 HydrophobicContact CB-CD1 4.49Å; F213-I225 HydrophobicContact CB-CG1 3.79Å; F213-I225 HydrophobicContact CD1-CG1 4.25Å; F213-I225 HydrophobicContact CD2-CG1 3.92Å; F213-I225 HydrophobicContact CG-CG1 3.71Å; L221-I225 HydrophobicContact CD1-CD1 3.98Å; L221-I225 HydrophobicContact CD1-CG1 4.31Å; L221-I225 HydrophobicContact CG-CD1 3.99Å; L221-I225 WeakPolarHBondContact O-CG1 3.45Å; L221-I225 PolarHBondContact O-N 3.45Å; Y222-I225 HydrophobicContact CD1-CD1 4.46Å; Q223-I225 PolarHBondContact O-N 3.31Å; I225-A227 PolarHBondContact O-N 3.19Å; I225-G228 PolarHBondContact O-N 3.13Å
226K97.6Very high92Very high71 Ų7166.4 Ų66.431%0.30935%0.349SS..Hα-helixtrans-61.9-29.5179.4-77.3-177.7-63.7178.10113.1L185 R186 Y222 Q223 Q224L185-K226 HydrophobicContact CB-CD 4.04Å; L185-K226 HydrophobicContact CB-CG 3.81Å; L185-K226 HydrophobicContact CD1-CG 4.09Å; R186-K226 HydrophobicContact CG-CD 4.05Å; R186-K226 HydrophobicContact CG-CG 4.28Å; R186-K226 PolarHBondContact NH2-O 2.94Å; Y222-K226 WeakPolarHBondContact O-CB 3.49Å; Y222-K226 WeakPolarHBondContact O-CE 3.29Å; Y222-K226 VanDerWaalsContact O-CG 3.26Å; Y222-K226 WeakPolarHBondContact O-CG 3.42Å; Y222-K226 PolarHBondContact O-N 3.49Å; Q223-K226 PolarHBondContact O-N 2.98Å; Q224-K226 PolarHBondContact O-N 3.14Å
227A97.4Very high93Very high63 Ų6360.7 Ų60.752%0.52132%0.323SS..Hα-helixtrans-84-11.3176.400000112.9Q223 Q224 I225 A229 I254Q223-A227 WeakPolarHBondContact O-CB 3.4Å; Q223-A227 PolarHBondContact O-N 3.19Å; Q224-A227 CarbonylContact O-C 3.53Å; Q224-A227 PolarHBondContact O-N 3Å; I225-A227 PolarHBondContact O-N 3.19Å; A227-A229 HydrophobicContact CB-CB 4.11Å; A227-A229 PolarHBondContact O-N 3.16Å; A227-I254 WeakPolarHBondContact O-CD1 3.37Å
228G97.8Very high94Very high16 Ų1662.2 Ų62.217%0.16533%0.331CS..THydrogen-bonded Turntrans58.633.4-168.300000111.8Q224 I225 Y230Q224-G228 PolarHBondContact O-N 3.19Å; I225-G228 PolarHBondContact O-N 3.13Å; G228-Y230 WeakPolarHBondContact O-CD1 3.42Å; G228-Y230 PolarHBondContact O-N 3.42Å; G228-Y230 VanDerWaalsContact O-N 3.07Å
229A97.4Very high94.8Very high55 Ų5560.4 Ų60.446%0.45533%0.327SS..  trans-82.582.8-176.600000110.4Q224 A227Q224-A229 PolarHBondContact O-N 3.45Å; A227-A229 HydrophobicContact CB-CB 4.11Å; A227-A229 PolarHBondContact O-N 3.16Å
230Y98.5Very high95.7Very high50 Ų5055.4 Ų55.420%0.19631%0.305CS..  trans-130160.2167.169.3-82.2000108.6Y204 P212 F213 G228 F232 I248 N249 L252Y204-Y230 HydrophobicContact CE2-CD2 4.29Å; P212-Y230 HydrophobicContact CB-CG 4.36Å; F213-Y230 AromaticContact CE1-CD1 3.89Å; F213-Y230 HydrophobicContact CE1-CD1 3.89Å; F213-Y230 HydrophobicContact CE1-CG 4.29Å; F213-Y230 AromaticContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CG 4.24Å; G228-Y230 WeakPolarHBondContact O-CD1 3.42Å; G228-Y230 PolarHBondContact O-N 3.42Å; G228-Y230 VanDerWaalsContact O-N 3.07Å; Y230-F232 HydrophobicContact CD2-CZ 4.43Å; Y230-F232 HydrophobicContact CE2-CE1 4.23Å; Y230-F232 HydrophobicContact CE2-CE2 4.16Å; Y230-F232 AromaticContact CE2-CZ 3.75Å; Y230-F232 HydrophobicContact CE2-CZ 3.75Å; Y230-I248 HydrophobicContact CE2-CG2 4.17Å; Y230-N249 WeakPolarHBondContact OH-CA 3.08Å; Y230-N249 PolarHBondContact OH-OD1 3.31Å; Y230-L252 HydrophobicContact CD1-CB 4.36Å; Y230-L252 HydrophobicContact CD1-CD1 3.93Å; Y230-L252 HydrophobicContact CD2-CD1 4.16Å; Y230-L252 HydrophobicContact CE1-CB 3.59Å; Y230-L252 HydrophobicContact CE1-CD1 3.82Å; Y230-L252 HydrophobicContact CE1-CG 4.37Å; Y230-L252 HydrophobicContact CE2-CD1 4.07Å; Y230-L252 HydrophobicContact CG-CD1 4.1Å
231D97.7Very high96.4Very high103 Ų10350.2 Ų50.255%0.55129%0.287SS*.  trans-135.9-173.5177.961.1-7.4000111Y204Y204-D231 WeakPolarHBondContact CE2-O 3.45Å; Y204-D231 PolarHBondContact OH-O 3.41Å
232F98.5Very high96.7Very high52 Ų5253.9 Ų53.923%0.22831%0.312CS..  trans-128.675.6176.9-62.2-60.9000108.3Y204 Y230 W237 K245 I248 N249Y204-F232 HydrophobicContact CD2-CE1 4.13Å; Y204-F232 AromaticContact CE2-CD1 3.93Å; Y204-F232 HydrophobicContact CE2-CD1 3.93Å; Y204-F232 AromaticContact CE2-CE1 3.92Å; Y204-F232 HydrophobicContact CE2-CE1 3.92Å; Y230-F232 HydrophobicContact CD2-CZ 4.43Å; Y230-F232 HydrophobicContact CE2-CE1 4.23Å; Y230-F232 HydrophobicContact CE2-CE2 4.16Å; Y230-F232 AromaticContact CE2-CZ 3.75Å; Y230-F232 HydrophobicContact CE2-CZ 3.75Å; F232-W237 HydrophobicContact CB-CB 3.88Å; F232-W237 HydrophobicContact CB-CD2 3.9Å; F232-W237 HydrophobicContact CB-CE3 4.23Å; F232-W237 HydrophobicContact CB-CG 3.73Å; F232-W237 AromaticContact CD1-CD2 3.5Å; F232-W237 HydrophobicContact CD1-CD2 3.5Å; F232-W237 VanDerWaalsContact CD1-CD2 3.5Å; F232-W237 AromaticContact CD1-CE2 3.68Å; F232-W237 AromaticContact CD1-CE3 3.39Å; F232-W237 HydrophobicContact CD1-CE3 3.39Å; F232-W237 HydrophobicContact CD1-CG 4.24Å; F232-W237 AromaticContact CD1-CH2 3.74Å; F232-W237 HydrophobicContact CD1-CH2 3.74Å; F232-W237 AromaticContact CD1-CZ2 3.84Å; F232-W237 HydrophobicContact CD1-CZ2 3.84Å; F232-W237 AromaticContact CD1-CZ3 3.5Å; F232-W237 HydrophobicContact CD1-CZ3 3.5Å; F232-W237 VanDerWaalsContact CD1-CZ3 3.5Å; F232-W237 HydrophobicContact CE1-CD2 4.44Å; F232-W237 HydrophobicContact CE1-CE3 4.01Å; F232-W237 AromaticContact CE1-CH2 3.76Å; F232-W237 HydrophobicContact CE1-CH2 3.76Å; F232-W237 HydrophobicContact CE1-CZ2 4.2Å; F232-W237 AromaticContact CE1-CZ3 3.63Å; F232-W237 HydrophobicContact CE1-CZ3 3.63Å; F232-W237 HydrophobicContact CG-CD2 4.12Å; F232-W237 HydrophobicContact CG-CE3 4.1Å; F232-W237 HydrophobicContact CG-CG 4.47Å; F232-K245 HydrophobicContact CD1-CG 4.25Å; F232-K245 HydrophobicContact CD2-CB 4.41Å; F232-K245 HydrophobicContact CD2-CD 4.19Å; F232-K245 HydrophobicContact CD2-CG 4.27Å; F232-K245 HydrophobicContact CE1-CB 4.39Å; F232-K245 HydrophobicContact CE1-CG 4.18Å; F232-K245 HydrophobicContact CE2-CB 3.93Å; F232-K245 HydrophobicContact CE2-CG 4.22Å; F232-K245 HydrophobicContact CG-CD 4.24Å; F232-K245 HydrophobicContact CG-CG 4.27Å; F232-K245 HydrophobicContact CZ-CB 3.9Å; F232-K245 HydrophobicContact CZ-CG 4.16Å; F232-I248 HydrophobicContact CE1-CB 4.43Å; F232-I248 HydrophobicContact CE1-CD1 4.25Å; F232-I248 HydrophobicContact CE1-CG2 4.01Å; F232-I248 HydrophobicContact CZ-CB 4.26Å; F232-I248 HydrophobicContact CZ-CG2 3.94Å; F232-N249 WeakPolarHBondContact CE2-OD1 3.49Å; F232-N249 WeakPolarHBondContact CZ-OD1 3.38Å
233P95.9Very high96.9Very high38 Ų3855.8 Ų55.825%0.24732%0.322CS..  trans-70.2145.5-169.228.5-36.8000112.9Y210 W237Y210-P233 WeakPolarHBondContact OH-CG 3.42Å; P233-W237 WeakPolarHBondContact O-CB 3.27Å; P233-W237 VanDerWaalsContact O-CD1 3.25Å; P233-W237 PolarHBondContact O-N 3.07Å
234S94.4Very high97.2Very high81 Ų8151.1 Ų51.157%0.56630%0.3SS*.THydrogen-bonded Turntrans-77151.1170.6-56.60000110.8D238S234-D238 WeakPolarHBondContact CB-OD1 3.28Å; S234-D238 WeakPolarHBondContact CB-OD2 3.41Å; S234-D238 PolarHBondContact OG-OD1 3.06Å; S234-D238 PolarHBondContact OG-OD2 2.88Å
235P94.6Very high97.3Very high82 Ų8250.9 Ų50.953%0.53230%0.299SS..THydrogen-bonded Turncis-89.6-18.44.734.6-36.6000115.3W237 D238P235-W237 VanDerWaalsContact C-N 3.26Å; P235-W237 PolarHBondContact O-N 3.02Å; P235-W237 VanDerWaalsContact O-N 3.16Å; P235-D238 WeakPolarHBondContact O-CB 3.12Å; P235-D238 PolarHBondContact O-N 2.96Å
236E92Very high97.3Very high46 Ų4653.8 Ų53.822%0.21531%0.314CS..THydrogen-bonded Turntrans-62-31.3-167.357.4-91.1-154.600113.8V208 Y210 T239 R283V208-E236 HydrophobicContact CB-CG 4.43Å; V208-E236 HydrophobicContact CG1-CB 4.43Å; V208-E236 HydrophobicContact CG1-CG 4.16Å; Y210-E236 HydrophobicContact CE1-CG 3.97Å; Y210-E236 VanDerWaalsContact CE1-OE1 3.31Å; Y210-E236 WeakPolarHBondContact CE1-OE1 3.22Å; Y210-E236 VanDerWaalsContact CZ-OE1 3.25Å; Y210-E236 WeakPolarHBondContact OH-CG 3.33Å; Y210-E236 PolarHBondContact OH-OE1 2.86Å; E236-T239 PolarHBondContact O-OG1 2.71Å; E236-R283 PolarHBondContact O-NH2 2.93Å
237W97.7Very high97.4Very high0 Ų050.4 Ų50.40%030%0.299CS..THydrogen-bonded Turntrans-85.5-11.3177.9-75.194.8000114.1Y204 L207 V208 Y210 F232 P233 P235 T239 V240 K245 I248Y204-W237 AromaticContact CD1-CZ2 3.87Å; Y204-W237 HydrophobicContact CD1-CZ2 3.87Å; Y204-W237 AromaticContact CD2-CH2 3.79Å; Y204-W237 HydrophobicContact CD2-CH2 3.79Å; Y204-W237 AromaticContact CD2-CZ2 3.53Å; Y204-W237 HydrophobicContact CD2-CZ2 3.53Å; Y204-W237 AromaticContact CE1-CZ2 3.63Å; Y204-W237 HydrophobicContact CE1-CZ2 3.63Å; Y204-W237 AromaticContact CE2-CE2 3.89Å; Y204-W237 AromaticContact CE2-CH2 3.91Å; Y204-W237 HydrophobicContact CE2-CH2 3.91Å; Y204-W237 AromaticContact CE2-CZ2 3.27Å; Y204-W237 HydrophobicContact CE2-CZ2 3.27Å; Y204-W237 HydrophobicContact CG-CH2 4.14Å; Y204-W237 AromaticContact CG-CZ2 3.81Å; Y204-W237 HydrophobicContact CG-CZ2 3.81Å; Y204-W237 AromaticContact CZ-CE2 3.7Å; Y204-W237 AromaticContact CZ-CZ2 3.31Å; Y204-W237 AromaticContact CZ-NE1 3.66Å; Y204-W237 PolarHBondContact OH-NE1 3.45Å; L207-W237 HydrophobicContact CB-CH2 4.16Å; L207-W237 HydrophobicContact CD1-CH2 4.13Å; L207-W237 HydrophobicContact CD1-CZ3 4.07Å; V208-W237 HydrophobicContact CB-CZ2 4.18Å; V208-W237 HydrophobicContact CG1-CD2 3.85Å; V208-W237 HydrophobicContact CG1-CE3 4.48Å; V208-W237 HydrophobicContact CG1-CG 4.23Å; V208-W237 HydrophobicContact CG1-CH2 4.26Å; V208-W237 HydrophobicContact CG1-CZ2 3.59Å; V208-W237 HydrophobicContact CG2-CZ2 3.49Å; V208-W237 VanDerWaalsContact CG2-CZ2 3.49Å; Y210-W237 AromaticContact CZ-NE1 3.9Å; Y210-W237 PolarHBondContact OH-NE1 3.48Å; F232-W237 HydrophobicContact CB-CB 3.88Å; F232-W237 HydrophobicContact CB-CD2 3.9Å; F232-W237 HydrophobicContact CB-CE3 4.23Å; F232-W237 HydrophobicContact CB-CG 3.73Å; F232-W237 AromaticContact CD1-CD2 3.5Å; F232-W237 HydrophobicContact CD1-CD2 3.5Å; F232-W237 VanDerWaalsContact CD1-CD2 3.5Å; F232-W237 AromaticContact CD1-CE2 3.68Å; F232-W237 AromaticContact CD1-CE3 3.39Å; F232-W237 HydrophobicContact CD1-CE3 3.39Å; F232-W237 HydrophobicContact CD1-CG 4.24Å; F232-W237 AromaticContact CD1-CH2 3.74Å; F232-W237 HydrophobicContact CD1-CH2 3.74Å; F232-W237 AromaticContact CD1-CZ2 3.84Å; F232-W237 HydrophobicContact CD1-CZ2 3.84Å; F232-W237 AromaticContact CD1-CZ3 3.5Å; F232-W237 HydrophobicContact CD1-CZ3 3.5Å; F232-W237 VanDerWaalsContact CD1-CZ3 3.5Å; F232-W237 HydrophobicContact CE1-CD2 4.44Å; F232-W237 HydrophobicContact CE1-CE3 4.01Å; F232-W237 AromaticContact CE1-CH2 3.76Å; F232-W237 HydrophobicContact CE1-CH2 3.76Å; F232-W237 HydrophobicContact CE1-CZ2 4.2Å; F232-W237 AromaticContact CE1-CZ3 3.63Å; F232-W237 HydrophobicContact CE1-CZ3 3.63Å; F232-W237 HydrophobicContact CG-CD2 4.12Å; F232-W237 HydrophobicContact CG-CE3 4.1Å; F232-W237 HydrophobicContact CG-CG 4.47Å; P233-W237 WeakPolarHBondContact O-CB 3.27Å; P233-W237 VanDerWaalsContact O-CD1 3.25Å; P233-W237 PolarHBondContact O-N 3.07Å; P235-W237 VanDerWaalsContact C-N 3.26Å; P235-W237 PolarHBondContact O-N 3.02Å; P235-W237 VanDerWaalsContact O-N 3.16Å; W237-T239 PolarHBondContact O-N 3.28Å; W237-V240 HydrophobicContact CD2-CG2 4.32Å; W237-V240 HydrophobicContact CE3-CB 3.72Å; W237-V240 HydrophobicContact CE3-CG1 3.7Å; W237-V240 HydrophobicContact CE3-CG2 3.77Å; W237-V240 HydrophobicContact CZ3-CB 4.23Å; W237-V240 HydrophobicContact CZ3-CG1 3.69Å; W237-V240 HydrophobicContact CZ3-CG2 4.27Å; W237-V240 PolarHBondContact O-N 2.82Å; W237-V240 VanDerWaalsContact O-N 3.1Å; W237-K245 HydrophobicContact CE3-CD 4.43Å; W237-K245 HydrophobicContact CE3-CG 3.96Å; W237-K245 HydrophobicContact CZ3-CG 4.04Å; W237-K245 WeakPolarHBondContact O-CE 3.49Å; W237-K245 PolarHBondContact O-NZ 3.02Å; W237-I248 HydrophobicContact CH2-CD1 3.51Å; W237-I248 HydrophobicContact CZ3-CD1 3.89Å
238D96.8Very high97.5Very high102 Ų10247.4 Ų47.455%0.54528%0.275SS..THydrogen-bonded Turntrans-64.9-30.5-177.8-65.2-14.2000111.5S234 P235S234-D238 WeakPolarHBondContact CB-OD1 3.28Å; S234-D238 WeakPolarHBondContact CB-OD2 3.41Å; S234-D238 PolarHBondContact OG-OD1 3.06Å; S234-D238 PolarHBondContact OG-OD2 2.88Å; P235-D238 WeakPolarHBondContact O-CB 3.12Å; P235-D238 PolarHBondContact O-N 2.96Å
239T96.6Very high97.5Very high70 Ų7049.5 Ų49.543%0.42928%0.282SS..THydrogen-bonded Turntrans-91.4-2.9178.861.80000113.6E236 W237 M281 R283E236-T239 PolarHBondContact O-OG1 2.71Å; W237-T239 PolarHBondContact O-N 3.28Å; T239-M281 HydrophobicContact CG2-CE 3.91Å; T239-R283 PolarHBondContact OG1-NH1 3.09Å
240V98.3Very high97.6Very high6 Ų650.5 Ų50.54%0.03628%0.276CS..SBendtrans-84.2130.8179.2178.20000110.2E109 L207 W237 A244 K245 R283E109-V240 WeakPolarHBondContact OE1-CA 3.1Å; L207-V240 HydrophobicContact CD1-CG1 4.08Å; W237-V240 HydrophobicContact CD2-CG2 4.32Å; W237-V240 HydrophobicContact CE3-CB 3.72Å; W237-V240 HydrophobicContact CE3-CG1 3.7Å; W237-V240 HydrophobicContact CE3-CG2 3.77Å; W237-V240 HydrophobicContact CZ3-CB 4.23Å; W237-V240 HydrophobicContact CZ3-CG1 3.69Å; W237-V240 HydrophobicContact CZ3-CG2 4.27Å; W237-V240 PolarHBondContact O-N 2.82Å; W237-V240 VanDerWaalsContact O-N 3.1Å; V240-A244 HydrophobicContact CG1-CB 3.71Å; V240-K245 HydrophobicContact CG1-CG 4.23Å; V240-K245 WeakPolarHBondContact O-CE 3.46Å; V240-R283 VanDerWaalsContact CG2-NH2 3.27Å
241T98.6Very high97.6Very high21 Ų2148.1 Ų48.113%0.12927%0.267CS..  trans-58.6144-176.460.30000112.2E109 E243 A244 K245 W270E109-T241 PolarHBondContact OE1-N 2.94Å; E109-T241 WeakPolarHBondContact OE2-CB 3.33Å; E109-T241 VanDerWaalsContact OE2-CG2 3.28Å; E109-T241 WeakPolarHBondContact OE2-CG2 3.29Å; E109-T241 PolarHBondContact OE2-OG1 2.71Å; T241-E243 PolarHBondContact O-N 2.75Å; T241-A244 WeakPolarHBondContact O-CB 3.44Å; T241-A244 PolarHBondContact O-N 2.69Å; T241-A244 VanDerWaalsContact O-N 3.17Å; T241-A244 WeakPolarHBondContact OG1-CB 3.4Å; T241-A244 PolarHBondContact OG1-N 2.98Å; T241-K245 PolarHBondContact O-N 3.22Å; T241-W270 PolarHBondContact OG1-NE1 3.26Å
242P98.7Very high97.7Very high91 Ų9143.4 Ų43.459%0.59124%0.242SC*.Hα-helixtrans-54.9-35.2174.8-25.834.9000112.9K245 D246P242-K245 PolarHBondContact O-N 2.88Å; P242-D246 WeakPolarHBondContact O-CB 3.18Å; P242-D246 PolarHBondContact O-N 3.43Å
243E98.8Very high97.7Very high75 Ų7542.8 Ų42.835%0.3524%0.242SC..Hα-helixtrans-71.1-31.5-178.7-63.175.7-167.200112.5T241 L247 H268 W270 V277T241-E243 PolarHBondContact O-N 2.75Å; E243-L247 PolarHBondContact O-N 3.09Å; E243-H268 PolarHBondContact O-CE1 2.94Å; E243-H268 VanDerWaalsContact O-CE1 3.26Å; E243-W270 HydrophobicContact CB-CB 3.94Å; E243-W270 HydrophobicContact CB-CG 4.35Å; E243-V277 HydrophobicContact CB-CG1 3.59Å; E243-V277 HydrophobicContact CG-CG1 3.54Å
244A98.8Very high97.8Very high0 Ų043.7 Ų43.70%024%0.244CC..Hα-helixtrans-64.9-47.3171.200000110.8L207 V240 T241 D246 L247 I248 W270L207-A244 HydrophobicContact CD1-CB 3.76Å; V240-A244 HydrophobicContact CG1-CB 3.71Å; T241-A244 WeakPolarHBondContact O-CB 3.44Å; T241-A244 PolarHBondContact O-N 2.69Å; T241-A244 VanDerWaalsContact O-N 3.17Å; T241-A244 WeakPolarHBondContact OG1-CB 3.4Å; T241-A244 PolarHBondContact OG1-N 2.98Å; A244-D246 VanDerWaalsContact C-N 3.34Å; A244-D246 PolarHBondContact O-N 3.01Å; A244-L247 PolarHBondContact O-N 3.04Å; A244-I248 WeakPolarHBondContact O-CG1 3.28Å; A244-I248 PolarHBondContact O-N 3.08Å; A244-W270 HydrophobicContact CB-CD2 4.15Å; A244-W270 HydrophobicContact CB-CG 4.29Å; A244-W270 HydrophobicContact CB-CZ2 4.01Å
245K98.9Very high98Very high47 Ų4743.4 Ų43.420%0.20424%0.236CC..Hα-helixtrans-61.9-41.5177.3-64.9175.5-176.7172.40111.4F232 W237 V240 T241 P242 I248 N249F232-K245 HydrophobicContact CD1-CG 4.25Å; F232-K245 HydrophobicContact CD2-CB 4.41Å; F232-K245 HydrophobicContact CD2-CD 4.19Å; F232-K245 HydrophobicContact CD2-CG 4.27Å; F232-K245 HydrophobicContact CE1-CB 4.39Å; F232-K245 HydrophobicContact CE1-CG 4.18Å; F232-K245 HydrophobicContact CE2-CB 3.93Å; F232-K245 HydrophobicContact CE2-CG 4.22Å; F232-K245 HydrophobicContact CG-CD 4.24Å; F232-K245 HydrophobicContact CG-CG 4.27Å; F232-K245 HydrophobicContact CZ-CB 3.9Å; F232-K245 HydrophobicContact CZ-CG 4.16Å; W237-K245 HydrophobicContact CE3-CD 4.43Å; W237-K245 HydrophobicContact CE3-CG 3.96Å; W237-K245 HydrophobicContact CZ3-CG 4.04Å; W237-K245 WeakPolarHBondContact O-CE 3.49Å; W237-K245 PolarHBondContact O-NZ 3.02Å; V240-K245 HydrophobicContact CG1-CG 4.23Å; V240-K245 WeakPolarHBondContact O-CE 3.46Å; T241-K245 PolarHBondContact O-N 3.22Å; P242-K245 PolarHBondContact O-N 2.88Å; K245-I248 PolarHBondContact O-N 3.37Å; K245-N249 PolarHBondContact O-N 3.21Å; K245-N249 PolarHBondContact O-ND2 3.48Å
246D98.9Very high98.2Very high61 Ų6140.8 Ų40.833%0.32622%0.219SC..Hα-helixtrans-62-44176.7179.951.5000112.1P242 A244 I248 N249 K250 H268P242-D246 WeakPolarHBondContact O-CB 3.18Å; P242-D246 PolarHBondContact O-N 3.43Å; A244-D246 VanDerWaalsContact C-N 3.34Å; A244-D246 PolarHBondContact O-N 3.01Å; D246-I248 PolarHBondContact O-N 3.3Å; D246-N249 PolarHBondContact O-N 2.76Å; D246-K250 WeakPolarHBondContact O-CB 3.22Å; D246-K250 WeakPolarHBondContact O-CG 3.49Å; D246-K250 PolarHBondContact O-N 3.31Å; D246-K250 WeakPolarHBondContact OD1-CE 3.47Å; D246-K250 IonicContact OD1-NZ 3.57Å; D246-K250 VanDerWaalsContact OD2-CE 3.31Å; D246-K250 WeakPolarHBondContact OD2-CE 3.41Å; D246-K250 IonicContact OD2-NZ 2.6Å; D246-K250 PolarHBondContact OD2-NZ 2.9Å; D246-H268 IonicContact OD2-CE1 3.33Å; D246-H268 IonicContact OD2-NE2 3.03Å; D246-H268 PolarHBondContact OD2-NE2 2.78Å
247L98.9Very high98.5Very high0 Ų042.7 Ų42.70%024%0.243CC..Hα-helixtrans-62.4-42.7174.8-176.257.3000112L203 E243 A244 N249 K250 M251 I260 A265 H268 W270 I271L203-L247 HydrophobicContact CD2-CB 4.35Å; L203-L247 HydrophobicContact CD2-CD2 3.78Å; L203-L247 HydrophobicContact CD2-CG 3.92Å; E243-L247 PolarHBondContact O-N 3.09Å; A244-L247 PolarHBondContact O-N 3.04Å; L247-N249 PolarHBondContact O-N 3.25Å; L247-K250 PolarHBondContact O-N 3.29Å; L247-M251 HydrophobicContact CD1-CE 3.95Å; L247-M251 HydrophobicContact CD2-CE 4.29Å; L247-M251 HydrophobicContact CG-CE 4.03Å; L247-M251 WeakPolarHBondContact O-CG 3.42Å; L247-M251 PolarHBondContact O-N 3.01Å; L247-I260 HydrophobicContact CD1-CD1 4.12Å; L247-A265 HydrophobicContact CD1-CB 4.24Å; L247-H268 HydrophobicContact CD1-CB 3.94Å; L247-W270 HydrophobicContact CD2-CE3 3.84Å; L247-W270 HydrophobicContact CD2-CZ3 4.46Å; L247-I271 HydrophobicContact CD2-CD1 3.62Å; L247-I271 HydrophobicContact CD2-CG1 3.98Å
248I98.9Very high98.5Very high0 Ų050.5 Ų50.50%028%0.277CS..Hα-helixtrans-58.7-47.4174.2-71.6171.8000110.6L203 Y204 L207 Y230 F232 W237 A244 K245 D246 K250 M251 L252L203-I248 HydrophobicContact CB-CG1 4.36Å; L203-I248 HydrophobicContact CD2-CG1 3.72Å; L203-I248 HydrophobicContact CG-CD1 4.2Å; L203-I248 HydrophobicContact CG-CG1 3.81Å; Y204-I248 HydrophobicContact CD2-CD1 4.29Å; Y204-I248 HydrophobicContact CD2-CG2 4.19Å; L207-I248 HydrophobicContact CD1-CD1 3.78Å; Y230-I248 HydrophobicContact CE2-CG2 4.17Å; F232-I248 HydrophobicContact CE1-CB 4.43Å; F232-I248 HydrophobicContact CE1-CD1 4.25Å; F232-I248 HydrophobicContact CE1-CG2 4.01Å; F232-I248 HydrophobicContact CZ-CB 4.26Å; F232-I248 HydrophobicContact CZ-CG2 3.94Å; W237-I248 HydrophobicContact CH2-CD1 3.51Å; W237-I248 HydrophobicContact CZ3-CD1 3.89Å; A244-I248 WeakPolarHBondContact O-CG1 3.28Å; A244-I248 PolarHBondContact O-N 3.08Å; K245-I248 PolarHBondContact O-N 3.37Å; D246-I248 PolarHBondContact O-N 3.3Å; I248-K250 VanDerWaalsContact C-N 3.3Å; I248-K250 PolarHBondContact O-N 3.22Å; I248-M251 PolarHBondContact O-N 2.98Å; I248-M251 VanDerWaalsContact O-N 3.12Å; I248-L252 HydrophobicContact CG2-CD1 3.68Å; I248-L252 HydrophobicContact CG2-CG 4.14Å; I248-L252 WeakPolarHBondContact O-CB 3.38Å; I248-L252 PolarHBondContact O-N 2.83Å
249N98.9Very high98.6Very high59 Ų5946.2 Ų46.232%0.31625%0.253SS..Hα-helixtrans-59.7-40.9178.9-68.9-26000112.5Y230 F232 K245 D246 L247 M251 L252 T253Y230-N249 WeakPolarHBondContact OH-CA 3.08Å; Y230-N249 PolarHBondContact OH-OD1 3.31Å; F232-N249 WeakPolarHBondContact CE2-OD1 3.49Å; F232-N249 WeakPolarHBondContact CZ-OD1 3.38Å; K245-N249 PolarHBondContact O-N 3.21Å; K245-N249 PolarHBondContact O-ND2 3.48Å; D246-N249 PolarHBondContact O-N 2.76Å; L247-N249 PolarHBondContact O-N 3.25Å; N249-M251 VanDerWaalsContact C-N 3.33Å; N249-M251 PolarHBondContact O-N 3.37Å; N249-L252 CarbonylContact O-C 3.56Å; N249-T253 PolarHBondContact O-N 2.86Å; N249-T253 PolarHBondContact O-OG1 3.16Å
250K98.9Very high98.7Very high77 Ų7743.8 Ų43.834%0.33524%0.237SC..Hα-helixtrans-65.7-33.7176.5-76172.9-178160.80112.8D246 L247 I248 T253 I260 H268D246-K250 WeakPolarHBondContact O-CB 3.22Å; D246-K250 WeakPolarHBondContact O-CG 3.49Å; D246-K250 PolarHBondContact O-N 3.31Å; D246-K250 WeakPolarHBondContact OD1-CE 3.47Å; D246-K250 IonicContact OD1-NZ 3.57Å; D246-K250 VanDerWaalsContact OD2-CE 3.31Å; D246-K250 WeakPolarHBondContact OD2-CE 3.41Å; D246-K250 IonicContact OD2-NZ 2.6Å; D246-K250 PolarHBondContact OD2-NZ 2.9Å; L247-K250 PolarHBondContact O-N 3.29Å; I248-K250 VanDerWaalsContact C-N 3.3Å; I248-K250 PolarHBondContact O-N 3.22Å; K250-T253 PolarHBondContact O-OG1 3.29Å; K250-I260 HydrophobicContact CB-CB 3.99Å; K250-I260 HydrophobicContact CB-CD1 4.21Å; K250-I260 HydrophobicContact CB-CG2 3.97Å; K250-I260 HydrophobicContact CD-CD1 4.17Å; K250-I260 WeakPolarHBondContact O-CG2 3.33Å; K250-I260 PolarHBondContact O-N 3.21Å; K250-I260 VanDerWaalsContact O-N 3.12Å; K250-H268 PolarHBondContact NZ-NE2 3.45Å
251M98.9Very high98.8Very high0 Ų046.6 Ų46.60%025%0.254CS..Hα-helixtrans-78.3-42.1174.6-71.6-176.8178.100112.9L120 C199 G200 L203 L247 I248 N249 T253 R259 I260 A265L120-M251 HydrophobicContact CD1-CE 3.89Å; L120-M251 HydrophobicContact CD2-CE 3.93Å; L120-M251 HydrophobicContact CG-CE 4.4Å; C199-M251 HydrophobicContact CB-CE 4.34Å; C199-M251 HydrophobicContact CB-SD 3.92Å; G200-M251 VanDerWaalsContact CA-SD 3.59Å; G200-M251 PolarHBondContact N-SD 3.47Å; G200-M251 VanDerWaalsContact N-SD 3.44Å; L203-M251 HydrophobicContact CD2-SD 4.33Å; L247-M251 HydrophobicContact CD1-CE 3.95Å; L247-M251 HydrophobicContact CD2-CE 4.29Å; L247-M251 HydrophobicContact CG-CE 4.03Å; L247-M251 WeakPolarHBondContact O-CG 3.42Å; L247-M251 PolarHBondContact O-N 3.01Å; I248-M251 PolarHBondContact O-N 2.98Å; I248-M251 VanDerWaalsContact O-N 3.12Å; N249-M251 VanDerWaalsContact C-N 3.33Å; N249-M251 PolarHBondContact O-N 3.37Å; M251-T253 PolarHBondContact O-N 3.14Å; M251-R259 WeakPolarHBondContact O-CD 3.3Å; M251-R259 VanDerWaalsContact O-CG 3.23Å; M251-R259 WeakPolarHBondContact O-CG 3.49Å; M251-R259 PolarHBondContact O-NE 3.26Å; M251-I260 HydrophobicContact CB-CG2 4.44Å; M251-I260 HydrophobicContact CG-CG2 3.71Å; M251-A265 HydrophobicContact CE-CB 3.92Å
252L98.9Very high98.8Very high4 Ų445.6 Ų45.62%0.02125%0.249CC..SBendtrans-8625.3178.9-60.5-175000112.7W197 V201 P212 F213 Y230 I248 N249 I254W197-L252 HydrophobicContact CD2-CD2 3.97Å; W197-L252 HydrophobicContact CE3-CD2 4.15Å; W197-L252 HydrophobicContact CG-CD2 4.44Å; W197-L252 HydrophobicContact CZ2-CD2 4.34Å; W197-L252 HydrophobicContact CZ3-CB 4.27Å; W197-L252 HydrophobicContact CZ3-CD2 4.43Å; W197-L252 VanDerWaalsContact CZ3-O 3.28Å; W197-L252 WeakPolarHBondContact CZ3-O 3.31Å; V201-L252 HydrophobicContact CG2-CD2 3.92Å; P212-L252 HydrophobicContact CB-CD1 4.4Å; P212-L252 HydrophobicContact CG-CD1 4.36Å; F213-L252 HydrophobicContact CE2-CD1 4.39Å; F213-L252 HydrophobicContact CE2-CD2 4.32Å; F213-L252 HydrophobicContact CZ-CD1 4.41Å; Y230-L252 HydrophobicContact CD1-CB 4.36Å; Y230-L252 HydrophobicContact CD1-CD1 3.93Å; Y230-L252 HydrophobicContact CD2-CD1 4.16Å; Y230-L252 HydrophobicContact CE1-CB 3.59Å; Y230-L252 HydrophobicContact CE1-CD1 3.82Å; Y230-L252 HydrophobicContact CE1-CG 4.37Å; Y230-L252 HydrophobicContact CE2-CD1 4.07Å; Y230-L252 HydrophobicContact CG-CD1 4.1Å; I248-L252 HydrophobicContact CG2-CD1 3.68Å; I248-L252 HydrophobicContact CG2-CG 4.14Å; I248-L252 WeakPolarHBondContact O-CB 3.38Å; I248-L252 PolarHBondContact O-N 2.83Å; N249-L252 CarbonylContact O-C 3.56Å; L252-I254 PolarHBondContact O-N 3.4Å
253T98.9Very high98.8Very high38 Ų3843.2 Ų43.223%0.23324%0.236CC..  trans-71.3123.2171.7-68.80000110.1N249 K250 M251 N255 K258 R259N249-T253 PolarHBondContact O-N 2.86Å; N249-T253 PolarHBondContact O-OG1 3.16Å; K250-T253 PolarHBondContact O-OG1 3.29Å; M251-T253 PolarHBondContact O-N 3.14Å; T253-N255 PolarHBondContact O-N 3.01Å; T253-K258 HydrophobicContact CG2-CB 3.87Å; T253-R259 PolarHBondContact O-NE 2.86Å; T253-R259 PolarHBondContact O-NH2 3.48Å
254I98.8Very high98.8Very high57 Ų5744.6 Ų44.629%0.29224%0.243SC..SBendtrans-62.1-41.6-174-63.4171.7000112.4P182 A227 L252 P256 R259P182-I254 HydrophobicContact CB-CG2 4.21Å; P182-I254 HydrophobicContact CG-CG2 4.36Å; A227-I254 WeakPolarHBondContact O-CD1 3.37Å; L252-I254 PolarHBondContact O-N 3.4Å; I254-P256 VanDerWaalsContact O-CD 3.31Å; I254-P256 WeakPolarHBondContact O-CD 3.5Å; I254-R259 PolarHBondContact O-NH2 3.36Å
255N98.5Very high98.8Very high75 Ų7544.6 Ų44.640%0.40124%0.243SC..SBendtrans-79.9113178.8-178.3-17.4000109.4T253 A257 K258 R259T253-N255 PolarHBondContact O-N 3.01Å; N255-A257 PolarHBondContact O-N 3.49Å; N255-A257 VanDerWaalsContact O-N 3.17Å; N255-A257 WeakPolarHBondContact OD1-CB 3.5Å; N255-A257 PolarHBondContact OD1-N 3.4Å; N255-K258 HydrophobicContact CB-CB 4.36Å; N255-K258 HydrophobicContact CB-CD 4.46Å; N255-K258 HydrophobicContact CB-CG 4.37Å; N255-K258 PolarHBondContact O-N 3.1Å; N255-R259 PolarHBondContact O-N 3.26Å; N255-R259 VanDerWaalsContact O-N 3.15Å
256P98.4Very high98.8Very high28 Ų2844 Ų4418%0.18224%0.241CC..THydrogen-bonded Turntrans-62.3-25.8-176.325.6-34.8000113.3E183 A193 I254 K258 R259E183-P256 HydrophobicContact CB-CG 4.38Å; E183-P256 HydrophobicContact CG-CG 4.3Å; A193-P256 HydrophobicContact CB-CB 3.72Å; I254-P256 VanDerWaalsContact O-CD 3.31Å; I254-P256 WeakPolarHBondContact O-CD 3.5Å; P256-K258 VanDerWaalsContact C-N 3.27Å; P256-K258 PolarHBondContact O-N 3.23Å; P256-R259 PolarHBondContact O-N 3.12Å
257A98Very high98.8Very high86 Ų8648.9 Ų48.971%0.71126%0.26SS*.THydrogen-bonded Turntrans-74.1-17176.800000113.5N255N255-A257 PolarHBondContact O-N 3.49Å; N255-A257 VanDerWaalsContact O-N 3.17Å; N255-A257 WeakPolarHBondContact OD1-CB 3.5Å; N255-A257 PolarHBondContact OD1-N 3.4Å
258K98.6Very high98.8Very high164 Ų16449.4 Ų49.471%0.71326%0.262SS*.THydrogen-bonded Turntrans-104.2-7.8175.2-63.8-173.8177.8-1750112.7T253 N255 P256T253-K258 HydrophobicContact CG2-CB 3.87Å; N255-K258 HydrophobicContact CB-CB 4.36Å; N255-K258 HydrophobicContact CB-CD 4.46Å; N255-K258 HydrophobicContact CB-CG 4.37Å; N255-K258 PolarHBondContact O-N 3.1Å; P256-K258 VanDerWaalsContact C-N 3.27Å; P256-K258 PolarHBondContact O-N 3.23Å
259R98.8Very high98.7Very high11 Ų1151.9 Ų51.94%0.04228%0.279CS..SBendtrans-71.6137.1-179-168.9179.2-61145.67109E183 A193 L196 M251 T253 I254 N255 P256E183-R259 IonicContact OE1-CZ 2.83Å; E183-R259 IonicContact OE1-NH1 3.62Å; E183-R259 PolarHBondContact OE1-NH1 3.12Å; E183-R259 IonicContact OE1-NH2 2.91Å; E183-R259 IonicContact OE2-CZ 3.67Å; E183-R259 IonicContact OE2-NH1 2.85Å; E183-R259 IonicContact OE2-NH2 2.7Å; E183-R259 PolarHBondContact OE2-NH2 3.14Å; A193-R259 WeakPolarHBondContact O-CD 3.3Å; A193-R259 PolarHBondContact O-NH1 2.66Å; L196-R259 HydrophobicContact CB-CG 4.42Å; M251-R259 WeakPolarHBondContact O-CD 3.3Å; M251-R259 VanDerWaalsContact O-CG 3.23Å; M251-R259 WeakPolarHBondContact O-CG 3.49Å; M251-R259 PolarHBondContact O-NE 3.26Å; T253-R259 PolarHBondContact O-NE 2.86Å; T253-R259 PolarHBondContact O-NH2 3.48Å; I254-R259 PolarHBondContact O-NH2 3.36Å; N255-R259 PolarHBondContact O-N 3.26Å; N255-R259 VanDerWaalsContact O-N 3.15Å; P256-R259 PolarHBondContact O-N 3.12Å
260I98.9Very high98.7Very high19 Ų1949.1 Ų49.110%0.09726%0.264CS..PPolyproline II helixtrans-57.2141.2178.5-163.9171.2000110.8L196 L247 K250 M251 E264 A265L196-I260 VanDerWaalsContact CG-O 3.31Å; L196-I260 WeakPolarHBondContact CG-O 3.5Å; L247-I260 HydrophobicContact CD1-CD1 4.12Å; K250-I260 HydrophobicContact CB-CB 3.99Å; K250-I260 HydrophobicContact CB-CD1 4.21Å; K250-I260 HydrophobicContact CB-CG2 3.97Å; K250-I260 HydrophobicContact CD-CD1 4.17Å; K250-I260 WeakPolarHBondContact O-CG2 3.33Å; K250-I260 PolarHBondContact O-N 3.21Å; K250-I260 VanDerWaalsContact O-N 3.12Å; M251-I260 HydrophobicContact CB-CG2 4.44Å; M251-I260 HydrophobicContact CG-CG2 3.71Å; I260-E264 HydrophobicContact CD1-CB 4.03Å; I260-E264 HydrophobicContact CG1-CB 3.47Å; I260-E264 VanDerWaalsContact CG1-CB 3.47Å; I260-A265 HydrophobicContact CD1-CB 3.99Å; I260-A265 HydrophobicContact CG1-CB 4.3Å; I260-A265 HydrophobicContact CG2-CB 4.46Å
261T98.9Very high98.7Very high65 Ų6545.7 Ų45.740%0.39925%0.249SC..PPolyproline II helixtrans-83.8164.1173.264.30000111.5A263 E264 A265T261-A263 VanDerWaalsContact C-N 3.27Å; T261-A263 PolarHBondContact O-N 3.3Å; T261-E264 WeakPolarHBondContact CB-OE2 3.27Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.24Å; T261-E264 PolarHBondContact N-OE2 2.84Å; T261-E264 PolarHBondContact O-N 2.9Å; T261-E264 WeakPolarHBondContact OG1-CB 3.47Å; T261-E264 VanDerWaalsContact OG1-CG 3.24Å; T261-E264 WeakPolarHBondContact OG1-CG 3.4Å; T261-E264 PolarHBondContact OG1-N 3.04Å; T261-E264 PolarHBondContact OG1-OE2 3.26Å; T261-A265 WeakPolarHBondContact O-CB 3.3Å; T261-A265 PolarHBondContact O-N 3.37Å
262A98.8Very high98.7Very high1 Ų148.5 Ų48.51%0.00827%0.268CS..Hα-helixtrans-60.3-37.9175.900000112.5L120 V123 L124 L196 A265 L266L120-A262 HydrophobicContact CD2-CB 4.4Å; V123-A262 HydrophobicContact CG1-CB 4.22Å; L124-A262 HydrophobicContact CB-CB 3.94Å; L124-A262 HydrophobicContact CD1-CB 4.29Å; L196-A262 HydrophobicContact CD1-CB 4.2Å; L196-A262 HydrophobicContact CD2-CB 4.34Å; A262-A265 PolarHBondContact O-N 3.25Å; A262-L266 WeakPolarHBondContact O-CG 3.3Å; A262-L266 PolarHBondContact O-N 3.25Å; A262-L266 VanDerWaalsContact O-N 3.08Å
263A98.8Very high98.6Very high40 Ų4053.2 Ų53.233%0.33129%0.29SS..Hα-helixtrans-66.1-38.9177.700000112.8L124 T261L124-A263 HydrophobicContact CD1-CB 3.95Å; L124-A263 HydrophobicContact CD2-CB 4.46Å; T261-A263 VanDerWaalsContact C-N 3.27Å; T261-A263 PolarHBondContact O-N 3.3Å
264E98.9Very high98.5Very high105 Ų10553.7 Ų53.749%0.49129%0.288SS..Hα-helixtrans-72.6-40.4175.7-70.1161.9150.900111.5I260 T261 L266 K267 H268I260-E264 HydrophobicContact CD1-CB 4.03Å; I260-E264 HydrophobicContact CG1-CB 3.47Å; I260-E264 VanDerWaalsContact CG1-CB 3.47Å; T261-E264 WeakPolarHBondContact CB-OE2 3.27Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.24Å; T261-E264 PolarHBondContact N-OE2 2.84Å; T261-E264 PolarHBondContact O-N 2.9Å; T261-E264 WeakPolarHBondContact OG1-CB 3.47Å; T261-E264 VanDerWaalsContact OG1-CG 3.24Å; T261-E264 WeakPolarHBondContact OG1-CG 3.4Å; T261-E264 PolarHBondContact OG1-N 3.04Å; T261-E264 PolarHBondContact OG1-OE2 3.26Å; E264-L266 VanDerWaalsContact C-N 3.34Å; E264-L266 PolarHBondContact O-N 3.27Å; E264-K267 PolarHBondContact O-N 3.27Å; E264-H268 PolarHBondContact O-N 3.25Å
265A98.9Very high98.3Very high0 Ų056.2 Ų56.20%031%0.311CS..Hα-helixtrans-60.1-42.417800000111.8L120 L247 M251 I260 T261 A262 K267 H268 I271L120-A265 HydrophobicContact CD1-CB 3.8Å; L120-A265 HydrophobicContact CD2-CB 4.05Å; L247-A265 HydrophobicContact CD1-CB 4.24Å; M251-A265 HydrophobicContact CE-CB 3.92Å; I260-A265 HydrophobicContact CD1-CB 3.99Å; I260-A265 HydrophobicContact CG1-CB 4.3Å; I260-A265 HydrophobicContact CG2-CB 4.46Å; T261-A265 WeakPolarHBondContact O-CB 3.3Å; T261-A265 PolarHBondContact O-N 3.37Å; A262-A265 PolarHBondContact O-N 3.25Å; A265-K267 PolarHBondContact O-N 3.34Å; A265-H268 WeakPolarHBondContact O-CB 3.43Å; A265-H268 PolarHBondContact O-N 2.83Å; A265-I271 WeakPolarHBondContact O-CD1 3.14Å
266L98.8Very high98.2Very high33 Ų3358.3 Ų58.317%0.17333%0.326CS..Hα-helixtrans-62.6-23.4175.9-75.2167.8000113.9Q117 L120 E121 L124 A262 E264Q117-L266 HydrophobicContact CG-CD2 3.85Å; L120-L266 HydrophobicContact CB-CD1 4.41Å; L120-L266 HydrophobicContact CB-CD2 3.72Å; L120-L266 HydrophobicContact CB-CG 3.87Å; L120-L266 HydrophobicContact CD1-CD2 4.47Å; E121-L266 HydrophobicContact CG-CD1 4.16Å; E121-L266 HydrophobicContact CG-CD2 3.93Å; L124-L266 HydrophobicContact CB-CD1 4.38Å; L124-L266 HydrophobicContact CD2-CD1 3.76Å; A262-L266 WeakPolarHBondContact O-CG 3.3Å; A262-L266 PolarHBondContact O-N 3.25Å; A262-L266 VanDerWaalsContact O-N 3.08Å; E264-L266 VanDerWaalsContact C-N 3.34Å; E264-L266 PolarHBondContact O-N 3.27Å
267K98.8Very high98.1Very high164 Ų16458.6 Ų58.671%0.71333%0.327SS*.THydrogen-bonded Turntrans-90.3-2.3175.1-63.9174.7-176.5176.70112.9E264 A265 S272E264-K267 PolarHBondContact O-N 3.27Å; A265-K267 PolarHBondContact O-N 3.34Å; K267-S272 PolarHBondContact O-OG 2.97Å
268H98.8Very high98Very high11 Ų1154.9 Ų54.95%0.05130%0.296CS..SBendtrans-65.1137.3179.8-165.7-93.3000110.6E243 D246 L247 K250 E264 A265 W270 I271 S272E243-H268 PolarHBondContact O-CE1 2.94Å; E243-H268 VanDerWaalsContact O-CE1 3.26Å; D246-H268 IonicContact OD2-CE1 3.33Å; D246-H268 IonicContact OD2-NE2 3.03Å; D246-H268 PolarHBondContact OD2-NE2 2.78Å; L247-H268 HydrophobicContact CD1-CB 3.94Å; K250-H268 PolarHBondContact NZ-NE2 3.45Å; E264-H268 PolarHBondContact O-N 3.25Å; A265-H268 WeakPolarHBondContact O-CB 3.43Å; A265-H268 PolarHBondContact O-N 2.83Å; H268-W270 VanDerWaalsContact C-N 3.26Å; H268-W270 PolarHBondContact ND1-N 2.87Å; H268-W270 PolarHBondContact O-N 2.8Å; H268-W270 VanDerWaalsContact O-N 3.14Å; H268-I271 WeakPolarHBondContact O-CA 3.35Å; H268-I271 PolarHBondContact O-N 2.89Å; H268-S272 PolarHBondContact O-N 2.97Å; H268-S272 PolarHBondContact O-OG 2.8Å
269P98.6Very high97.9Very high53 Ų5348.5 Ų48.534%0.34427%0.273SS..Hα-helixtrans-55.2-36.7-175.9-28.535.4000114.6I271 H273 V277P269-I271 PolarHBondContact O-N 2.96Å; P269-I271 VanDerWaalsContact O-N 3.15Å; P269-H273 CarbonylContact O-C 3.58Å; P269-H273 WeakPolarHBondContact O-CA 3.29Å; P269-H273 WeakPolarHBondContact O-CB 3.4Å; P269-H273 PolarHBondContact O-N 3.32Å; P269-V277 HydrophobicContact CB-CG2 4.27Å
270W98.8Very high97.7Very high0 Ų052 Ų520%030%0.298CS..Hα-helixtrans-61-22.4176.5-166.478.4000113.8E109 A112 S113 I116 L203 L207 T241 E243 A244 L247 H268 V277E109-W270 HydrophobicContact CB-CZ2 3.9Å; E109-W270 HydrophobicContact CG-CZ2 4.35Å; E109-W270 WeakPolarHBondContact O-CZ2 3.44Å; E109-W270 PolarHBondContact OE2-NE1 3.02Å; A112-W270 HydrophobicContact CB-CH2 4.06Å; S113-W270 VanDerWaalsContact CA-CZ3 3.49Å; S113-W270 PolarHBondContact OG-O 2.82Å; I116-W270 HydrophobicContact CG2-CZ3 3.85Å; L203-W270 HydrophobicContact CD1-CH2 3.57Å; L203-W270 HydrophobicContact CD1-CZ3 3.52Å; L203-W270 HydrophobicContact CD2-CZ3 4.3Å; L207-W270 HydrophobicContact CD2-CH2 4.01Å; L207-W270 HydrophobicContact CD2-CZ2 3.81Å; T241-W270 PolarHBondContact OG1-NE1 3.26Å; E243-W270 HydrophobicContact CB-CB 3.94Å; E243-W270 HydrophobicContact CB-CG 4.35Å; A244-W270 HydrophobicContact CB-CD2 4.15Å; A244-W270 HydrophobicContact CB-CG 4.29Å; A244-W270 HydrophobicContact CB-CZ2 4.01Å; L247-W270 HydrophobicContact CD2-CE3 3.84Å; L247-W270 HydrophobicContact CD2-CZ3 4.46Å; H268-W270 VanDerWaalsContact C-N 3.26Å; H268-W270 PolarHBondContact ND1-N 2.87Å; H268-W270 PolarHBondContact O-N 2.8Å; H268-W270 VanDerWaalsContact O-N 3.14Å; W270-V277 HydrophobicContact CB-CG1 4.36Å
271I98.5Very high97.5Very high6 Ų655.4 Ų55.43%0.03131%0.314CS..Hα-helixtrans-99.7-57.3174.6-65.3174.6000110.7I116 Q117 L120 L247 A265 H268 P269 H273 R274I116-I271 HydrophobicContact CG2-CD1 3.8Å; I116-I271 HydrophobicContact CG2-CG1 4.11Å; Q117-I271 HydrophobicContact CB-CG2 3.93Å; Q117-I271 HydrophobicContact CG-CG2 3.91Å; L120-I271 HydrophobicContact CD1-CD1 3.45Å; L120-I271 VanDerWaalsContact CD1-CD1 3.45Å; L247-I271 HydrophobicContact CD2-CD1 3.62Å; L247-I271 HydrophobicContact CD2-CG1 3.98Å; A265-I271 WeakPolarHBondContact O-CD1 3.14Å; H268-I271 WeakPolarHBondContact O-CA 3.35Å; H268-I271 PolarHBondContact O-N 2.89Å; P269-I271 PolarHBondContact O-N 2.96Å; P269-I271 VanDerWaalsContact O-N 3.15Å; I271-H273 VanDerWaalsContact C-N 3.35Å; I271-H273 PolarHBondContact O-N 3.42Å; I271-R274 PolarHBondContact O-N 3.47Å
272S97.8Very high97.3Very high58 Ų5855 Ų5541%0.40631%0.308SS..Hα-helixtrans-72.4-26.1-171.2680000113.9K267 H268K267-S272 PolarHBondContact O-OG 2.97Å; H268-S272 PolarHBondContact O-N 2.97Å; H268-S272 PolarHBondContact O-OG 2.8Å
273H97.3Very high97Very high103 Ų10355.6 Ų55.648%0.47731%0.31SS..THydrogen-bonded Turntrans-117.134.8177.6-53.2121.8000111P269 I271 S275 T276 V277P269-H273 CarbonylContact O-C 3.58Å; P269-H273 WeakPolarHBondContact O-CA 3.29Å; P269-H273 WeakPolarHBondContact O-CB 3.4Å; P269-H273 PolarHBondContact O-N 3.32Å; I271-H273 VanDerWaalsContact C-N 3.35Å; I271-H273 PolarHBondContact O-N 3.42Å; H273-S275 PolarHBondContact O-N 3.14Å; H273-T276 PolarHBondContact O-N 3.02Å; H273-T276 PolarHBondContact O-OG1 3.41Å; H273-V277 HydrophobicContact CB-CG2 3.87Å; H273-V277 PolarHBondContact O-N 3.16Å
274R97.5Very high96.6Very high49 Ų4958.1 Ų58.119%0.18532%0.315CS..Hα-helixtrans-45.1-42.2-177.7-179.9-171.3-61135.118.1113.6A110 S113 H114 I271 T276 A278A110-R274 HydrophobicContact CB-CG 4.05Å; A110-R274 VanDerWaalsContact O-CD 3.26Å; A110-R274 WeakPolarHBondContact O-CD 3.49Å; A110-R274 PolarHBondContact O-NE 3.08Å; S113-R274 PolarHBondContact O-NH2 3.48Å; S113-R274 VanDerWaalsContact O-NH2 3.11Å; S113-R274 PolarHBondContact OG-NE 3.48Å; S113-R274 PolarHBondContact OG-NH2 3.02Å; H114-R274 PolarHBondContact ND1-NH1 3Å; I271-R274 PolarHBondContact O-N 3.47Å; R274-T276 PolarHBondContact O-N 3.02Å; R274-A278 HydrophobicContact CG-CB 3.86Å; R274-A278 WeakPolarHBondContact O-CB 3.44Å; R274-A278 PolarHBondContact O-N 2.98Å
275S94.6Very high96.2Very high110 Ų11058.9 Ų58.977%0.76932%0.319SS*.Hα-helixtrans-63.1-22.1-176.352.60000114.5H273H273-S275 PolarHBondContact O-N 3.14Å
276T95.7Very high95.8Very high119 Ų11959 Ų5973%0.7332%0.32SS*.Hα-helixtrans-115.1-22-179.855.90000113.3H273 R274H273-T276 PolarHBondContact O-N 3.02Å; H273-T276 PolarHBondContact O-OG1 3.41Å; R274-T276 PolarHBondContact O-N 3.02Å
277V96.6Very high95.4Very high33 Ų3358 Ų5820%0.231%0.314CS..Hα-helixtrans-104.6-40.7-173.2179.40000112.8E243 P269 W270 H273E243-V277 HydrophobicContact CB-CG1 3.59Å; E243-V277 HydrophobicContact CG-CG1 3.54Å; P269-V277 HydrophobicContact CB-CG2 4.27Å; W270-V277 HydrophobicContact CB-CG1 4.36Å; H273-V277 HydrophobicContact CB-CG2 3.87Å; H273-V277 PolarHBondContact O-N 3.16Å
278A95.9Very high94.6Very high8 Ų854.9 Ų54.97%0.06630%0.302CS..SBendtrans-82.1136.3-176.400000110.8E109 A110 R274 C280E109-A278 HydrophobicContact CB-CB 4.21Å; A110-A278 HydrophobicContact CB-CB 4.35Å; R274-A278 HydrophobicContact CG-CB 3.86Å; R274-A278 WeakPolarHBondContact O-CB 3.44Å; R274-A278 PolarHBondContact O-N 2.98Å; A278-C280 PolarHBondContact O-N 3.36Å
279S95.8Very high93.9Very high31 Ų3156.5 Ų56.522%0.21732%0.315CS..  trans-67.6130.7179.4-178.70000112.7E109 A110 M281E109-S279 WeakPolarHBondContact CB-O 3.48Å; E109-S279 PolarHBondContact N-O 2.92Å; E109-S279 VanDerWaalsContact N-O 3.12Å; E109-S279 PolarHBondContact OE2-N 2.79Å; A110-S279 PolarHBondContact N-O 3.21Å; S279-M281 VanDerWaalsContact C-N 3.28Å; S279-M281 WeakPolarHBondContact OG-CB 3.46Å; S279-M281 PolarHBondContact OG-N 2.88Å
280C95.6Very high93.3Very high85 Ų8554 Ų5457%0.57430%0.298SS*.  trans-93.727.6169.4-59.20000111.6Y106 A278Y106-C280 PolarHBondContact OH-O 2.82Å; A278-C280 PolarHBondContact O-N 3.36Å
281M93.8Very high92.4Very high89 Ų8960.7 Ų60.744%0.43833%0.327SS..  trans-82.4135.8172-167.2177.771.100109.5S108 T239 S279S108-M281 WeakPolarHBondContact CB-O 3.47Å; T239-M281 HydrophobicContact CG2-CE 3.91Å; S279-M281 VanDerWaalsContact C-N 3.28Å; S279-M281 WeakPolarHBondContact OG-CB 3.46Å; S279-M281 PolarHBondContact OG-N 2.88Å
282H95.1Very high91.4Very high58 Ų5867.8 Ų67.827%0.26936%0.358SS..  trans-66.8133.6172-175.136000110.6E105 Y106 Y107 Q284E105-H282 PolarHBondContact O-CE1 3.27Å; E105-H282 PolarHBondContact O-NE2 3.13Å; Y106-H282 HydrophobicContact CD2-CB 3.69Å; Y106-H282 AromaticContact CD2-CG 3.9Å; Y106-H282 HydrophobicContact CE2-CB 3.59Å; Y107-H282 PolarHBondContact N-CE1 3.29Å; Y107-H282 PolarHBondContact N-ND1 3.34Å; Y107-H282 WeakPolarHBondContact O-CA 3.28Å; Y107-H282 PolarHBondContact O-ND1 3.41Å; H282-Q284 PolarHBondContact NE2-OE1 3.16Å; H282-Q284 VanDerWaalsContact NE2-OE1 3.13Å
283R93.6Very high90.5Very high13 Ų1366.5 Ų66.55%0.04935%0.345CS..  trans-113.574.8-177.5-55.4-176.765.973.17.7111.6Y107 L207 E236 T239 V240 E285 T286 V287Y107-R283 PolarHBondContact O-N 2.78Å; L207-R283 PolarHBondContact O-NE 3.49Å; L207-R283 VanDerWaalsContact O-NE 3.14Å; E236-R283 PolarHBondContact O-NH2 2.93Å; T239-R283 PolarHBondContact OG1-NH1 3.09Å; V240-R283 VanDerWaalsContact CG2-NH2 3.27Å; R283-E285 PolarHBondContact O-N 3.03Å; R283-T286 PolarHBondContact NE-OG1 3.38Å; R283-T286 WeakPolarHBondContact O-CB 3.24Å; R283-T286 PolarHBondContact O-N 2.85Å; R283-V287 PolarHBondContact O-N 3.19Å
284Q90.4Very high89.5Confident93 Ų9361.8 Ų61.844%0.43532%0.323SS..Hα-helixtrans-60.5-42.5-178-178.459.933.600112.8H282 T286 V287 E288H282-Q284 PolarHBondContact NE2-OE1 3.16Å; H282-Q284 VanDerWaalsContact NE2-OE1 3.13Å; Q284-T286 VanDerWaalsContact C-N 3.27Å; Q284-T286 PolarHBondContact O-N 3.44Å; Q284-V287 WeakPolarHBondContact O-CB 3.26Å; Q284-V287 PolarHBondContact O-N 3.4Å; Q284-V287 VanDerWaalsContact O-N 3.1Å; Q284-E288 PolarHBondContact NE2-OE1 3.45Å; Q284-E288 PolarHBondContact O-N 2.81Å; Q284-E288 VanDerWaalsContact O-N 3.1Å
285E89.3Confident88.2Confident121 Ų12162.6 Ų62.657%0.56534%0.341SS*.Hα-helixtrans-60.4-36.7178.7-66.9178.5176.100112.5R283 E288 C289R283-E285 PolarHBondContact O-N 3.03Å; E285-E288 PolarHBondContact O-N 2.7Å; E285-C289 PolarHBondContact O-N 2.85Å; E285-C289 PolarHBondContact O-SG 2.75Å
286T91.1Very high87.1Confident3 Ų362.3 Ų62.32%0.01832%0.323CS..Hα-helixtrans-61.5-45.3174.7-58.40000111.2Y107 L207 R283 Q284 E288 C289 L290Y107-T286 HydrophobicContact CD1-CG2 4.33Å; Y107-T286 HydrophobicContact CE1-CG2 4.09Å; L207-T286 VanDerWaalsContact O-CG2 3.31Å; L207-T286 WeakPolarHBondContact O-CG2 3.35Å; L207-T286 PolarHBondContact O-OG1 2.82Å; R283-T286 PolarHBondContact NE-OG1 3.38Å; R283-T286 WeakPolarHBondContact O-CB 3.24Å; R283-T286 PolarHBondContact O-N 2.85Å; Q284-T286 VanDerWaalsContact C-N 3.27Å; Q284-T286 PolarHBondContact O-N 3.44Å; T286-E288 VanDerWaalsContact C-N 3.32Å; T286-E288 PolarHBondContact O-N 2.78Å; T286-C289 PolarHBondContact O-N 2.91Å; T286-L290 VanDerWaalsContact O-CB 3.27Å; T286-L290 WeakPolarHBondContact O-CB 3.49Å; T286-L290 PolarHBondContact O-N 3.01Å
287V89.1Confident86.3Confident10 Ų1057.9 Ų57.96%0.06129%0.292CS..Hα-helixtrans-61-42.4178.8175.30000110.7Y107 R283 Q284 L290 K291Y107-V287 HydrophobicContact CD1-CG2 4.39Å; R283-V287 PolarHBondContact O-N 3.19Å; Q284-V287 WeakPolarHBondContact O-CB 3.26Å; Q284-V287 PolarHBondContact O-N 3.4Å; Q284-V287 VanDerWaalsContact O-N 3.1Å; V287-L290 PolarHBondContact O-N 3.32Å; V287-K291 PolarHBondContact O-N 3.31Å
288E82.3Confident85.1Confident100 Ų10060.7 Ų60.747%0.46730%0.302SS..Hα-helixtrans-67.3-43.4178.3-69.8177.3-168.300113.1Q284 E285 T286 L290 K291 K292Q284-E288 PolarHBondContact NE2-OE1 3.45Å; Q284-E288 PolarHBondContact O-N 2.81Å; Q284-E288 VanDerWaalsContact O-N 3.1Å; E285-E288 PolarHBondContact O-N 2.7Å; T286-E288 VanDerWaalsContact C-N 3.32Å; T286-E288 PolarHBondContact O-N 2.78Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 3.23Å; E288-K291 WeakPolarHBondContact O-CB 3.37Å; E288-K291 PolarHBondContact O-N 2.99Å; E288-K292 PolarHBondContact O-N 2.81Å
289C85.1Confident83.4Confident45 Ų4563.3 Ų63.330%0.30431%0.314SS..Hα-helixtrans-62.2-41.9174.6-70.10000111V208 G209 E285 T286 K291 K292 F293V208-C289 WeakPolarHBondContact O-CB 3.34Å; G209-C289 CarbonylContact O-C 3.56Å; E285-C289 PolarHBondContact O-N 2.85Å; E285-C289 PolarHBondContact O-SG 2.75Å; T286-C289 PolarHBondContact O-N 2.91Å; C289-K291 VanDerWaalsContact C-N 3.32Å; C289-K291 PolarHBondContact O-N 3.14Å; C289-K292 WeakPolarHBondContact O-CB 3.3Å; C289-K292 PolarHBondContact O-N 3.32Å; C289-K292 VanDerWaalsContact O-N 3.16Å; C289-F293 PolarHBondContact O-N 3.33Å
290L85.9Confident81.8Confident0 Ų066.5 Ų66.50%033%0.325CS..Hα-helixtrans-64.9-36179.3-161.366.2000112.6F98 I101 V102 I205 T286 V287 E288 K292 F293 N294F98-L290 HydrophobicContact CD1-CD1 3.42Å; F98-L290 VanDerWaalsContact CD1-CD1 3.42Å; F98-L290 HydrophobicContact CD1-CD2 3.9Å; F98-L290 HydrophobicContact CD1-CG 4.02Å; F98-L290 HydrophobicContact CE1-CD1 3.75Å; I101-L290 HydrophobicContact CB-CD2 3.88Å; I101-L290 HydrophobicContact CD1-CD2 4.45Å; I101-L290 HydrophobicContact CG2-CD2 3.53Å; V102-L290 HydrophobicContact CG2-CB 3.96Å; V102-L290 HydrophobicContact CG2-CD2 4.02Å; V102-L290 HydrophobicContact CG2-CG 4.01Å; I205-L290 HydrophobicContact CG2-CD1 3.71Å; T286-L290 VanDerWaalsContact O-CB 3.27Å; T286-L290 WeakPolarHBondContact O-CB 3.49Å; T286-L290 PolarHBondContact O-N 3.01Å; V287-L290 PolarHBondContact O-N 3.32Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 3.23Å; L290-K292 PolarHBondContact O-N 3.24Å; L290-F293 HydrophobicContact CD1-CD1 4Å; L290-F293 WeakPolarHBondContact O-CB 3.36Å; L290-F293 PolarHBondContact O-N 2.71Å; L290-N294 WeakPolarHBondContact O-CB 3.48Å; L290-N294 PolarHBondContact O-N 3.29Å
291K80.4Confident79.9Confident140 Ų14063.7 Ų63.761%0.60931%0.31SS*.Hα-helixtrans-59-45.6172.5-171.5173.3-178.8177.70111.9V102 V287 E288 C289 A295V102-K291 HydrophobicContact CG1-CB 3.72Å; V102-K291 HydrophobicContact CG1-CD 4.07Å; V102-K291 HydrophobicContact CG1-CG 3.85Å; V102-K291 HydrophobicContact CG2-CB 4.27Å; V287-K291 PolarHBondContact O-N 3.31Å; E288-K291 WeakPolarHBondContact O-CB 3.37Å; E288-K291 PolarHBondContact O-N 2.99Å; C289-K291 VanDerWaalsContact C-N 3.32Å; C289-K291 PolarHBondContact O-N 3.14Å; K291-A295 PolarHBondContact O-N 3.21Å; K291-A295 VanDerWaalsContact O-N 3.14Å
292K76.4Confident78Confident155 Ų15561.7 Ų61.767%0.67431%0.307SS*.Hα-helixtrans-64.9-42.9176.2-65.8174.9-176.8171.20111.3E288 C289 L290 A295 R296E288-K292 PolarHBondContact O-N 2.81Å; C289-K292 WeakPolarHBondContact O-CB 3.3Å; C289-K292 PolarHBondContact O-N 3.32Å; C289-K292 VanDerWaalsContact O-N 3.16Å; L290-K292 PolarHBondContact O-N 3.24Å; K292-A295 PolarHBondContact O-N 3.33Å; K292-R296 WeakPolarHBondContact O-CB 3.29Å; K292-R296 PolarHBondContact O-N 2.93Å
293F79.9Confident75.8Confident31 Ų3160 Ų6014%0.13630%0.3CS..Hα-helixtrans-59.3-48.4177.1172.4-97.3000112.2P138 I205 G209 P211 C289 L290 R296 R297P138-F293 HydrophobicContact CG-CE1 4.09Å; P138-F293 HydrophobicContact CG-CZ 4.3Å; I205-F293 HydrophobicContact CD1-CE2 4.35Å; I205-F293 HydrophobicContact CD1-CZ 3.97Å; I205-F293 HydrophobicContact CG2-CD1 4.22Å; I205-F293 HydrophobicContact CG2-CE1 4.05Å; I205-F293 HydrophobicContact CG2-CZ 4.24Å; G209-F293 WeakPolarHBondContact O-CB 3.34Å; P211-F293 HydrophobicContact CG-CE2 4.41Å; C289-F293 PolarHBondContact O-N 3.33Å; L290-F293 HydrophobicContact CD1-CD1 4Å; L290-F293 WeakPolarHBondContact O-CB 3.36Å; L290-F293 PolarHBondContact O-N 2.71Å; F293-R296 PolarHBondContact O-N 3.48Å; F293-R297 VanDerWaalsContact O-CB 3.28Å; F293-R297 WeakPolarHBondContact O-CB 3.31Å; F293-R297 PolarHBondContact O-N 3.38Å
294N75.8Confident73.4Confident5 Ų563.2 Ų63.23%0.02732%0.318CS..Hα-helixtrans-60.5-46.7178.4-80.5-14000112.4F98 E99 L290 R296 R297 K298F98-N294 VanDerWaalsContact C-ND2 3.34Å; F98-N294 WeakPolarHBondContact CB-OD1 3.4Å; F98-N294 PolarHBondContact O-ND2 2.81Å; E99-N294 VanDerWaalsContact OE1-CB 3.22Å; E99-N294 WeakPolarHBondContact OE1-CB 3.48Å; E99-N294 VanDerWaalsContact OE1-CG 3.25Å; E99-N294 PolarHBondContact OE1-ND2 2.91Å; L290-N294 WeakPolarHBondContact O-CB 3.48Å; L290-N294 PolarHBondContact O-N 3.29Å; N294-R296 PolarHBondContact O-N 3.03Å; N294-R297 PolarHBondContact O-N 3.38Å; N294-K298 PolarHBondContact O-N 3Å
295A69.6Low71.3Confident66 Ų6661.7 Ų61.755%0.54532%0.315SS..Hα-helixtrans-58.9-47.1176.700000111.5K291 K292 R297 L299K291-A295 PolarHBondContact O-N 3.21Å; K291-A295 VanDerWaalsContact O-N 3.14Å; K292-A295 PolarHBondContact O-N 3.33Å; A295-R297 PolarHBondContact O-N 2.88Å; A295-L299 WeakPolarHBondContact O-CB 3.41Å; A295-L299 PolarHBondContact O-N 3.12Å; A295-L299 VanDerWaalsContact O-N 3.12Å
296R70.8Confident68.8Low104 Ų10456.6 Ų56.639%0.39229%0.292SS..Hα-helixtrans-62.4-42.5178.1-171.4-178.8-165-175.38.3112.3W214 K292 F293 N294 L299 K300W214-R296 VanDerWaalsContact CH2-NH2 3.32Å; W214-R296 VanDerWaalsContact CZ2-CZ 3.42Å; W214-R296 VanDerWaalsContact CZ2-NH1 3.32Å; K292-R296 WeakPolarHBondContact O-CB 3.29Å; K292-R296 PolarHBondContact O-N 2.93Å; F293-R296 PolarHBondContact O-N 3.48Å; N294-R296 PolarHBondContact O-N 3.03Å; R296-L299 PolarHBondContact O-N 3.45Å; R296-K300 PolarHBondContact O-N 2.76Å
297R79.9Confident66.1Low25 Ų2560.1 Ų60.19%0.09431%0.309CS..Hα-helixtrans-68.1-46.5-178.8-178.6-179.263.274.8-1.1111.6E96 E139 F293 N294 A295 L299 K300 G301E96-R297 IonicContact OE2-CZ 3.71Å; E96-R297 IonicContact OE2-NH1 3.04Å; E96-R297 PolarHBondContact OE2-NH1 3.22Å; E96-R297 VanDerWaalsContact OE2-NH1 3.14Å; E96-R297 IonicContact OE2-NH2 2.76Å; E96-R297 PolarHBondContact OE2-NH2 2.65Å; E139-R297 VanDerWaalsContact CG-NH1 3.25Å; E139-R297 WeakPolarHBondContact OE1-CD 3.47Å; E139-R297 WeakPolarHBondContact OE1-CG 3.34Å; E139-R297 IonicContact OE1-CZ 3.85Å; E139-R297 IonicContact OE1-NE 3.46Å; E139-R297 IonicContact OE1-NH1 2.99Å; E139-R297 PolarHBondContact OE1-NH1 3.09Å; E139-R297 IonicContact OE2-NH1 3.57Å; F293-R297 VanDerWaalsContact O-CB 3.28Å; F293-R297 WeakPolarHBondContact O-CB 3.31Å; F293-R297 PolarHBondContact O-N 3.38Å; N294-R297 PolarHBondContact O-N 3.38Å; A295-R297 PolarHBondContact O-N 2.88Å; R297-L299 VanDerWaalsContact C-N 3.28Å; R297-L299 PolarHBondContact O-N 2.85Å; R297-K300 PolarHBondContact O-N 3.47Å; R297-G301 PolarHBondContact O-N 3.38Å
298K71.4Confident63.5Low93 Ų9362.5 Ų62.540%0.40432%0.321SS..Hα-helixtrans-59.6-40.2175.5-77.1-175.9174.8175.20111.7E99 N294 A302E99-K298 VanDerWaalsContact OE1-CE 3.3Å; E99-K298 WeakPolarHBondContact OE1-CE 3.44Å; E99-K298 IonicContact OE1-NZ 3.03Å; E99-K298 PolarHBondContact OE1-NZ 3.42Å; E99-K298 IonicContact OE2-NZ 2.72Å; E99-K298 PolarHBondContact OE2-NZ 3.49Å; N294-K298 PolarHBondContact O-N 3Å; K298-A302 WeakPolarHBondContact O-CB 3.5Å; K298-A302 PolarHBondContact O-N 3.02Å
299L59.7Low61.3Low62 Ų6259.5 Ų59.533%0.32531%0.314SS..Hα-helixtrans-61.6-51.3174.9-176.562.6000112A295 R296 R297 I303 K352A295-L299 WeakPolarHBondContact O-CB 3.41Å; A295-L299 PolarHBondContact O-N 3.12Å; A295-L299 VanDerWaalsContact O-N 3.12Å; R296-L299 PolarHBondContact O-N 3.45Å; R297-L299 VanDerWaalsContact C-N 3.28Å; R297-L299 PolarHBondContact O-N 2.85Å; L299-I303 HydrophobicContact CG-CD1 4.33Å; L299-I303 WeakPolarHBondContact O-CD1 3.21Å; L299-I303 WeakPolarHBondContact O-CG1 3.38Å; L299-I303 PolarHBondContact O-N 3.14Å; L299-K352 HydrophobicContact CD1-CD 3.7Å
300K61.9Low58.8Low99 Ų9958.5 Ų58.543%0.4331%0.306SS..Hα-helixtrans-65.8-37.1178.5-75.6-171.7174.3-170.40113.2R296 R297 I303 L304R296-K300 PolarHBondContact O-N 2.76Å; R297-K300 PolarHBondContact O-N 3.47Å; K300-I303 WeakPolarHBondContact O-CB 3.45Å; K300-I303 PolarHBondContact O-N 3.42Å; K300-L304 WeakPolarHBondContact O-CB 3.13Å; K300-L304 PolarHBondContact O-N 3.28Å
301G57Low56.3Low26 Ų2665.9 Ų65.927%0.26833%0.334SS..Hα-helixtrans-68.3-39.1179.200000112.6R297 L304 T305R297-G301 PolarHBondContact O-N 3.38Å; G301-L304 PolarHBondContact O-N 3.13Å; G301-T305 VanDerWaalsContact O-CB 3.31Å; G301-T305 WeakPolarHBondContact O-CB 3.34Å; G301-T305 PolarHBondContact O-N 3.38Å; G301-T305 PolarHBondContact O-OG1 2.8Å
302A52.9Low54Low46 Ų4663.4 Ų63.438%0.3833%0.328SS..Hα-helixtrans-60-4817100000110.9K298 T305 T306K298-A302 WeakPolarHBondContact O-CB 3.5Å; K298-A302 PolarHBondContact O-N 3.02Å; A302-T305 PolarHBondContact O-N 3.27Å; A302-T306 PolarHBondContact O-N 2.83Å; A302-T306 PolarHBondContact O-OG1 2.92Å; A302-T306 VanDerWaalsContact O-OG1 3.09Å
303I48.9Very low52Low23 Ų2359.9 Ų59.912%0.11831%0.313CS..Hα-helixtrans-58-52.7175.9-68.6164.5000110.9L299 K300 T305 T306 M307 K352 E355L299-I303 HydrophobicContact CG-CD1 4.33Å; L299-I303 WeakPolarHBondContact O-CD1 3.21Å; L299-I303 WeakPolarHBondContact O-CG1 3.38Å; L299-I303 PolarHBondContact O-N 3.14Å; K300-I303 WeakPolarHBondContact O-CB 3.45Å; K300-I303 PolarHBondContact O-N 3.42Å; I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 PolarHBondContact O-N 3.23Å; I303-T306 CarbonylContact O-C 3.57Å; I303-T306 WeakPolarHBondContact O-CB 3.31Å; I303-T306 PolarHBondContact O-N 3.15Å; I303-M307 HydrophobicContact CG2-CG 4.31Å; I303-M307 HydrophobicContact CG2-SD 4.01Å; I303-M307 VanDerWaalsContact O-CG 3.31Å; I303-M307 WeakPolarHBondContact O-CG 3.31Å; I303-M307 PolarHBondContact O-N 3.45Å; I303-K352 HydrophobicContact CG1-CG 4.44Å; I303-E355 WeakPolarHBondContact CG2-OE2 3.42Å
304L44.3Very low49.7Very low80 Ų8062 Ų6242%0.41933%0.331SS..Hα-helixtrans-66.6-33.3-177.3-17467.1000112.5K300 G301 M307 L308K300-L304 WeakPolarHBondContact O-CB 3.13Å; K300-L304 PolarHBondContact O-N 3.28Å; G301-L304 PolarHBondContact O-N 3.13Å; L304-M307 CarbonylContact O-C 3.51Å; L304-M307 PolarHBondContact O-N 3.25Å; L304-L308 HydrophobicContact CD1-CD1 4.32Å; L304-L308 HydrophobicContact CD1-CG 4.12Å; L304-L308 HydrophobicContact CD2-CD1 4.17Å; L304-L308 HydrophobicContact CG-CD1 3.82Å; L304-L308 HydrophobicContact CG-CG 4.07Å; L304-L308 VanDerWaalsContact O-CB 3.29Å; L304-L308 WeakPolarHBondContact O-CB 3.1Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 2.85Å
305T44.8Very low47.4Very low62 Ų6265.6 Ų65.638%0.3837%0.369SS..Hα-helixtrans-65.4-44.2174.6-58.40000110.2G301 A302 I303 M307 L308 A309G301-T305 VanDerWaalsContact O-CB 3.31Å; G301-T305 WeakPolarHBondContact O-CB 3.34Å; G301-T305 PolarHBondContact O-N 3.38Å; G301-T305 PolarHBondContact O-OG1 2.8Å; A302-T305 PolarHBondContact O-N 3.27Å; I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 PolarHBondContact O-N 3.23Å; T305-M307 VanDerWaalsContact C-N 3.33Å; T305-M307 PolarHBondContact O-N 2.89Å; T305-L308 PolarHBondContact O-N 2.96Å; T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.47Å; T305-A309 PolarHBondContact O-N 2.78Å
306T37Very low45.4Very low13 Ų1366.1 Ų66.18%0.0838%0.381CS..Hα-helixtrans-59.3-43.4171.2-60.50000111A302 I303 T310 E355 E359A302-T306 PolarHBondContact O-N 2.83Å; A302-T306 PolarHBondContact O-OG1 2.92Å; A302-T306 VanDerWaalsContact O-OG1 3.09Å; I303-T306 CarbonylContact O-C 3.57Å; I303-T306 WeakPolarHBondContact O-CB 3.31Å; I303-T306 PolarHBondContact O-N 3.15Å; T306-T310 WeakPolarHBondContact O-CG2 3.41Å; T306-T310 PolarHBondContact O-N 2.78Å; T306-T310 PolarHBondContact O-OG1 2.92Å; T306-E355 HydrophobicContact CG2-CB 3.79Å; T306-E359 WeakPolarHBondContact CB-OE2 3.29Å; T306-E359 HydrophobicContact CG2-CB 4.01Å; T306-E359 VanDerWaalsContact CG2-OE2 3.32Å; T306-E359 WeakPolarHBondContact CG2-OE2 3.35Å; T306-E359 PolarHBondContact OG1-OE2 3.09Å
307M34.7Very low43.5Very low77 Ų7771.2 Ų71.238%0.37941%0.406SS..Hα-helixtrans-69.1-36.4175.9-65.2-179.494.100113.8I303 L304 T305 T310 R311I303-M307 HydrophobicContact CG2-CG 4.31Å; I303-M307 HydrophobicContact CG2-SD 4.01Å; I303-M307 VanDerWaalsContact O-CG 3.31Å; I303-M307 WeakPolarHBondContact O-CG 3.31Å; I303-M307 PolarHBondContact O-N 3.45Å; L304-M307 CarbonylContact O-C 3.51Å; L304-M307 PolarHBondContact O-N 3.25Å; T305-M307 VanDerWaalsContact C-N 3.33Å; T305-M307 PolarHBondContact O-N 2.89Å; M307-T310 VanDerWaalsContact C-OG1 3.31Å; M307-T310 WeakPolarHBondContact CA-OG1 3.38Å; M307-T310 CarbonylContact O-C 3.58Å; M307-T310 PolarHBondContact O-N 3.26Å; M307-T310 PolarHBondContact O-OG1 2.92Å; M307-R311 WeakPolarHBondContact O-CB 3.33Å; M307-R311 PolarHBondContact O-N 2.79Å
308L35.4Very low41.2Very low60 Ų6075.9 Ų75.931%0.31444%0.442SS..Hα-helixtrans-79.4-33.3-177.7-78.2172.8000112.1L304 T305 T310 R311 N312L304-L308 HydrophobicContact CD1-CD1 4.32Å; L304-L308 HydrophobicContact CD1-CG 4.12Å; L304-L308 HydrophobicContact CD2-CD1 4.17Å; L304-L308 HydrophobicContact CG-CD1 3.82Å; L304-L308 HydrophobicContact CG-CG 4.07Å; L304-L308 VanDerWaalsContact O-CB 3.29Å; L304-L308 WeakPolarHBondContact O-CB 3.1Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 2.85Å; T305-L308 PolarHBondContact O-N 2.96Å; L308-T310 PolarHBondContact O-N 3.13Å; L308-R311 PolarHBondContact O-N 2.74Å; L308-R311 VanDerWaalsContact O-N 3.14Å; L308-N312 PolarHBondContact O-N 3.42Å
309A34.2Very low39Very low37 Ų3775 Ų7531%0.30646%0.459SS..Hα-helixtrans-56.6-32.5165.400000110.6T305T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.47Å; T305-A309 PolarHBondContact O-N 2.78Å
310T34.3Very low37.4Very low25 Ų2577.1 Ų77.115%0.15348%0.479CS..Hα-helixtrans-89.2-18.2173.862.70000114.8T306 M307 L308 H411 T412T306-T310 WeakPolarHBondContact O-CG2 3.41Å; T306-T310 PolarHBondContact O-N 2.78Å; T306-T310 PolarHBondContact O-OG1 2.92Å; M307-T310 VanDerWaalsContact C-OG1 3.31Å; M307-T310 WeakPolarHBondContact CA-OG1 3.38Å; M307-T310 CarbonylContact O-C 3.58Å; M307-T310 PolarHBondContact O-N 3.26Å; M307-T310 PolarHBondContact O-OG1 2.92Å; L308-T310 PolarHBondContact O-N 3.13Å; T310-H411 WeakPolarHBondContact O-CA 3.22Å; T310-H411 WeakPolarHBondContact O-CB 3.33Å; T310-H411 PolarHBondContact O-CD2 2.94Å; T310-H411 PolarHBondContact O-NE2 2.76Å; T310-T412 VanDerWaalsContact CB-O 3.3Å; T310-T412 WeakPolarHBondContact CB-O 2.97Å; T310-T412 PolarHBondContact O-N 3.45Å; T310-T412 PolarHBondContact OG1-O 3.05Å
311R33.2Very low35.8Very low154 Ų15479.8 Ų79.858%0.58150%0.499SS*.Hα-helixtrans-103.4-19.5-169.7-149.7172.9113.3169.74.9117.9M307 L308 F313 S314 H411M307-R311 WeakPolarHBondContact O-CB 3.33Å; M307-R311 PolarHBondContact O-N 2.79Å; L308-R311 PolarHBondContact O-N 2.74Å; L308-R311 VanDerWaalsContact O-N 3.14Å; R311-F313 VanDerWaalsContact C-N 3.26Å; R311-F313 PolarHBondContact O-N 2.85Å; R311-S314 PolarHBondContact O-OG 3.4Å; R311-S314 VanDerWaalsContact O-OG 3.04Å; R311-H411 WeakPolarHBondContact CA-CD2 3.32Å; R311-H411 WeakPolarHBondContact CA-NE2 3.4Å; R311-H411 PolarHBondContact O-CD2 2.82Å; R311-H411 VanDerWaalsContact O-CD2 3.22Å; R311-H411 PolarHBondContact O-NE2 2.91Å; R311-H411 VanDerWaalsContact O-NE2 3.08Å
312N31.6Very low34.4Very low89 Ų8988.5 Ų88.548%0.47653%0.529SS..THydrogen-bonded Turntrans-7822.1-168.2-88.8-26.9000117.7F24 L308F24-N312 HydrophobicContact CZ-CB 4.23Å; L308-N312 PolarHBondContact O-N 3.42Å
313F34.6Very low33.3Very low81 Ų8196 Ų9636%0.35555%0.553SS.*THydrogen-bonded Turntrans-116.83.8173.2-92.7-88.7000115R311 G315 P409 H411R311-F313 VanDerWaalsContact C-N 3.26Å; R311-F313 PolarHBondContact O-N 2.85Å; F313-G315 PolarHBondContact O-N 3.2Å; F313-P409 HydrophobicContact CD1-CB 4.29Å; F313-P409 HydrophobicContact CD1-CG 4Å; F313-P409 HydrophobicContact CD2-CB 3.59Å; F313-P409 HydrophobicContact CD2-CG 4.15Å; F313-P409 HydrophobicContact CE1-CB 3.94Å; F313-P409 HydrophobicContact CE1-CG 3.37Å; F313-P409 HydrophobicContact CE2-CB 3.18Å; F313-P409 HydrophobicContact CE2-CG 3.56Å; F313-P409 HydrophobicContact CG-CB 4.14Å; F313-P409 HydrophobicContact CG-CG 4.37Å; F313-P409 HydrophobicContact CZ-CB 3.41Å; F313-P409 VanDerWaalsContact CZ-CB 3.41Å; F313-P409 HydrophobicContact CZ-CG 3.15Å; F313-H411 HydrophobicContact CB-CB 4.14Å
314S32.2Very low32.3Very low76 Ų7699.8 Ų99.853%0.53159%0.588SS.*  trans-9183.9175.634.80000111.6R311 H411R311-S314 PolarHBondContact O-OG 3.4Å; R311-S314 VanDerWaalsContact O-OG 3.04Å; S314-H411 PolarHBondContact OG-NE2 3.14Å; S314-H411 VanDerWaalsContact OG-NE2 3.09Å
315G27.5Very low31.5Very low79 Ų79103.6 Ų103.681%0.81461%0.608SS**  trans-133.883173.400000112.5F313F313-G315 PolarHBondContact O-N 3.2Å
316G27.7Very low30.6Very low77 Ų77104.1 Ų104.179%0.79463%0.627SS**  trans-135134.117500000111.8
317K30.2Very low30.1Very low212 Ų212110.6 Ų110.692%0.92267%0.665SS**  trans-61.8148.6-167.7-73.8171.3172.5174.10115
318S31.3Very low29.9Very low122 Ų122116.1 Ų116.185%0.85369%0.687SS**  trans-59.5126.4165.3179.30000111.2
319G26.1Very low29.3Very low74 Ų74122.6 Ų122.676%0.76372%0.716SS**  trans-115.2134.4166.600000110
320S26.1Very low28.8Very low107 Ų107125.8 Ų125.875%0.74874%0.736SS**  trans-83.3155.6-170.9-44.30000114.5
321N28.4Very low28.6Very low156 Ų156129.3 Ų129.383%0.83476%0.762SS**  trans77.6115.1158.2-69.4-9.3000120.8
322K27.2Very low28.3Very low209 Ų209131.1 Ų131.191%0.90978%0.777SS**  -171.8148.394.5-103.4177.6179.11770113
323K30.4Very low28Very low203 Ų203131.6 Ų131.688%0.88379%0.787SS**  trans-61.2146.9174.9-70.2178.5171.8-175.80112.5
324A28.1Very low27.8Very low102 Ų102134 Ų13484%0.84381%0.808SS**  trans-141.2128.8147.100000109.1
325D26.9Very low27.5Very low160 Ų160136.9 Ų136.986%0.85682%0.818SS**  trans-66.6156.5178.8-75.9-50000112.8
326G25.9Very low27.6Very low74 Ų74139 Ų13976%0.76382%0.816SS**  trans-82.3172.7-164.900000117.3
327V26.7Very low28.1Very low148 Ų148140.8 Ų140.890%0.89781%0.811SS**  trans-145.1126.1154.21780000107.1
328K30.3Very low28.8Very low193 Ų193138.6 Ų138.684%0.83981%0.808SS**  trans-83.5161.3166.5-81.1179.8173.7179.40109.6
329E23.7Very low29.9Very low197 Ų197137.5 Ų137.592%0.92179%0.789SS**  trans112.9136.8167.6-70.6-177.8179.400112.5
330S23.1Very low31.9Very low103 Ų103138.7 Ų138.772%0.7278%0.778SS**  cis-157.3158.61.11760000108.5
331S30.5Very low34.1Very low99 Ų99138.8 Ų138.869%0.69277%0.766SS**  trans-56137.2169.146.60000115
332E25.3Very low36.3Very low193 Ų193135 Ų13590%0.90275%0.746SS**  trans165.3131.4142.5-95175.4-174.800105.2
333S25.4Very low38.7Very low98 Ų98126.8 Ų126.869%0.68571%0.714SS**  cis-157134.222.350.20000109.2N335S333-N335 PolarHBondContact O-N 3.05Å; S333-N335 VanDerWaalsContact O-N 3.13Å
334T30Very low41Very low131 Ų131121.6 Ų121.680%0.80469%0.689SS**  trans-62.7100.9169.3-26.60000109.7
335N27.5Very low43.5Very low138 Ų138120.4 Ų120.474%0.73867%0.671SS**  trans-134.165.9161.9-86.2-23.8000108.3S333 T337S333-N335 PolarHBondContact O-N 3.05Å; S333-N335 VanDerWaalsContact O-N 3.13Å; N335-T337 PolarHBondContact O-N 2.83Å
336T29.8Very low46.2Very low124 Ų124115.7 Ų115.776%0.76164%0.641SS**  trans-70.381.5156.928.70000107.7I338T336-I338 PolarHBondContact O-N 3.25Å; T336-I338 VanDerWaalsContact O-N 3.16Å
337T37.1Very low49.1Very low114 Ų114114.6 Ų114.670%0.69962%0.615SS**  trans-60112151.145.40000105.6N335 E339N335-T337 PolarHBondContact O-N 2.83Å; T337-E339 VanDerWaalsContact C-N 3.32Å; T337-E339 PolarHBondContact O-N 2.9Å
338I44Very low51.9Low166 Ų166111.3 Ų111.385%0.85159%0.59SS**  trans-56.6103169.2-61.3168.6000104.9T336 D340T336-I338 PolarHBondContact O-N 3.25Å; T336-I338 VanDerWaalsContact O-N 3.16Å; I338-D340 PolarHBondContact O-N 2.82Å
339E54.9Low54.7Low99 Ų99105.1 Ų105.146%0.46357%0.566SS.*  trans-59.4125.8174-69.2-165.5169.300107.1T337 E341 K347T337-E339 VanDerWaalsContact C-N 3.32Å; T337-E339 PolarHBondContact O-N 2.9Å; E339-E341 PolarHBondContact O-N 2.83Å; E339-K347 IonicContact OE1-NZ 3.94Å; E339-K347 PolarHBondContact OE1-NZ 3.41Å; E339-K347 IonicContact OE2-NZ 3.91Å; E339-K347 PolarHBondContact OE2-NZ 2.79Å
340D68.1Low57.9Low99 Ų9995.8 Ų95.853%0.52952%0.522SS..  trans-52135174.4-1770.1000109.4I338 D342 T343 R344I338-D340 PolarHBondContact O-N 2.82Å; D340-D342 PolarHBondContact O-N 2.93Å; D340-D342 VanDerWaalsContact O-N 3.13Å; D340-D342 PolarHBondContact OD1-N 3.28Å; D340-T343 WeakPolarHBondContact O-CA 3.38Å; D340-T343 VanDerWaalsContact O-CB 3.28Å; D340-T343 WeakPolarHBondContact O-CB 3.42Å; D340-T343 PolarHBondContact O-N 2.71Å; D340-R344 PolarHBondContact O-N 2.66Å
341E73Confident60.9Low108 Ų10893 Ų9351%0.50550%0.499SS..Hα-helixtrans-52.7-35.9179.3-81.9-67.5166.100111.5E339 R344 V345E339-E341 PolarHBondContact O-N 2.83Å; E341-R344 WeakPolarHBondContact O-CB 3.43Å; E341-R344 PolarHBondContact O-N 2.87Å; E341-R344 IonicContact OE1-CZ 3.44Å; E341-R344 IonicContact OE1-NE 3.71Å; E341-R344 IonicContact OE1-NH2 2.79Å; E341-R344 PolarHBondContact OE1-NH2 3.31Å; E341-R344 IonicContact OE2-CZ 3.42Å; E341-R344 IonicContact OE2-NE 3.08Å; E341-R344 PolarHBondContact OE2-NE 2.8Å; E341-R344 IonicContact OE2-NH2 3.73Å; E341-R344 PolarHBondContact OE2-NH2 3.04Å; E341-V345 WeakPolarHBondContact O-CG2 3.46Å; E341-V345 PolarHBondContact O-N 2.95Å
342D75.3Confident63.4Low77 Ų7791 Ų9141%0.41248%0.478SS..Hα-helixtrans-66.1-40.4175.5-179.452.6000112.6D340 R344 V345 R346D340-D342 PolarHBondContact O-N 2.93Å; D340-D342 VanDerWaalsContact O-N 3.13Å; D340-D342 PolarHBondContact OD1-N 3.28Å; D342-R344 VanDerWaalsContact C-N 3.28Å; D342-R344 PolarHBondContact O-N 3.24Å; D342-V345 PolarHBondContact O-N 3.41Å; D342-R346 WeakPolarHBondContact O-CB 3.28Å; D342-R346 WeakPolarHBondContact O-CG 3.4Å; D342-R346 PolarHBondContact O-N 2.99Å; D342-R346 IonicContact OD1-NE 2.83Å; D342-R346 IonicContact OD2-CZ 3.04Å; D342-R346 IonicContact OD2-NE 3.76Å; D342-R346 PolarHBondContact OD2-NE 3.32Å; D342-R346 IonicContact OD2-NH2 3.98Å; D342-R346 PolarHBondContact OD2-NH2 2.96Å
343T76.8Confident66.6Low37 Ų3782.5 Ų82.523%0.22744%0.439CS..Hα-helixtrans-62.3-39.7174.2-63.50000110.7D340 R346 K347 L421D340-T343 WeakPolarHBondContact O-CA 3.38Å; D340-T343 VanDerWaalsContact O-CB 3.28Å; D340-T343 WeakPolarHBondContact O-CB 3.42Å; D340-T343 PolarHBondContact O-N 2.71Å; T343-R346 PolarHBondContact O-N 3.41Å; T343-K347 HydrophobicContact CG2-CD 4.46Å; T343-K347 WeakPolarHBondContact O-CG 3.41Å; T343-K347 PolarHBondContact O-N 3.38Å; T343-L421 HydrophobicContact CG2-CD1 4.01Å
344R79.1Confident69.8Low94 Ų9477.9 Ų77.936%0.35541%0.407SS..Hα-helixtrans-65.2-45.7178.2-170.3171.872.7147.92.2111.9E216 D340 E341 D342 K347 Q348E216-R344 IonicContact OE1-CZ 3.78Å; E216-R344 IonicContact OE1-NH1 3.15Å; E216-R344 PolarHBondContact OE1-NH1 3.3Å; E216-R344 IonicContact OE1-NH2 2.71Å; E216-R344 IonicContact OE2-NH1 2.79Å; E216-R344 PolarHBondContact OE2-NH1 3.2Å; D340-R344 PolarHBondContact O-N 2.66Å; E341-R344 WeakPolarHBondContact O-CB 3.43Å; E341-R344 PolarHBondContact O-N 2.87Å; E341-R344 IonicContact OE1-CZ 3.44Å; E341-R344 IonicContact OE1-NE 3.71Å; E341-R344 IonicContact OE1-NH2 2.79Å; E341-R344 PolarHBondContact OE1-NH2 3.31Å; E341-R344 IonicContact OE2-CZ 3.42Å; E341-R344 IonicContact OE2-NE 3.08Å; E341-R344 PolarHBondContact OE2-NE 2.8Å; E341-R344 IonicContact OE2-NH2 3.73Å; E341-R344 PolarHBondContact OE2-NH2 3.04Å; D342-R344 VanDerWaalsContact C-N 3.28Å; D342-R344 PolarHBondContact O-N 3.24Å; R344-K347 PolarHBondContact O-N 2.8Å; R344-Q348 PolarHBondContact O-N 2.82Å
345V80.6Confident72.3Confident77 Ų7772.7 Ų72.747%0.46737%0.373SS..Hα-helixtrans-62-45.5176172.60000110.8E341 D342 K347 Q348 D349E341-V345 WeakPolarHBondContact O-CG2 3.46Å; E341-V345 PolarHBondContact O-N 2.95Å; D342-V345 PolarHBondContact O-N 3.41Å; V345-K347 PolarHBondContact O-N 2.84Å; V345-Q348 WeakPolarHBondContact O-CB 3.37Å; V345-Q348 PolarHBondContact O-N 3.43Å; V345-Q348 VanDerWaalsContact O-N 3.14Å; V345-D349 PolarHBondContact O-N 3.28Å
346R83.9Confident75.1Confident61 Ų6170 Ų7023%0.2336%0.356CS..Hα-helixtrans-61.8-43.3177.7-75.2-168.3-85.9176-12.4112.9D342 T343 Q348 D349 I350 L421 D424D342-R346 WeakPolarHBondContact O-CB 3.28Å; D342-R346 WeakPolarHBondContact O-CG 3.4Å; D342-R346 PolarHBondContact O-N 2.99Å; D342-R346 IonicContact OD1-NE 2.83Å; D342-R346 IonicContact OD2-CZ 3.04Å; D342-R346 IonicContact OD2-NE 3.76Å; D342-R346 PolarHBondContact OD2-NE 3.32Å; D342-R346 IonicContact OD2-NH2 3.98Å; D342-R346 PolarHBondContact OD2-NH2 2.96Å; T343-R346 PolarHBondContact O-N 3.41Å; R346-Q348 VanDerWaalsContact C-N 3.3Å; R346-Q348 PolarHBondContact O-N 3.14Å; R346-D349 WeakPolarHBondContact O-CB 3.41Å; R346-D349 PolarHBondContact O-N 2.89Å; R346-I350 WeakPolarHBondContact O-CG1 3.48Å; R346-I350 PolarHBondContact O-N 3.13Å; R346-I350 VanDerWaalsContact O-N 3.11Å; R346-L421 HydrophobicContact CB-CD1 3.79Å; R346-L421 HydrophobicContact CB-CD2 4.45Å; R346-D424 IonicContact CZ-OD1 3.53Å; R346-D424 IonicContact NH1-OD1 3.75Å; R346-D424 PolarHBondContact NH1-OD1 3.42Å; R346-D424 IonicContact NH2-OD1 2.69Å
347K86.8Confident78Confident50 Ų5064 Ų6422%0.21732%0.32CS..Hα-helixtrans-59.6-42.5173.4-75.6-179.2-178.61780111.4E339 T343 R344 V345 D349 I350 I351 I419 L421E339-K347 IonicContact OE1-NZ 3.94Å; E339-K347 PolarHBondContact OE1-NZ 3.41Å; E339-K347 IonicContact OE2-NZ 3.91Å; E339-K347 PolarHBondContact OE2-NZ 2.79Å; T343-K347 HydrophobicContact CG2-CD 4.46Å; T343-K347 WeakPolarHBondContact O-CG 3.41Å; T343-K347 PolarHBondContact O-N 3.38Å; R344-K347 PolarHBondContact O-N 2.8Å; V345-K347 PolarHBondContact O-N 2.84Å; K347-D349 VanDerWaalsContact C-N 3.3Å; K347-D349 PolarHBondContact O-N 2.79Å; K347-I350 PolarHBondContact O-N 2.78Å; K347-I351 WeakPolarHBondContact O-CG1 3.49Å; K347-I351 PolarHBondContact O-N 3.03Å; K347-I419 HydrophobicContact CB-CD1 4.11Å; K347-I419 HydrophobicContact CG-CB 4.27Å; K347-I419 HydrophobicContact CG-CD1 4.47Å; K347-I419 HydrophobicContact CG-CG2 4.09Å; K347-I419 WeakPolarHBondContact O-CD1 3.43Å; K347-L421 HydrophobicContact CG-CD1 4.23Å; K347-L421 HydrophobicContact CG-CG 4.36Å
348Q85.1Confident80.3Confident79 Ų7958.9 Ų58.937%0.36929%0.288SS..Hα-helixtrans-63.4-35.6178.1-172.160.171.500112.6R344 V345 R346 I351 K352R344-Q348 PolarHBondContact O-N 2.82Å; V345-Q348 WeakPolarHBondContact O-CB 3.37Å; V345-Q348 PolarHBondContact O-N 3.43Å; V345-Q348 VanDerWaalsContact O-N 3.14Å; R346-Q348 VanDerWaalsContact C-N 3.3Å; R346-Q348 PolarHBondContact O-N 3.14Å; Q348-I351 PolarHBondContact O-N 3.38Å; Q348-K352 WeakPolarHBondContact O-CB 3.42Å; Q348-K352 PolarHBondContact O-N 2.96Å
349D87.9Confident81.9Confident64 Ų6453 Ų5334%0.34226%0.257SS..Hα-helixtrans-65.1-40.1173.4-78-14.2000112.2V345 R346 K347 K352 V353V345-D349 PolarHBondContact O-N 3.28Å; R346-D349 WeakPolarHBondContact O-CB 3.41Å; R346-D349 PolarHBondContact O-N 2.89Å; K347-D349 VanDerWaalsContact C-N 3.3Å; K347-D349 PolarHBondContact O-N 2.79Å; D349-K352 WeakPolarHBondContact O-CB 3.43Å; D349-K352 PolarHBondContact O-N 3.44Å; D349-V353 PolarHBondContact O-N 3.16Å
350I91.1Very high83.3Confident0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-66.1-40.8175.5-63.2-56.9000111.9R346 K347 K352 V353 T354 I419 L421 A427 I429 W455 W462R346-I350 WeakPolarHBondContact O-CG1 3.48Å; R346-I350 PolarHBondContact O-N 3.13Å; R346-I350 VanDerWaalsContact O-N 3.11Å; K347-I350 PolarHBondContact O-N 2.78Å; I350-K352 VanDerWaalsContact C-N 3.3Å; I350-K352 PolarHBondContact O-N 3.04Å; I350-V353 WeakPolarHBondContact O-CG1 3.44Å; I350-T354 WeakPolarHBondContact O-CB 3.36Å; I350-T354 PolarHBondContact O-N 2.76Å; I350-T354 VanDerWaalsContact O-N 3.1Å; I350-T354 PolarHBondContact O-OG1 3.21Å; I350-I419 HydrophobicContact CB-CD1 4.2Å; I350-I419 HydrophobicContact CB-CG2 4.35Å; I350-I419 HydrophobicContact CG2-CD1 4.16Å; I350-I419 HydrophobicContact CG2-CG1 4.25Å; I350-I419 HydrophobicContact CG2-CG2 4.14Å; I350-L421 HydrophobicContact CG1-CD2 4.17Å; I350-A427 HydrophobicContact CD1-CB 3.5Å; I350-A427 HydrophobicContact CG1-CB 3.66Å; I350-A427 HydrophobicContact CG2-CB 4.46Å; I350-I429 HydrophobicContact CG2-CB 4.06Å; I350-I429 HydrophobicContact CG2-CD1 4.41Å; I350-I429 HydrophobicContact CG2-CG2 4.26Å; I350-W455 HydrophobicContact CD1-CB 4.33Å; I350-W455 HydrophobicContact CD1-CG 4.48Å; I350-W462 HydrophobicContact CD1-CD2 3.88Å; I350-W462 HydrophobicContact CD1-CE3 4.07Å; I350-W462 HydrophobicContact CD1-CH2 3.91Å; I350-W462 HydrophobicContact CD1-CZ2 3.71Å; I350-W462 HydrophobicContact CD1-CZ3 4.07Å
351I86.1Confident84Confident44 Ų4444.4 Ų44.423%0.22622%0.215CC..Hα-helixtrans-57-49.9172.5-66.4175.2000109.3K347 Q348 V353 T354 E355 I419K347-I351 WeakPolarHBondContact O-CG1 3.49Å; K347-I351 PolarHBondContact O-N 3.03Å; Q348-I351 PolarHBondContact O-N 3.38Å; I351-V353 PolarHBondContact O-N 2.79Å; I351-T354 WeakPolarHBondContact O-CB 3.39Å; I351-T354 PolarHBondContact O-N 3.47Å; I351-T354 VanDerWaalsContact O-N 3.17Å; I351-E355 HydrophobicContact CG2-CG 4.3Å; I351-E355 WeakPolarHBondContact O-CG 3.41Å; I351-E355 PolarHBondContact O-N 2.7Å; I351-I419 HydrophobicContact CD1-CD1 4.07Å; I351-I419 HydrophobicContact CG1-CD1 3.45Å; I351-I419 VanDerWaalsContact CG1-CD1 3.45Å
352K83.1Confident84.3Confident58 Ų5841.8 Ų41.825%0.25221%0.208SC..Hα-helixtrans-60-49.1-176.6178.6-176177.2-172.60112.7L299 I303 Q348 D349 I350 T354 E355 Q356L299-K352 HydrophobicContact CD1-CD 3.7Å; I303-K352 HydrophobicContact CG1-CG 4.44Å; Q348-K352 WeakPolarHBondContact O-CB 3.42Å; Q348-K352 PolarHBondContact O-N 2.96Å; D349-K352 WeakPolarHBondContact O-CB 3.43Å; D349-K352 PolarHBondContact O-N 3.44Å; I350-K352 VanDerWaalsContact C-N 3.3Å; I350-K352 PolarHBondContact O-N 3.04Å; K352-T354 PolarHBondContact O-N 3.29Å; K352-E355 PolarHBondContact O-N 3.46Å; K352-Q356 WeakPolarHBondContact O-CG 3.46Å; K352-Q356 PolarHBondContact O-N 2.72Å
353V92.7Very high84.2Confident14 Ų1441.7 Ų41.79%0.08521%0.208CC..Hα-helixtrans-67.2-30.2-179.573.30000111.3D349 I350 I351 L357 W455 W462D349-V353 PolarHBondContact O-N 3.16Å; I350-V353 WeakPolarHBondContact O-CG1 3.44Å; I351-V353 PolarHBondContact O-N 2.79Å; V353-L357 PolarHBondContact O-N 3.42Å; V353-W455 HydrophobicContact CB-CH2 4.08Å; V353-W455 HydrophobicContact CB-CZ2 4.42Å; V353-W455 HydrophobicContact CB-CZ3 4.21Å; V353-W455 HydrophobicContact CG1-CD2 3.81Å; V353-W455 HydrophobicContact CG1-CE3 3.87Å; V353-W455 HydrophobicContact CG1-CH2 3.75Å; V353-W455 HydrophobicContact CG1-CZ2 3.72Å; V353-W455 HydrophobicContact CG1-CZ3 3.82Å; V353-W455 HydrophobicContact CG2-CE3 4.17Å; V353-W455 HydrophobicContact CG2-CH2 3.49Å; V353-W455 VanDerWaalsContact CG2-CH2 3.49Å; V353-W455 HydrophobicContact CG2-CZ2 4.29Å; V353-W455 HydrophobicContact CG2-CZ3 3.4Å; V353-W455 VanDerWaalsContact CG2-CZ3 3.4Å; V353-W462 HydrophobicContact CG1-CB 4.29Å; V353-W462 HydrophobicContact CG2-CB 4.1Å
354T92.3Very high84.3Confident1 Ų141.1 Ų41.11%0.00621%0.209CC..Hα-helixtrans-68.3-40172.9-54.30000112.3I350 I351 K352 L357 I358 I429 Y431 W455I350-T354 WeakPolarHBondContact O-CB 3.36Å; I350-T354 PolarHBondContact O-N 2.76Å; I350-T354 VanDerWaalsContact O-N 3.1Å; I350-T354 PolarHBondContact O-OG1 3.21Å; I351-T354 WeakPolarHBondContact O-CB 3.39Å; I351-T354 PolarHBondContact O-N 3.47Å; I351-T354 VanDerWaalsContact O-N 3.17Å; K352-T354 PolarHBondContact O-N 3.29Å; T354-L357 WeakPolarHBondContact O-CB 3.26Å; T354-L357 PolarHBondContact O-N 3.02Å; T354-I358 HydrophobicContact CG2-CD1 4.47Å; T354-I358 WeakPolarHBondContact O-CG1 3.39Å; T354-I358 PolarHBondContact O-N 2.98Å; T354-I358 VanDerWaalsContact O-N 3.12Å; T354-I429 HydrophobicContact CG2-CD1 4.26Å; T354-I429 HydrophobicContact CG2-CG2 4.29Å; T354-Y431 HydrophobicContact CG2-CD1 4.45Å; T354-Y431 HydrophobicContact CG2-CE1 3.62Å; T354-W455 PolarHBondContact OG1-NE1 3.26Å
355E83.2Confident84.5Confident23 Ų2339.3 Ų39.311%0.10721%0.206CC..Hα-helixtrans-65-43.5174.6-72.4174.9154.100111.8I303 T306 I351 K352 L357 I358 E359 I414I303-E355 WeakPolarHBondContact CG2-OE2 3.42Å; T306-E355 HydrophobicContact CG2-CB 3.79Å; I351-E355 HydrophobicContact CG2-CG 4.3Å; I351-E355 WeakPolarHBondContact O-CG 3.41Å; I351-E355 PolarHBondContact O-N 2.7Å; K352-E355 PolarHBondContact O-N 3.46Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 3.26Å; E355-I358 PolarHBondContact O-N 3.37Å; E355-E359 PolarHBondContact O-N 2.79Å; E355-I414 HydrophobicContact CG-CD1 4.24Å
356Q85.3Confident84.8Confident80 Ų8037.2 Ų37.237%0.37419%0.191SC..Hα-helixtrans-60.1-39.2175.6-72.5179.2-13.200112.3K352 E359 A360 M372K352-Q356 WeakPolarHBondContact O-CG 3.46Å; K352-Q356 PolarHBondContact O-N 2.72Å; Q356-E359 PolarHBondContact O-N 2.69Å; Q356-A360 PolarHBondContact O-N 3.15Å; Q356-M372 HydrophobicContact CB-SD 4.01Å
357L91.4Very high85.1Confident0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-59.5-51.7173-179.977.8000111.8V353 T354 E355 E359 A360 I361 Y369 M372 W455 I464V353-L357 PolarHBondContact O-N 3.42Å; T354-L357 WeakPolarHBondContact O-CB 3.26Å; T354-L357 PolarHBondContact O-N 3.02Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 3.26Å; L357-E359 PolarHBondContact O-N 2.79Å; L357-A360 PolarHBondContact O-N 2.71Å; L357-A360 VanDerWaalsContact O-N 3.16Å; L357-I361 HydrophobicContact CD2-CD1 4.43Å; L357-I361 HydrophobicContact CG-CD1 4.07Å; L357-I361 WeakPolarHBondContact O-CG1 3.35Å; L357-I361 PolarHBondContact O-N 3.43Å; L357-Y369 HydrophobicContact CD1-CD2 3.68Å; L357-Y369 HydrophobicContact CD1-CE2 3.72Å; L357-M372 HydrophobicContact CB-CE 4.34Å; L357-M372 HydrophobicContact CB-SD 4.37Å; L357-M372 HydrophobicContact CD1-CB 4.35Å; L357-M372 HydrophobicContact CD1-CE 4.14Å; L357-W455 HydrophobicContact CB-CH2 4.29Å; L357-W455 HydrophobicContact CB-CZ2 4.48Å; L357-W455 HydrophobicContact CD2-CZ2 4.44Å; L357-I464 HydrophobicContact CD1-CD1 3.44Å; L357-I464 VanDerWaalsContact CD1-CD1 3.44Å; L357-I464 HydrophobicContact CD2-CD1 3.21Å; L357-I464 HydrophobicContact CG-CD1 3.84Å
358I86.8Confident85.2Confident5 Ų539.9 Ų39.93%0.02621%0.211CC..Hα-helixtrans-62.9-34.2-178.5-67177.1000110.8T354 E355 I361 S362 T412 I414 Y431T354-I358 HydrophobicContact CG2-CD1 4.47Å; T354-I358 WeakPolarHBondContact O-CG1 3.39Å; T354-I358 PolarHBondContact O-N 2.98Å; T354-I358 VanDerWaalsContact O-N 3.12Å; E355-I358 PolarHBondContact O-N 3.37Å; I358-I361 PolarHBondContact O-N 3.2Å; I358-S362 WeakPolarHBondContact O-CB 3.44Å; I358-S362 PolarHBondContact O-N 2.81Å; I358-S362 PolarHBondContact O-OG 2.87Å; I358-T412 HydrophobicContact CG2-CG2 3.83Å; I358-I414 HydrophobicContact CD1-CD1 3.54Å; I358-I414 HydrophobicContact CD1-CG1 3.88Å; I358-Y431 HydrophobicContact CD1-CE2 3.88Å
359E76.6Confident85.6Confident43 Ų4336.5 Ų36.520%0.20120%0.195CC..Hα-helixtrans-64.1-47.4173.1-175.1177.4170.900112.2T306 E355 Q356 L357 I361 S362 N363T306-E359 WeakPolarHBondContact CB-OE2 3.29Å; T306-E359 HydrophobicContact CG2-CB 4.01Å; T306-E359 VanDerWaalsContact CG2-OE2 3.32Å; T306-E359 WeakPolarHBondContact CG2-OE2 3.35Å; T306-E359 PolarHBondContact OG1-OE2 3.09Å; E355-E359 PolarHBondContact O-N 2.79Å; Q356-E359 PolarHBondContact O-N 2.69Å; L357-E359 PolarHBondContact O-N 2.79Å; E359-I361 VanDerWaalsContact C-N 3.28Å; E359-I361 PolarHBondContact O-N 3.13Å; E359-S362 PolarHBondContact O-N 2.78Å; E359-N363 VanDerWaalsContact CG-ND2 3.34Å; E359-N363 WeakPolarHBondContact CG-ND2 3.32Å; E359-N363 WeakPolarHBondContact O-CB 3.48Å; E359-N363 PolarHBondContact O-N 2.9Å; E359-N363 PolarHBondContact O-ND2 2.9Å
360A83.6Confident85.9Confident4 Ų436 Ų363%0.03319%0.194CC..Hα-helixtrans-58.3-43177.300000111.3Q356 L357 G364 D365 M372Q356-A360 PolarHBondContact O-N 3.15Å; L357-A360 PolarHBondContact O-N 2.71Å; L357-A360 VanDerWaalsContact O-N 3.16Å; A360-G364 PolarHBondContact O-N 3.38Å; A360-D365 PolarHBondContact O-N 2.76Å; A360-M372 HydrophobicContact CB-CE 3.53Å
361I84.5Confident86Confident14 Ų1442.2 Ų42.27%0.07222%0.221CC..Hα-helixtrans-61.5-50.3174.9-63.7166.1000110.8L357 I358 E359 N363 G364 Y369 F399 W403L357-I361 HydrophobicContact CD2-CD1 4.43Å; L357-I361 HydrophobicContact CG-CD1 4.07Å; L357-I361 WeakPolarHBondContact O-CG1 3.35Å; L357-I361 PolarHBondContact O-N 3.43Å; I358-I361 PolarHBondContact O-N 3.2Å; E359-I361 VanDerWaalsContact C-N 3.28Å; E359-I361 PolarHBondContact O-N 3.13Å; I361-N363 VanDerWaalsContact C-N 3.27Å; I361-N363 PolarHBondContact O-N 2.87Å; I361-G364 PolarHBondContact O-N 3.22Å; I361-G364 VanDerWaalsContact O-N 3.14Å; I361-Y369 HydrophobicContact CD1-CD2 4.42Å; I361-Y369 HydrophobicContact CD1-CE2 4.06Å; I361-Y369 HydrophobicContact CG1-CD2 3.85Å; I361-Y369 HydrophobicContact CG1-CE2 3.92Å; I361-F399 HydrophobicContact CB-CZ 4.44Å; I361-F399 HydrophobicContact CG1-CZ 4.07Å; I361-W403 HydrophobicContact CG2-CE3 4.41Å; I361-W403 HydrophobicContact CG2-CH2 3.83Å; I361-W403 HydrophobicContact CG2-CZ2 3.9Å; I361-W403 HydrophobicContact CG2-CZ3 4.09Å
362S77.4Confident86.4Confident53 Ų5341.2 Ų41.237%0.37122%0.216SC..Hα-helixtrans-65.1-30.9-175.9-570000112.8I358 E359I358-S362 WeakPolarHBondContact O-CB 3.44Å; I358-S362 PolarHBondContact O-N 2.81Å; I358-S362 PolarHBondContact O-OG 2.87Å; E359-S362 PolarHBondContact O-N 2.78Å
363N73.5Confident87Confident75 Ų7538.5 Ų38.540%0.40120%0.204SC..Hα-helixtrans-86.7-7.3178.3-74.1-33.9000113.8E359 I361 D365E359-N363 VanDerWaalsContact CG-ND2 3.34Å; E359-N363 WeakPolarHBondContact CG-ND2 3.32Å; E359-N363 WeakPolarHBondContact O-CB 3.48Å; E359-N363 PolarHBondContact O-N 2.9Å; E359-N363 PolarHBondContact O-ND2 2.9Å; I361-N363 VanDerWaalsContact C-N 3.27Å; I361-N363 PolarHBondContact O-N 2.87Å; N363-D365 HydrophobicContact CB-CB 4.47Å; N363-D365 PolarHBondContact O-N 2.81Å
364G78.8Confident87.2Confident24 Ų2438.5 Ų38.525%0.24720%0.204CC..THydrogen-bonded Turntrans65.926.4-171.400000113.1A360 I361 F366 F399A360-G364 PolarHBondContact O-N 3.38Å; I361-G364 PolarHBondContact O-N 3.22Å; I361-G364 VanDerWaalsContact O-N 3.14Å; G364-F366 PolarHBondContact O-N 2.99Å; G364-F399 VanDerWaalsContact C-CD1 3.47Å
365D83.4Confident87.2Confident57 Ų5743.3 Ų43.331%0.30524%0.235SC..  trans-86.285.5179-177.8-2.9000110.8A360 N363 E367 S368 Y369A360-D365 PolarHBondContact O-N 2.76Å; N363-D365 HydrophobicContact CB-CB 4.47Å; N363-D365 PolarHBondContact O-N 2.81Å; D365-E367 VanDerWaalsContact C-N 3.29Å; D365-E367 PolarHBondContact O-N 3.08Å; D365-E367 PolarHBondContact OD1-N 3.19Å; D365-S368 VanDerWaalsContact CG-CB 3.47Å; D365-S368 VanDerWaalsContact CG-OG 3.26Å; D365-S368 PolarHBondContact OD1-N 3.11Å; D365-S368 PolarHBondContact OD1-OG 3.46Å; D365-S368 WeakPolarHBondContact OD2-CB 3.49Å; D365-S368 PolarHBondContact OD2-OG 2.95Å; D365-Y369 PolarHBondContact O-N 3.46Å; D365-Y369 VanDerWaalsContact O-N 3.1Å
366F88Confident87.6Confident33 Ų3344.4 Ų44.415%0.14525%0.248CC..Hα-helixtrans-68.3-27.2-178.6-170.9-111.1000113.3G364 Y369 T370 L392 R396 F399G364-F366 PolarHBondContact O-N 2.99Å; F366-Y369 HydrophobicContact CD2-CD1 4.18Å; F366-Y369 HydrophobicContact CE2-CD1 4.09Å; F366-Y369 PolarHBondContact O-N 3.03Å; F366-T370 WeakPolarHBondContact CE1-OG1 3.44Å; F366-T370 WeakPolarHBondContact O-CB 3.44Å; F366-T370 PolarHBondContact O-N 3.1Å; F366-T370 PolarHBondContact O-OG1 2.89Å; F366-L392 HydrophobicContact CZ-CB 4.33Å; F366-R396 HydrophobicContact CE1-CB 4.31Å; F366-R396 HydrophobicContact CE1-CG 4.1Å; F366-R396 VanDerWaalsContact CE1-CZ 3.47Å; F366-R396 VanDerWaalsContact CE1-NH1 3.32Å; F366-R396 HydrophobicContact CE2-CB 3.92Å; F366-R396 HydrophobicContact CE2-CG 4.43Å; F366-R396 HydrophobicContact CZ-CB 3.67Å; F366-R396 HydrophobicContact CZ-CG 3.97Å; F366-F399 HydrophobicContact CB-CB 3.98Å; F366-F399 HydrophobicContact CB-CD1 3.74Å; F366-F399 HydrophobicContact CB-CE1 4.4Å; F366-F399 HydrophobicContact CB-CG 3.9Å; F366-F399 HydrophobicContact CD2-CB 3.91Å; F366-F399 HydrophobicContact CD2-CD1 4.1Å; F366-F399 AromaticContact CD2-CD2 3.54Å; F366-F399 HydrophobicContact CD2-CD2 3.54Å; F366-F399 HydrophobicContact CD2-CE2 4.02Å; F366-F399 AromaticContact CD2-CG 3.59Å; F366-F399 HydrophobicContact CD2-CG 3.59Å; F366-F399 HydrophobicContact CE2-CD2 4.19Å; F366-F399 HydrophobicContact CG-CB 4.21Å; F366-F399 HydrophobicContact CG-CD1 4.43Å; F366-F399 HydrophobicContact CG-CG 4.16Å
367E89.6Confident88.1Confident127 Ų12740.7 Ų40.759%0.59323%0.231SC*.Hα-helixtrans-68-47.5179.3-167.6-167.9149.400110.4D365 T370 K371D365-E367 VanDerWaalsContact C-N 3.29Å; D365-E367 PolarHBondContact O-N 3.08Å; D365-E367 PolarHBondContact OD1-N 3.19Å; E367-T370 PolarHBondContact O-N 3.12Å; E367-K371 WeakPolarHBondContact O-CG 3.34Å; E367-K371 PolarHBondContact O-N 3.24Å; E367-K371 WeakPolarHBondContact OE1-CE 3.24Å; E367-K371 IonicContact OE1-NZ 3.41Å; E367-K371 PolarHBondContact OE1-NZ 3.41Å
368S90.1Very high88.1Confident40 Ų4042.5 Ų42.528%0.2824%0.242SC..Hα-helixtrans-64.3-41.9174.4-65.60000111.6D365 T370 K371 M372D365-S368 VanDerWaalsContact CG-CB 3.47Å; D365-S368 VanDerWaalsContact CG-OG 3.26Å; D365-S368 PolarHBondContact OD1-N 3.11Å; D365-S368 PolarHBondContact OD1-OG 3.46Å; D365-S368 WeakPolarHBondContact OD2-CB 3.49Å; D365-S368 PolarHBondContact OD2-OG 2.95Å; S368-T370 VanDerWaalsContact C-N 3.33Å; S368-T370 PolarHBondContact O-N 3.24Å; S368-K371 PolarHBondContact O-N 2.95Å; S368-M372 WeakPolarHBondContact O-CE 3.35Å; S368-M372 PolarHBondContact O-N 3.47Å
369Y92.2Very high88.3Confident8 Ų842.3 Ų42.33%0.03124%0.241CC..Hα-helixtrans-56.6-46176.1-177.5-100.3000112.2L357 I361 D365 F366 K371 M372 C373 L392 H395 F399L357-Y369 HydrophobicContact CD1-CD2 3.68Å; L357-Y369 HydrophobicContact CD1-CE2 3.72Å; I361-Y369 HydrophobicContact CD1-CD2 4.42Å; I361-Y369 HydrophobicContact CD1-CE2 4.06Å; I361-Y369 HydrophobicContact CG1-CD2 3.85Å; I361-Y369 HydrophobicContact CG1-CE2 3.92Å; D365-Y369 PolarHBondContact O-N 3.46Å; D365-Y369 VanDerWaalsContact O-N 3.1Å; F366-Y369 HydrophobicContact CD2-CD1 4.18Å; F366-Y369 HydrophobicContact CE2-CD1 4.09Å; F366-Y369 PolarHBondContact O-N 3.03Å; Y369-K371 VanDerWaalsContact C-N 3.32Å; Y369-K371 PolarHBondContact O-N 2.69Å; Y369-M372 PolarHBondContact O-N 2.55Å; Y369-M372 VanDerWaalsContact O-N 3.16Å; Y369-C373 PolarHBondContact O-N 2.86Å; Y369-C373 PolarHBondContact O-SG 3.19Å; Y369-L392 HydrophobicContact CD1-CD2 4.31Å; Y369-L392 HydrophobicContact CE1-CD2 3.78Å; Y369-H395 HydrophobicContact CE1-CB 3.93Å; Y369-H395 PolarHBondContact OH-ND1 2.85Å; Y369-F399 AromaticContact CD1-CE2 3.88Å; Y369-F399 HydrophobicContact CD1-CE2 3.88Å; Y369-F399 HydrophobicContact CD1-CZ 4.08Å; Y369-F399 HydrophobicContact CD2-CE2 4.15Å; Y369-F399 AromaticContact CD2-CZ 3.76Å; Y369-F399 HydrophobicContact CD2-CZ 3.76Å; Y369-F399 HydrophobicContact CE1-CE2 4.19Å; Y369-F399 HydrophobicContact CE2-CE2 4.44Å; Y369-F399 HydrophobicContact CE2-CZ 4.41Å; Y369-F399 HydrophobicContact CG-CE1 4.49Å; Y369-F399 AromaticContact CG-CE2 3.85Å; Y369-F399 HydrophobicContact CG-CE2 3.85Å; Y369-F399 AromaticContact CG-CZ 3.57Å; Y369-F399 HydrophobicContact CG-CZ 3.57Å
370T94.1Very high88.9Confident52 Ų5243.9 Ų43.932%0.31925%0.247SC..Hα-helixtrans-60.6-39.7178.2-60.40000112F366 E367 S368 M372 C373 L392F366-T370 WeakPolarHBondContact CE1-OG1 3.44Å; F366-T370 WeakPolarHBondContact O-CB 3.44Å; F366-T370 PolarHBondContact O-N 3.1Å; F366-T370 PolarHBondContact O-OG1 2.89Å; E367-T370 PolarHBondContact O-N 3.12Å; S368-T370 VanDerWaalsContact C-N 3.33Å; S368-T370 PolarHBondContact O-N 3.24Å; T370-M372 VanDerWaalsContact C-N 3.26Å; T370-M372 PolarHBondContact O-N 3.41Å; T370-C373 PolarHBondContact O-N 2.74Å; T370-L392 HydrophobicContact CG2-CD1 3.77Å
371K94Very high89Confident132 Ų13244 Ų4457%0.57425%0.247SC*.Hα-helixtrans-66.2-27.6178.4-70.9171.3-173.2163.40113.1E367 S368 Y369E367-K371 WeakPolarHBondContact O-CG 3.34Å; E367-K371 PolarHBondContact O-N 3.24Å; E367-K371 WeakPolarHBondContact OE1-CE 3.24Å; E367-K371 IonicContact OE1-NZ 3.41Å; E367-K371 PolarHBondContact OE1-NZ 3.41Å; S368-K371 PolarHBondContact O-N 2.95Å; Y369-K371 VanDerWaalsContact C-N 3.32Å; Y369-K371 PolarHBondContact O-N 2.69Å
372M94.6Very high88.7Confident22 Ų2245 Ų4511%0.10826%0.255CS..Hα-helixtrans-92.5-7.5-178.2-67.4-176-70.800113.7Q356 L357 A360 S368 Y369 T370 Q463 I464Q356-M372 HydrophobicContact CB-SD 4.01Å; L357-M372 HydrophobicContact CB-CE 4.34Å; L357-M372 HydrophobicContact CB-SD 4.37Å; L357-M372 HydrophobicContact CD1-CB 4.35Å; L357-M372 HydrophobicContact CD1-CE 4.14Å; A360-M372 HydrophobicContact CB-CE 3.53Å; S368-M372 WeakPolarHBondContact O-CE 3.35Å; S368-M372 PolarHBondContact O-N 3.47Å; Y369-M372 PolarHBondContact O-N 2.55Å; Y369-M372 VanDerWaalsContact O-N 3.16Å; T370-M372 VanDerWaalsContact C-N 3.26Å; T370-M372 PolarHBondContact O-N 3.41Å; M372-Q463 CarbonylContact O-C 3.53Å; M372-Q463 VanDerWaalsContact O-CA 3.3Å; M372-Q463 WeakPolarHBondContact O-CA 3.48Å; M372-I464 PolarHBondContact O-N 2.82Å
373C95.7Very high88.9Confident2 Ų243.9 Ų43.91%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-111.4146.2-179.9-61.80000110.6Y369 T370 V377 L392Y369-C373 PolarHBondContact O-N 2.86Å; Y369-C373 PolarHBondContact O-SG 3.19Å; T370-C373 PolarHBondContact O-N 2.74Å; C373-V377 HydrophobicContact CB-CB 4.48Å; C373-V377 HydrophobicContact CB-CG1 4.28Å; C373-L392 HydrophobicContact CB-CD2 3.61Å
374D95.4Very high88.9Confident14 Ų1440.7 Ų40.78%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-64.3139.6165.8-168.5-70000109.6A376 V377 R458 I464 V465D374-A376 PolarHBondContact O-N 3.17Å; D374-A376 VanDerWaalsContact O-N 3.15Å; D374-A376 WeakPolarHBondContact OD1-CA 3.25Å; D374-A376 PolarHBondContact OD1-N 3.1Å; D374-V377 HydrophobicContact CB-CB 4.43Å; D374-V377 VanDerWaalsContact O-CB 3.25Å; D374-V377 WeakPolarHBondContact O-CB 3.37Å; D374-V377 WeakPolarHBondContact O-CG1 3.32Å; D374-V377 PolarHBondContact O-N 3.46Å; D374-R458 IonicContact OD2-CZ 3.32Å; D374-R458 IonicContact OD2-NH1 3.46Å; D374-R458 PolarHBondContact OD2-NH1 3.38Å; D374-R458 IonicContact OD2-NH2 2.66Å; D374-R458 PolarHBondContact OD2-NH2 3.35Å; D374-I464 VanDerWaalsContact CB-O 3.28Å; D374-I464 WeakPolarHBondContact CB-O 3.49Å; D374-I464 PolarHBondContact N-O 2.83Å; D374-V465 HydrophobicContact CB-CG1 4.2Å
375P92.3Very high88.9Confident101 Ų10146.8 Ų46.866%0.65625%0.253SS*.EExtended strand (participates in β ladder)trans-55.9-27.9175.1-2735.6000114.4G391P375-G391 WeakPolarHBondContact O-CA 3.46Å
376A93.2Very high88.6Confident47 Ų4746.5 Ų46.539%0.38826%0.264SS..EExtended strand (participates in β ladder)trans-104.128.2175.300000112.1D374 T378D374-A376 PolarHBondContact O-N 3.17Å; D374-A376 VanDerWaalsContact O-N 3.15Å; D374-A376 WeakPolarHBondContact OD1-CA 3.25Å; D374-A376 PolarHBondContact OD1-N 3.1Å; A376-T378 PolarHBondContact O-N 3.14Å
377V94.7Very high88.1Confident2 Ų249.9 Ų49.91%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-54.1135.3176.863.50000110.6C373 D374 E390 G391 L392 I464C373-V377 HydrophobicContact CB-CB 4.48Å; C373-V377 HydrophobicContact CB-CG1 4.28Å; D374-V377 HydrophobicContact CB-CB 4.43Å; D374-V377 VanDerWaalsContact O-CB 3.25Å; D374-V377 WeakPolarHBondContact O-CB 3.37Å; D374-V377 WeakPolarHBondContact O-CG1 3.32Å; D374-V377 PolarHBondContact O-N 3.46Å; V377-E390 CarbonylContact O-C 3.53Å; V377-E390 WeakPolarHBondContact O-CA 3.41Å; V377-G391 PolarHBondContact O-N 2.99Å; V377-L392 HydrophobicContact CG1-CD2 3.62Å; V377-L392 HydrophobicContact CG1-CG 4.29Å; V377-I464 HydrophobicContact CG2-CB 4.45Å; V377-I464 HydrophobicContact CG2-CG2 3.92Å; V377-I464 WeakPolarHBondContact CG2-O 3.38Å
378T92.3Very high87.8Confident38 Ų3849.1 Ų49.123%0.23328%0.283CS..EExtended strand (participates in β ladder)trans-101.5143.1174.854.90000111A376 V389 E390 V465 H466 F467A376-T378 PolarHBondContact O-N 3.14Å; T378-V389 CarbonylContact C-O 3.56Å; T378-V389 VanDerWaalsContact CA-O 3.25Å; T378-V389 WeakPolarHBondContact CA-O 3.38Å; T378-E390 HydrophobicContact CG2-CG 4.45Å; T378-V465 PolarHBondContact N-O 3.35Å; T378-V465 PolarHBondContact OG1-O 3.31Å; T378-H466 CarbonylContact O-C 3.47Å; T378-H466 VanDerWaalsContact O-CA 3.31Å; T378-H466 WeakPolarHBondContact O-CA 3.47Å; T378-H466 PolarHBondContact O-ND1 3.04Å; T378-H466 PolarHBondContact OG1-ND1 3.38Å; T378-F467 PolarHBondContact O-N 2.8Å
379A91.1Very high87.6Confident0 Ų048.4 Ų48.40%028%0.277CS..EExtended strand (participates in β ladder)trans-134.6134.8-17600000111.8V389 F467A379-V389 HydrophobicContact CB-CB 4.43Å; A379-V389 PolarHBondContact N-O 2.74Å; A379-V389 PolarHBondContact O-N 2.9Å; A379-F467 CarbonylContact C-O 3.6Å; A379-F467 WeakPolarHBondContact CA-O 3.19Å; A379-F467 HydrophobicContact CB-CD1 3.66Å; A379-F467 HydrophobicContact CB-CE1 4.15Å
380F88.5Confident87.5Confident77 Ų7754.9 Ų54.934%0.33831%0.308SS..EExtended strand (participates in β ladder)trans-118.8110.7165.6-160.1-79.1000108.1F467 H468 R469F380-F467 PolarHBondContact N-O 2.94Å; F380-H468 AromaticContact CD1-CD2 3.62Å; F380-H468 AromaticContact CD1-NE2 3.35Å; F380-H468 WeakPolarHBondContact CD1-NE2 3.45Å; F380-H468 AromaticContact CE1-NE2 3.99Å; F380-H468 CarbonylContact O-C 3.6Å; F380-H468 VanDerWaalsContact O-CA 3.26Å; F380-H468 WeakPolarHBondContact O-CA 3.25Å; F380-H468 PolarHBondContact O-CD2 3.36Å; F380-R469 PolarHBondContact O-N 3.17Å
381E85.1Confident87.1Confident6 Ų653 Ų533%0.02830%0.298CS..  trans-146158.2-176.462.7-177.1164.900111.7E383 A384 F394 H395 F467 R469E381-E383 PolarHBondContact O-N 2.98Å; E381-E383 VanDerWaalsContact O-N 3.08Å; E381-A384 HydrophobicContact CG-CB 4.35Å; E381-A384 VanDerWaalsContact O-CB 3.32Å; E381-A384 WeakPolarHBondContact O-CB 3.38Å; E381-A384 PolarHBondContact O-N 3.2Å; E381-F394 HydrophobicContact CG-CE1 4.28Å; E381-F394 VanDerWaalsContact OE1-CD1 3.26Å; E381-F394 WeakPolarHBondContact OE1-CD1 3.33Å; E381-F394 WeakPolarHBondContact OE1-CE1 3.38Å; E381-H395 IonicContact OE1-CD2 3.8Å; E381-H395 PolarHBondContact OE1-CD2 3.5Å; E381-H395 IonicContact OE1-NE2 2.6Å; E381-H395 PolarHBondContact OE1-NE2 3.37Å; E381-F467 HydrophobicContact CB-CE1 3.86Å; E381-F467 HydrophobicContact CB-CZ 3.96Å; E381-F467 HydrophobicContact CG-CE1 4.26Å; E381-F467 WeakPolarHBondContact OE2-CE1 3.35Å; E381-R469 HydrophobicContact CB-CB 4.2Å; E381-R469 IonicContact OE2-CZ 3.14Å; E381-R469 IonicContact OE2-NH1 3.75Å; E381-R469 IonicContact OE2-NH2 3.66Å; E381-R469 PolarHBondContact OE2-NH2 3.47Å
382P78.3Confident86.8Confident35 Ų3547.7 Ų47.723%0.22728%0.276CS..G310 helixtrans-52.6-34.9-175.5-29.436.7000114.1A384 L385 P473P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 3.03Å; P382-L385 PolarHBondContact O-N 3.16Å; P382-L385 VanDerWaalsContact O-N 3.11Å; P382-P473 HydrophobicContact CB-CG 4.25Å
383E81.4Confident86.2Confident30 Ų3052.2 Ų52.214%0.1430%0.301CS..G310 helixtrans-72.9-20.5-179.2-59.688.8153.100113.5E381 L385 F394 Y398 R469 S474E381-E383 PolarHBondContact O-N 2.98Å; E381-E383 VanDerWaalsContact O-N 3.08Å; E383-L385 PolarHBondContact O-N 3.05Å; E383-F394 HydrophobicContact CB-CE1 4.19Å; E383-F394 HydrophobicContact CB-CZ 4.04Å; E383-Y398 WeakPolarHBondContact CB-OH 3.34Å; E383-Y398 HydrophobicContact CG-CE1 4.16Å; E383-Y398 WeakPolarHBondContact CG-OH 3.37Å; E383-R469 IonicContact OE1-CZ 2.7Å; E383-R469 IonicContact OE1-NH2 3.36Å; E383-R469 PolarHBondContact OE1-NH2 3.33Å; E383-R469 IonicContact OE2-CZ 3.17Å; E383-R469 IonicContact OE2-NH2 3.36Å; E383-R469 PolarHBondContact OE2-NH2 2.93Å; E383-S474 VanDerWaalsContact OE1-CA 3.3Å; E383-S474 WeakPolarHBondContact OE1-CA 3.39Å; E383-S474 WeakPolarHBondContact OE1-CB 3.47Å; E383-S474 PolarHBondContact OE1-N 3.41Å; E383-S474 PolarHBondContact OE1-OG 3.4Å; E383-S474 VanDerWaalsContact OE1-OG 3.07Å
384A75.3Confident85.5Confident7 Ų755.1 Ų55.16%0.05831%0.313CS..G310 helixtrans-75.4-3.5171.400000112.4E381 P382 G386 N387 V389E381-A384 HydrophobicContact CG-CB 4.35Å; E381-A384 VanDerWaalsContact O-CB 3.32Å; E381-A384 WeakPolarHBondContact O-CB 3.38Å; E381-A384 PolarHBondContact O-N 3.2Å; P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 3.03Å; A384-G386 PolarHBondContact O-N 2.98Å; A384-N387 WeakPolarHBondContact CB-O 3.5Å; A384-N387 VanDerWaalsContact O-CB 3.31Å; A384-N387 WeakPolarHBondContact O-CB 3.47Å; A384-N387 PolarHBondContact O-N 3.2Å; A384-N387 PolarHBondContact O-ND2 3.4Å; A384-V389 HydrophobicContact CB-CG2 3.55Å
385L77.6Confident84.9Confident152 Ų15254.8 Ų54.880%0.79631%0.311SS*.THydrogen-bonded Turntrans52.640.8176.7-57.9177.1000112.9P382 E383P382-L385 PolarHBondContact O-N 3.16Å; P382-L385 VanDerWaalsContact O-N 3.11Å; E383-L385 PolarHBondContact O-N 3.05Å
386G76.6Confident84.5Confident52 Ų5254.4 Ų54.454%0.53630%0.297SS..THydrogen-bonded Turntrans84.84.5-18000000115.2A384A384-G386 PolarHBondContact O-N 2.98Å
387N78Confident83.8Confident103 Ų10357.6 Ų57.655%0.55130%0.302SS*.  trans-91.7152.8174.3-58.8-75.5000111.7A384A384-N387 WeakPolarHBondContact CB-O 3.5Å; A384-N387 VanDerWaalsContact O-CB 3.31Å; A384-N387 WeakPolarHBondContact O-CB 3.47Å; A384-N387 PolarHBondContact O-N 3.2Å; A384-N387 PolarHBondContact O-ND2 3.4Å
388L84Confident82.9Confident112 Ų11258.2 Ų58.259%0.58630%0.304SS*.  trans-83.9127.9165.7-17272.4000108.7
389V85Confident82.2Confident24 Ų2456.8 Ų56.815%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-106.7144.5178.8-179.90000109.3T378 A379 A384 F394T378-V389 CarbonylContact C-O 3.56Å; T378-V389 VanDerWaalsContact CA-O 3.25Å; T378-V389 WeakPolarHBondContact CA-O 3.38Å; A379-V389 HydrophobicContact CB-CB 4.43Å; A379-V389 PolarHBondContact N-O 2.74Å; A379-V389 PolarHBondContact O-N 2.9Å; A384-V389 HydrophobicContact CB-CG2 3.55Å; V389-F394 HydrophobicContact CG1-CB 3.43Å; V389-F394 VanDerWaalsContact CG1-CB 3.43Å; V389-F394 HydrophobicContact CG1-CD1 4.1Å; V389-F394 HydrophobicContact CG1-CD2 4.25Å; V389-F394 HydrophobicContact CG1-CG 3.69Å; V389-F394 HydrophobicContact CG2-CD1 4.36Å; V389-F394 HydrophobicContact CG2-CD2 4.47Å; V389-F394 HydrophobicContact CG2-CE1 4.49Å; V389-F394 HydrophobicContact CG2-CG 4.36Å
390E90.4Very high81.4Confident145 Ų14562 Ų6268%0.67832%0.319SS*.EExtended strand (participates in β ladder)trans-120.6141176.3-171.6179.7176.400110.9V377 T378V377-E390 CarbonylContact O-C 3.53Å; V377-E390 WeakPolarHBondContact O-CA 3.41Å; T378-E390 HydrophobicContact CG2-CG 4.45Å
391G85.1Confident80.2Confident12 Ų1261.4 Ų61.412%0.12432%0.32CS..SBendtrans83.5-173.517600000114.5P375 V377P375-G391 WeakPolarHBondContact O-CA 3.46Å; V377-G391 PolarHBondContact O-N 2.99Å
392L89.4Confident79.3Confident20 Ų2063.8 Ų63.811%0.10533%0.332CS..SBendtrans-98.7-12.5-171.4-63.3173.2000114F366 Y369 T370 C373 V377 F394 H395 R396F366-L392 HydrophobicContact CZ-CB 4.33Å; Y369-L392 HydrophobicContact CD1-CD2 4.31Å; Y369-L392 HydrophobicContact CE1-CD2 3.78Å; T370-L392 HydrophobicContact CG2-CD1 3.77Å; C373-L392 HydrophobicContact CB-CD2 3.61Å; V377-L392 HydrophobicContact CG1-CD2 3.62Å; V377-L392 HydrophobicContact CG1-CG 4.29Å; L392-F394 VanDerWaalsContact C-N 3.33Å; L392-F394 PolarHBondContact O-N 3.45Å; L392-H395 PolarHBondContact O-N 2.91Å; L392-H395 VanDerWaalsContact O-N 3.12Å; L392-R396 PolarHBondContact O-N 3.3Å
393D81.4Confident78.4Confident118 Ų11864.8 Ų64.863%0.63133%0.331SS*.Hα-helixtrans-67-34.1-172.8-71.5-27.6000112.7H395 R396D393-H395 VanDerWaalsContact C-N 3.32Å; D393-H395 PolarHBondContact O-N 2.9Å; D393-R396 WeakPolarHBondContact O-CB 3.37Å; D393-R396 PolarHBondContact O-N 3.18Å; D393-R396 IonicContact OD1-NE 2.79Å; D393-R396 PolarHBondContact OD1-NE 2.93Å; D393-R396 IonicContact OD1-NH2 3.21Å
394F80.4Confident77.1Confident63 Ų6366.9 Ų66.928%0.27635%0.349SS..Hα-helixtrans-61-43.7172.6-170.9-104.6000111.7E381 E383 V389 L392 Y398E381-F394 HydrophobicContact CG-CE1 4.28Å; E381-F394 VanDerWaalsContact OE1-CD1 3.26Å; E381-F394 WeakPolarHBondContact OE1-CD1 3.33Å; E381-F394 WeakPolarHBondContact OE1-CE1 3.38Å; E383-F394 HydrophobicContact CB-CE1 4.19Å; E383-F394 HydrophobicContact CB-CZ 4.04Å; V389-F394 HydrophobicContact CG1-CB 3.43Å; V389-F394 VanDerWaalsContact CG1-CB 3.43Å; V389-F394 HydrophobicContact CG1-CD1 4.1Å; V389-F394 HydrophobicContact CG1-CD2 4.25Å; V389-F394 HydrophobicContact CG1-CG 3.69Å; V389-F394 HydrophobicContact CG2-CD1 4.36Å; V389-F394 HydrophobicContact CG2-CD2 4.47Å; V389-F394 HydrophobicContact CG2-CE1 4.49Å; V389-F394 HydrophobicContact CG2-CG 4.36Å; L392-F394 VanDerWaalsContact C-N 3.33Å; L392-F394 PolarHBondContact O-N 3.45Å; F394-Y398 AromaticContact CD1-CE2 3.9Å; F394-Y398 HydrophobicContact CD1-CE2 3.9Å; F394-Y398 AromaticContact CE1-CE2 3.75Å; F394-Y398 HydrophobicContact CE1-CE2 3.75Å; F394-Y398 AromaticContact CE1-CZ 3.92Å; F394-Y398 WeakPolarHBondContact CE1-OH 3.38Å; F394-Y398 HydrophobicContact CZ-CE2 4.43Å; F394-Y398 WeakPolarHBondContact CZ-OH 3.36Å; F394-Y398 WeakPolarHBondContact O-CE2 3.45Å
395H83.8Confident75.9Confident6 Ų674.1 Ų74.13%0.02838%0.38CS..Hα-helixtrans-71.9-35.7-179.4-55116.9000112.4Y369 E381 L392 D393 F397 Y398 F399Y369-H395 HydrophobicContact CE1-CB 3.93Å; Y369-H395 PolarHBondContact OH-ND1 2.85Å; E381-H395 IonicContact OE1-CD2 3.8Å; E381-H395 PolarHBondContact OE1-CD2 3.5Å; E381-H395 IonicContact OE1-NE2 2.6Å; E381-H395 PolarHBondContact OE1-NE2 3.37Å; L392-H395 PolarHBondContact O-N 2.91Å; L392-H395 VanDerWaalsContact O-N 3.12Å; D393-H395 VanDerWaalsContact C-N 3.32Å; D393-H395 PolarHBondContact O-N 2.9Å; H395-F397 PolarHBondContact O-N 2.84Å; H395-F397 VanDerWaalsContact O-N 3.13Å; H395-Y398 PolarHBondContact O-N 2.81Å; H395-F399 WeakPolarHBondContact O-CD2 3.4Å; H395-F399 PolarHBondContact O-N 2.81Å
396R83.7Confident74.9Confident94 Ų9470.2 Ų70.236%0.35536%0.359SS..Hα-helixtrans-49.7-40178.3-176.3-170.3-63.5-82.7-1.4111.8F366 L392 D393 Y398 F399 E400F366-R396 HydrophobicContact CE1-CB 4.31Å; F366-R396 HydrophobicContact CE1-CG 4.1Å; F366-R396 VanDerWaalsContact CE1-CZ 3.47Å; F366-R396 VanDerWaalsContact CE1-NH1 3.32Å; F366-R396 HydrophobicContact CE2-CB 3.92Å; F366-R396 HydrophobicContact CE2-CG 4.43Å; F366-R396 HydrophobicContact CZ-CB 3.67Å; F366-R396 HydrophobicContact CZ-CG 3.97Å; L392-R396 PolarHBondContact O-N 3.3Å; D393-R396 WeakPolarHBondContact O-CB 3.37Å; D393-R396 PolarHBondContact O-N 3.18Å; D393-R396 IonicContact OD1-NE 2.79Å; D393-R396 PolarHBondContact OD1-NE 2.93Å; D393-R396 IonicContact OD1-NH2 3.21Å; R396-Y398 VanDerWaalsContact C-N 3.32Å; R396-Y398 PolarHBondContact O-N 2.82Å; R396-F399 PolarHBondContact O-N 2.86Å; R396-E400 WeakPolarHBondContact CD-OE1 3.37Å; R396-E400 HydrophobicContact CG-CG 4.23Å; R396-E400 VanDerWaalsContact CG-OE1 3.25Å; R396-E400 WeakPolarHBondContact CG-OE1 3.43Å; R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 3.37Å
397F77.7Confident73.9Confident113 Ų11371.2 Ų71.250%0.49636%0.359SS..Hα-helixtrans-54.6-43.7177.3179.4-97.1000113H395 N401 L402H395-F397 PolarHBondContact O-N 2.84Å; H395-F397 VanDerWaalsContact O-N 3.13Å; F397-N401 WeakPolarHBondContact CD2-ND2 3.33Å; F397-N401 HydrophobicContact CZ-CB 4.46Å; F397-N401 VanDerWaalsContact O-CB 3.31Å; F397-N401 WeakPolarHBondContact O-CB 3.38Å; F397-N401 PolarHBondContact O-N 2.74Å; F397-N401 PolarHBondContact O-ND2 3.35Å; F397-L402 HydrophobicContact CE1-CD1 4.39Å
398Y75.1Confident73.3Confident16 Ų1669.7 Ų69.76%0.06335%0.347CS..Hα-helixtrans-70.2-38.3179.8-55.3-71000112.5E383 F394 H395 R396 L402 W403E383-Y398 WeakPolarHBondContact CB-OH 3.34Å; E383-Y398 HydrophobicContact CG-CE1 4.16Å; E383-Y398 WeakPolarHBondContact CG-OH 3.37Å; F394-Y398 AromaticContact CD1-CE2 3.9Å; F394-Y398 HydrophobicContact CD1-CE2 3.9Å; F394-Y398 AromaticContact CE1-CE2 3.75Å; F394-Y398 HydrophobicContact CE1-CE2 3.75Å; F394-Y398 AromaticContact CE1-CZ 3.92Å; F394-Y398 WeakPolarHBondContact CE1-OH 3.38Å; F394-Y398 HydrophobicContact CZ-CE2 4.43Å; F394-Y398 WeakPolarHBondContact CZ-OH 3.36Å; F394-Y398 WeakPolarHBondContact O-CE2 3.45Å; H395-Y398 PolarHBondContact O-N 2.81Å; R396-Y398 VanDerWaalsContact C-N 3.32Å; R396-Y398 PolarHBondContact O-N 2.82Å; Y398-L402 HydrophobicContact CD1-CD1 4.22Å; Y398-L402 HydrophobicContact CD1-CD2 4.48Å; Y398-L402 WeakPolarHBondContact O-CA 3.44Å; Y398-L402 WeakPolarHBondContact O-CB 3.33Å; Y398-L402 PolarHBondContact O-N 3.04Å; Y398-W403 HydrophobicContact CG-CH2 4.23Å; Y398-W403 HydrophobicContact CG-CZ3 4.33Å; Y398-W403 PolarHBondContact O-N 3.06Å
399F77.7Confident72.3Confident7 Ų766.1 Ų66.13%0.03133%0.331CS..Iπ-helixtrans-64.4-42.9176.5-80.5-94.4000111.5I361 G364 F366 Y369 H395 R396 W403 S404I361-F399 HydrophobicContact CB-CZ 4.44Å; I361-F399 HydrophobicContact CG1-CZ 4.07Å; G364-F399 VanDerWaalsContact C-CD1 3.47Å; F366-F399 HydrophobicContact CB-CB 3.98Å; F366-F399 HydrophobicContact CB-CD1 3.74Å; F366-F399 HydrophobicContact CB-CE1 4.4Å; F366-F399 HydrophobicContact CB-CG 3.9Å; F366-F399 HydrophobicContact CD2-CB 3.91Å; F366-F399 HydrophobicContact CD2-CD1 4.1Å; F366-F399 AromaticContact CD2-CD2 3.54Å; F366-F399 HydrophobicContact CD2-CD2 3.54Å; F366-F399 HydrophobicContact CD2-CE2 4.02Å; F366-F399 AromaticContact CD2-CG 3.59Å; F366-F399 HydrophobicContact CD2-CG 3.59Å; F366-F399 HydrophobicContact CE2-CD2 4.19Å; F366-F399 HydrophobicContact CG-CB 4.21Å; F366-F399 HydrophobicContact CG-CD1 4.43Å; F366-F399 HydrophobicContact CG-CG 4.16Å; Y369-F399 AromaticContact CD1-CE2 3.88Å; Y369-F399 HydrophobicContact CD1-CE2 3.88Å; Y369-F399 HydrophobicContact CD1-CZ 4.08Å; Y369-F399 HydrophobicContact CD2-CE2 4.15Å; Y369-F399 AromaticContact CD2-CZ 3.76Å; Y369-F399 HydrophobicContact CD2-CZ 3.76Å; Y369-F399 HydrophobicContact CE1-CE2 4.19Å; Y369-F399 HydrophobicContact CE2-CE2 4.44Å; Y369-F399 HydrophobicContact CE2-CZ 4.41Å; Y369-F399 HydrophobicContact CG-CE1 4.49Å; Y369-F399 AromaticContact CG-CE2 3.85Å; Y369-F399 HydrophobicContact CG-CE2 3.85Å; Y369-F399 AromaticContact CG-CZ 3.57Å; Y369-F399 HydrophobicContact CG-CZ 3.57Å; H395-F399 WeakPolarHBondContact O-CD2 3.4Å; H395-F399 PolarHBondContact O-N 2.81Å; R396-F399 PolarHBondContact O-N 2.86Å; F399-W403 HydrophobicContact CD1-CE3 4.2Å; F399-W403 AromaticContact CD2-CE3 3.77Å; F399-W403 HydrophobicContact CD2-CE3 3.77Å; F399-W403 AromaticContact CD2-CZ3 3.55Å; F399-W403 HydrophobicContact CD2-CZ3 3.55Å; F399-W403 HydrophobicContact CE1-CE3 4.37Å; F399-W403 AromaticContact CE2-CE3 3.97Å; F399-W403 HydrophobicContact CE2-CE3 3.97Å; F399-W403 AromaticContact CE2-CZ3 3.49Å; F399-W403 HydrophobicContact CE2-CZ3 3.49Å; F399-W403 VanDerWaalsContact CE2-CZ3 3.49Å; F399-W403 AromaticContact CG-CE3 3.9Å; F399-W403 HydrophobicContact CG-CE3 3.9Å; F399-W403 HydrophobicContact CG-CZ3 4.17Å; F399-W403 HydrophobicContact CZ-CE3 4.26Å; F399-W403 HydrophobicContact CZ-CZ3 4.05Å; F399-S404 WeakPolarHBondContact O-CB 3.33Å; F399-S404 PolarHBondContact O-N 2.92Å
400E74.2Confident71.4Confident109 Ų10967.3 Ų67.351%0.50934%0.338SS..Iπ-helixtrans-74.4-35.1-179-71.3177.7-178.700113.1R396 S404R396-E400 WeakPolarHBondContact CD-OE1 3.37Å; R396-E400 HydrophobicContact CG-CG 4.23Å; R396-E400 VanDerWaalsContact CG-OE1 3.25Å; R396-E400 WeakPolarHBondContact CG-OE1 3.43Å; R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 3.37Å; E400-S404 PolarHBondContact O-OG 2.77Å
401N64.9Low70.4Confident66 Ų6660.7 Ų60.735%0.35331%0.307SS..Iπ-helixtrans-113.5-31.6-167.6-63.4-75.5000115.5F397F397-N401 WeakPolarHBondContact CD2-ND2 3.33Å; F397-N401 HydrophobicContact CZ-CB 4.46Å; F397-N401 VanDerWaalsContact O-CB 3.31Å; F397-N401 WeakPolarHBondContact O-CB 3.38Å; F397-N401 PolarHBondContact O-N 2.74Å; F397-N401 PolarHBondContact O-ND2 3.35Å
402L64.8Low69.9Low55 Ų5560.6 Ų60.629%0.28830%0.304SS..Iπ-helixtrans-100-53.1-175.5-99.888.4000112.6F397 Y398 T475F397-L402 HydrophobicContact CE1-CD1 4.39Å; Y398-L402 HydrophobicContact CD1-CD1 4.22Å; Y398-L402 HydrophobicContact CD1-CD2 4.48Å; Y398-L402 WeakPolarHBondContact O-CA 3.44Å; Y398-L402 WeakPolarHBondContact O-CB 3.33Å; Y398-L402 PolarHBondContact O-N 3.04Å; L402-T475 HydrophobicContact CD2-CG2 3.7Å
403W59.4Low69.3Low56 Ų5661.9 Ų61.921%0.21231%0.312CS..Iπ-helixtrans-86.2-28.7-170.8-62.9-46.1000113.3I361 Y398 F399 K405I361-W403 HydrophobicContact CG2-CE3 4.41Å; I361-W403 HydrophobicContact CG2-CH2 3.83Å; I361-W403 HydrophobicContact CG2-CZ2 3.9Å; I361-W403 HydrophobicContact CG2-CZ3 4.09Å; Y398-W403 HydrophobicContact CG-CH2 4.23Å; Y398-W403 HydrophobicContact CG-CZ3 4.33Å; Y398-W403 PolarHBondContact O-N 3.06Å; F399-W403 HydrophobicContact CD1-CE3 4.2Å; F399-W403 AromaticContact CD2-CE3 3.77Å; F399-W403 HydrophobicContact CD2-CE3 3.77Å; F399-W403 AromaticContact CD2-CZ3 3.55Å; F399-W403 HydrophobicContact CD2-CZ3 3.55Å; F399-W403 HydrophobicContact CE1-CE3 4.37Å; F399-W403 AromaticContact CE2-CE3 3.97Å; F399-W403 HydrophobicContact CE2-CE3 3.97Å; F399-W403 AromaticContact CE2-CZ3 3.49Å; F399-W403 HydrophobicContact CE2-CZ3 3.49Å; F399-W403 VanDerWaalsContact CE2-CZ3 3.49Å; F399-W403 AromaticContact CG-CE3 3.9Å; F399-W403 HydrophobicContact CG-CE3 3.9Å; F399-W403 HydrophobicContact CG-CZ3 4.17Å; F399-W403 HydrophobicContact CZ-CE3 4.26Å; F399-W403 HydrophobicContact CZ-CZ3 4.05Å; W403-K405 PolarHBondContact O-N 3.03Å
404S53.9Low69.3Low74 Ų7458.7 Ų58.752%0.51730%0.295SS..THydrogen-bonded Turntrans-63.8-25.8173.764.10000113.7F399 E400F399-S404 WeakPolarHBondContact O-CB 3.33Å; F399-S404 PolarHBondContact O-N 2.92Å; E400-S404 PolarHBondContact O-OG 2.77Å
405K50Low69Low160 Ų16059.2 Ų59.270%0.69630%0.3SS*.THydrogen-bonded Turntrans-103.6-11.7-173.7-69-178.2-177.4171.50114.5W403 S407W403-K405 PolarHBondContact O-N 3.03Å; K405-S407 PolarHBondContact O-N 2.64Å
406N56.6Low69Low69 Ų6964.3 Ų64.337%0.36933%0.327SS..  trans-83.5103.8-178.5-158.5-1.2000110.4K408N406-K408 VanDerWaalsContact C-N 3.29Å; N406-K408 PolarHBondContact OD1-N 2.78Å
407S55.6Low69.2Low74 Ų7462.6 Ų62.652%0.51733%0.329SS..  trans-81.2-9.4178.558.90000113.4K405K405-S407 PolarHBondContact O-N 2.64Å
408K66.3Low69.7Low70 Ų7063 Ų6330%0.30433%0.332SS..SBendtrans-85.6139.1-176-69.9175.3175.2175.20110.9N406 V410 I438 D439 S440N406-K408 VanDerWaalsContact C-N 3.29Å; N406-K408 PolarHBondContact OD1-N 2.78Å; K408-V410 PolarHBondContact O-N 3.07Å; K408-I438 HydrophobicContact CB-CB 4.47Å; K408-I438 HydrophobicContact CD-CB 4.05Å; K408-I438 HydrophobicContact CD-CG2 3.94Å; K408-D439 PolarHBondContact NZ-O 2.79Å; K408-S440 PolarHBondContact NZ-O 2.86Å
409P62.1Low70.5Confident38 Ų3863.5 Ų63.525%0.24734%0.335CS..  trans-64.9132.8179.523.9-30.7000111.3F313F313-P409 HydrophobicContact CD1-CB 4.29Å; F313-P409 HydrophobicContact CD1-CG 4Å; F313-P409 HydrophobicContact CD2-CB 3.59Å; F313-P409 HydrophobicContact CD2-CG 4.15Å; F313-P409 HydrophobicContact CE1-CB 3.94Å; F313-P409 HydrophobicContact CE1-CG 3.37Å; F313-P409 HydrophobicContact CE2-CB 3.18Å; F313-P409 HydrophobicContact CE2-CG 3.56Å; F313-P409 HydrophobicContact CG-CB 4.14Å; F313-P409 HydrophobicContact CG-CG 4.37Å; F313-P409 HydrophobicContact CZ-CB 3.41Å; F313-P409 VanDerWaalsContact CZ-CB 3.41Å; F313-P409 HydrophobicContact CZ-CG 3.15Å
410V66.2Low71.3Confident48 Ų4869 Ų6929%0.29136%0.361SS..EExtended strand (participates in β ladder)trans-118.3130.81751800000107.9K408 T435 Q436 L476K408-V410 PolarHBondContact O-N 3.07Å; V410-T435 HydrophobicContact CG1-CG2 3.31Å; V410-Q436 CarbonylContact C-O 3.51Å; V410-Q436 WeakPolarHBondContact CA-O 3.44Å; V410-L476 HydrophobicContact CG2-CD1 4.23Å
411H69.6Low72.1Confident7 Ų766.1 Ų66.13%0.03235%0.349CS..EExtended strand (participates in β ladder)trans-112.1127.2-177170.9-71.6000109.9T310 R311 F313 S314 T413 T435 Q436T310-H411 WeakPolarHBondContact O-CA 3.22Å; T310-H411 WeakPolarHBondContact O-CB 3.33Å; T310-H411 PolarHBondContact O-CD2 2.94Å; T310-H411 PolarHBondContact O-NE2 2.76Å; R311-H411 WeakPolarHBondContact CA-CD2 3.32Å; R311-H411 WeakPolarHBondContact CA-NE2 3.4Å; R311-H411 PolarHBondContact O-CD2 2.82Å; R311-H411 VanDerWaalsContact O-CD2 3.22Å; R311-H411 PolarHBondContact O-NE2 2.91Å; R311-H411 VanDerWaalsContact O-NE2 3.08Å; F313-H411 HydrophobicContact CB-CB 4.14Å; S314-H411 PolarHBondContact OG-NE2 3.14Å; S314-H411 VanDerWaalsContact OG-NE2 3.09Å; H411-T413 PolarHBondContact CE1-OG1 2.65Å; H411-T435 CarbonylContact O-C 3.56Å; H411-T435 WeakPolarHBondContact O-CA 3.31Å; H411-Q436 HydrophobicContact CB-CB 4.21Å; H411-Q436 PolarHBondContact CE1-OE1 2.92Å; H411-Q436 PolarHBondContact N-O 3.11Å; H411-Q436 PolarHBondContact ND1-OE1 3.42Å; H411-Q436 PolarHBondContact O-N 3.08Å
412T74.8Confident73.4Confident10 Ų1067.4 Ų67.46%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-118.8128.2-175.5-59.60000110.2T310 I358 R433 V434T310-T412 VanDerWaalsContact CB-O 3.3Å; T310-T412 WeakPolarHBondContact CB-O 2.97Å; T310-T412 PolarHBondContact O-N 3.45Å; T310-T412 PolarHBondContact OG1-O 3.05Å; I358-T412 HydrophobicContact CG2-CG2 3.83Å; T412-R433 HydrophobicContact CG2-CG 3.46Å; T412-R433 VanDerWaalsContact CG2-CG 3.46Å; T412-V434 CarbonylContact C-O 3.5Å; T412-V434 WeakPolarHBondContact CA-O 3.37Å
413T76.9Confident74.5Confident46 Ų4667.4 Ų67.428%0.28237%0.372SS..EExtended strand (participates in β ladder)trans-118.5128.6174.8-57.70000109.4H411 L415 R433 V434H411-T413 PolarHBondContact CE1-OG1 2.65Å; T413-L415 HydrophobicContact CG2-CD2 3.61Å; T413-L415 HydrophobicContact CG2-CG 4.08Å; T413-R433 WeakPolarHBondContact O-CA 3.34Å; T413-V434 PolarHBondContact N-O 2.7Å; T413-V434 PolarHBondContact O-N 3.41Å
414I80.9Confident75.9Confident52 Ų5270.2 Ų70.227%0.26739%0.391SS..EExtended strand (participates in β ladder)trans-92.3124.4170-56.2177.3000107.2E355 I358 P417 Y431 I432E355-I414 HydrophobicContact CG-CD1 4.24Å; I358-I414 HydrophobicContact CD1-CD1 3.54Å; I358-I414 HydrophobicContact CD1-CG1 3.88Å; I414-P417 HydrophobicContact CG2-CB 4.27Å; I414-Y431 HydrophobicContact CG1-CD2 4.4Å; I414-Y431 HydrophobicContact CG2-CD2 3.77Å; I414-Y431 HydrophobicContact CG2-CG 3.83Å; I414-I432 WeakPolarHBondContact CA-O 3.26Å
415L75.8Confident77.8Confident73 Ų7372.3 Ų72.338%0.38239%0.393SS..EExtended strand (participates in β ladder)trans-114.3139.8176.5-59.2177.3000109.6T413 I432 V434T413-L415 HydrophobicContact CG2-CD2 3.61Å; T413-L415 HydrophobicContact CG2-CG 4.08Å; L415-I432 HydrophobicContact CB-CB 4.21Å; L415-I432 PolarHBondContact N-O 3.08Å; L415-I432 PolarHBondContact O-N 3.41Å; L415-V434 HydrophobicContact CD1-CG2 3.66Å; L415-V434 HydrophobicContact CG-CG2 4.34Å
416N82.4Confident79.9Confident113 Ų11366 Ų6660%0.60437%0.37SS*.EExtended strand (participates in β ladder)trans46.857.7173.4-55.3-22.1000113.7H418N416-H418 PolarHBondContact O-CD2 2.96Å; N416-H418 PolarHBondContact O-N 3.38Å
417P88.3Confident81.8Confident59 Ų5962.8 Ų62.838%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-65.9126175.329.1-33.4000110.3I414 I429 A430I414-P417 HydrophobicContact CG2-CB 4.27Å; P417-I429 HydrophobicContact CB-CD1 4.16Å; P417-A430 WeakPolarHBondContact CA-O 3.3Å
418H87.3Confident83.8Confident122 Ų12260.8 Ų60.857%0.56534%0.339SS*.EExtended strand (participates in β ladder)trans-112.5123.5173.1-73.8-77.5000109.5N416 I429 A430N416-H418 PolarHBondContact O-CD2 2.96Å; N416-H418 PolarHBondContact O-N 3.38Å; H418-I429 WeakPolarHBondContact O-CA 3.37Å; H418-A430 PolarHBondContact N-O 2.68Å; H418-A430 PolarHBondContact O-N 3.02Å
419I93.7Very high85.2Confident25 Ų2557.6 Ų57.613%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-114.2128.5-177.4-62165.9000110.1K347 I350 I351 L421 C428 I429K347-I419 HydrophobicContact CB-CD1 4.11Å; K347-I419 HydrophobicContact CG-CB 4.27Å; K347-I419 HydrophobicContact CG-CD1 4.47Å; K347-I419 HydrophobicContact CG-CG2 4.09Å; K347-I419 WeakPolarHBondContact O-CD1 3.43Å; I350-I419 HydrophobicContact CB-CD1 4.2Å; I350-I419 HydrophobicContact CB-CG2 4.35Å; I350-I419 HydrophobicContact CG2-CD1 4.16Å; I350-I419 HydrophobicContact CG2-CG1 4.25Å; I350-I419 HydrophobicContact CG2-CG2 4.14Å; I351-I419 HydrophobicContact CD1-CD1 4.07Å; I351-I419 HydrophobicContact CG1-CD1 3.45Å; I351-I419 VanDerWaalsContact CG1-CD1 3.45Å; I419-L421 HydrophobicContact CG2-CD2 3.9Å; I419-L421 HydrophobicContact CG2-CG 4.41Å; I419-C428 CarbonylContact C-O 3.53Å; I419-C428 WeakPolarHBondContact CA-O 3.38Å; I419-I429 HydrophobicContact CD1-CD1 4.13Å; I419-I429 HydrophobicContact CG1-CB 4.07Å; I419-I429 HydrophobicContact CG1-CD1 3.83Å; I419-I429 HydrophobicContact CG1-CG1 3.68Å
420H92.8Very high86.6Confident123 Ų12357.4 Ų57.457%0.56933%0.327SS*.EExtended strand (participates in β ladder)trans-110.3112.8169.4-63.8-85.4000108.9A427 C428H420-A427 CarbonylContact O-C 3.59Å; H420-A427 WeakPolarHBondContact O-CA 3.33Å; H420-C428 HydrophobicContact CB-CB 4.39Å; H420-C428 PolarHBondContact N-O 3.2Å; H420-C428 PolarHBondContact O-N 2.6Å
421L92.3Very high87.7Confident48 Ų4855.5 Ų55.525%0.25132%0.315SS..EExtended strand (participates in β ladder)trans-82.5133.4170.3-58.1-178.4000108.9T343 R346 K347 I350 I419 A427T343-L421 HydrophobicContact CG2-CD1 4.01Å; R346-L421 HydrophobicContact CB-CD1 3.79Å; R346-L421 HydrophobicContact CB-CD2 4.45Å; K347-L421 HydrophobicContact CG-CD1 4.23Å; K347-L421 HydrophobicContact CG-CG 4.36Å; I350-L421 HydrophobicContact CG1-CD2 4.17Å; I419-L421 HydrophobicContact CG2-CD2 3.9Å; I419-L421 HydrophobicContact CG2-CG 4.41Å; L421-A427 HydrophobicContact CD2-CB 3.92Å
422V91.1Very high88.4Confident94 Ų9457.6 Ų57.657%0.5733%0.326SS*.EExtended strand (participates in β ladder)trans-125.590.7-179.2-175.30000108.1A426V422-A426 CarbonylContact C-O 3.55Å; V422-A426 HydrophobicContact CB-CB 4.16Å; V422-A426 PolarHBondContact N-O 2.9Å; V422-A426 WeakPolarHBondContact O-CB 3.18Å; V422-A426 PolarHBondContact O-N 3.2Å
423G89.3Confident89Confident55 Ų5558.1 Ų58.157%0.56733%0.326SS*.THydrogen-bonded Turntrans65.1-155.9-169.600000112.2
424D88.1Confident89.2Confident114 Ų11457 Ų5761%0.6132%0.319SS*.THydrogen-bonded Turntrans-93.4-19.2-173.6-62-30.1000113.6R346R346-D424 IonicContact CZ-OD1 3.53Å; R346-D424 IonicContact NH1-OD1 3.75Å; R346-D424 PolarHBondContact NH1-OD1 3.42Å; R346-D424 IonicContact NH2-OD1 2.69Å
425E93.6Very high89.2Confident119 Ų11955.1 Ų55.156%0.55631%0.311SS*.THydrogen-bonded Turntrans-115.4-1.3-172.3-61.2-169.6152.800113.6H456 R457 W462E425-H456 CarbonylContact O-C 3.43Å; E425-H456 VanDerWaalsContact O-CA 3.31Å; E425-H456 WeakPolarHBondContact O-CA 3.46Å; E425-H456 PolarHBondContact O-CD2 3.1Å; E425-H456 VanDerWaalsContact O-CD2 3.25Å; E425-R457 HydrophobicContact CB-CB 4.22Å; E425-R457 PolarHBondContact O-N 3.48Å; E425-W462 WeakPolarHBondContact O-CZ3 3.35Å
426A95.1Very high89.3Confident27 Ų2754.8 Ų54.822%0.22331%0.307CS..EExtended strand (participates in β ladder)trans-132.1145.2177.700000112.3V422 W455V422-A426 CarbonylContact C-O 3.55Å; V422-A426 HydrophobicContact CB-CB 4.16Å; V422-A426 PolarHBondContact N-O 2.9Å; V422-A426 WeakPolarHBondContact O-CB 3.18Å; V422-A426 PolarHBondContact O-N 3.2Å; A426-W455 WeakPolarHBondContact CA-O 3.3Å
427A96.6Very high88.9Confident2 Ų251.1 Ų51.12%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-149.2149.8173.500000110.7I350 H420 L421 W455 W462I350-A427 HydrophobicContact CD1-CB 3.5Å; I350-A427 HydrophobicContact CG1-CB 3.66Å; I350-A427 HydrophobicContact CG2-CB 4.46Å; H420-A427 CarbonylContact O-C 3.59Å; H420-A427 WeakPolarHBondContact O-CA 3.33Å; L421-A427 HydrophobicContact CD2-CB 3.92Å; A427-W455 HydrophobicContact CB-CB 4.46Å; A427-W455 PolarHBondContact N-O 3.21Å; A427-W455 PolarHBondContact O-N 3.45Å; A427-W462 HydrophobicContact CB-CH2 4.29Å; A427-W462 HydrophobicContact CB-CZ3 4.32Å
428C96.4Very high88.3Confident31 Ų3150.8 Ų50.821%0.20928%0.279CS..EExtended strand (participates in β ladder)trans-120.9135.7172.1-179.30000108.7I419 H420 T452 R453I419-C428 CarbonylContact C-O 3.53Å; I419-C428 WeakPolarHBondContact CA-O 3.38Å; H420-C428 HydrophobicContact CB-CB 4.39Å; H420-C428 PolarHBondContact N-O 3.2Å; H420-C428 PolarHBondContact O-N 2.6Å; C428-T452 VanDerWaalsContact SG-CG2 3.56Å; C428-R453 WeakPolarHBondContact CA-O 3.41Å
429I95.4Very high87.9Confident3 Ų345.1 Ų45.12%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-124.9129.6172.6-173176.6000109.6I350 T354 P417 H418 I419 Y431 T452 R453I350-I429 HydrophobicContact CG2-CB 4.06Å; I350-I429 HydrophobicContact CG2-CD1 4.41Å; I350-I429 HydrophobicContact CG2-CG2 4.26Å; T354-I429 HydrophobicContact CG2-CD1 4.26Å; T354-I429 HydrophobicContact CG2-CG2 4.29Å; P417-I429 HydrophobicContact CB-CD1 4.16Å; H418-I429 WeakPolarHBondContact O-CA 3.37Å; I419-I429 HydrophobicContact CD1-CD1 4.13Å; I419-I429 HydrophobicContact CG1-CB 4.07Å; I419-I429 HydrophobicContact CG1-CD1 3.83Å; I419-I429 HydrophobicContact CG1-CG1 3.68Å; I429-Y431 HydrophobicContact CD1-CD1 4.31Å; I429-Y431 HydrophobicContact CG1-CD1 4.07Å; I429-Y431 HydrophobicContact CG2-CD1 4.5Å; I429-Y431 HydrophobicContact CG2-CE1 4.33Å; I429-T452 CarbonylContact O-C 3.57Å; I429-T452 WeakPolarHBondContact O-CA 3.28Å; I429-R453 HydrophobicContact CG2-CB 3.81Å; I429-R453 HydrophobicContact CG2-CG 4.44Å; I429-R453 PolarHBondContact N-O 3.4Å; I429-R453 PolarHBondContact O-N 3.27Å
430A93.1Very high87.1Confident35 Ų3548 Ų4829%0.28928%0.275SS..EExtended strand (participates in β ladder)trans-117.1136.117300000109.5P417 H418 E451P417-A430 WeakPolarHBondContact CA-O 3.3Å; H418-A430 PolarHBondContact N-O 2.68Å; H418-A430 PolarHBondContact O-N 3.02Å; A430-E451 CarbonylContact C-O 3.54Å; A430-E451 WeakPolarHBondContact CA-O 3.32Å
431Y88.9Confident86.5Confident8 Ų848 Ų483%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-156162.6-177.856.8-87.2000111.8T354 I358 I414 I429 R433 E451 R453T354-Y431 HydrophobicContact CG2-CD1 4.45Å; T354-Y431 HydrophobicContact CG2-CE1 3.62Å; I358-Y431 HydrophobicContact CD1-CE2 3.88Å; I414-Y431 HydrophobicContact CG1-CD2 4.4Å; I414-Y431 HydrophobicContact CG2-CD2 3.77Å; I414-Y431 HydrophobicContact CG2-CG 3.83Å; I429-Y431 HydrophobicContact CD1-CD1 4.31Å; I429-Y431 HydrophobicContact CG1-CD1 4.07Å; I429-Y431 HydrophobicContact CG2-CD1 4.5Å; I429-Y431 HydrophobicContact CG2-CE1 4.33Å; Y431-R433 HydrophobicContact CD2-CB 4.22Å; Y431-R433 HydrophobicContact CE2-CB 4.05Å; Y431-E451 HydrophobicContact CD2-CB 4.3Å; Y431-E451 HydrophobicContact CE1-CB 4.2Å; Y431-E451 HydrophobicContact CE2-CB 3.81Å; Y431-E451 HydrophobicContact CE2-CG 4.36Å; Y431-E451 PolarHBondContact N-O 3.27Å; Y431-E451 PolarHBondContact O-N 2.69Å; Y431-E451 PolarHBondContact OH-OE2 3.4Å; Y431-E451 VanDerWaalsContact OH-OE2 3.08Å; Y431-R453 HydrophobicContact CE1-CG 4.03Å
432I84.4Confident85.8Confident50 Ų5047.8 Ų47.826%0.25629%0.29SS..EExtended strand (participates in β ladder)trans-97123.4169.7-59172.8000107.7I414 L415 V434 Q448 E450I414-I432 WeakPolarHBondContact CA-O 3.26Å; L415-I432 HydrophobicContact CB-CB 4.21Å; L415-I432 PolarHBondContact N-O 3.08Å; L415-I432 PolarHBondContact O-N 3.41Å; I432-V434 HydrophobicContact CG2-CG2 4.25Å; I432-Q448 HydrophobicContact CG2-CG 3.57Å; I432-E450 HydrophobicContact CG1-CG 4.45Å
433R86.1Confident85.3Confident21 Ų2146.2 Ų46.28%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-99.7120.1173.5-168.9177.772.5174.42.9109.2T412 T413 Y431 Q448 S449 E451T412-R433 HydrophobicContact CG2-CG 3.46Å; T412-R433 VanDerWaalsContact CG2-CG 3.46Å; T413-R433 WeakPolarHBondContact O-CA 3.34Å; Y431-R433 HydrophobicContact CD2-CB 4.22Å; Y431-R433 HydrophobicContact CE2-CB 4.05Å; R433-Q448 WeakPolarHBondContact O-CA 3.15Å; R433-S449 PolarHBondContact N-O 3.4Å; R433-S449 PolarHBondContact NE-OG 3.16Å; R433-S449 PolarHBondContact O-N 3.28Å; R433-E451 IonicContact CZ-OE1 2.94Å; R433-E451 IonicContact NE-OE1 2.65Å; R433-E451 PolarHBondContact NE-OE1 3.4Å; R433-E451 IonicContact NH1-OE1 2.78Å; R433-E451 PolarHBondContact NH1-OE1 2.86Å; R433-E451 IonicContact NH1-OE2 3.03Å; R433-E451 IonicContact NH2-OE1 3.34Å; R433-E451 PolarHBondContact NH2-OE1 2.91Å
434V82.1Confident84.9Confident22 Ų2248.3 Ų48.313%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-105.7119.9172.8179.40000108.5T412 T413 L415 I432 Q436 T446 A447T412-V434 CarbonylContact C-O 3.5Å; T412-V434 WeakPolarHBondContact CA-O 3.37Å; T413-V434 PolarHBondContact N-O 2.7Å; T413-V434 PolarHBondContact O-N 3.41Å; L415-V434 HydrophobicContact CD1-CG2 3.66Å; L415-V434 HydrophobicContact CG-CG2 4.34Å; I432-V434 HydrophobicContact CG2-CG2 4.25Å; V434-Q436 HydrophobicContact CG1-CG 4.44Å; V434-T446 HydrophobicContact CG1-CG2 3.44Å; V434-T446 VanDerWaalsContact CG1-CG2 3.44Å; V434-A447 CarbonylContact C-O 3.46Å; V434-A447 WeakPolarHBondContact CA-O 3.14Å
435T80.1Confident84.6Confident14 Ų1448.7 Ų48.79%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-113114.5-178.1-58.40000109.6V410 H411 T446 A447 L476V410-T435 HydrophobicContact CG1-CG2 3.31Å; H411-T435 CarbonylContact O-C 3.56Å; H411-T435 WeakPolarHBondContact O-CA 3.31Å; T435-T446 CarbonylContact O-C 3.55Å; T435-T446 WeakPolarHBondContact O-CA 3.01Å; T435-A447 PolarHBondContact N-O 3.31Å; T435-A447 PolarHBondContact O-N 2.97Å; T435-L476 HydrophobicContact CG2-CD2 4.49Å
436Q78.1Confident84.2Confident66 Ų6647.1 Ų47.131%0.30828%0.275SS..EExtended strand (participates in β ladder)trans-101.7131.6175.2-46.2-176.3-74.700109.2V410 H411 V434 R445 T446V410-Q436 CarbonylContact C-O 3.51Å; V410-Q436 WeakPolarHBondContact CA-O 3.44Å; H411-Q436 HydrophobicContact CB-CB 4.21Å; H411-Q436 PolarHBondContact CE1-OE1 2.92Å; H411-Q436 PolarHBondContact N-O 3.11Å; H411-Q436 PolarHBondContact ND1-OE1 3.42Å; H411-Q436 PolarHBondContact O-N 3.08Å; V434-Q436 HydrophobicContact CG1-CG 4.44Å; Q436-R445 VanDerWaalsContact CA-O 3.26Å; Q436-R445 WeakPolarHBondContact CA-O 3.5Å; Q436-T446 HydrophobicContact CG-CG2 4.11Å
437Y74.1Confident83.7Confident35 Ų3546.6 Ų46.614%0.13727%0.271CS..EExtended strand (participates in β ladder)trans-148.9162.3-173.663.9-80.5000110.7D439 P444 R445 A447 L476Y437-D439 HydrophobicContact CE2-CB 4.18Å; Y437-P444 CarbonylContact O-C 3.53Å; Y437-P444 WeakPolarHBondContact O-CA 3.4Å; Y437-R445 HydrophobicContact CD1-CB 4.07Å; Y437-R445 HydrophobicContact CD2-CB 4.26Å; Y437-R445 HydrophobicContact CE1-CB 3.57Å; Y437-R445 HydrophobicContact CE2-CB 3.8Å; Y437-R445 HydrophobicContact CE2-CG 4.12Å; Y437-R445 HydrophobicContact CG-CB 4.39Å; Y437-R445 VanDerWaalsContact CZ-CB 3.46Å; Y437-R445 PolarHBondContact N-O 2.88Å; Y437-R445 PolarHBondContact O-N 3.41Å; Y437-A447 HydrophobicContact CE1-CB 4.07Å; Y437-L476 HydrophobicContact CD1-CD1 4.11Å; Y437-L476 HydrophobicContact CD1-CD2 3.66Å; Y437-L476 HydrophobicContact CD1-CG 4.34Å; Y437-L476 HydrophobicContact CD2-CB 3.88Å; Y437-L476 HydrophobicContact CD2-CD1 3.98Å; Y437-L476 HydrophobicContact CD2-CD2 4.4Å; Y437-L476 HydrophobicContact CD2-CG 4.3Å; Y437-L476 HydrophobicContact CE1-CB 4.45Å; Y437-L476 HydrophobicContact CE1-CD2 3.52Å; Y437-L476 HydrophobicContact CE1-CG 4.39Å; Y437-L476 HydrophobicContact CE2-CB 3.64Å; Y437-L476 HydrophobicContact CE2-CD2 4.27Å; Y437-L476 HydrophobicContact CE2-CG 4.33Å; Y437-L476 HydrophobicContact CG-CB 4.38Å; Y437-L476 HydrophobicContact CG-CD1 3.74Å; Y437-L476 HydrophobicContact CG-CD2 4.11Å; Y437-L476 HydrophobicContact CG-CG 4.28Å
438I75.4Confident83.2Confident52 Ų5251 Ų5127%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-95.8120.2171.2-58.5-60.3000108.1K408 G442 P444K408-I438 HydrophobicContact CB-CB 4.47Å; K408-I438 HydrophobicContact CD-CB 4.05Å; K408-I438 HydrophobicContact CD-CG2 3.94Å; I438-G442 VanDerWaalsContact CG2-C 3.47Å; I438-G442 VanDerWaalsContact CG2-CA 3.43Å; I438-P444 HydrophobicContact CD1-CB 3.94Å
439D78.8Confident82.9Confident4 Ų449.7 Ų49.72%0.02128%0.282CS..  trans-70.6177.9178.971.317.7000112.9K408 Y437 N441 G442 T443 R445 N478K408-D439 PolarHBondContact NZ-O 2.79Å; Y437-D439 HydrophobicContact CE2-CB 4.18Å; D439-N441 PolarHBondContact O-N 2.96Å; D439-N441 WeakPolarHBondContact OD1-CA 3.48Å; D439-N441 WeakPolarHBondContact OD1-CB 3.41Å; D439-N441 PolarHBondContact OD1-N 2.88Å; D439-G442 PolarHBondContact O-N 2.94Å; D439-G442 PolarHBondContact OD1-N 2.92Å; D439-G442 VanDerWaalsContact OD1-N 3.16Å; D439-T443 PolarHBondContact N-O 3.36Å; D439-T443 WeakPolarHBondContact OD1-CB 3.39Å; D439-T443 PolarHBondContact OD1-N 2.72Å; D439-T443 WeakPolarHBondContact OD2-CB 3.31Å; D439-R445 HydrophobicContact CB-CG 3.89Å; D439-R445 IonicContact OD2-CZ 3.56Å; D439-R445 IonicContact OD2-NE 3.19Å; D439-R445 PolarHBondContact OD2-NE 2.82Å; D439-R445 IonicContact OD2-NH2 2.71Å; D439-R445 PolarHBondContact OD2-NH2 2.81Å; D439-N478 VanDerWaalsContact CB-O 3.26Å; D439-N478 WeakPolarHBondContact CB-O 3.36Å
440S76.6Confident82.7Confident84 Ų8453.2 Ų53.259%0.58730%0.299SS*.THydrogen-bonded Turntrans-56.9-35.4-177.968.20000111.9K408 G442 N478K408-S440 PolarHBondContact NZ-O 2.86Å; S440-G442 PolarHBondContact O-N 3.25Å; S440-N478 WeakPolarHBondContact CB-OXT 3.25Å; S440-N478 PolarHBondContact OG-OXT 3.46Å
441N80.1Confident82.8Confident124 Ų12451.6 Ų51.666%0.66329%0.285SS*.THydrogen-bonded Turntrans-78.7-0.2179.4-58.7-54.8000114.1D439 T443D439-N441 PolarHBondContact O-N 2.96Å; D439-N441 WeakPolarHBondContact OD1-CA 3.48Å; D439-N441 WeakPolarHBondContact OD1-CB 3.41Å; D439-N441 PolarHBondContact OD1-N 2.88Å; N441-T443 VanDerWaalsContact C-N 3.32Å
442G77.8Confident83.1Confident44 Ų4453.4 Ų53.445%0.45430%0.297SS..SBendtrans82.29.8-178.400000113.8I438 D439 S440I438-G442 VanDerWaalsContact CG2-C 3.47Å; I438-G442 VanDerWaalsContact CG2-CA 3.43Å; D439-G442 PolarHBondContact O-N 2.94Å; D439-G442 PolarHBondContact OD1-N 2.92Å; D439-G442 VanDerWaalsContact OD1-N 3.16Å; S440-G442 PolarHBondContact O-N 3.25Å
443T80.3Confident83.7Confident60 Ų6051.1 Ų51.137%0.36829%0.285SS..  trans-91.5134.8-178.2-54.10000110.4D439 N441 R445D439-T443 PolarHBondContact N-O 3.36Å; D439-T443 WeakPolarHBondContact OD1-CB 3.39Å; D439-T443 PolarHBondContact OD1-N 2.72Å; D439-T443 WeakPolarHBondContact OD2-CB 3.31Å; N441-T443 VanDerWaalsContact C-N 3.32Å; T443-R445 PolarHBondContact O-N 2.88Å
444P81.3Confident84.3Confident99 Ų9952.2 Ų52.264%0.64329%0.294SS*.EExtended strand (participates in β ladder)trans-68.1129.7173.627.5-33.3000111.2Y437 I438Y437-P444 CarbonylContact O-C 3.53Å; Y437-P444 WeakPolarHBondContact O-CA 3.4Å; I438-P444 HydrophobicContact CD1-CB 3.94Å
445R83.3Confident85Confident122 Ų12251.1 Ų51.146%0.4629%0.288SS..EExtended strand (participates in β ladder)trans-122.4160.6176.4-62.8-60.9-177.4170.71.3110.3Q436 Y437 D439 T443Q436-R445 VanDerWaalsContact CA-O 3.26Å; Q436-R445 WeakPolarHBondContact CA-O 3.5Å; Y437-R445 HydrophobicContact CD1-CB 4.07Å; Y437-R445 HydrophobicContact CD2-CB 4.26Å; Y437-R445 HydrophobicContact CE1-CB 3.57Å; Y437-R445 HydrophobicContact CE2-CB 3.8Å; Y437-R445 HydrophobicContact CE2-CG 4.12Å; Y437-R445 HydrophobicContact CG-CB 4.39Å; Y437-R445 VanDerWaalsContact CZ-CB 3.46Å; Y437-R445 PolarHBondContact N-O 2.88Å; Y437-R445 PolarHBondContact O-N 3.41Å; D439-R445 HydrophobicContact CB-CG 3.89Å; D439-R445 IonicContact OD2-CZ 3.56Å; D439-R445 IonicContact OD2-NE 3.19Å; D439-R445 PolarHBondContact OD2-NE 2.82Å; D439-R445 IonicContact OD2-NH2 2.71Å; D439-R445 PolarHBondContact OD2-NH2 2.81Å; T443-R445 PolarHBondContact O-N 2.88Å
446T83.8Confident85.8Confident87 Ų8753 Ų5353%0.53430%0.295SS..EExtended strand (participates in β ladder)trans-135.1126.5173.2-62.30000107.9V434 T435 Q436V434-T446 HydrophobicContact CG1-CG2 3.44Å; V434-T446 VanDerWaalsContact CG1-CG2 3.44Å; T435-T446 CarbonylContact O-C 3.55Å; T435-T446 WeakPolarHBondContact O-CA 3.01Å; Q436-T446 HydrophobicContact CG-CG2 4.11Å
447A84.4Confident86.6Confident16 Ų1654.9 Ų54.913%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-113.7148.8174.100000109.1V434 T435 Y437V434-A447 CarbonylContact C-O 3.46Å; V434-A447 WeakPolarHBondContact CA-O 3.14Å; T435-A447 PolarHBondContact N-O 3.31Å; T435-A447 PolarHBondContact O-N 2.97Å; Y437-A447 HydrophobicContact CE1-CB 4.07Å
448Q87.3Confident87.4Confident94 Ų9458.6 Ų58.644%0.43931%0.313SS..EExtended strand (participates in β ladder)trans-122140.6174.9-178.4-179.5-51.900109I432 R433 E450 S472I432-Q448 HydrophobicContact CG2-CG 3.57Å; R433-Q448 WeakPolarHBondContact O-CA 3.15Å; Q448-E450 PolarHBondContact NE2-OE1 3.5Å; Q448-S472 WeakPolarHBondContact O-CB 3.34Å; Q448-S472 PolarHBondContact O-N 3.39Å; Q448-S472 PolarHBondContact O-OG 3.13Å
449S88.7Confident88Confident3 Ų364.2 Ų64.22%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-140.7135.1169.861.10000110.5R433 S470R433-S449 PolarHBondContact N-O 3.4Å; R433-S449 PolarHBondContact NE-OG 3.16Å; R433-S449 PolarHBondContact O-N 3.28Å; S449-S470 VanDerWaalsContact CA-O 3.25Å; S449-S470 WeakPolarHBondContact CA-O 3.1Å; S449-S470 WeakPolarHBondContact CB-O 3.33Å
450E92.7Very high88.4Confident77 Ų7766.2 Ų66.236%0.3637%0.366SS..EExtended strand (participates in β ladder)trans-86126.8170.1-58.172.8-149.700108.6I432 Q448 R469 S470I432-E450 HydrophobicContact CG1-CG 4.45Å; Q448-E450 PolarHBondContact NE2-OE1 3.5Å; E450-R469 CarbonylContact O-C 3.48Å; E450-R469 WeakPolarHBondContact O-CA 3.26Å; E450-S470 PolarHBondContact N-O 3.23Å; E450-S470 VanDerWaalsContact N-O 3.13Å; E450-S470 PolarHBondContact O-N 3.12Å
451E94.4Very high89.1Confident2 Ų269.5 Ų69.51%0.00937%0.369CS..EExtended strand (participates in β ladder)trans-125.1140.1-176.8-63.6-161.4-179.800111.9A430 Y431 R433 R453 H468 R469A430-E451 CarbonylContact C-O 3.54Å; A430-E451 WeakPolarHBondContact CA-O 3.32Å; Y431-E451 HydrophobicContact CD2-CB 4.3Å; Y431-E451 HydrophobicContact CE1-CB 4.2Å; Y431-E451 HydrophobicContact CE2-CB 3.81Å; Y431-E451 HydrophobicContact CE2-CG 4.36Å; Y431-E451 PolarHBondContact N-O 3.27Å; Y431-E451 PolarHBondContact O-N 2.69Å; Y431-E451 PolarHBondContact OH-OE2 3.4Å; Y431-E451 VanDerWaalsContact OH-OE2 3.08Å; R433-E451 IonicContact CZ-OE1 2.94Å; R433-E451 IonicContact NE-OE1 2.65Å; R433-E451 PolarHBondContact NE-OE1 3.4Å; R433-E451 IonicContact NH1-OE1 2.78Å; R433-E451 PolarHBondContact NH1-OE1 2.86Å; R433-E451 IonicContact NH1-OE2 3.03Å; R433-E451 IonicContact NH2-OE1 3.34Å; R433-E451 PolarHBondContact NH2-OE1 2.91Å; E451-R453 IonicContact OE1-NH2 3.99Å; E451-R453 IonicContact OE2-CZ 2.75Å; E451-R453 IonicContact OE2-NE 3.72Å; E451-R453 PolarHBondContact OE2-NE 3.29Å; E451-R453 IonicContact OE2-NH2 3.06Å; E451-R453 PolarHBondContact OE2-NH2 3.13Å; E451-H468 CarbonylContact C-O 3.56Å; E451-H468 WeakPolarHBondContact CA-O 3.38Å; E451-R469 HydrophobicContact CG-CB 4.26Å; E451-R469 HydrophobicContact CG-CG 4.06Å; E451-R469 WeakPolarHBondContact OE1-CD 3.25Å; E451-R469 IonicContact OE1-NH1 3.95Å
452T95.9Very high89.8Confident45 Ų4565.6 Ų65.628%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-122.2132.7169-58.70000109C428 I429 F467 H468C428-T452 VanDerWaalsContact SG-CG2 3.56Å; I429-T452 CarbonylContact O-C 3.57Å; I429-T452 WeakPolarHBondContact O-CA 3.28Å; T452-F467 WeakPolarHBondContact O-CA 3.45Å; T452-H468 PolarHBondContact N-O 3Å; T452-H468 PolarHBondContact O-N 2.99Å
453R97.3Very high90.7Very high3 Ų365.5 Ų65.51%0.01133%0.333CS..EExtended strand (participates in β ladder)trans-124.7129.1175.9-54.9-67.3-179.8166.9-5.3109.1C428 I429 Y431 E451C428-R453 WeakPolarHBondContact CA-O 3.41Å; I429-R453 HydrophobicContact CG2-CB 3.81Å; I429-R453 HydrophobicContact CG2-CG 4.44Å; I429-R453 PolarHBondContact N-O 3.4Å; I429-R453 PolarHBondContact O-N 3.27Å; Y431-R453 HydrophobicContact CE1-CG 4.03Å; E451-R453 IonicContact OE1-NH2 3.99Å; E451-R453 IonicContact OE2-CZ 2.75Å; E451-R453 IonicContact OE2-NE 3.72Å; E451-R453 PolarHBondContact OE2-NE 3.29Å; E451-R453 IonicContact OE2-NH2 3.06Å; E451-R453 PolarHBondContact OE2-NH2 3.13Å
454V97.6Very high91.5Very high43 Ų4362.7 Ų62.726%0.26132%0.316SS..EExtended strand (participates in β ladder)trans-105115.1174.9-172.90000108.3I464 V465 H466V454-I464 WeakPolarHBondContact O-CA 3.28Å; V454-V465 HydrophobicContact CB-CG2 4.05Å; V454-V465 HydrophobicContact CG1-CG2 3.72Å; V454-V465 WeakPolarHBondContact O-CG2 3.45Å; V454-V465 PolarHBondContact O-N 2.96Å; V454-H466 HydrophobicContact CB-CB 4.01Å; V454-H466 HydrophobicContact CG2-CB 3.99Å; V454-H466 PolarHBondContact N-O 3.28Å
455W97.7Very high92.3Very high0 Ų059.7 Ų59.70%030%0.295CS..EExtended strand (participates in β ladder)trans-99.8136.8-179.5-66.297.4000110.3I350 V353 T354 L357 A426 A427 W462 Q463 I464I350-W455 HydrophobicContact CD1-CB 4.33Å; I350-W455 HydrophobicContact CD1-CG 4.48Å; V353-W455 HydrophobicContact CB-CH2 4.08Å; V353-W455 HydrophobicContact CB-CZ2 4.42Å; V353-W455 HydrophobicContact CB-CZ3 4.21Å; V353-W455 HydrophobicContact CG1-CD2 3.81Å; V353-W455 HydrophobicContact CG1-CE3 3.87Å; V353-W455 HydrophobicContact CG1-CH2 3.75Å; V353-W455 HydrophobicContact CG1-CZ2 3.72Å; V353-W455 HydrophobicContact CG1-CZ3 3.82Å; V353-W455 HydrophobicContact CG2-CE3 4.17Å; V353-W455 HydrophobicContact CG2-CH2 3.49Å; V353-W455 VanDerWaalsContact CG2-CH2 3.49Å; V353-W455 HydrophobicContact CG2-CZ2 4.29Å; V353-W455 HydrophobicContact CG2-CZ3 3.4Å; V353-W455 VanDerWaalsContact CG2-CZ3 3.4Å; T354-W455 PolarHBondContact OG1-NE1 3.26Å; L357-W455 HydrophobicContact CB-CH2 4.29Å; L357-W455 HydrophobicContact CB-CZ2 4.48Å; L357-W455 HydrophobicContact CD2-CZ2 4.44Å; A426-W455 WeakPolarHBondContact CA-O 3.3Å; A427-W455 HydrophobicContact CB-CB 4.46Å; A427-W455 PolarHBondContact N-O 3.21Å; A427-W455 PolarHBondContact O-N 3.45Å; W455-W462 HydrophobicContact CB-CE3 3.69Å; W455-W462 HydrophobicContact CB-CZ3 4.07Å; W455-W462 HydrophobicContact CE3-CB 3.8Å; W455-W462 HydrophobicContact CZ3-CB 4.23Å; W455-Q463 CarbonylContact C-O 3.55Å; W455-Q463 WeakPolarHBondContact CA-O 3.42Å; W455-I464 HydrophobicContact CD2-CG1 4.02Å; W455-I464 HydrophobicContact CE3-CG1 3.72Å; W455-I464 HydrophobicContact CH2-CD1 3.69Å; W455-I464 HydrophobicContact CH2-CG1 3.49Å; W455-I464 VanDerWaalsContact CH2-CG1 3.49Å; W455-I464 HydrophobicContact CZ2-CD1 3.87Å; W455-I464 HydrophobicContact CZ2-CG1 3.76Å; W455-I464 HydrophobicContact CZ3-CD1 4.17Å; W455-I464 HydrophobicContact CZ3-CG1 3.47Å; W455-I464 VanDerWaalsContact CZ3-CG1 3.47Å
456H96.7Very high92.9Very high53 Ų5356.3 Ų56.325%0.24529%0.285CS..EExtended strand (participates in β ladder)trans-131134.7172-173.5-115.2000109.5E425 R458 Q463 V465E425-H456 CarbonylContact O-C 3.43Å; E425-H456 VanDerWaalsContact O-CA 3.31Å; E425-H456 WeakPolarHBondContact O-CA 3.46Å; E425-H456 PolarHBondContact O-CD2 3.1Å; E425-H456 VanDerWaalsContact O-CD2 3.25Å; H456-R458 VanDerWaalsContact ND1-CG 3.33Å; H456-R458 WeakPolarHBondContact ND1-CG 3.45Å; H456-R458 PolarHBondContact ND1-NE 2.79Å; H456-R458 VanDerWaalsContact ND1-NE 3.17Å; H456-Q463 PolarHBondContact N-O 2.92Å; H456-Q463 PolarHBondContact O-N 2.98Å; H456-V465 HydrophobicContact CB-CG1 3.61Å; H456-V465 HydrophobicContact CB-CG2 4.21Å
457R94.4Very high93.3Very high105 Ų10552.3 Ų52.340%0.39626%0.26SS..EExtended strand (participates in β ladder)trans-92.6117.5-178.9-162.8176.2-176.2-174.9-3.7108.8E425 G460 K461 W462E425-R457 HydrophobicContact CB-CB 4.22Å; E425-R457 PolarHBondContact O-N 3.48Å; R457-G460 PolarHBondContact NE-O 3.22Å; R457-G460 VanDerWaalsContact NE-O 3.08Å; R457-G460 PolarHBondContact NH2-O 2.94Å; R457-K461 CarbonylContact C-O 3.49Å; R457-K461 VanDerWaalsContact CA-O 3.28Å; R457-K461 WeakPolarHBondContact CA-O 3.31Å; R457-W462 HydrophobicContact CB-CD2 4.03Å; R457-W462 HydrophobicContact CB-CE3 3.78Å; R457-W462 HydrophobicContact CB-CH2 4.11Å; R457-W462 HydrophobicContact CB-CZ2 4.33Å; R457-W462 HydrophobicContact CB-CZ3 3.84Å; R457-W462 HydrophobicContact CG-CD2 4.28Å
458R91.1Very high93.7Very high113 Ų11354.7 Ų54.743%0.42627%0.268SS..EExtended strand (participates in β ladder)trans-124.7132173.7-65.2-174.2-179.2161.712.9109.1D374 H456 G460 K461D374-R458 IonicContact OD2-CZ 3.32Å; D374-R458 IonicContact OD2-NH1 3.46Å; D374-R458 PolarHBondContact OD2-NH1 3.38Å; D374-R458 IonicContact OD2-NH2 2.66Å; D374-R458 PolarHBondContact OD2-NH2 3.35Å; H456-R458 VanDerWaalsContact ND1-CG 3.33Å; H456-R458 WeakPolarHBondContact ND1-CG 3.45Å; H456-R458 PolarHBondContact ND1-NE 2.79Å; H456-R458 VanDerWaalsContact ND1-NE 3.17Å; R458-G460 PolarHBondContact O-N 3.42Å; R458-G460 VanDerWaalsContact O-N 3.13Å; R458-K461 PolarHBondContact N-O 2.87Å; R458-K461 PolarHBondContact O-N 3.21Å
459D88.9Confident94Very high170 Ų17050.6 Ų50.691%0.90925%0.249SC*.THydrogen-bonded Turntrans50.240.7-178-55.1-43.7000113K461D459-K461 VanDerWaalsContact C-N 3.26Å; D459-K461 PolarHBondContact O-N 3.33Å
460G86.6Confident93.9Very high47 Ų4752.9 Ų52.949%0.48527%0.265SS..THydrogen-bonded Turntrans77.5-2.2-179.900000115.7R457 R458R457-G460 PolarHBondContact NE-O 3.22Å; R457-G460 VanDerWaalsContact NE-O 3.08Å; R457-G460 PolarHBondContact NH2-O 2.94Å; R458-G460 PolarHBondContact O-N 3.42Å; R458-G460 VanDerWaalsContact O-N 3.13Å
461K90.9Very high93.5Very high153 Ų15351.6 Ų51.667%0.66527%0.272SS*.EExtended strand (participates in β ladder)trans-110.5136.6-178.5-64.4178.5-177.8173.40112R457 R458 D459R457-K461 CarbonylContact C-O 3.49Å; R457-K461 VanDerWaalsContact CA-O 3.28Å; R457-K461 WeakPolarHBondContact CA-O 3.31Å; R458-K461 PolarHBondContact N-O 2.87Å; R458-K461 PolarHBondContact O-N 3.21Å; D459-K461 VanDerWaalsContact C-N 3.26Å; D459-K461 PolarHBondContact O-N 3.33Å
462W94.8Very high92.4Very high42 Ų4253.5 Ų53.516%0.15929%0.286CS..EExtended strand (participates in β ladder)trans-77129173.5-71.2110.8000110.8I350 V353 E425 A427 W455 R457I350-W462 HydrophobicContact CD1-CD2 3.88Å; I350-W462 HydrophobicContact CD1-CE3 4.07Å; I350-W462 HydrophobicContact CD1-CH2 3.91Å; I350-W462 HydrophobicContact CD1-CZ2 3.71Å; I350-W462 HydrophobicContact CD1-CZ3 4.07Å; V353-W462 HydrophobicContact CG1-CB 4.29Å; V353-W462 HydrophobicContact CG2-CB 4.1Å; E425-W462 WeakPolarHBondContact O-CZ3 3.35Å; A427-W462 HydrophobicContact CB-CH2 4.29Å; A427-W462 HydrophobicContact CB-CZ3 4.32Å; W455-W462 HydrophobicContact CB-CE3 3.69Å; W455-W462 HydrophobicContact CB-CZ3 4.07Å; W455-W462 HydrophobicContact CE3-CB 3.8Å; W455-W462 HydrophobicContact CZ3-CB 4.23Å; R457-W462 HydrophobicContact CB-CD2 4.03Å; R457-W462 HydrophobicContact CB-CE3 3.78Å; R457-W462 HydrophobicContact CB-CH2 4.11Å; R457-W462 HydrophobicContact CB-CZ2 4.33Å; R457-W462 HydrophobicContact CB-CZ3 3.84Å; R457-W462 HydrophobicContact CG-CD2 4.28Å
463Q96.9Very high90.8Very high42 Ų4254.1 Ų54.120%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-128.8143.3175.9-65.9-176.5-4800110.3M372 W455 H456M372-Q463 CarbonylContact O-C 3.53Å; M372-Q463 VanDerWaalsContact O-CA 3.3Å; M372-Q463 WeakPolarHBondContact O-CA 3.48Å; W455-Q463 CarbonylContact C-O 3.55Å; W455-Q463 WeakPolarHBondContact CA-O 3.42Å; H456-Q463 PolarHBondContact N-O 2.92Å; H456-Q463 PolarHBondContact O-N 2.98Å
464I97.4Very high88.9Confident1 Ų154.3 Ų54.31%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-79123.2173.8-58.1173.4000108.7L357 M372 D374 V377 V454 W455 H466 F467L357-I464 HydrophobicContact CD1-CD1 3.44Å; L357-I464 VanDerWaalsContact CD1-CD1 3.44Å; L357-I464 HydrophobicContact CD2-CD1 3.21Å; L357-I464 HydrophobicContact CG-CD1 3.84Å; M372-I464 PolarHBondContact O-N 2.82Å; D374-I464 VanDerWaalsContact CB-O 3.28Å; D374-I464 WeakPolarHBondContact CB-O 3.49Å; D374-I464 PolarHBondContact N-O 2.83Å; V377-I464 HydrophobicContact CG2-CB 4.45Å; V377-I464 HydrophobicContact CG2-CG2 3.92Å; V377-I464 WeakPolarHBondContact CG2-O 3.38Å; V454-I464 WeakPolarHBondContact O-CA 3.28Å; W455-I464 HydrophobicContact CD2-CG1 4.02Å; W455-I464 HydrophobicContact CE3-CG1 3.72Å; W455-I464 HydrophobicContact CH2-CD1 3.69Å; W455-I464 HydrophobicContact CH2-CG1 3.49Å; W455-I464 VanDerWaalsContact CH2-CG1 3.49Å; W455-I464 HydrophobicContact CZ2-CD1 3.87Å; W455-I464 HydrophobicContact CZ2-CG1 3.76Å; W455-I464 HydrophobicContact CZ3-CD1 4.17Å; W455-I464 HydrophobicContact CZ3-CG1 3.47Å; W455-I464 VanDerWaalsContact CZ3-CG1 3.47Å; I464-H466 WeakPolarHBondContact CG2-O 3.31Å; I464-F467 HydrophobicContact CG2-CB 4.34Å
465V96.8Very high86.9Confident35 Ų3554.7 Ų54.721%0.21230%0.295CS..EExtended strand (participates in β ladder)trans-102.5-27.6176.1-65.30000112.1D374 T378 V454 H456D374-V465 HydrophobicContact CB-CG1 4.2Å; T378-V465 PolarHBondContact N-O 3.35Å; T378-V465 PolarHBondContact OG1-O 3.31Å; V454-V465 HydrophobicContact CB-CG2 4.05Å; V454-V465 HydrophobicContact CG1-CG2 3.72Å; V454-V465 WeakPolarHBondContact O-CG2 3.45Å; V454-V465 PolarHBondContact O-N 2.96Å; H456-V465 HydrophobicContact CB-CG1 3.61Å; H456-V465 HydrophobicContact CB-CG2 4.21Å
466H96.1Very high84.8Confident52 Ų5257 Ų5724%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-146.2146.9175.2-177.969000111.4T378 V454 I464T378-H466 CarbonylContact O-C 3.47Å; T378-H466 VanDerWaalsContact O-CA 3.31Å; T378-H466 WeakPolarHBondContact O-CA 3.47Å; T378-H466 PolarHBondContact O-ND1 3.04Å; T378-H466 PolarHBondContact OG1-ND1 3.38Å; V454-H466 HydrophobicContact CB-CB 4.01Å; V454-H466 HydrophobicContact CG2-CB 3.99Å; V454-H466 PolarHBondContact N-O 3.28Å; I464-H466 WeakPolarHBondContact CG2-O 3.31Å
467F92.9Very high82Confident3 Ų358.6 Ų58.61%0.01332%0.324CS..EExtended strand (participates in β ladder)trans-140.4141.7174.4143.1-111.1000110.7T378 A379 F380 E381 T452 I464 R469T378-F467 PolarHBondContact O-N 2.8Å; A379-F467 CarbonylContact C-O 3.6Å; A379-F467 WeakPolarHBondContact CA-O 3.19Å; A379-F467 HydrophobicContact CB-CD1 3.66Å; A379-F467 HydrophobicContact CB-CE1 4.15Å; F380-F467 PolarHBondContact N-O 2.94Å; E381-F467 HydrophobicContact CB-CE1 3.86Å; E381-F467 HydrophobicContact CB-CZ 3.96Å; E381-F467 HydrophobicContact CG-CE1 4.26Å; E381-F467 WeakPolarHBondContact OE2-CE1 3.35Å; T452-F467 WeakPolarHBondContact O-CA 3.45Å; I464-F467 HydrophobicContact CG2-CB 4.34Å; F467-R469 HydrophobicContact CE2-CB 3.46Å; F467-R469 VanDerWaalsContact CE2-CB 3.46Å; F467-R469 HydrophobicContact CZ-CB 3.41Å; F467-R469 VanDerWaalsContact CZ-CB 3.41Å
468H93.4Very high79.3Confident65 Ų6560.4 Ų60.430%0.30134%0.342SS..EExtended strand (participates in β ladder)trans-130.4128.4171.9-169172000109.6F380 E451 T452F380-H468 AromaticContact CD1-CD2 3.62Å; F380-H468 AromaticContact CD1-NE2 3.35Å; F380-H468 WeakPolarHBondContact CD1-NE2 3.45Å; F380-H468 AromaticContact CE1-NE2 3.99Å; F380-H468 CarbonylContact O-C 3.6Å; F380-H468 VanDerWaalsContact O-CA 3.26Å; F380-H468 WeakPolarHBondContact O-CA 3.25Å; F380-H468 PolarHBondContact O-CD2 3.36Å; E451-H468 CarbonylContact C-O 3.56Å; E451-H468 WeakPolarHBondContact CA-O 3.38Å; T452-H468 PolarHBondContact N-O 3Å; T452-H468 PolarHBondContact O-N 2.99Å
469R91.8Very high78.7Confident9 Ų957.8 Ų57.83%0.03434%0.338CS..EExtended strand (participates in β ladder)trans-116.7134.8165.4-177.3165.265.2-127-6.2111F380 E381 E383 E450 E451 F467 S474F380-R469 PolarHBondContact O-N 3.17Å; E381-R469 HydrophobicContact CB-CB 4.2Å; E381-R469 IonicContact OE2-CZ 3.14Å; E381-R469 IonicContact OE2-NH1 3.75Å; E381-R469 IonicContact OE2-NH2 3.66Å; E381-R469 PolarHBondContact OE2-NH2 3.47Å; E383-R469 IonicContact OE1-CZ 2.7Å; E383-R469 IonicContact OE1-NH2 3.36Å; E383-R469 PolarHBondContact OE1-NH2 3.33Å; E383-R469 IonicContact OE2-CZ 3.17Å; E383-R469 IonicContact OE2-NH2 3.36Å; E383-R469 PolarHBondContact OE2-NH2 2.93Å; E450-R469 CarbonylContact O-C 3.48Å; E450-R469 WeakPolarHBondContact O-CA 3.26Å; E451-R469 HydrophobicContact CG-CB 4.26Å; E451-R469 HydrophobicContact CG-CG 4.06Å; E451-R469 WeakPolarHBondContact OE1-CD 3.25Å; E451-R469 IonicContact OE1-NH1 3.95Å; F467-R469 HydrophobicContact CE2-CB 3.46Å; F467-R469 VanDerWaalsContact CE2-CB 3.46Å; F467-R469 HydrophobicContact CZ-CB 3.41Å; F467-R469 VanDerWaalsContact CZ-CB 3.41Å; R469-S474 PolarHBondContact NH1-OG 2.93Å; R469-S474 PolarHBondContact NH2-OG 3.15Å
470S88.4Confident78.2Confident50 Ų5051.9 Ų51.935%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-117.1162.5168.1-72.50000110.8S449 E450S449-S470 VanDerWaalsContact CA-O 3.25Å; S449-S470 WeakPolarHBondContact CA-O 3.1Å; S449-S470 WeakPolarHBondContact CB-O 3.33Å; E450-S470 PolarHBondContact N-O 3.23Å; E450-S470 VanDerWaalsContact N-O 3.13Å; E450-S470 PolarHBondContact O-N 3.12Å
471G82.8Confident77.7Confident51 Ų5152.2 Ų52.253%0.52630%0.298SS..EExtended strand (participates in β ladder)trans88.6-127.3179.200000113.1
472S71.7Confident76.9Confident41 Ų4146.2 Ų46.229%0.28728%0.276SS..SBendtrans-76.4142-170-48.90000112.8Q448Q448-S472 WeakPolarHBondContact O-CB 3.34Å; Q448-S472 PolarHBondContact O-N 3.39Å; Q448-S472 PolarHBondContact O-OG 3.13Å
473P63.2Low75.8Confident58 Ų5846.5 Ų46.538%0.37728%0.283SS..  trans-58.8154.2168.1-22.233.2000112.8P382 T475P382-P473 HydrophobicContact CB-CG 4.25Å; P473-T475 VanDerWaalsContact CB-OG1 3.22Å; P473-T475 WeakPolarHBondContact CB-OG1 3.45Å; P473-T475 PolarHBondContact O-N 3.39Å
474S57.4Low74.4Confident7 Ų746.8 Ų46.85%0.04929%0.289CS..SBendtrans-62.4-22.4163.3-60.50000112.6E383 R469 L476E383-S474 VanDerWaalsContact OE1-CA 3.3Å; E383-S474 WeakPolarHBondContact OE1-CA 3.39Å; E383-S474 WeakPolarHBondContact OE1-CB 3.47Å; E383-S474 PolarHBondContact OE1-N 3.41Å; E383-S474 PolarHBondContact OE1-OG 3.4Å; E383-S474 VanDerWaalsContact OE1-OG 3.07Å; R469-S474 PolarHBondContact NH1-OG 2.93Å; R469-S474 PolarHBondContact NH2-OG 3.15Å; S474-L476 PolarHBondContact O-N 2.6Å; S474-L476 VanDerWaalsContact O-N 3.1Å
475T54Low72.8Confident52 Ų5250.1 Ų50.132%0.31931%0.309SS..  trans-72.4100172.454.40000108.9L402 P473 S477L402-T475 HydrophobicContact CD2-CG2 3.7Å; P473-T475 VanDerWaalsContact CB-OG1 3.22Å; P473-T475 WeakPolarHBondContact CB-OG1 3.45Å; P473-T475 PolarHBondContact O-N 3.39Å; T475-S477 PolarHBondContact O-N 2.79Å
476L53.7Low70.9Confident47 Ų4751.2 Ų51.225%0.24632%0.317CS..  trans-75.161.3174.2-56.8174.1000109.8V410 T435 Y437 S474V410-L476 HydrophobicContact CG2-CD1 4.23Å; T435-L476 HydrophobicContact CG2-CD2 4.49Å; Y437-L476 HydrophobicContact CD1-CD1 4.11Å; Y437-L476 HydrophobicContact CD1-CD2 3.66Å; Y437-L476 HydrophobicContact CD1-CG 4.34Å; Y437-L476 HydrophobicContact CD2-CB 3.88Å; Y437-L476 HydrophobicContact CD2-CD1 3.98Å; Y437-L476 HydrophobicContact CD2-CD2 4.4Å; Y437-L476 HydrophobicContact CD2-CG 4.3Å; Y437-L476 HydrophobicContact CE1-CB 4.45Å; Y437-L476 HydrophobicContact CE1-CD2 3.52Å; Y437-L476 HydrophobicContact CE1-CG 4.39Å; Y437-L476 HydrophobicContact CE2-CB 3.64Å; Y437-L476 HydrophobicContact CE2-CD2 4.27Å; Y437-L476 HydrophobicContact CE2-CG 4.33Å; Y437-L476 HydrophobicContact CG-CB 4.38Å; Y437-L476 HydrophobicContact CG-CD1 3.74Å; Y437-L476 HydrophobicContact CG-CD2 4.11Å; Y437-L476 HydrophobicContact CG-CG 4.28Å; S474-L476 PolarHBondContact O-N 2.6Å; S474-L476 VanDerWaalsContact O-N 3.1Å
477S39.2Very low68.8Low87 Ų8751.2 Ų51.261%0.60832%0.323SS*.  trans-98.2101-177.560.20000112.3T475T475-S477 PolarHBondContact O-N 2.79Å
478N37.1Very low66.6Low144 Ų14455.5 Ų55.577%0.7735%0.351SS*.  -172.50122.3-96-10.8000108.8D439 S440D439-N478 VanDerWaalsContact CB-O 3.26Å; D439-N478 WeakPolarHBondContact CB-O 3.36Å; S440-N478 WeakPolarHBondContact CB-OXT 3.25Å; S440-N478 PolarHBondContact OG-OXT 3.46Å

Retrieved 478 of 478 residues in 107.6 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).