G4LUY0_SCHMA Loading...

DNA-directed RNA polymerase II subunit RPB3

AlphaFold DB , UniProt , Accession G4LUY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.1Very low78Confident219 Ų219119 Ų119100%1.07965%0.647SS**  0147.40-72.9-179.7-179.600108.1Y3M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 2.66Å
2P54.3Low79.2Confident130 Ų130116 Ų11684%0.84464%0.635SS**  trans-83.56.5-173.232.8-34000114.9
3Y60.6Low80.3Confident194 Ų194111.3 Ų111.376%0.76162%0.616SS**SBendtrans-94.4141.4172.7-64.3-73.7000110.1M1 N5M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 2.66Å; Y3-N5 PolarHBondContact O-N 2.88Å
4A69.6Low81.1Confident89 Ų89110.7 Ų110.774%0.73660%0.604SS**PPolyproline II helixtrans-55.7124.3166.300000108.2Q6A4-Q6 PolarHBondContact O-N 3.13Å
5N74.6Confident81.8Confident80 Ų80108.3 Ų108.343%0.42859%0.591SS.*PPolyproline II helixtrans-47.7123.5172.8-72.4-16.5000108.8Y3 P7 E25 D27Y3-N5 PolarHBondContact O-N 2.88Å; N5-P7 WeakPolarHBondContact O-CD 3.22Å; N5-E25 WeakPolarHBondContact CB-O 3.09Å; N5-D27 PolarHBondContact ND2-OD2 2.74Å
6Q86Confident82.2Confident162 Ų162107.5 Ų107.576%0.75759%0.586SS**  trans-98.396.8175.2-71.7-171.9-4.400107.7A4 I8 E25A4-Q6 PolarHBondContact O-N 3.13Å; Q6-I8 PolarHBondContact O-N 3.32Å; Q6-E25 WeakPolarHBondContact O-CB 3.41Å
7P91.1Very high82.6Confident83 Ų83107.2 Ų107.254%0.53958%0.58SS.*  trans-62.9130.7-175.726.2-35.2000110.5N5 L23 E24 T26N5-P7 WeakPolarHBondContact O-CD 3.22Å; P7-L23 HydrophobicContact CB-CD1 3.96Å; P7-E24 WeakPolarHBondContact CA-O 3.26Å; P7-T26 WeakPolarHBondContact CB-OG1 3.29Å
8I93.6Very high83.2Confident86 Ų86102.5 Ų102.544%0.44155%0.554SS.*EExtended strand (participates in β ladder)trans-103.6128174.5-57.3172.4000107.7Q6 E24 E25Q6-I8 PolarHBondContact O-N 3.32Å; I8-E24 HydrophobicContact CB-CB 4.21Å; I8-E24 PolarHBondContact N-O 3.02Å; I8-E24 PolarHBondContact O-N 3.12Å; I8-E25 HydrophobicContact CD1-CG 4.24Å
9V94.2Very high83.9Confident95 Ų9597.8 Ų97.858%0.57653%0.529SS*.EExtended strand (participates in β ladder)trans-114.8118.9178.3-178.50000109.1F21 V22 L23V9-F21 HydrophobicContact CG1-CB 4.38Å; V9-F21 HydrophobicContact CG1-CD2 3.99Å; V9-F21 HydrophobicContact CG1-CG 4.45Å; V9-V22 WeakPolarHBondContact CA-O 3.39Å; V9-L23 HydrophobicContact CG2-CD1 3.81Å
10T95.5Very high84.5Confident68 Ų6895.2 Ų95.242%0.41751%0.512SS..EExtended strand (participates in β ladder)trans-113.1116176.7-59.30000109.3F21 V22T10-F21 CarbonylContact O-C 3.59Å; T10-F21 VanDerWaalsContact O-CA 3.31Å; T10-F21 WeakPolarHBondContact O-CA 3.49Å; T10-V22 PolarHBondContact N-O 2.67Å; T10-V22 PolarHBondContact O-N 3.25Å
11L95.1Very high85.1Confident103 Ų10391.4 Ų91.454%0.53949%0.491SS..EExtended strand (participates in β ladder)trans-75.4125.8176.1-173.471.1000109.9F14 I19 F21L11-F14 HydrophobicContact CD1-CB 4.31Å; L11-F14 HydrophobicContact CD2-CB 4.03Å; L11-F14 HydrophobicContact CG-CB 4.49Å; L11-I19 HydrophobicContact CD1-CD1 3.82Å; L11-I19 HydrophobicContact CD1-CG1 3.69Å; L11-F21 HydrophobicContact CD1-CB 4.38Å
12T93.1Very high87.6Confident83 Ų8381.3 Ų81.351%0.50944%0.442SS..EExtended strand (participates in β ladder)trans-98-45.7179-53.50000111.5K20T12-K20 PolarHBondContact N-O 2.78Å
13S92.9Very high89.6Confident55 Ų5575.5 Ų75.539%0.38540%0.403SS..EExtended strand (participates in β ladder)trans-150.5147.2179.8-175.60000110.1K20S13-K20 PolarHBondContact N-O 3Å; S13-K20 VanDerWaalsContact N-O 3.13Å; S13-K20 PolarHBondContact O-N 2.81Å
14F92.3Very high91.2Very high103 Ų10368.5 Ų68.545%0.45238%0.378SS..EExtended strand (participates in β ladder)trans-147.4126.7178.9176.7-111.9000110.3L11 I19 R240L11-F14 HydrophobicContact CD1-CB 4.31Å; L11-F14 HydrophobicContact CD2-CB 4.03Å; L11-F14 HydrophobicContact CG-CB 4.49Å; F14-I19 HydrophobicContact CD2-CB 4.08Å; F14-I19 HydrophobicContact CD2-CD1 3.79Å; F14-I19 HydrophobicContact CD2-CG1 4Å; F14-I19 HydrophobicContact CE2-CD1 4.25Å; F14-R240 HydrophobicContact CE2-CB 4.27Å
15N91.4Very high92.3Very high74 Ų7468.8 Ų68.840%0.39636%0.363SS..  trans-139.7-176.216970.624.3000109.4E17 N18N15-E17 PolarHBondContact O-N 2.99Å; N15-E17 PolarHBondContact OD1-N 3.14Å; N15-N18 PolarHBondContact N-O 2.76Å; N15-N18 VanDerWaalsContact OD1-CA 3.24Å; N15-N18 WeakPolarHBondContact OD1-CA 3.48Å; N15-N18 WeakPolarHBondContact OD1-CB 3.25Å; N15-N18 PolarHBondContact OD1-N 3.05Å; N15-N18 PolarHBondContact OD1-O 2.81Å; N15-N18 VanDerWaalsContact OD1-O 3.1Å
16N87.4Confident93.1Very high96 Ų9665.7 Ų65.751%0.51335%0.347SS..SBendtrans-69.3-20.7-177.5-65.1-17.7000113.6Q238 P239N16-Q238 PolarHBondContact O-OE1 3.49Å; N16-P239 WeakPolarHBondContact O-CD 3.03Å
17E89.6Confident93.4Very high103 Ų10362.1 Ų62.148%0.48133%0.334SS..SBendtrans-108.8-17.9-173.7-64.6-178.3162.900112.7N15 E232 T233N15-E17 PolarHBondContact O-N 2.99Å; N15-E17 PolarHBondContact OD1-N 3.14Å; E17-E232 CarbonylContact O-C 3.58Å; E17-E232 VanDerWaalsContact O-CA 3.31Å; E17-E232 WeakPolarHBondContact O-CA 3.36Å; E17-T233 WeakPolarHBondContact O-CG2 3.03Å; E17-T233 PolarHBondContact O-N 2.9Å
18N93.8Very high93.5Very high22 Ų2260.9 Ų60.912%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-152.4136.9-161.7-167-87000111.6N15 K20 N230 I231N15-N18 PolarHBondContact N-O 2.76Å; N15-N18 VanDerWaalsContact OD1-CA 3.24Å; N15-N18 WeakPolarHBondContact OD1-CA 3.48Å; N15-N18 WeakPolarHBondContact OD1-CB 3.25Å; N15-N18 PolarHBondContact OD1-N 3.05Å; N15-N18 PolarHBondContact OD1-O 2.81Å; N15-N18 VanDerWaalsContact OD1-O 3.1Å; N18-K20 WeakPolarHBondContact OD1-CG 3.36Å; N18-N230 VanDerWaalsContact CG-OD1 3.22Å; N18-N230 PolarHBondContact ND2-OD1 3.18Å; N18-N230 PolarHBondContact OD1-OD1 3.04Å; N18-I231 CarbonylContact C-O 3.58Å; N18-I231 VanDerWaalsContact CA-O 3.31Å; N18-I231 WeakPolarHBondContact CA-O 3.43Å
19I95.7Very high93.4Very high14 Ų1460.8 Ų60.87%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-131.9122.3172-175162.7000110.1L11 F14 F21 I231 P239 I243L11-I19 HydrophobicContact CD1-CD1 3.82Å; L11-I19 HydrophobicContact CD1-CG1 3.69Å; F14-I19 HydrophobicContact CD2-CB 4.08Å; F14-I19 HydrophobicContact CD2-CD1 3.79Å; F14-I19 HydrophobicContact CD2-CG1 4Å; F14-I19 HydrophobicContact CE2-CD1 4.25Å; I19-F21 HydrophobicContact CG1-CD1 4.35Å; I19-I231 HydrophobicContact CG2-CB 3.74Å; I19-I231 HydrophobicContact CG2-CG2 4.41Å; I19-I231 PolarHBondContact N-O 2.85Å; I19-I231 PolarHBondContact O-N 2.88Å; I19-P239 HydrophobicContact CB-CB 3.83Å; I19-P239 HydrophobicContact CG2-CB 3.45Å; I19-P239 VanDerWaalsContact CG2-CB 3.45Å; I19-I243 HydrophobicContact CD1-CD1 3.74Å; I19-I243 HydrophobicContact CG1-CD1 4.31Å; I19-I243 HydrophobicContact CG2-CD1 3.75Å
20K96.1Very high93.4Very high44 Ų4459.6 Ų59.619%0.19132%0.322CS..EExtended strand (participates in β ladder)trans-108125.9173.3-61.9-168.4176.7-165.20110.2T12 S13 N18 E205 F229 N230T12-K20 PolarHBondContact N-O 2.78Å; S13-K20 PolarHBondContact N-O 3Å; S13-K20 VanDerWaalsContact N-O 3.13Å; S13-K20 PolarHBondContact O-N 2.81Å; N18-K20 WeakPolarHBondContact OD1-CG 3.36Å; K20-E205 VanDerWaalsContact NZ-CD 3.34Å; K20-E205 IonicContact NZ-OE1 2.74Å; K20-E205 PolarHBondContact NZ-OE1 3.27Å; K20-E205 IonicContact NZ-OE2 3.93Å; K20-E205 PolarHBondContact NZ-OE2 2.73Å; K20-F229 VanDerWaalsContact CA-O 3.28Å; K20-F229 WeakPolarHBondContact CA-O 3.46Å; K20-N230 HydrophobicContact CG-CB 4.2Å
21F96.3Very high93.3Very high16 Ų1656.4 Ų56.47%0.0730%0.302CS..EExtended strand (participates in β ladder)trans-145.8155.8176.567.1-87.1000111.4V9 T10 L11 I19 L23 F229 I231 I243V9-F21 HydrophobicContact CG1-CB 4.38Å; V9-F21 HydrophobicContact CG1-CD2 3.99Å; V9-F21 HydrophobicContact CG1-CG 4.45Å; T10-F21 CarbonylContact O-C 3.59Å; T10-F21 VanDerWaalsContact O-CA 3.31Å; T10-F21 WeakPolarHBondContact O-CA 3.49Å; L11-F21 HydrophobicContact CD1-CB 4.38Å; I19-F21 HydrophobicContact CG1-CD1 4.35Å; F21-L23 HydrophobicContact CE2-CB 4.41Å; F21-F229 HydrophobicContact CD1-CB 3.84Å; F21-F229 HydrophobicContact CD2-CB 4.11Å; F21-F229 HydrophobicContact CD2-CD2 4.26Å; F21-F229 HydrophobicContact CD2-CG 4.43Å; F21-F229 HydrophobicContact CE1-CB 3.44Å; F21-F229 VanDerWaalsContact CE1-CB 3.44Å; F21-F229 HydrophobicContact CE1-CD1 4.46Å; F21-F229 HydrophobicContact CE1-CG 4.01Å; F21-F229 HydrophobicContact CE2-CB 3.73Å; F21-F229 HydrophobicContact CE2-CD1 4.43Å; F21-F229 AromaticContact CE2-CD2 3.57Å; F21-F229 HydrophobicContact CE2-CD2 3.57Å; F21-F229 HydrophobicContact CE2-CE2 4.25Å; F21-F229 AromaticContact CE2-CG 3.67Å; F21-F229 HydrophobicContact CE2-CG 3.67Å; F21-F229 HydrophobicContact CG-CB 4.16Å; F21-F229 HydrophobicContact CZ-CB 3.39Å; F21-F229 AromaticContact CZ-CD1 3.85Å; F21-F229 HydrophobicContact CZ-CD1 3.85Å; F21-F229 AromaticContact CZ-CD2 3.84Å; F21-F229 HydrophobicContact CZ-CD2 3.84Å; F21-F229 AromaticContact CZ-CG 3.43Å; F21-F229 HydrophobicContact CZ-CG 3.43Å; F21-F229 VanDerWaalsContact CZ-CG 3.43Å; F21-F229 PolarHBondContact N-O 2.99Å; F21-F229 PolarHBondContact O-N 3.07Å; F21-I231 HydrophobicContact CE1-CD1 3.89Å; F21-I231 HydrophobicContact CE1-CG1 4.49Å; F21-I231 HydrophobicContact CZ-CD1 4.42Å; F21-I243 HydrophobicContact CD1-CD1 4.05Å; F21-I243 HydrophobicContact CE1-CD1 3.58Å; F21-I243 HydrophobicContact CE1-CG1 4.39Å; F21-I243 HydrophobicContact CZ-CD1 4.34Å
22V96.4Very high93.3Very high8 Ų854.2 Ų54.25%0.04829%0.291CS..EExtended strand (participates in β ladder)trans-106.3131.2174.5-169.10000108.4V9 T10 E24 R226 F227 Y228V9-V22 WeakPolarHBondContact CA-O 3.39Å; T10-V22 PolarHBondContact N-O 2.67Å; T10-V22 PolarHBondContact O-N 3.25Å; V22-E24 HydrophobicContact CG1-CG 4.09Å; V22-R226 HydrophobicContact CG1-CG 3.79Å; V22-F227 CarbonylContact C-O 3.55Å; V22-F227 WeakPolarHBondContact CA-O 3.28Å; V22-Y228 HydrophobicContact CB-CD1 4.47Å; V22-Y228 HydrophobicContact CG1-CD1 4.06Å; V22-Y228 HydrophobicContact CG1-CE1 4Å; V22-Y228 HydrophobicContact CG2-CD1 3.74Å; V22-Y228 HydrophobicContact CG2-CE1 4.01Å
23L95.6Very high93.4Very high8 Ų851.9 Ų51.94%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-109119.2173.5178.466.5000108.8P7 V9 F21 T26 A31 I34 R226 F227 F229P7-L23 HydrophobicContact CB-CD1 3.96Å; V9-L23 HydrophobicContact CG2-CD1 3.81Å; F21-L23 HydrophobicContact CE2-CB 4.41Å; L23-T26 HydrophobicContact CD2-CG2 4.01Å; L23-T26 HydrophobicContact CG-CG2 4.48Å; L23-A31 HydrophobicContact CD2-CB 3.97Å; L23-I34 HydrophobicContact CD2-CD1 4.26Å; L23-R226 WeakPolarHBondContact O-CA 3.26Å; L23-F227 HydrophobicContact CB-CB 4.4Å; L23-F227 PolarHBondContact N-O 3Å; L23-F227 WeakPolarHBondContact O-CD2 3.49Å; L23-F227 PolarHBondContact O-N 2.84Å; L23-F229 HydrophobicContact CB-CD2 4.27Å; L23-F229 HydrophobicContact CB-CE2 4.03Å; L23-F229 HydrophobicContact CD2-CE2 3.99Å
24E94.7Very high93.5Very high47 Ų4750.3 Ų50.322%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-116163.1-179.4-73.1169-178.500110.8P7 I8 V22 T26 N225 R226P7-E24 WeakPolarHBondContact CA-O 3.26Å; I8-E24 HydrophobicContact CB-CB 4.21Å; I8-E24 PolarHBondContact N-O 3.02Å; I8-E24 PolarHBondContact O-N 3.12Å; V22-E24 HydrophobicContact CG1-CG 4.09Å; E24-T26 VanDerWaalsContact C-N 3.29Å; E24-T26 PolarHBondContact O-N 3.5Å; E24-T26 PolarHBondContact O-OG1 2.8Å; E24-N225 CarbonylContact C-O 3.57Å; E24-N225 VanDerWaalsContact CA-O 3.31Å; E24-N225 WeakPolarHBondContact CA-O 3.36Å; E24-R226 HydrophobicContact CG-CB 4.28Å; E24-R226 HydrophobicContact CG-CG 3.83Å; E24-R226 IonicContact OE1-CZ 3.08Å; E24-R226 VanDerWaalsContact OE1-CZ 3.31Å; E24-R226 IonicContact OE1-NE 2.79Å; E24-R226 PolarHBondContact OE1-NE 3.44Å; E24-R226 IonicContact OE1-NH2 2.76Å; E24-R226 PolarHBondContact OE1-NH2 3.25Å; E24-R226 VanDerWaalsContact OE1-NH2 3.07Å
25E92.4Very high93.7Very high94 Ų9449.1 Ų49.144%0.43926%0.26SS..SBendtrans54.142.9177.8-61.5-58.8145.400112.9N5 Q6 I8 N225N5-E25 WeakPolarHBondContact CB-O 3.09Å; Q6-E25 WeakPolarHBondContact O-CB 3.41Å; I8-E25 HydrophobicContact CD1-CG 4.24Å; E25-N225 PolarHBondContact N-O 2.68Å
26T91.6Very high93.9Very high15 Ų1553.5 Ų53.59%0.09227%0.271CS..  trans-133.6153.7-179.9-56.60000110.9P7 L23 E24 V30 F227P7-T26 WeakPolarHBondContact CB-OG1 3.29Å; L23-T26 HydrophobicContact CD2-CG2 4.01Å; L23-T26 HydrophobicContact CG-CG2 4.48Å; E24-T26 VanDerWaalsContact C-N 3.29Å; E24-T26 PolarHBondContact O-N 3.5Å; E24-T26 PolarHBondContact O-OG1 2.8Å; T26-V30 HydrophobicContact CG2-CB 3.72Å; T26-V30 HydrophobicContact CG2-CG1 3.83Å; T26-F227 VanDerWaalsContact O-CE2 3.23Å; T26-F227 WeakPolarHBondContact O-CE2 3.49Å
27D92.1Very high94.3Very high87 Ų8749.2 Ų49.247%0.46525%0.248SC..  trans-77.1145.5172.3-65.4-63.8000111.8N5 S29 V30 A31N5-D27 PolarHBondContact ND2-OD2 2.74Å; D27-S29 PolarHBondContact O-N 3.42Å; D27-S29 VanDerWaalsContact O-N 3.1Å; D27-V30 PolarHBondContact O-N 3.29Å; D27-A31 PolarHBondContact O-N 3.39Å; D27-A31 VanDerWaalsContact O-N 3.09Å
28L93Very high94.6Very high58 Ų5844.4 Ų44.430%0.30423%0.226SC..Hα-helixtrans-52.7-34.7176.1173.663.2000112.8N32 F182 Y184 P224 F227L28-N32 VanDerWaalsContact O-CB 3.23Å; L28-N32 WeakPolarHBondContact O-CB 3.37Å; L28-N32 PolarHBondContact O-N 3.31Å; L28-F182 HydrophobicContact CD1-CE1 4.1Å; L28-F182 HydrophobicContact CD1-CZ 3.8Å; L28-Y184 HydrophobicContact CD1-CD1 3.93Å; L28-Y184 HydrophobicContact CD1-CE1 3.81Å; L28-Y184 HydrophobicContact CD2-CE1 4.48Å; L28-P224 HydrophobicContact CB-CB 4.42Å; L28-P224 HydrophobicContact CD2-CG 4.37Å; L28-F227 HydrophobicContact CB-CE1 3.99Å; L28-F227 HydrophobicContact CB-CZ 4.01Å; L28-F227 HydrophobicContact CD1-CD1 4.27Å; L28-F227 HydrophobicContact CD1-CE1 3.56Å; L28-F227 HydrophobicContact CD1-CZ 4.42Å; L28-F227 HydrophobicContact CG-CE1 4.39Å
29S92.7Very high94.7Very high83 Ų8345.5 Ų45.558%0.5823%0.232SC*.Hα-helixtrans-64.5-44.1179.155.90000112.4D27 A33D27-S29 PolarHBondContact O-N 3.42Å; D27-S29 VanDerWaalsContact O-N 3.1Å; S29-A33 VanDerWaalsContact O-CB 3.31Å; S29-A33 WeakPolarHBondContact O-CB 3.32Å; S29-A33 PolarHBondContact O-N 3.13Å
30V93Very high94.6Very high71 Ų7146.3 Ų46.343%0.4324%0.24SC..Hα-helixtrans-70-45.1179.3177.40000110.1T26 D27 N32 A33 I34T26-V30 HydrophobicContact CG2-CB 3.72Å; T26-V30 HydrophobicContact CG2-CG1 3.83Å; D27-V30 PolarHBondContact O-N 3.29Å; V30-N32 PolarHBondContact O-N 3.16Å; V30-A33 WeakPolarHBondContact O-CB 3.08Å; V30-A33 PolarHBondContact O-N 3.31Å; V30-A33 VanDerWaalsContact O-N 3.14Å; V30-I34 HydrophobicContact CG1-CD1 4.36Å; V30-I34 WeakPolarHBondContact O-CG1 3.45Å; V30-I34 PolarHBondContact O-N 3.46Å
31A94.5Very high94.6Very high0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-58.9-4817700000111.3L23 D27 A33 I34 R35 F182 F227 F229L23-A31 HydrophobicContact CD2-CB 3.97Å; D27-A31 PolarHBondContact O-N 3.39Å; D27-A31 VanDerWaalsContact O-N 3.09Å; A31-A33 VanDerWaalsContact C-N 3.32Å; A31-A33 PolarHBondContact O-N 3.36Å; A31-I34 PolarHBondContact O-N 2.86Å; A31-R35 PolarHBondContact O-N 2.97Å; A31-R35 VanDerWaalsContact O-N 3.13Å; A31-F182 HydrophobicContact CB-CE2 3.88Å; A31-F182 HydrophobicContact CB-CZ 4.25Å; A31-F227 HydrophobicContact CB-CB 4.35Å; A31-F227 HydrophobicContact CB-CD1 3.92Å; A31-F227 HydrophobicContact CB-CD2 3.72Å; A31-F227 HydrophobicContact CB-CE1 4.21Å; A31-F227 HydrophobicContact CB-CE2 4.01Å; A31-F227 HydrophobicContact CB-CG 3.69Å; A31-F227 HydrophobicContact CB-CZ 4.25Å; A31-F229 HydrophobicContact CB-CE2 4.3Å; A31-F229 HydrophobicContact CB-CZ 4.09Å; A31-F229 WeakPolarHBondContact O-CZ 3.06Å
32N94.6Very high94.6Very high57 Ų5745.1 Ų45.131%0.30524%0.235SC..Hα-helixtrans-66.7-31.6176.5-17343000112.8L28 V30 R35 R36 F182L28-N32 VanDerWaalsContact O-CB 3.23Å; L28-N32 WeakPolarHBondContact O-CB 3.37Å; L28-N32 PolarHBondContact O-N 3.31Å; V30-N32 PolarHBondContact O-N 3.16Å; N32-R35 WeakPolarHBondContact O-CB 3.41Å; N32-R35 PolarHBondContact O-N 2.92Å; N32-R36 VanDerWaalsContact O-CG 3.31Å; N32-R36 WeakPolarHBondContact O-CG 3.28Å; N32-R36 PolarHBondContact O-N 3.35Å; N32-F182 HydrophobicContact CB-CZ 4.45Å
33A95.5Very high94.6Very high35 Ų3545.1 Ų45.129%0.28924%0.236SC..Hα-helixtrans-63.6-44.2174.300000111.5S29 V30 A31 R35 R36 V37 L250S29-A33 VanDerWaalsContact O-CB 3.31Å; S29-A33 WeakPolarHBondContact O-CB 3.32Å; S29-A33 PolarHBondContact O-N 3.13Å; V30-A33 WeakPolarHBondContact O-CB 3.08Å; V30-A33 PolarHBondContact O-N 3.31Å; V30-A33 VanDerWaalsContact O-N 3.14Å; A31-A33 VanDerWaalsContact C-N 3.32Å; A31-A33 PolarHBondContact O-N 3.36Å; A33-R35 VanDerWaalsContact C-N 3.35Å; A33-R35 PolarHBondContact O-N 2.88Å; A33-R36 PolarHBondContact O-N 3.23Å; A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 3.39Å; A33-L250 HydrophobicContact CB-CD2 4.44Å
34I95.3Very high94.6Very high21 Ų2144.9 Ų44.911%0.10823%0.234CC..Hα-helixtrans-57.1-49.9174.6-65.9166.4000109.9L23 V30 A31 R36 V37 C38 L247 L250L23-I34 HydrophobicContact CD2-CD1 4.26Å; V30-I34 HydrophobicContact CG1-CD1 4.36Å; V30-I34 WeakPolarHBondContact O-CG1 3.45Å; V30-I34 PolarHBondContact O-N 3.46Å; A31-I34 PolarHBondContact O-N 2.86Å; I34-R36 VanDerWaalsContact C-N 3.34Å; I34-R36 PolarHBondContact O-N 3.17Å; I34-V37 PolarHBondContact O-N 3.35Å; I34-C38 PolarHBondContact O-N 2.77Å; I34-C38 PolarHBondContact O-SG 3.4Å; I34-L247 HydrophobicContact CD1-CD2 4.13Å; I34-L247 HydrophobicContact CG1-CD2 4.07Å; I34-L250 HydrophobicContact CG1-CD1 3.87Å
35R95.7Very high94.6Very high79 Ų7942.7 Ų42.730%0.29822%0.224SC..Hα-helixtrans-51.2-52.2175.9178.2-178.2-167.4-95.3-8112.1A31 N32 A33 V37 C38 I39 V180 F182 F229A31-R35 PolarHBondContact O-N 2.97Å; A31-R35 VanDerWaalsContact O-N 3.13Å; N32-R35 WeakPolarHBondContact O-CB 3.41Å; N32-R35 PolarHBondContact O-N 2.92Å; A33-R35 VanDerWaalsContact C-N 3.35Å; A33-R35 PolarHBondContact O-N 2.88Å; R35-V37 PolarHBondContact O-N 2.73Å; R35-C38 PolarHBondContact O-N 2.78Å; R35-I39 HydrophobicContact CG-CD1 4.3Å; R35-I39 WeakPolarHBondContact O-CG1 3.19Å; R35-I39 PolarHBondContact O-N 2.75Å; R35-V180 HydrophobicContact CG-CB 4.41Å; R35-V180 HydrophobicContact CG-CG1 3.77Å; R35-V180 PolarHBondContact NE-O 3.16Å; R35-V180 PolarHBondContact NH2-O 3.49Å; R35-F182 HydrophobicContact CG-CB 4.31Å; R35-F229 HydrophobicContact CB-CE1 4.02Å
36R95.7Very high94.8Very high165 Ų16538.3 Ų38.362%0.62320%0.204SC*.Hα-helixtrans-65.7-39.5-175.2-71.8178.667.6164.33.9112.3N32 A33 I34 I39 A40N32-R36 VanDerWaalsContact O-CG 3.31Å; N32-R36 WeakPolarHBondContact O-CG 3.28Å; N32-R36 PolarHBondContact O-N 3.35Å; A33-R36 PolarHBondContact O-N 3.23Å; I34-R36 VanDerWaalsContact C-N 3.34Å; I34-R36 PolarHBondContact O-N 3.17Å; R36-I39 PolarHBondContact O-N 2.95Å; R36-A40 WeakPolarHBondContact O-CB 3.48Å; R36-A40 PolarHBondContact O-N 2.85Å
37V96.3Very high95.1Very high7 Ų737.7 Ų37.74%0.04220%0.2CC..Hα-helixtrans-69.5-40.5-180170.10000111.3A33 I34 R35 I39 A40 E41 V42 G246 V249 L250A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 3.39Å; I34-V37 PolarHBondContact O-N 3.35Å; R35-V37 PolarHBondContact O-N 2.73Å; V37-I39 PolarHBondContact O-N 2.96Å; V37-A40 PolarHBondContact O-N 3.4Å; V37-E41 HydrophobicContact CG1-CB 4.12Å; V37-E41 PolarHBondContact O-N 2.76Å; V37-V42 PolarHBondContact O-N 3.12Å; V37-G246 VanDerWaalsContact CG1-O 3.31Å; V37-G246 WeakPolarHBondContact CG1-O 3.47Å; V37-V249 HydrophobicContact CG1-CB 3.89Å; V37-V249 HydrophobicContact CG1-CG1 3.83Å; V37-L250 HydrophobicContact CB-CG 4.23Å; V37-L250 HydrophobicContact CG1-CG 4.23Å; V37-L250 HydrophobicContact CG2-CD1 4.43Å; V37-L250 HydrophobicContact CG2-CD2 3.6Å; V37-L250 HydrophobicContact CG2-CG 3.84Å
38C95.5Very high95.3Very high1 Ų136.6 Ų36.61%0.00719%0.194CC..Hα-helixtrans-55.4-39.1175.1-710000112.8I34 R35 I242I34-C38 PolarHBondContact O-N 2.77Å; I34-C38 PolarHBondContact O-SG 3.4Å; R35-C38 PolarHBondContact O-N 2.78Å; C38-I242 HydrophobicContact CB-CG2 4.02Å
39I95.1Very high95.4Very high46 Ų4638.6 Ų38.624%0.23620%0.198CC..Hα-helixtrans-77.7-48.1179.6-58.6166.8000111.6R35 R36 V37 N175 V180R35-I39 HydrophobicContact CG-CD1 4.3Å; R35-I39 WeakPolarHBondContact O-CG1 3.19Å; R35-I39 PolarHBondContact O-N 2.75Å; R36-I39 PolarHBondContact O-N 2.95Å; V37-I39 PolarHBondContact O-N 2.96Å; I39-N175 PolarHBondContact O-OD1 3.48Å; I39-V180 HydrophobicContact CD1-CB 4.04Å; I39-V180 HydrophobicContact CD1-CG2 4.11Å; I39-V180 HydrophobicContact CG1-CB 4.04Å; I39-V180 HydrophobicContact CG1-CG2 3.54Å
40A95.2Very high95.6Very high30 Ų3036.2 Ų36.225%0.24818%0.18CC..Hα-helixtrans-103.2-19.7-160.600000114.7R36 V37 G168 K169R36-A40 WeakPolarHBondContact O-CB 3.48Å; R36-A40 PolarHBondContact O-N 2.85Å; V37-A40 PolarHBondContact O-N 3.4Å; A40-G168 CarbonylContact O-C 3.54Å; A40-G168 PolarHBondContact O-N 2.82Å; A40-G168 VanDerWaalsContact O-N 3.12Å; A40-K169 HydrophobicContact CB-CB 4.42Å; A40-K169 WeakPolarHBondContact O-CB 3.47Å; A40-K169 PolarHBondContact O-N 3.08Å
41E95.9Very high95.8Very high36 Ų3636.4 Ų36.417%0.16818%0.176CC..THydrogen-bonded Turntrans-133.5-5.9-165.3-61.2-175.8-17700114.6V37 P43 V249 K253V37-E41 HydrophobicContact CG1-CB 4.12Å; V37-E41 PolarHBondContact O-N 2.76Å; E41-P43 WeakPolarHBondContact O-CD 3.19Å; E41-V249 HydrophobicContact CB-CG1 3.99Å; E41-V249 WeakPolarHBondContact OE2-CG1 3.43Å; E41-K253 IonicContact OE1-NZ 2.87Å; E41-K253 PolarHBondContact OE1-NZ 2.79Å; E41-K253 WeakPolarHBondContact OE2-CE 3.45Å; E41-K253 IonicContact OE2-NZ 3.17Å; E41-K253 PolarHBondContact OE2-NZ 3.17Å
42V95.8Very high96Very high0 Ų038.4 Ų38.40%019%0.186CC..SBendtrans-63.5123.6168.2171.10000108.4V37 P176 L237 I242V37-V42 PolarHBondContact O-N 3.12Å; V42-P176 HydrophobicContact CB-CG 3.81Å; V42-P176 HydrophobicContact CG1-CG 3.75Å; V42-L237 HydrophobicContact CG1-CD1 3.89Å; V42-I242 HydrophobicContact CG1-CG2 4.47Å; V42-I242 HydrophobicContact CG2-CG2 4.09Å; V42-I242 WeakPolarHBondContact CG2-O 3.27Å
43P95.7Very high96.1Very high8 Ų840.7 Ų40.75%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-67.8142.4179.227.7-33.7000110.6E41 V79 K165 G166 L237E41-P43 WeakPolarHBondContact O-CD 3.19Å; P43-V79 HydrophobicContact CB-CG2 3.92Å; P43-V79 HydrophobicContact CG-CG2 4.25Å; P43-V79 WeakPolarHBondContact O-CG2 3.45Å; P43-K165 HydrophobicContact CB-CG 4.38Å; P43-G166 CarbonylContact C-O 3.59Å; P43-G166 VanDerWaalsContact CA-O 3.28Å; P43-G166 WeakPolarHBondContact CA-O 3.47Å; P43-L237 WeakPolarHBondContact O-CD1 3.49Å
44T95.8Very high96.2Very high2 Ų241.9 Ų41.91%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-148170.2173-169.80000110.6C75 K165 G166 W174T44-C75 PolarHBondContact OG1-SG 3.01Å; T44-C75 VanDerWaalsContact OG1-SG 3.4Å; T44-K165 WeakPolarHBondContact O-CA 3.38Å; T44-G166 PolarHBondContact N-O 2.74Å; T44-G166 PolarHBondContact O-N 3.35Å; T44-W174 HydrophobicContact CG2-CB 3.72Å; T44-W174 HydrophobicContact CG2-CG 4.27Å; T44-W174 WeakPolarHBondContact CG2-O 3.44Å; T44-W174 VanDerWaalsContact O-CD1 3.31Å
45L96Very high96.2Very high2 Ų242.7 Ų42.71%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-99.1133.8173.6-63.1-177000110.8C75 V78 M82 V127 K165L45-C75 HydrophobicContact CB-CB 3.94Å; L45-C75 HydrophobicContact CD1-CB 3.62Å; L45-C75 HydrophobicContact CG-CB 3.7Å; L45-V78 HydrophobicContact CD1-CB 4.48Å; L45-V78 HydrophobicContact CD1-CG1 4.1Å; L45-M82 HydrophobicContact CD1-SD 3.92Å; L45-M82 HydrophobicContact CD2-CE 4.04Å; L45-M82 HydrophobicContact CD2-SD 3.39Å; L45-M82 WeakPolarHBondContact CD2-SD 3.48Å; L45-M82 HydrophobicContact CG-SD 4.3Å; L45-V127 HydrophobicContact CD1-CG1 4.16Å; L45-V127 HydrophobicContact CD1-CG2 3.73Å; L45-K165 HydrophobicContact CD2-CB 3.85Å
46A96.7Very high96.2Very high2 Ų242.2 Ų42.22%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-144.7154.6170.900000110.2D48 A163 K164 K173 W174A46-D48 PolarHBondContact O-N 3.29Å; A46-A163 VanDerWaalsContact O-CA 3.27Å; A46-A163 WeakPolarHBondContact O-CA 2.85Å; A46-K164 PolarHBondContact N-O 2.98Å; A46-K164 PolarHBondContact O-N 2.92Å; A46-K173 HydrophobicContact CB-CB 4.13Å; A46-K173 HydrophobicContact CB-CD 4.25Å; A46-K173 HydrophobicContact CB-CG 3.78Å; A46-K173 WeakPolarHBondContact CB-O 3.48Å; A46-W174 VanDerWaalsContact CB-CD1 3.49Å; A46-W174 HydrophobicContact CB-CD2 4.45Å; A46-W174 HydrophobicContact CB-CG 4.09Å
47I97.1Very high96.2Very high1 Ų135.1 Ų35.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-69.3122.5175.7-60.7174.9000108.8V50 V68 G69 L73 L101 L120 A161 A163I47-V50 HydrophobicContact CG2-CG2 3.66Å; I47-V68 HydrophobicContact CB-CG1 4.48Å; I47-V68 HydrophobicContact CD1-CG1 3.52Å; I47-V68 HydrophobicContact CG2-CG1 4.05Å; I47-G69 WeakPolarHBondContact O-CA 3.47Å; I47-L73 HydrophobicContact CG1-CD1 4.03Å; I47-L101 HydrophobicContact CD1-CD1 4.18Å; I47-L101 HydrophobicContact CD1-CD2 4.34Å; I47-L101 HydrophobicContact CG1-CD1 4.13Å; I47-L120 HydrophobicContact CD1-CD1 4.45Å; I47-A161 HydrophobicContact CD1-CB 4.14Å; I47-A161 HydrophobicContact CG2-CB 3.71Å; I47-A163 HydrophobicContact CG1-CB 4.31Å
48D95.7Very high96.1Very high64 Ų6442 Ų4234%0.34221%0.213SC..EExtended strand (participates in β ladder)trans-113.1-42.1-176.7-177.860.1000112.6A46 I162 K164 K173 W174A46-D48 PolarHBondContact O-N 3.29Å; D48-I162 PolarHBondContact N-O 3.41Å; D48-K164 HydrophobicContact CB-CB 4.36Å; D48-K164 HydrophobicContact CB-CD 3.93Å; D48-K164 HydrophobicContact CB-CG 4.19Å; D48-K164 WeakPolarHBondContact OD2-CD 3.39Å; D48-K164 WeakPolarHBondContact OD2-CE 3.43Å; D48-K164 IonicContact OD2-NZ 3.35Å; D48-K164 PolarHBondContact OD2-NZ 3.27Å; D48-K173 IonicContact OD1-NZ 2.73Å; D48-K173 PolarHBondContact OD1-NZ 3.41Å; D48-W174 HydrophobicContact CB-CH2 4.44Å; D48-W174 HydrophobicContact CB-CZ2 4.05Å; D48-W174 WeakPolarHBondContact OD1-CH2 3.41Å
49W95.4Very high96Very high100 Ų10044.1 Ų44.138%0.37922%0.224SC..EExtended strand (participates in β ladder)trans-115.7127.7-176.8-17089.8000109.4Q51 F93 A161 I162W49-Q51 HydrophobicContact CE3-CB 4.18Å; W49-Q51 HydrophobicContact CH2-CB 3.44Å; W49-Q51 VanDerWaalsContact CH2-CB 3.44Å; W49-Q51 HydrophobicContact CH2-CG 4.08Å; W49-Q51 VanDerWaalsContact CH2-OE1 3.26Å; W49-Q51 HydrophobicContact CZ2-CB 4.26Å; W49-Q51 HydrophobicContact CZ3-CB 3.36Å; W49-Q51 HydrophobicContact CZ3-CG 4.38Å; W49-F93 HydrophobicContact CD2-CE2 4.41Å; W49-F93 HydrophobicContact CD2-CZ 4.48Å; W49-F93 HydrophobicContact CE3-CE2 4.41Å; W49-F93 HydrophobicContact CG-CZ 4.37Å; W49-A161 CarbonylContact O-C 3.59Å; W49-A161 WeakPolarHBondContact O-CA 3.45Å; W49-I162 HydrophobicContact CB-CB 4.23Å; W49-I162 HydrophobicContact CE3-CB 4.44Å; W49-I162 HydrophobicContact CE3-CG1 3.73Å; W49-I162 HydrophobicContact CZ3-CG1 4.29Å; W49-I162 PolarHBondContact N-O 3.44Å; W49-I162 PolarHBondContact O-N 3.17Å
50V97.4Very high96.1Very high33 Ų3346.1 Ų46.120%0.224%0.235CC..EExtended strand (participates in β ladder)trans-128.2124.7-178.7-176.30000108.2I47 I52 A65 V68 L159 R160 A161I47-V50 HydrophobicContact CG2-CG2 3.66Å; V50-I52 HydrophobicContact CG1-CG1 4.18Å; V50-A65 HydrophobicContact CB-CB 4.1Å; V50-A65 HydrophobicContact CG1-CB 4.36Å; V50-A65 HydrophobicContact CG2-CB 4.35Å; V50-V68 HydrophobicContact CG2-CG1 4.34Å; V50-L159 HydrophobicContact CG1-CB 4.48Å; V50-L159 HydrophobicContact CG1-CD1 4.45Å; V50-L159 HydrophobicContact CG1-CD2 4.34Å; V50-R160 CarbonylContact C-O 3.6Å; V50-R160 WeakPolarHBondContact CA-O 3.43Å; V50-A161 HydrophobicContact CG2-CB 4.41Å
51Q97Very high96.2Very high76 Ų7648.4 Ų48.436%0.35524%0.243SC..EExtended strand (participates in β ladder)trans-110.5114.9173.5174.1178.814.700108.6W49 L159 R160W49-Q51 HydrophobicContact CE3-CB 4.18Å; W49-Q51 HydrophobicContact CH2-CB 3.44Å; W49-Q51 VanDerWaalsContact CH2-CB 3.44Å; W49-Q51 HydrophobicContact CH2-CG 4.08Å; W49-Q51 VanDerWaalsContact CH2-OE1 3.26Å; W49-Q51 HydrophobicContact CZ2-CB 4.26Å; W49-Q51 HydrophobicContact CZ3-CB 3.36Å; W49-Q51 HydrophobicContact CZ3-CG 4.38Å; Q51-L159 CarbonylContact O-C 3.54Å; Q51-L159 VanDerWaalsContact O-CA 3.26Å; Q51-L159 WeakPolarHBondContact O-CA 3.49Å; Q51-L159 WeakPolarHBondContact O-CB 3.49Å; Q51-R160 HydrophobicContact CB-CB 4.41Å; Q51-R160 PolarHBondContact N-O 3.19Å; Q51-R160 PolarHBondContact O-N 2.96Å
52I97.5Very high96.2Very high41 Ų4152 Ų5221%0.2126%0.26CS..EExtended strand (participates in β ladder)trans-92.4122.7176.6-65170.2000107.5V50 N55 D61 I64 L159V50-I52 HydrophobicContact CG1-CG1 4.18Å; I52-N55 HydrophobicContact CG2-CB 3.62Å; I52-D61 HydrophobicContact CD1-CB 3.54Å; I52-I64 HydrophobicContact CD1-CB 4.43Å; I52-I64 HydrophobicContact CD1-CG2 4.44Å; I52-L159 HydrophobicContact CG1-CB 4.09Å; I52-L159 HydrophobicContact CG1-CD2 4.49Å
53E97.1Very high96.3Very high106 Ų10657 Ų5750%0.49528%0.282SS..EExtended strand (participates in β ladder)trans-93.2-39.6177.4-66.4-174-173.200111.4K158E53-K158 HydrophobicContact CB-CB 4.37Å; E53-K158 HydrophobicContact CB-CD 4.28Å; E53-K158 HydrophobicContact CB-CG 4.28Å; E53-K158 PolarHBondContact N-O 3.35Å; E53-K158 VanDerWaalsContact OE2-CD 3.22Å; E53-K158 WeakPolarHBondContact OE2-CD 3.4Å; E53-K158 WeakPolarHBondContact OE2-CE 3.29Å; E53-K158 IonicContact OE2-NZ 2.68Å; E53-K158 PolarHBondContact OE2-NZ 2.91Å
54D97.3Very high96.3Very high59 Ų5956.6 Ų56.632%0.31628%0.279SS..EExtended strand (participates in β ladder)trans-145.9122.7179.5-168.82.7000109.4R156 L157 K158D54-R156 WeakPolarHBondContact OD2-CD 3.29Å; D54-L157 CarbonylContact O-C 3.53Å; D54-L157 WeakPolarHBondContact O-CA 3.5Å; D54-K158 HydrophobicContact CB-CB 3.98Å; D54-K158 PolarHBondContact N-O 2.88Å; D54-K158 VanDerWaalsContact N-O 3.13Å; D54-K158 PolarHBondContact O-N 3.31Å
55N97Very high96.4Very high38 Ų3858 Ų5820%0.20329%0.291CS..EExtended strand (participates in β ladder)trans-140.4109.2173.3176.227.9000109.4I52 T57 L59 D61 I64 L157I52-N55 HydrophobicContact CG2-CB 3.62Å; N55-T57 WeakPolarHBondContact OD1-CB 3.45Å; N55-T57 WeakPolarHBondContact OD1-CG2 3.3Å; N55-T57 PolarHBondContact OD1-N 2.88Å; N55-T57 PolarHBondContact OD1-OG1 2.68Å; N55-L59 PolarHBondContact ND2-O 3.21Å; N55-D61 WeakPolarHBondContact CB-OD1 3.33Å; N55-D61 PolarHBondContact ND2-OD1 2.9Å; N55-I64 WeakPolarHBondContact ND2-CD1 3.4Å; N55-L157 HydrophobicContact CB-CD1 4.11Å
56N95.5Very high96.4Very high70 Ų7063.4 Ų63.437%0.37432%0.316SS..  trans-116.619.2169.673.33.5000111.6G154 Q155 R156N56-G154 PolarHBondContact ND2-O 2.84Å; N56-G154 VanDerWaalsContact ND2-O 3.12Å; N56-Q155 PolarHBondContact O-NE2 3.27Å; N56-Q155 WeakPolarHBondContact OD1-CA 3.44Å; N56-Q155 WeakPolarHBondContact OD1-CB 3.32Å; N56-R156 PolarHBondContact N-O 2.86Å; N56-R156 PolarHBondContact OD1-N 2.87Å; N56-R156 PolarHBondContact OD1-O 3.44Å
57T95Very high96.4Very high15 Ų1567.9 Ų67.99%0.09233%0.333CS..SBendtrans-74.5177.7178.278.40000110.7N55 L59 V149 M151 L157N55-T57 WeakPolarHBondContact OD1-CB 3.45Å; N55-T57 WeakPolarHBondContact OD1-CG2 3.3Å; N55-T57 PolarHBondContact OD1-N 2.88Å; N55-T57 PolarHBondContact OD1-OG1 2.68Å; T57-L59 VanDerWaalsContact C-N 3.29Å; T57-L59 PolarHBondContact OG1-N 2.89Å; T57-L59 PolarHBondContact OG1-O 3.41Å; T57-V149 HydrophobicContact CG2-CG2 4.4Å; T57-M151 HydrophobicContact CG2-CE 4.34Å; T57-M151 HydrophobicContact CG2-CG 4.12Å; T57-M151 HydrophobicContact CG2-SD 4.35Å; T57-L157 HydrophobicContact CG2-CB 4.07Å
58M93.3Very high96.3Very high151 Ų15167.9 Ų67.974%0.74433%0.333SS*.SBendtrans-80.2-12.1176.4-63.6-66.9105.700113.2Q155M58-Q155 VanDerWaalsContact CE-NE2 3.26Å
59L95.3Very high96.4Very high47 Ų4765.2 Ų65.225%0.24632%0.321CS..SBendtrans-95136.4179.5-63.9-177.7000109.4N55 T57 I64 V149N55-L59 PolarHBondContact ND2-O 3.21Å; T57-L59 VanDerWaalsContact C-N 3.29Å; T57-L59 PolarHBondContact OG1-N 2.89Å; T57-L59 PolarHBondContact OG1-O 3.41Å; L59-I64 HydrophobicContact CB-CD1 4.08Å; L59-I64 HydrophobicContact CB-CG1 3.83Å; L59-I64 HydrophobicContact CD1-CG1 4.39Å; L59-V149 HydrophobicContact CD1-CB 3.98Å; L59-V149 HydrophobicContact CD1-CG2 3.73Å; L59-V149 HydrophobicContact CG-CG2 4Å
60N96.5Very high96.4Very high88 Ų8864.8 Ų64.847%0.47133%0.325SS..  trans-68.2160.4171.8-52.7-18.8000111E62 F63 I64N60-E62 VanDerWaalsContact C-N 3.3Å; N60-E62 WeakPolarHBondContact CB-OE1 3.3Å; N60-E62 WeakPolarHBondContact CB-OE2 3.28Å; N60-E62 PolarHBondContact ND2-OE1 3.09Å; N60-E62 PolarHBondContact O-N 2.8Å; N60-F63 HydrophobicContact CB-CD2 4.07Å; N60-F63 PolarHBondContact O-N 3.03Å; N60-F63 VanDerWaalsContact O-N 3.13Å; N60-I64 PolarHBondContact O-N 3.01Å; N60-I64 VanDerWaalsContact O-N 3.16Å
61D97.3Very high96.2Very high78 Ų7863.3 Ų63.342%0.41732%0.316SS..Hα-helixtrans-55-42.2-177.9-72.2-1.9000112.7I52 N55 F63 I64 A65I52-D61 HydrophobicContact CD1-CB 3.54Å; N55-D61 WeakPolarHBondContact CB-OD1 3.33Å; N55-D61 PolarHBondContact ND2-OD1 2.9Å; D61-F63 VanDerWaalsContact C-N 3.35Å; D61-F63 PolarHBondContact O-N 2.95Å; D61-I64 PolarHBondContact O-N 2.93Å; D61-A65 VanDerWaalsContact O-CB 3.29Å; D61-A65 WeakPolarHBondContact O-CB 3.31Å; D61-A65 PolarHBondContact O-N 2.8Å
62E96.5Very high96.1Very high111 Ų11161.1 Ų61.152%0.51931%0.309SS..Hα-helixtrans-64.9-36-179.966.9-80.1-174.900113N60 Q66N60-E62 VanDerWaalsContact C-N 3.3Å; N60-E62 WeakPolarHBondContact CB-OE1 3.3Å; N60-E62 WeakPolarHBondContact CB-OE2 3.28Å; N60-E62 PolarHBondContact ND2-OE1 3.09Å; N60-E62 PolarHBondContact O-N 2.8Å; E62-Q66 VanDerWaalsContact O-CB 3.28Å; E62-Q66 WeakPolarHBondContact O-CB 3.3Å; E62-Q66 PolarHBondContact O-N 3.32Å
63F96.7Very high96Very high104 Ų10459.2 Ų59.246%0.45630%0.299SS..Hα-helixtrans-71.9-40.1177-73.5-71.3000111.1N60 D61 R67N60-F63 HydrophobicContact CB-CD2 4.07Å; N60-F63 PolarHBondContact O-N 3.03Å; N60-F63 VanDerWaalsContact O-N 3.13Å; D61-F63 VanDerWaalsContact C-N 3.35Å; D61-F63 PolarHBondContact O-N 2.95Å; F63-R67 WeakPolarHBondContact O-CB 3.25Å; F63-R67 VanDerWaalsContact O-CG 3.25Å; F63-R67 WeakPolarHBondContact O-CG 3.47Å; F63-R67 PolarHBondContact O-N 2.95Å
64I96.7Very high95.8Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-65.1-48.2176.1-66.9164.2000109.8I52 N55 L59 N60 D61 Q66 R67 V68 I148 L157 L159I52-I64 HydrophobicContact CD1-CB 4.43Å; I52-I64 HydrophobicContact CD1-CG2 4.44Å; N55-I64 WeakPolarHBondContact ND2-CD1 3.4Å; L59-I64 HydrophobicContact CB-CD1 4.08Å; L59-I64 HydrophobicContact CB-CG1 3.83Å; L59-I64 HydrophobicContact CD1-CG1 4.39Å; N60-I64 PolarHBondContact O-N 3.01Å; N60-I64 VanDerWaalsContact O-N 3.16Å; D61-I64 PolarHBondContact O-N 2.93Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 3.31Å; I64-R67 PolarHBondContact O-N 3.01Å; I64-V68 HydrophobicContact CG2-CG2 4.21Å; I64-V68 WeakPolarHBondContact O-CB 3.23Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.44Å; I64-V68 PolarHBondContact O-N 3.29Å; I64-I148 HydrophobicContact CG2-CG2 4.38Å; I64-L157 HydrophobicContact CD1-CD1 3.98Å; I64-L157 HydrophobicContact CG2-CD1 4.45Å; I64-L157 HydrophobicContact CG2-CD2 4.3Å; I64-L159 HydrophobicContact CG2-CD2 3.69Å
65A96.9Very high95.6Very high31 Ų3153.2 Ų53.226%0.25627%0.271SS..Hα-helixtrans-59.3-4317800000111.9V50 D61 G69V50-A65 HydrophobicContact CB-CB 4.1Å; V50-A65 HydrophobicContact CG1-CB 4.36Å; V50-A65 HydrophobicContact CG2-CB 4.35Å; D61-A65 VanDerWaalsContact O-CB 3.29Å; D61-A65 WeakPolarHBondContact O-CB 3.31Å; D61-A65 PolarHBondContact O-N 2.8Å; A65-G69 PolarHBondContact O-N 3.47Å
66Q96.6Very high95.2Very high117 Ų11753.6 Ų53.655%0.54727%0.274SS..Hα-helixtrans-61.8-46.6175.3-174.3-169.511.500111.8E62 I64 G69 L70E62-Q66 VanDerWaalsContact O-CB 3.28Å; E62-Q66 WeakPolarHBondContact O-CB 3.3Å; E62-Q66 PolarHBondContact O-N 3.32Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 3.31Å; Q66-G69 PolarHBondContact O-N 3.47Å; Q66-L70 HydrophobicContact CG-CD1 4.21Å; Q66-L70 WeakPolarHBondContact O-CG 3.27Å; Q66-L70 PolarHBondContact O-N 2.95Å; Q66-L70 VanDerWaalsContact O-N 3.15Å
67R96.2Very high94.8Very high96 Ų9655.2 Ų55.236%0.36228%0.282SS..Hα-helixtrans-64.4-46.7-179.4-72.6177.977.7151.13.8111.7F63 I64 G69 L70 I71 L147 I148F63-R67 WeakPolarHBondContact O-CB 3.25Å; F63-R67 VanDerWaalsContact O-CG 3.25Å; F63-R67 WeakPolarHBondContact O-CG 3.47Å; F63-R67 PolarHBondContact O-N 2.95Å; I64-R67 PolarHBondContact O-N 3.01Å; R67-G69 VanDerWaalsContact C-N 3.28Å; R67-G69 PolarHBondContact O-N 3.01Å; R67-L70 PolarHBondContact O-N 3.26Å; R67-I71 PolarHBondContact O-N 2.79Å; R67-L147 PolarHBondContact NE-O 2.89Å; R67-L147 PolarHBondContact NH2-O 3.27Å; R67-I148 WeakPolarHBondContact CD-O 3.47Å; R67-I148 PolarHBondContact NE-O 3.46Å; R67-I148 PolarHBondContact NH1-O 3.4Å; R67-I148 VanDerWaalsContact NH1-O 3.11Å; R67-I148 PolarHBondContact NH2-O 2.94Å
68V96.1Very high94.5Very high0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-61.6-40175.7174.80000110.3I47 V50 I64 L70 I71 I148 L159 A161I47-V68 HydrophobicContact CB-CG1 4.48Å; I47-V68 HydrophobicContact CD1-CG1 3.52Å; I47-V68 HydrophobicContact CG2-CG1 4.05Å; V50-V68 HydrophobicContact CG2-CG1 4.34Å; I64-V68 HydrophobicContact CG2-CG2 4.21Å; I64-V68 WeakPolarHBondContact O-CB 3.23Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.44Å; I64-V68 PolarHBondContact O-N 3.29Å; V68-L70 PolarHBondContact O-N 3.1Å; V68-I71 PolarHBondContact O-N 2.83Å; V68-I148 HydrophobicContact CG2-CD1 4.13Å; V68-I148 HydrophobicContact CG2-CG1 4.44Å; V68-I148 HydrophobicContact CG2-CG2 4Å; V68-L159 HydrophobicContact CG2-CD2 4.29Å; V68-A161 HydrophobicContact CG1-CB 4.26Å
69G96.3Very high94.4Very high9 Ų948.1 Ų48.19%0.09325%0.248CC..Hα-helixtrans-62.6-23.2176.500000115.4I47 A65 Q66 R67 K173I47-G69 WeakPolarHBondContact O-CA 3.47Å; A65-G69 PolarHBondContact O-N 3.47Å; Q66-G69 PolarHBondContact O-N 3.47Å; R67-G69 VanDerWaalsContact C-N 3.28Å; R67-G69 PolarHBondContact O-N 3.01Å; G69-K173 WeakPolarHBondContact O-CB 3.47Å
70L95.6Very high94.1Very high91 Ų9151.2 Ų51.248%0.47626%0.264SS..THydrogen-bonded Turntrans-990.9-179.3-68.9173.8000113.6Q66 R67 V68 P72 K173Q66-L70 HydrophobicContact CG-CD1 4.21Å; Q66-L70 WeakPolarHBondContact O-CG 3.27Å; Q66-L70 PolarHBondContact O-N 2.95Å; Q66-L70 VanDerWaalsContact O-N 3.15Å; R67-L70 PolarHBondContact O-N 3.26Å; V68-L70 PolarHBondContact O-N 3.1Å; L70-P72 VanDerWaalsContact O-CD 3.31Å; L70-P72 WeakPolarHBondContact O-CD 3.48Å; L70-K173 HydrophobicContact CD2-CB 3.99Å
71I94.8Very high93.8Very high2 Ų255 Ų551%0.0128%0.276CS..SBendtrans-73.6118.2173.7-67.9171.5000108.5R67 V68 L120 P129 I146 I148R67-I71 PolarHBondContact O-N 2.79Å; V68-I71 PolarHBondContact O-N 2.83Å; I71-L120 HydrophobicContact CD1-CD1 3.91Å; I71-P129 HydrophobicContact CG2-CB 3.88Å; I71-I146 HydrophobicContact CG1-CB 4.38Å; I71-I146 HydrophobicContact CG1-CG2 4.1Å; I71-I146 HydrophobicContact CG2-CD1 4.31Å; I71-I148 HydrophobicContact CD1-CD1 3.85Å; I71-I148 HydrophobicContact CD1-CG1 3.76Å
72P94.3Very high93.5Very high30 Ų3051.7 Ų51.720%0.19526%0.258CS..  trans-65.5140.2174.526.9-32.4000110.4L70 V130 I146L70-P72 VanDerWaalsContact O-CD 3.31Å; L70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-V130 HydrophobicContact CB-CB 4.42Å; P72-V130 HydrophobicContact CB-CG2 3.94Å; P72-V130 HydrophobicContact CG-CB 4.04Å; P72-V130 HydrophobicContact CG-CG2 4.12Å; P72-V130 WeakPolarHBondContact O-CG2 3.32Å; P72-V130 PolarHBondContact O-N 3.42Å; P72-I146 HydrophobicContact CG-CD1 4.06Å
73L95Very high93.4Very high0 Ų048.9 Ų48.90%025%0.249CC..BIsolated β-bridgetrans-112.7135.8176.6-58.5178.2000109.5I47 C75 L101 V127 Q128 P129 A163 S236I47-L73 HydrophobicContact CG1-CD1 4.03Å; L73-C75 PolarHBondContact O-N 3.2Å; L73-L101 HydrophobicContact CD1-CD1 4.2Å; L73-L101 HydrophobicContact CD2-CD2 4Å; L73-V127 HydrophobicContact CB-CG1 3.97Å; L73-V127 HydrophobicContact CD1-CG1 3.91Å; L73-V127 HydrophobicContact CG-CG1 4.45Å; L73-Q128 CarbonylContact C-O 3.58Å; L73-Q128 WeakPolarHBondContact CA-O 3.29Å; L73-P129 HydrophobicContact CD2-CB 4.42Å; L73-P129 HydrophobicContact CD2-CG 4.06Å; L73-A163 HydrophobicContact CD1-CB 3.52Å; L73-S236 VanDerWaalsContact O-CA 3.23Å; L73-S236 WeakPolarHBondContact O-CA 3.39Å; L73-S236 WeakPolarHBondContact O-CB 3.28Å
74T93.4Very high93.3Very high39 Ų3946 Ų4624%0.23924%0.235CC..  trans-62134.1167.858.40000109V127 Q128 V130 S236T74-V127 VanDerWaalsContact O-CA 3.29Å; T74-V127 WeakPolarHBondContact O-CA 3.49Å; T74-Q128 PolarHBondContact N-O 2.82Å; T74-Q128 PolarHBondContact OG1-N 3.46Å; T74-Q128 PolarHBondContact OG1-O 3.06Å; T74-Q128 VanDerWaalsContact OG1-O 3.12Å; T74-V130 HydrophobicContact CG2-CG2 3.86Å; T74-S236 CarbonylContact C-O 3.53Å; T74-S236 WeakPolarHBondContact CA-O 3.4Å
75C92Very high93Very high0 Ų049.5 Ų49.50%025%0.251CS..  trans-15315.9-178.262.50000115.5T44 L45 L73 N77 V78 V79 S236T44-C75 PolarHBondContact OG1-SG 3.01Å; T44-C75 VanDerWaalsContact OG1-SG 3.4Å; L45-C75 HydrophobicContact CB-CB 3.94Å; L45-C75 HydrophobicContact CD1-CB 3.62Å; L45-C75 HydrophobicContact CG-CB 3.7Å; L73-C75 PolarHBondContact O-N 3.2Å; C75-N77 VanDerWaalsContact C-N 3.27Å; C75-N77 PolarHBondContact O-N 3.15Å; C75-N77 VanDerWaalsContact O-N 3.13Å; C75-V78 PolarHBondContact O-N 3.26Å; C75-V79 HydrophobicContact CB-CB 4.38Å; C75-V79 PolarHBondContact O-N 3.3Å; C75-S236 PolarHBondContact N-O 3.4Å
76D89.1Confident92.7Very high46 Ų4657.2 Ų57.225%0.24627%0.274CS..THydrogen-bonded Turntrans-48.4-44.2-176.3-71.7-81.8000114L237 Q238D76-L237 HydrophobicContact CB-CD2 4.42Å; D76-L237 WeakPolarHBondContact OD1-CA 3.35Å; D76-Q238 WeakPolarHBondContact OD1-CB 3.39Å; D76-Q238 WeakPolarHBondContact OD1-CG 3.49Å; D76-Q238 PolarHBondContact OD1-N 3.38Å
77N87.3Confident92.5Very high105 Ų10558.4 Ų58.456%0.56128%0.279SS*.THydrogen-bonded Turntrans-90.9-4.7-174.9-67.5-33000114.5C75 K81C75-N77 VanDerWaalsContact C-N 3.27Å; C75-N77 PolarHBondContact O-N 3.15Å; C75-N77 VanDerWaalsContact O-N 3.13Å; N77-K81 WeakPolarHBondContact O-CD 3.21Å; N77-K81 WeakPolarHBondContact O-CE 3.35Å; N77-K81 PolarHBondContact O-NZ 3.28Å
78V89.5Confident92.3Very high16 Ų1654.5 Ų54.510%0.09727%0.266CS..THydrogen-bonded Turntrans-116.2-39.1-169.1-178.40000111.5L45 C75 D80 K81 M82 D126 V127L45-V78 HydrophobicContact CD1-CB 4.48Å; L45-V78 HydrophobicContact CD1-CG1 4.1Å; C75-V78 PolarHBondContact O-N 3.26Å; V78-D80 VanDerWaalsContact C-N 3.28Å; V78-D80 PolarHBondContact O-N 3.2Å; V78-K81 PolarHBondContact O-N 3.44Å; V78-M82 HydrophobicContact CG1-SD 4.12Å; V78-M82 WeakPolarHBondContact O-CB 3.41Å; V78-M82 PolarHBondContact O-N 3.46Å; V78-D126 HydrophobicContact CG2-CB 3.42Å; V78-D126 VanDerWaalsContact CG2-CB 3.42Å; V78-V127 HydrophobicContact CB-CG2 4.09Å; V78-V127 HydrophobicContact CG1-CG2 4.08Å; V78-V127 HydrophobicContact CG2-CG2 3.88Å
79V90.3Very high92.1Very high1 Ų160.6 Ų60.61%0.00631%0.306CS..THydrogen-bonded Turntrans-56.5-40.2-170.469.20000113P43 C75 K165 L237P43-V79 HydrophobicContact CB-CG2 3.92Å; P43-V79 HydrophobicContact CG-CG2 4.25Å; P43-V79 WeakPolarHBondContact O-CG2 3.45Å; C75-V79 HydrophobicContact CB-CB 4.38Å; C75-V79 PolarHBondContact O-N 3.3Å; V79-K165 HydrophobicContact CG2-CD 4.45Å; V79-K165 HydrophobicContact CG2-CG 4.39Å; V79-K165 WeakPolarHBondContact O-CD 3.43Å; V79-K165 VanDerWaalsContact O-CE 3.27Å; V79-K165 WeakPolarHBondContact O-CE 3.38Å; V79-K165 PolarHBondContact O-NZ 2.93Å; V79-L237 HydrophobicContact CG1-CD2 4.03Å
80D88.7Confident91.9Very high111 Ų11162.2 Ų62.259%0.59432%0.315SS*.THydrogen-bonded Turntrans-74-30.6-178.6-74.5-28.6000113.3V78V78-D80 VanDerWaalsContact C-N 3.28Å; V78-D80 PolarHBondContact O-N 3.2Å
81K90.2Very high91.5Very high167 Ų16769.8 Ų69.873%0.72634%0.338SS*.THydrogen-bonded Turntrans-80.4-22.6179.6-61.4172.7-172.7150.90112.3N77 V78N77-K81 WeakPolarHBondContact O-CD 3.21Å; N77-K81 WeakPolarHBondContact O-CE 3.35Å; N77-K81 PolarHBondContact O-NZ 3.28Å; V78-K81 PolarHBondContact O-N 3.44Å
82M92.3Very high91.1Very high9 Ų977 Ų774%0.04437%0.371CS..SBendtrans-84.8138-175.3-162.3167.5-17900111.1L45 V78 Q96 C97 V99 K165L45-M82 HydrophobicContact CD1-SD 3.92Å; L45-M82 HydrophobicContact CD2-CE 4.04Å; L45-M82 HydrophobicContact CD2-SD 3.39Å; L45-M82 WeakPolarHBondContact CD2-SD 3.48Å; L45-M82 HydrophobicContact CG-SD 4.3Å; V78-M82 HydrophobicContact CG1-SD 4.12Å; V78-M82 WeakPolarHBondContact O-CB 3.41Å; V78-M82 PolarHBondContact O-N 3.46Å; M82-Q96 VanDerWaalsContact CG-O 3.31Å; M82-Q96 WeakPolarHBondContact CG-O 3.46Å; M82-C97 VanDerWaalsContact CE-O 3.23Å; M82-C97 WeakPolarHBondContact CE-O 3.37Å; M82-V99 HydrophobicContact CE-CG2 4.06Å; M82-K165 HydrophobicContact CB-CD 4.38Å; M82-K165 WeakPolarHBondContact O-CD 3.46Å; M82-K165 PolarHBondContact O-NZ 3.26Å
83T93.2Very high90.9Very high53 Ų5378.6 Ų78.633%0.32538%0.375SS..PPolyproline II helixtrans-84154.5176.557.20000110.7Q96T83-Q96 PolarHBondContact N-O 3.06Å; T83-Q96 PolarHBondContact OG1-O 3.17Å
84Y94.1Very high90.7Very high42 Ų4280.3 Ų80.317%0.16539%0.387CS..PPolyproline II helixtrans-66.9140.9169.6-72.2-80.7000109.5R86 E87 C88 K165 F167Y84-R86 PolarHBondContact O-N 2.78Å; Y84-R86 VanDerWaalsContact O-N 3.12Å; Y84-E87 PolarHBondContact O-N 3.39Å; Y84-C88 PolarHBondContact O-N 3.11Å; Y84-K165 HydrophobicContact CD1-CB 4.38Å; Y84-K165 HydrophobicContact CD1-CD 4.33Å; Y84-K165 HydrophobicContact CD1-CG 3.99Å; Y84-K165 HydrophobicContact CE1-CD 4.26Å; Y84-K165 HydrophobicContact CE1-CG 3.84Å; Y84-F167 HydrophobicContact CE1-CD1 4.02Å; Y84-F167 HydrophobicContact CE1-CE1 4.43Å
85F91.7Very high90.5Very high74 Ų7487.7 Ų87.733%0.32542%0.419SS..G310 helixtrans-52.6-37.8179.6177.5-98.6000113E87 C88 E92 F93 K164F85-E87 VanDerWaalsContact C-N 3.29Å; F85-E87 PolarHBondContact O-N 2.95Å; F85-C88 PolarHBondContact O-N 2.7Å; F85-E92 VanDerWaalsContact CE2-O 3.25Å; F85-E92 WeakPolarHBondContact CE2-O 3.44Å; F85-F93 HydrophobicContact CD2-CD1 4.28Å; F85-F93 HydrophobicContact CD2-CE1 4.19Å; F85-F93 AromaticContact CE2-CD1 3.72Å; F85-F93 HydrophobicContact CE2-CD1 3.72Å; F85-F93 AromaticContact CE2-CE1 3.5Å; F85-F93 HydrophobicContact CE2-CE1 3.5Å; F85-F93 VanDerWaalsContact CE2-CE1 3.5Å; F85-F93 HydrophobicContact CZ-CE1 4.1Å; F85-K164 HydrophobicContact CB-CD 4.2Å; F85-K164 HydrophobicContact CD2-CD 4.28Å; F85-K164 HydrophobicContact CG-CD 4.13Å
86R91.2Very high90.5Very high194 Ų19493.9 Ų93.973%0.73245%0.448SS*.G310 helixtrans-70.7-22.2-179.6-58.7-177.4-172.5147.912.8114Y84 E170Y84-R86 PolarHBondContact O-N 2.78Å; Y84-R86 VanDerWaalsContact O-N 3.12Å; R86-E170 IonicContact CZ-OE1 3.62Å; R86-E170 IonicContact CZ-OE2 2.99Å; R86-E170 IonicContact NH1-OE1 3.05Å; R86-E170 PolarHBondContact NH1-OE1 2.91Å; R86-E170 VanDerWaalsContact NH2-CD 3.27Å; R86-E170 IonicContact NH2-OE1 3.14Å; R86-E170 PolarHBondContact NH2-OE1 3.46Å; R86-E170 IonicContact NH2-OE2 3.54Å; R86-E170 PolarHBondContact NH2-OE2 3.11Å; R86-E170 VanDerWaalsContact NH2-OE2 3.08Å
87E91.6Very high90.7Very high141 Ų14191.7 Ų91.766%0.65944%0.436SS*.G310 helixtrans-96.4-10.2-178.8-63.4171.5178.500111.6Y84 F85Y84-E87 PolarHBondContact O-N 3.39Å; F85-E87 VanDerWaalsContact C-N 3.29Å; F85-E87 PolarHBondContact O-N 2.95Å
88C92.4Very high91.1Very high15 Ų1587.3 Ų87.310%0.10141%0.413CS..  trans-79.9133.7-178.7-165.40000110.7Y84 F85 C90 C97Y84-C88 PolarHBondContact O-N 3.11Å; F85-C88 PolarHBondContact O-N 2.7Å; C88-C90 PolarHBondContact O-N 3.5Å; C88-C90 PolarHBondContact SG-SG 3.41Å; C88-C97 HydrophobicContact CB-CB 3.7Å
89P91.6Very high91.4Very high128 Ų12886.9 Ų86.983%0.83141%0.411SS*.  trans-76-1.3179.231.2-36.8000114.1
90C91.2Very high91.6Very high42 Ų4289.8 Ų89.828%0.28442%0.424SS..  trans-71.5153.7-178.469.60000112.3C88 C94C88-C90 PolarHBondContact O-N 3.5Å; C88-C90 PolarHBondContact SG-SG 3.41Å; C90-C94 HydrophobicContact CB-CB 4.17Å
91R87.3Confident92Very high251 Ų25184.5 Ų84.595%0.94740%0.396SS*.SBendtrans-79.4-35178.9-70-174.9176-179.4-1114.1
92E86.2Confident92.4Very high153 Ų15379.1 Ų79.172%0.71538%0.377SS*.SBendtrans-123.9-103.5-176.1-67.3-177.7-179.600109.6F85F85-E92 VanDerWaalsContact CE2-O 3.25Å; F85-E92 WeakPolarHBondContact CE2-O 3.44Å
93F90.4Very high92.6Very high63 Ų6378.8 Ų78.828%0.27638%0.375SS..  trans-131.6135.1-176.7-63.8-52000108.7W49 F85 S98 I162W49-F93 HydrophobicContact CD2-CE2 4.41Å; W49-F93 HydrophobicContact CD2-CZ 4.48Å; W49-F93 HydrophobicContact CE3-CE2 4.41Å; W49-F93 HydrophobicContact CG-CZ 4.37Å; F85-F93 HydrophobicContact CD2-CD1 4.28Å; F85-F93 HydrophobicContact CD2-CE1 4.19Å; F85-F93 AromaticContact CE2-CD1 3.72Å; F85-F93 HydrophobicContact CE2-CD1 3.72Å; F85-F93 AromaticContact CE2-CE1 3.5Å; F85-F93 HydrophobicContact CE2-CE1 3.5Å; F85-F93 VanDerWaalsContact CE2-CE1 3.5Å; F85-F93 HydrophobicContact CZ-CE1 4.1Å; F93-S98 WeakPolarHBondContact CA-OG 3.19Å; F93-S98 VanDerWaalsContact CB-OG 3.27Å; F93-S98 WeakPolarHBondContact CB-OG 3.39Å; F93-I162 HydrophobicContact CD1-CG2 3.87Å; F93-I162 HydrophobicContact CD2-CD1 4.38Å; F93-I162 HydrophobicContact CD2-CG1 4.12Å; F93-I162 HydrophobicContact CD2-CG2 4.41Å; F93-I162 HydrophobicContact CE1-CG2 4.05Å; F93-I162 HydrophobicContact CE2-CG1 4.09Å; F93-I162 HydrophobicContact CG-CG2 4.09Å; F93-I162 HydrophobicContact CZ-CG2 4.36Å
94C91.8Very high92.8Very high37 Ų3780.3 Ų80.325%0.2538%0.382CS..  trans-135.5167.5176.176.60000110.9C90 Q96 C97 S98C90-C94 HydrophobicContact CB-CB 4.17Å; C94-Q96 PolarHBondContact O-N 3.07Å; C94-Q96 VanDerWaalsContact O-N 3.09Å; C94-C97 PolarHBondContact N-SG 2.98Å; C94-C97 VanDerWaalsContact N-SG 3.4Å; C94-C97 PolarHBondContact O-N 3.17Å; C94-C97 VanDerWaalsContact O-N 3.16Å; C94-S98 PolarHBondContact N-OG 3.2Å; C94-S98 PolarHBondContact O-N 2.77Å; C94-S98 PolarHBondContact O-OG 3.45Å
95E88.9Confident92.8Very high194 Ų19478.5 Ų78.591%0.90738%0.375SS*.THydrogen-bonded Turntrans-62.7-17.4-178.2-60.4179.7175.100113.4
96Q91.1Very high92.9Very high130 Ų13077.6 Ų77.661%0.60738%0.377SS*.THydrogen-bonded Turntrans-89.3-16.5179.9-59.2-177.1-46.900114M82 T83 C94M82-Q96 VanDerWaalsContact CG-O 3.31Å; M82-Q96 WeakPolarHBondContact CG-O 3.46Å; T83-Q96 PolarHBondContact N-O 3.06Å; T83-Q96 PolarHBondContact OG1-O 3.17Å; C94-Q96 PolarHBondContact O-N 3.07Å; C94-Q96 VanDerWaalsContact O-N 3.09Å
97C93.8Very high93Very high0 Ų068.4 Ų68.40%034%0.343CS..THydrogen-bonded Turntrans-129.3-12.3-172.473.10000114.5M82 C88 C94M82-C97 VanDerWaalsContact CE-O 3.23Å; M82-C97 WeakPolarHBondContact CE-O 3.37Å; C88-C97 HydrophobicContact CB-CB 3.7Å; C94-C97 PolarHBondContact N-SG 2.98Å; C94-C97 VanDerWaalsContact N-SG 3.4Å; C94-C97 PolarHBondContact O-N 3.17Å; C94-C97 VanDerWaalsContact O-N 3.16Å
98S95Very high93Very high12 Ų1266.9 Ų66.98%0.08434%0.343CS..EExtended strand (participates in β ladder)trans-146.9151.8-17943.50000113.2F93 C94 A163F93-S98 WeakPolarHBondContact CA-OG 3.19Å; F93-S98 VanDerWaalsContact CB-OG 3.27Å; F93-S98 WeakPolarHBondContact CB-OG 3.39Å; C94-S98 PolarHBondContact N-OG 3.2Å; C94-S98 PolarHBondContact O-N 2.77Å; C94-S98 PolarHBondContact O-OG 3.45Å; S98-A163 VanDerWaalsContact CA-O 3.3Å; S98-A163 WeakPolarHBondContact CA-O 3.33Å
99V95.6Very high92.9Very high8 Ų869.8 Ų69.85%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-119.8137168.4176.40000108.5M82 N124 V127 I162 A163M82-V99 HydrophobicContact CE-CG2 4.06Å; V99-N124 HydrophobicContact CG1-CB 3.89Å; V99-N124 HydrophobicContact CG2-CB 4.38Å; V99-V127 HydrophobicContact CG1-CB 4.12Å; V99-V127 HydrophobicContact CG1-CG1 4.17Å; V99-V127 HydrophobicContact CG2-CG2 4.14Å; V99-I162 WeakPolarHBondContact O-CA 3.4Å; V99-A163 HydrophobicContact CB-CB 4.38Å; V99-A163 PolarHBondContact N-O 3.38Å; V99-A163 PolarHBondContact O-N 3.49Å
100E96.3Very high92.9Very high61 Ų6170.4 Ų70.429%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-99.2136.3-178-179.6169.2169.900110.8T102 S123 R160 A161 I162E100-T102 HydrophobicContact CG-CG2 4.32Å; E100-S123 PolarHBondContact N-OG 3.02Å; E100-S123 WeakPolarHBondContact O-CB 3.33Å; E100-S123 PolarHBondContact O-N 2.64Å; E100-S123 PolarHBondContact O-OG 2.8Å; E100-R160 HydrophobicContact CG-CG 4.27Å; E100-R160 WeakPolarHBondContact OE1-CD 3.41Å; E100-R160 WeakPolarHBondContact OE1-CG 3.42Å; E100-R160 IonicContact OE1-CZ 3.49Å; E100-R160 IonicContact OE1-NE 2.68Å; E100-R160 PolarHBondContact OE1-NE 3.09Å; E100-R160 IonicContact OE1-NH2 2.78Å; E100-R160 IonicContact OE2-CZ 2.66Å; E100-R160 IonicContact OE2-NE 2.73Å; E100-R160 PolarHBondContact OE2-NE 3.25Å; E100-R160 IonicContact OE2-NH2 3.55Å; E100-R160 PolarHBondContact OE2-NH2 3.38Å; E100-A161 CarbonylContact C-O 3.54Å; E100-A161 WeakPolarHBondContact CA-O 2.96Å; E100-I162 HydrophobicContact CB-CD1 3.95Å; E100-I162 HydrophobicContact CG-CD1 3.93Å
101L97Very high92.8Very high0 Ų071.1 Ų71.10%037%0.366CS..EExtended strand (participates in β ladder)trans-123.4138171.5-60.494.8000109.1I47 L73 L120 I121 P129 A161 A163I47-L101 HydrophobicContact CD1-CD1 4.18Å; I47-L101 HydrophobicContact CD1-CD2 4.34Å; I47-L101 HydrophobicContact CG1-CD1 4.13Å; L73-L101 HydrophobicContact CD1-CD1 4.2Å; L73-L101 HydrophobicContact CD2-CD2 4Å; L101-L120 HydrophobicContact CB-CD2 4.38Å; L101-L120 HydrophobicContact CD2-CB 4.22Å; L101-I121 CarbonylContact C-O 3.54Å; L101-I121 WeakPolarHBondContact CA-O 3.44Å; L101-P129 HydrophobicContact CD2-CG 4.3Å; L101-A161 HydrophobicContact CB-CB 4.26Å; L101-A161 PolarHBondContact N-O 3.02Å; L101-A161 PolarHBondContact O-N 3.27Å; L101-A163 HydrophobicContact CD1-CB 3.9Å
102T97.4Very high92.9Very high55 Ų5563.4 Ų63.434%0.33735%0.348SS..EExtended strand (participates in β ladder)trans-122.5147.5179.358.70000110.7E100 I121E100-T102 HydrophobicContact CG-CG2 4.32Å; T102-I121 PolarHBondContact N-O 3.22Å; T102-I121 PolarHBondContact O-N 2.95Å; T102-I121 PolarHBondContact OG1-O 3.43Å
103L96.6Very high93.2Very high1 Ų160.4 Ų60.41%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-138.2120.2176.6-179.372.4000107.7V105 V115 D119 L120 L157 K158 L159L103-V105 HydrophobicContact CD1-CG2 3.75Å; L103-V105 HydrophobicContact CG-CG2 4.29Å; L103-V115 HydrophobicContact CD1-CG1 3.98Å; L103-V115 HydrophobicContact CD2-CG1 4.02Å; L103-D119 HydrophobicContact CD1-CB 3.43Å; L103-D119 VanDerWaalsContact CD1-CB 3.43Å; L103-D119 VanDerWaalsContact CD1-O 3.29Å; L103-D119 WeakPolarHBondContact CD1-O 3.14Å; L103-L120 HydrophobicContact CB-CD2 3.96Å; L103-L157 HydrophobicContact CD2-CD2 3.77Å; L103-L157 HydrophobicContact CD2-CG 4.15Å; L103-K158 CarbonylContact O-C 3.59Å; L103-K158 VanDerWaalsContact O-CA 3.26Å; L103-K158 WeakPolarHBondContact O-CA 3.18Å; L103-L159 HydrophobicContact CB-CD1 3.78Å; L103-L159 HydrophobicContact CB-CG 3.94Å; L103-L159 HydrophobicContact CD2-CD1 4.29Å; L103-L159 HydrophobicContact CD2-CD2 4.03Å; L103-L159 HydrophobicContact CD2-CG 3.99Å; L103-L159 PolarHBondContact N-O 2.96Å; L103-L159 PolarHBondContact O-N 2.57Å
104D96.8Very high93.3Very high85 Ų8561.6 Ų61.646%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-134.7102.6170.8-168.2-7.8000108.6R156 K158D104-R156 IonicContact OD1-CZ 2.57Å; D104-R156 IonicContact OD1-NE 2.64Å; D104-R156 PolarHBondContact OD1-NE 3.25Å; D104-R156 VanDerWaalsContact OD1-NE 3.14Å; D104-R156 IonicContact OD1-NH2 3Å; D104-R156 PolarHBondContact OD1-NH2 3.23Å; D104-R156 IonicContact OD2-NH2 3.66Å; D104-R156 PolarHBondContact OD2-NH2 3.46Å; D104-K158 HydrophobicContact CB-CG 4.05Å; D104-K158 WeakPolarHBondContact OD2-CE 3.23Å
105V95.4Very high93.4Very high5 Ų559.9 Ų59.93%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-128.6127.7-174.4172.30000109.9L103 R113 V115 D119 M151 R156 L157L103-V105 HydrophobicContact CD1-CG2 3.75Å; L103-V105 HydrophobicContact CG-CG2 4.29Å; V105-R113 VanDerWaalsContact CG1-NE 3.34Å; V105-V115 HydrophobicContact CB-CG2 4.25Å; V105-V115 HydrophobicContact CG1-CG2 3.65Å; V105-V115 HydrophobicContact CG2-CG1 4.43Å; V105-D119 HydrophobicContact CG2-CB 4.13Å; V105-M151 HydrophobicContact CG1-CE 4.49Å; V105-M151 HydrophobicContact CG1-SD 4.09Å; V105-R156 CarbonylContact O-C 3.58Å; V105-R156 VanDerWaalsContact O-CA 3.29Å; V105-R156 WeakPolarHBondContact O-CA 3.27Å; V105-R156 WeakPolarHBondContact O-CG 3.46Å; V105-L157 PolarHBondContact N-O 2.79Å; V105-L157 PolarHBondContact O-N 3.37Å
106C94.1Very high93.6Very high54 Ų5451.8 Ų51.837%0.36529%0.289SS..EExtended strand (participates in β ladder)trans-121.3137.1171.5-174.10000110.4R113 R156C106-R113 PolarHBondContact O-NH1 3Å; C106-R156 HydrophobicContact CB-CG 4.35Å
107C92.3Very high93.6Very high1 Ų145.6 Ų45.61%0.00726%0.26CS..  trans-98.799.9176-174.20000109.7R113 M151 R152 K153 G154 Q155C107-R113 HydrophobicContact CB-CB 4.18Å; C107-M151 HydrophobicContact CB-CB 4.15Å; C107-M151 HydrophobicContact CB-CE 4.39Å; C107-R152 WeakPolarHBondContact CB-O 3.49Å; C107-K153 CarbonylContact O-C 3.37Å; C107-K153 WeakPolarHBondContact O-CA 3.44Å; C107-G154 PolarHBondContact O-N 3.06Å; C107-Q155 PolarHBondContact N-O 3.47Å
108T92.1Very high93.4Very high109 Ų10949.3 Ų49.367%0.66929%0.291SS*.  trans-94.5-22.7179.354.20000113.1
109T90.6Very high93.3Very high77 Ų7750.7 Ų50.747%0.47230%0.297SS..SBendtrans-81.1155.5179.854.40000111.6A111 K153T109-A111 VanDerWaalsContact C-N 3.28Å; T109-A111 PolarHBondContact OG1-O 3.32Å; T109-K153 VanDerWaalsContact O-CB 3.3Å; T109-K153 WeakPolarHBondContact O-CB 3.02Å
110D90.2Very high93.3Very high140 Ų14050.6 Ų50.675%0.74930%0.296SS*.SBendtrans-74.7-21.8174.8-154.338.5000112.8K153D110-K153 HydrophobicContact CB-CD 4.43Å
111A90.7Very high93.2Very high58 Ų5853.1 Ų53.148%0.47931%0.311SS..SBendtrans-68.3144.2173.400000111.5T109 R113T109-A111 VanDerWaalsContact C-N 3.28Å; T109-A111 PolarHBondContact OG1-O 3.32Å; A111-R113 PolarHBondContact O-N 2.96Å
112P89.4Confident93.1Very high88 Ų8854 Ų5457%0.57132%0.316SS*.PPolyproline II helixtrans-62.4131.9175.827-33.8000110.5M151P112-M151 WeakPolarHBondContact CA-O 3.38Å
113R91.8Very high92.9Very high90 Ų9055.6 Ų55.634%0.3433%0.33SS..EExtended strand (participates in β ladder)trans-100.3124.6174.1-175.4171.9-179.3172.2-0.8109.5V105 C106 C107 A111 D119 M151V105-R113 VanDerWaalsContact CG1-NE 3.34Å; C106-R113 PolarHBondContact O-NH1 3Å; C107-R113 HydrophobicContact CB-CB 4.18Å; A111-R113 PolarHBondContact O-N 2.96Å; R113-D119 IonicContact NH2-OD1 3.25Å; R113-M151 HydrophobicContact CB-CB 4.49Å; R113-M151 PolarHBondContact N-O 3.12Å; R113-M151 PolarHBondContact O-N 3.5Å
114H92.8Very high92.7Very high89 Ų8957.8 Ų57.841%0.41234%0.342SS..EExtended strand (participates in β ladder)trans-92117.6173.5-63.5-29.8000108.7L147 K150H114-L147 HydrophobicContact CB-CD1 3.79Å; H114-K150 WeakPolarHBondContact ND1-CG 3.42Å
115V93.4Very high92.3Very high0 Ų064.6 Ų64.60%036%0.361CS..EExtended strand (participates in β ladder)trans-93.6124.1174.1-178.10000108.2L103 V105 D119 L147 I148 V149 M151L103-V115 HydrophobicContact CD1-CG1 3.98Å; L103-V115 HydrophobicContact CD2-CG1 4.02Å; V105-V115 HydrophobicContact CB-CG2 4.25Å; V105-V115 HydrophobicContact CG1-CG2 3.65Å; V105-V115 HydrophobicContact CG2-CG1 4.43Å; V115-D119 WeakPolarHBondContact CA-OD2 3.37Å; V115-D119 HydrophobicContact CG1-CB 4.18Å; V115-L147 WeakPolarHBondContact O-CD1 3.29Å; V115-I148 HydrophobicContact CG1-CD1 4.47Å; V115-I148 PolarHBondContact O-N 3.02Å; V115-V149 HydrophobicContact CB-CG1 3.89Å; V115-V149 HydrophobicContact CG2-CG1 4.17Å; V115-V149 PolarHBondContact N-O 3.3Å; V115-V149 PolarHBondContact O-N 3.05Å; V115-M151 HydrophobicContact CG2-CG 4.15Å; V115-M151 HydrophobicContact CG2-SD 3.3Å; V115-M151 WeakPolarHBondContact CG2-SD 3.43Å
116T93Very high92Very high25 Ų2568.2 Ų68.215%0.15338%0.38CS..EExtended strand (participates in β ladder)trans-126175.2-172.365.70000111.2A118 D119 S145 I146 L147T116-A118 PolarHBondContact O-N 3.41Å; T116-A118 PolarHBondContact OG1-N 2.72Å; T116-D119 PolarHBondContact N-OD2 2.67Å; T116-D119 WeakPolarHBondContact O-CB 3.28Å; T116-D119 PolarHBondContact O-N 3.19Å; T116-D119 PolarHBondContact OG1-OD2 2.95Å; T116-S145 WeakPolarHBondContact CG2-O 3.36Å; T116-I146 CarbonylContact C-O 3.55Å; T116-I146 WeakPolarHBondContact CA-O 3.46Å; T116-L147 HydrophobicContact CG2-CD1 4.31Å
117G91.1Very high92Very high0 Ų065.6 Ų65.60%036%0.363CS..G310 helixtrans-55.9-28.7172.200000113.1D119 L120 P129 S145 I146G117-D119 PolarHBondContact O-N 3.2Å; G117-L120 WeakPolarHBondContact O-CB 3.46Å; G117-L120 PolarHBondContact O-N 2.96Å; G117-L120 VanDerWaalsContact O-N 3.1Å; G117-P129 WeakPolarHBondContact O-CG 3.31Å; G117-S145 WeakPolarHBondContact CA-OG 3.3Å; G117-S145 PolarHBondContact N-OG 3.49Å; G117-I146 PolarHBondContact N-O 3.33Å
118A90.3Very high92Very high78 Ų7869 Ų6965%0.64538%0.378SS*.G310 helixtrans-68.5-19177.600000113.7T116 L120 S145T116-A118 PolarHBondContact O-N 3.41Å; T116-A118 PolarHBondContact OG1-N 2.72Å; A118-L120 VanDerWaalsContact C-N 3.29Å; A118-S145 PolarHBondContact N-OG 3Å
119D93.3Very high92.1Very high41 Ų4164.5 Ų64.522%0.21935%0.351CS..G310 helixtrans-79.4-12174.1-62.9-82.5000112.3L103 V105 R113 V115 T116 G117 I121L103-D119 HydrophobicContact CD1-CB 3.43Å; L103-D119 VanDerWaalsContact CD1-CB 3.43Å; L103-D119 VanDerWaalsContact CD1-O 3.29Å; L103-D119 WeakPolarHBondContact CD1-O 3.14Å; V105-D119 HydrophobicContact CG2-CB 4.13Å; R113-D119 IonicContact NH2-OD1 3.25Å; V115-D119 WeakPolarHBondContact CA-OD2 3.37Å; V115-D119 HydrophobicContact CG1-CB 4.18Å; T116-D119 PolarHBondContact N-OD2 2.67Å; T116-D119 WeakPolarHBondContact O-CB 3.28Å; T116-D119 PolarHBondContact O-N 3.19Å; T116-D119 PolarHBondContact OG1-OD2 2.95Å; G117-D119 PolarHBondContact O-N 3.2Å; D119-I121 PolarHBondContact O-N 3.39Å
120L94.8Very high92Very high5 Ų561.7 Ų61.73%0.02633%0.334CS..  trans-75.8121.3175.2-71.6162000110.3I47 I71 L101 L103 G117 A118 P129 I148 L159I47-L120 HydrophobicContact CD1-CD1 4.45Å; I71-L120 HydrophobicContact CD1-CD1 3.91Å; L101-L120 HydrophobicContact CB-CD2 4.38Å; L101-L120 HydrophobicContact CD2-CB 4.22Å; L103-L120 HydrophobicContact CB-CD2 3.96Å; G117-L120 WeakPolarHBondContact O-CB 3.46Å; G117-L120 PolarHBondContact O-N 2.96Å; G117-L120 VanDerWaalsContact O-N 3.1Å; A118-L120 VanDerWaalsContact C-N 3.29Å; L120-P129 HydrophobicContact CB-CG 4.01Å; L120-P129 HydrophobicContact CD1-CG 4.14Å; L120-I148 HydrophobicContact CD1-CD1 4.25Å; L120-I148 HydrophobicContact CG-CD1 4.41Å; L120-L159 HydrophobicContact CD2-CD1 4.37Å
121I95Very high91.4Very high115 Ų11558 Ų5859%0.5932%0.317SS*.EExtended strand (participates in β ladder)trans-96.3109177.2-57172.7000108.4L101 T102 D119L101-I121 CarbonylContact C-O 3.54Å; L101-I121 WeakPolarHBondContact CA-O 3.44Å; T102-I121 PolarHBondContact N-O 3.22Å; T102-I121 PolarHBondContact O-N 2.95Å; T102-I121 PolarHBondContact OG1-O 3.43Å; D119-I121 PolarHBondContact O-N 3.39Å
122S94.6Very high90.1Very high17 Ų1758.6 Ų58.612%0.11932%0.318CS..EExtended strand (participates in β ladder)trans-82.7142.9175.8179.80000112.4N124 V127S122-N124 VanDerWaalsContact C-N 3.25Å; S122-N124 PolarHBondContact O-N 3.29Å; S122-N124 PolarHBondContact OG-N 3.12Å; S122-N124 PolarHBondContact OG-O 3.07Å; S122-V127 WeakPolarHBondContact CB-O 3.31Å; S122-V127 PolarHBondContact OG-O 2.8Å
123S93.3Very high88.6Confident89 Ų8958.6 Ų58.662%0.62231%0.307SS*.SBendtrans-69.5-23.7173.170.50000112.7E100E100-S123 PolarHBondContact N-OG 3.02Å; E100-S123 WeakPolarHBondContact O-CB 3.33Å; E100-S123 PolarHBondContact O-N 2.64Å; E100-S123 PolarHBondContact O-OG 2.8Å
124N91Very high86.7Confident48 Ų4859.1 Ų59.126%0.25732%0.316SS..SBendtrans-113.2127.8-180-170.6-15.8000110.9V99 S122 D126 V127 Q128V99-N124 HydrophobicContact CG1-CB 3.89Å; V99-N124 HydrophobicContact CG2-CB 4.38Å; S122-N124 VanDerWaalsContact C-N 3.25Å; S122-N124 PolarHBondContact O-N 3.29Å; S122-N124 PolarHBondContact OG-N 3.12Å; S122-N124 PolarHBondContact OG-O 3.07Å; N124-D126 VanDerWaalsContact C-N 3.28Å; N124-D126 PolarHBondContact O-N 3.11Å; N124-D126 PolarHBondContact OD1-N 3.05Å; N124-V127 HydrophobicContact CB-CB 4.33Å; N124-V127 HydrophobicContact CB-CG2 4.36Å; N124-V127 CarbonylContact O-C 3.58Å; N124-V127 PolarHBondContact O-N 3.22Å; N124-Q128 PolarHBondContact O-NE2 3.01Å; N124-Q128 VanDerWaalsContact O-NE2 3.09Å
125R89Confident84.7Confident228 Ų22858.8 Ų58.886%0.8633%0.329SS*.THydrogen-bonded Turntrans-65.9-29.8179-65.2-175.9-179.5-170.4-0113.2V127 Q128R125-V127 PolarHBondContact O-N 3.04Å; R125-Q128 WeakPolarHBondContact O-CG 3.36Å
126D89.9Confident82.8Confident80 Ų8066.1 Ų66.143%0.42837%0.368SS..THydrogen-bonded Turntrans-79.3-9.5179-66.7-33.7000112.8V78 N124V78-D126 HydrophobicContact CG2-CB 3.42Å; V78-D126 VanDerWaalsContact CG2-CB 3.42Å; N124-D126 VanDerWaalsContact C-N 3.28Å; N124-D126 PolarHBondContact O-N 3.11Å; N124-D126 PolarHBondContact OD1-N 3.05Å
127V93.3Very high80.9Confident0 Ų069.9 Ų69.90%038%0.384CS..  trans-11999.4178.9-176.60000109.4L45 L73 T74 V78 V99 S122 N124 R125L45-V127 HydrophobicContact CD1-CG1 4.16Å; L45-V127 HydrophobicContact CD1-CG2 3.73Å; L73-V127 HydrophobicContact CB-CG1 3.97Å; L73-V127 HydrophobicContact CD1-CG1 3.91Å; L73-V127 HydrophobicContact CG-CG1 4.45Å; T74-V127 VanDerWaalsContact O-CA 3.29Å; T74-V127 WeakPolarHBondContact O-CA 3.49Å; V78-V127 HydrophobicContact CB-CG2 4.09Å; V78-V127 HydrophobicContact CG1-CG2 4.08Å; V78-V127 HydrophobicContact CG2-CG2 3.88Å; V99-V127 HydrophobicContact CG1-CB 4.12Å; V99-V127 HydrophobicContact CG1-CG1 4.17Å; V99-V127 HydrophobicContact CG2-CG2 4.14Å; S122-V127 WeakPolarHBondContact CB-O 3.31Å; S122-V127 PolarHBondContact OG-O 2.8Å; N124-V127 HydrophobicContact CB-CB 4.33Å; N124-V127 HydrophobicContact CB-CG2 4.36Å; N124-V127 CarbonylContact O-C 3.58Å; N124-V127 PolarHBondContact O-N 3.22Å; R125-V127 PolarHBondContact O-N 3.04Å
128Q92.8Very high78.9Confident71 Ų7175.6 Ų75.633%0.33242%0.424SS..  trans-128148.8-179.1-63.7-64.2-37.600110.1L73 T74 N124 R125 V130L73-Q128 CarbonylContact C-O 3.58Å; L73-Q128 WeakPolarHBondContact CA-O 3.29Å; T74-Q128 PolarHBondContact N-O 2.82Å; T74-Q128 PolarHBondContact OG1-N 3.46Å; T74-Q128 PolarHBondContact OG1-O 3.06Å; T74-Q128 VanDerWaalsContact OG1-O 3.12Å; N124-Q128 PolarHBondContact O-NE2 3.01Å; N124-Q128 VanDerWaalsContact O-NE2 3.09Å; R125-Q128 WeakPolarHBondContact O-CG 3.36Å; Q128-V130 PolarHBondContact O-N 3.36Å
129P93.2Very high77.2Confident15 Ų1575.7 Ų75.710%0.09742%0.42CS..BIsolated β-bridgetrans-53.3129.6167.3-27.338.1000110.9I71 L73 L101 G117 L120I71-P129 HydrophobicContact CG2-CB 3.88Å; L73-P129 HydrophobicContact CD2-CB 4.42Å; L73-P129 HydrophobicContact CD2-CG 4.06Å; L101-P129 HydrophobicContact CD2-CG 4.3Å; G117-P129 WeakPolarHBondContact O-CG 3.31Å; L120-P129 HydrophobicContact CB-CG 4.01Å; L120-P129 HydrophobicContact CD1-CG 4.14Å
130V88.6Confident75Confident18 Ų1881.8 Ų81.811%0.10944%0.441CS..PPolyproline II helixtrans-62.2127.3178.4178.30000108.6P72 T74 Q128 G235P72-V130 HydrophobicContact CB-CB 4.42Å; P72-V130 HydrophobicContact CB-CG2 3.94Å; P72-V130 HydrophobicContact CG-CB 4.04Å; P72-V130 HydrophobicContact CG-CG2 4.12Å; P72-V130 WeakPolarHBondContact O-CG2 3.32Å; P72-V130 PolarHBondContact O-N 3.42Å; T74-V130 HydrophobicContact CG2-CG2 3.86Å; Q128-V130 PolarHBondContact O-N 3.36Å; V130-G235 WeakPolarHBondContact CG2-O 3.19Å
131P79Confident72.7Confident62 Ų6288.3 Ų88.340%0.40348%0.481SS..PPolyproline II helixtrans-68.8147.3172.630.1-33.7000109.4R133P131-R133 VanDerWaalsContact C-N 3.25Å; P131-R133 PolarHBondContact O-N 3.12Å
132S62.7Low70.5Confident71 Ų7185.4 Ų85.450%0.49748%0.479SS..SBendtrans-63.5-29.6-174-163.70000112.9E144S132-E144 WeakPolarHBondContact CB-O 3.5Å; S132-E144 PolarHBondContact OG-O 3.26Å
133R56.9Low68.4Low89 Ų8990.6 Ų90.634%0.33650%0.502SS..SBendtrans-157157.3175.8-56.9-169.8107.9-161-9.1113.4P131 E137 Q143P131-R133 VanDerWaalsContact C-N 3.25Å; P131-R133 PolarHBondContact O-N 3.12Å; R133-E137 IonicContact CZ-OE2 2.93Å; R133-E137 IonicContact NH1-OE2 3.31Å; R133-E137 PolarHBondContact NH1-OE2 2.94Å; R133-E137 IonicContact NH2-OE1 3.07Å; R133-E137 PolarHBondContact NH2-OE1 2.77Å; R133-E137 IonicContact NH2-OE2 2.74Å; R133-E137 PolarHBondContact NH2-OE2 3.03Å; R133-Q143 WeakPolarHBondContact O-CG 3.27Å
134D51.5Low67.1Low100 Ų10093.1 Ų93.154%0.53550%0.503SS..  trans-63.8144.3164.1-79.4-32.1000110.9D136D134-D136 PolarHBondContact O-N 2.9Å
135A51.7Low66.7Low82 Ų8291.5 Ų91.568%0.67850%0.496SS*.THydrogen-bonded Turntrans-61.2-12.6-172.400000115.2
136D53.1Low66.9Low154 Ų15483.5 Ų83.582%0.82447%0.47SS*.THydrogen-bonded Turntrans-85.6-14.5-170.5-69.3-21.6000114.1D134 S138D134-D136 PolarHBondContact O-N 2.9Å; D136-S138 PolarHBondContact O-N 2.79Å; D136-S138 VanDerWaalsContact O-N 3.16Å
137E52.7Low67Low104 Ų10482.3 Ų82.349%0.48646%0.463SS..  trans-86.586.4175.3-81.7-150.3-154.800112.4R133 S139R133-E137 IonicContact CZ-OE2 2.93Å; R133-E137 IonicContact NH1-OE2 3.31Å; R133-E137 PolarHBondContact NH1-OE2 2.94Å; R133-E137 IonicContact NH2-OE1 3.07Å; R133-E137 PolarHBondContact NH2-OE1 2.77Å; R133-E137 IonicContact NH2-OE2 2.74Å; R133-E137 PolarHBondContact NH2-OE2 3.03Å; E137-S139 PolarHBondContact O-N 2.85Å; E137-S139 PolarHBondContact OE2-OG 3.13Å
138S50.2Low67Low121 Ų12182.3 Ų82.385%0.84646%0.463SS*.THydrogen-bonded Turntrans-62.2-1.6176.155.50000116D136D136-S138 PolarHBondContact O-N 2.79Å; D136-S138 VanDerWaalsContact O-N 3.16Å
139S54.3Low67.2Low80 Ų8079.1 Ų79.156%0.55945%0.449SS*.THydrogen-bonded Turntrans-76.8-22.7-176.357.10000113.6E137E137-S139 PolarHBondContact O-N 2.85Å; E137-S139 PolarHBondContact OE2-OG 3.13Å
140Y47.3Very low67.2Low169 Ų16984.6 Ų84.666%0.66347%0.471SS*.SBendtrans-118.5119.3172.1-66.5-91.5000109.2G142Y140-G142 PolarHBondContact O-N 3.06Å
141V45.8Very low67.5Low142 Ų14283.8 Ų83.886%0.86147%0.466SS*.SBendtrans-62105.6-179.6179.10000108.9
142G48.8Very low68.2Low54 Ų5490.2 Ų90.256%0.55748%0.482SS*.SBendtrans97.1133.9169.400000113.7Y140 E144Y140-G142 PolarHBondContact O-N 3.06Å; G142-E144 PolarHBondContact O-N 2.97Å
143Q50.4Low69.7Low125 Ų12592.9 Ų92.958%0.58449%0.485SS*.  trans-64.869.7168.7-146.7178.60.700108.9R133 S145R133-Q143 WeakPolarHBondContact O-CG 3.27Å; Q143-S145 PolarHBondContact O-N 3.35Å
144E66.5Low71.5Confident142 Ų14291.2 Ų91.266%0.66450%0.495SS*.  trans-76.890.2-175.1-73.1-165.916700109S132 G142S132-E144 WeakPolarHBondContact CB-O 3.5Å; S132-E144 PolarHBondContact OG-O 3.26Å; G142-E144 PolarHBondContact O-N 2.97Å
145S83.8Confident73.6Confident14 Ų1487.4 Ų87.410%0.09847%0.474CS..PPolyproline II helixtrans-48.1155.5164.9-174.70000110.9T116 G117 A118 Q143 L147T116-S145 WeakPolarHBondContact CG2-O 3.36Å; G117-S145 WeakPolarHBondContact CA-OG 3.3Å; G117-S145 PolarHBondContact N-OG 3.49Å; A118-S145 PolarHBondContact N-OG 3Å; Q143-S145 PolarHBondContact O-N 3.35Å; S145-L147 PolarHBondContact O-N 2.86Å; S145-L147 VanDerWaalsContact O-N 3.12Å
146I91.4Very high75.7Confident61 Ų6187.6 Ų87.631%0.31346%0.457SS..PPolyproline II helixtrans-58.4118.7-170.9-62.1162.7000110.5I71 P72 T116 G117 I148I71-I146 HydrophobicContact CG1-CB 4.38Å; I71-I146 HydrophobicContact CG1-CG2 4.1Å; I71-I146 HydrophobicContact CG2-CD1 4.31Å; P72-I146 HydrophobicContact CG-CD1 4.06Å; T116-I146 CarbonylContact C-O 3.55Å; T116-I146 WeakPolarHBondContact CA-O 3.46Å; G117-I146 PolarHBondContact N-O 3.33Å; I146-I148 PolarHBondContact O-N 2.92Å
147L93.1Very high77.8Confident55 Ų5580.3 Ų80.329%0.28842%0.418SS..EExtended strand (participates in β ladder)trans-64.9131.6179.1-177.873.5000111.3R67 H114 V115 T116 S145 K150R67-L147 PolarHBondContact NE-O 2.89Å; R67-L147 PolarHBondContact NH2-O 3.27Å; H114-L147 HydrophobicContact CB-CD1 3.79Å; V115-L147 WeakPolarHBondContact O-CD1 3.29Å; T116-L147 HydrophobicContact CG2-CD1 4.31Å; S145-L147 PolarHBondContact O-N 2.86Å; S145-L147 VanDerWaalsContact O-N 3.12Å; L147-K150 HydrophobicContact CD1-CG 4.22Å; L147-K150 HydrophobicContact CD2-CD 4.33Å; L147-K150 HydrophobicContact CD2-CG 3.91Å
148I94.2Very high79.9Confident0 Ų078.4 Ų78.40%041%0.408CS..EExtended strand (participates in β ladder)trans-98.7-54.2172.9-60.5167.5000109.9I64 R67 V68 I71 V115 L120 I146I64-I148 HydrophobicContact CG2-CG2 4.38Å; R67-I148 WeakPolarHBondContact CD-O 3.47Å; R67-I148 PolarHBondContact NE-O 3.46Å; R67-I148 PolarHBondContact NH1-O 3.4Å; R67-I148 VanDerWaalsContact NH1-O 3.11Å; R67-I148 PolarHBondContact NH2-O 2.94Å; V68-I148 HydrophobicContact CG2-CD1 4.13Å; V68-I148 HydrophobicContact CG2-CG1 4.44Å; V68-I148 HydrophobicContact CG2-CG2 4Å; I71-I148 HydrophobicContact CD1-CD1 3.85Å; I71-I148 HydrophobicContact CD1-CG1 3.76Å; V115-I148 HydrophobicContact CG1-CD1 4.47Å; V115-I148 PolarHBondContact O-N 3.02Å; L120-I148 HydrophobicContact CD1-CD1 4.25Å; L120-I148 HydrophobicContact CG-CD1 4.41Å; I146-I148 PolarHBondContact O-N 2.92Å
149V95.1Very high82.2Confident4 Ų472.8 Ų72.82%0.02437%0.369CS..EExtended strand (participates in β ladder)trans-154.3149-177.664.60000111.1T57 L59 V115 M151 L157T57-V149 HydrophobicContact CG2-CG2 4.4Å; L59-V149 HydrophobicContact CD1-CB 3.98Å; L59-V149 HydrophobicContact CD1-CG2 3.73Å; L59-V149 HydrophobicContact CG-CG2 4Å; V115-V149 HydrophobicContact CB-CG1 3.89Å; V115-V149 HydrophobicContact CG2-CG1 4.17Å; V115-V149 PolarHBondContact N-O 3.3Å; V115-V149 PolarHBondContact O-N 3.05Å; V149-M151 HydrophobicContact CG1-CG 4.01Å; V149-M151 HydrophobicContact CG1-SD 4.24Å; V149-L157 HydrophobicContact CG1-CD2 3.84Å
150K94.2Very high84.3Confident130 Ų13072.5 Ų72.557%0.56536%0.355SS*.EExtended strand (participates in β ladder)trans-99122.3170.2-57.5-170.2171.8-176.50108.3H114 L147H114-K150 WeakPolarHBondContact ND1-CG 3.42Å; L147-K150 HydrophobicContact CD1-CG 4.22Å; L147-K150 HydrophobicContact CD2-CD 4.33Å; L147-K150 HydrophobicContact CD2-CG 3.91Å
151M94.4Very high86.7Confident1 Ų164.4 Ų64.41%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-109147.4-176.7-66.8173.367.600111.4T57 V105 C107 P112 R113 V115 V149 Q155 R156 L157T57-M151 HydrophobicContact CG2-CE 4.34Å; T57-M151 HydrophobicContact CG2-CG 4.12Å; T57-M151 HydrophobicContact CG2-SD 4.35Å; V105-M151 HydrophobicContact CG1-CE 4.49Å; V105-M151 HydrophobicContact CG1-SD 4.09Å; C107-M151 HydrophobicContact CB-CB 4.15Å; C107-M151 HydrophobicContact CB-CE 4.39Å; P112-M151 WeakPolarHBondContact CA-O 3.38Å; R113-M151 HydrophobicContact CB-CB 4.49Å; R113-M151 PolarHBondContact N-O 3.12Å; R113-M151 PolarHBondContact O-N 3.5Å; V115-M151 HydrophobicContact CG2-CG 4.15Å; V115-M151 HydrophobicContact CG2-SD 3.3Å; V115-M151 WeakPolarHBondContact CG2-SD 3.43Å; V149-M151 HydrophobicContact CG1-CG 4.01Å; V149-M151 HydrophobicContact CG1-SD 4.24Å; M151-Q155 VanDerWaalsContact CA-OE1 3.25Å; M151-Q155 HydrophobicContact CB-CB 4.22Å; M151-Q155 HydrophobicContact CE-CB 3.69Å; M151-Q155 WeakPolarHBondContact CE-O 3.46Å; M151-Q155 HydrophobicContact CG-CB 4.4Å; M151-R156 VanDerWaalsContact CE-CA 3.46Å; M151-R156 VanDerWaalsContact CE-N 3.34Å; M151-L157 HydrophobicContact CE-CB 4.39Å; M151-L157 HydrophobicContact SD-CB 4.25Å
152R94.2Very high89.1Confident197 Ų19757.7 Ų57.774%0.74328%0.283SS*.  trans-108.5167.7169.5-68.4-171.7177.3-171.7-0.2110.5C107 G154 Q155C107-R152 WeakPolarHBondContact CB-O 3.49Å; R152-G154 PolarHBondContact O-N 3.16Å; R152-Q155 VanDerWaalsContact O-CB 3.28Å; R152-Q155 WeakPolarHBondContact O-CB 3.42Å; R152-Q155 WeakPolarHBondContact O-CG 3.46Å; R152-Q155 PolarHBondContact O-N 3.31Å
153K94.7Very high91.4Very high127 Ų12755.1 Ų55.155%0.55226%0.257SS*.THydrogen-bonded Turntrans-46.8132.8177-168.5177.4179.9-179.30112.4C107 T109 D110 Q155C107-K153 CarbonylContact O-C 3.37Å; C107-K153 WeakPolarHBondContact O-CA 3.44Å; T109-K153 VanDerWaalsContact O-CB 3.3Å; T109-K153 WeakPolarHBondContact O-CB 3.02Å; D110-K153 HydrophobicContact CB-CD 4.43Å; K153-Q155 VanDerWaalsContact C-N 3.28Å; K153-Q155 PolarHBondContact O-N 2.97Å
154G94Very high93.6Very high54 Ų5450.2 Ų50.256%0.55723%0.233SC*.THydrogen-bonded Turntrans86.1-9.7-179.300000114.3N56 C107 R152N56-G154 PolarHBondContact ND2-O 2.84Å; N56-G154 VanDerWaalsContact ND2-O 3.12Å; C107-G154 PolarHBondContact O-N 3.06Å; R152-G154 PolarHBondContact O-N 3.16Å
155Q96.2Very high95Very high19 Ų1944.5 Ų44.59%0.08921%0.206CC..  trans-79.7145.8174.8-63.4-176.3-43.100111.5N56 M58 C107 M151 R152 K153N56-Q155 PolarHBondContact O-NE2 3.27Å; N56-Q155 WeakPolarHBondContact OD1-CA 3.44Å; N56-Q155 WeakPolarHBondContact OD1-CB 3.32Å; M58-Q155 VanDerWaalsContact CE-NE2 3.26Å; C107-Q155 PolarHBondContact N-O 3.47Å; M151-Q155 VanDerWaalsContact CA-OE1 3.25Å; M151-Q155 HydrophobicContact CB-CB 4.22Å; M151-Q155 HydrophobicContact CE-CB 3.69Å; M151-Q155 WeakPolarHBondContact CE-O 3.46Å; M151-Q155 HydrophobicContact CG-CB 4.4Å; R152-Q155 VanDerWaalsContact O-CB 3.28Å; R152-Q155 WeakPolarHBondContact O-CB 3.42Å; R152-Q155 WeakPolarHBondContact O-CG 3.46Å; R152-Q155 PolarHBondContact O-N 3.31Å; K153-Q155 VanDerWaalsContact C-N 3.28Å; K153-Q155 PolarHBondContact O-N 2.97Å
156R95.7Very high95.5Very high87 Ų8743.9 Ų43.933%0.32820%0.202SC..EExtended strand (participates in β ladder)trans-135.8140.7175.9-175.2170-175.1-168.75.5109.6D54 N56 D104 V105 C106 M151D54-R156 WeakPolarHBondContact OD2-CD 3.29Å; N56-R156 PolarHBondContact N-O 2.86Å; N56-R156 PolarHBondContact OD1-N 2.87Å; N56-R156 PolarHBondContact OD1-O 3.44Å; D104-R156 IonicContact OD1-CZ 2.57Å; D104-R156 IonicContact OD1-NE 2.64Å; D104-R156 PolarHBondContact OD1-NE 3.25Å; D104-R156 VanDerWaalsContact OD1-NE 3.14Å; D104-R156 IonicContact OD1-NH2 3Å; D104-R156 PolarHBondContact OD1-NH2 3.23Å; D104-R156 IonicContact OD2-NH2 3.66Å; D104-R156 PolarHBondContact OD2-NH2 3.46Å; V105-R156 CarbonylContact O-C 3.58Å; V105-R156 VanDerWaalsContact O-CA 3.29Å; V105-R156 WeakPolarHBondContact O-CA 3.27Å; V105-R156 WeakPolarHBondContact O-CG 3.46Å; C106-R156 HydrophobicContact CB-CG 4.35Å; M151-R156 VanDerWaalsContact CE-CA 3.46Å; M151-R156 VanDerWaalsContact CE-N 3.34Å
157L96.9Very high95.7Very high0 Ų043.3 Ų43.30%020%0.197CC..EExtended strand (participates in β ladder)trans-131.4120169.7179.760.9000108D54 N55 T57 I64 L103 V105 V149 M151 L159D54-L157 CarbonylContact O-C 3.53Å; D54-L157 WeakPolarHBondContact O-CA 3.5Å; N55-L157 HydrophobicContact CB-CD1 4.11Å; T57-L157 HydrophobicContact CG2-CB 4.07Å; I64-L157 HydrophobicContact CD1-CD1 3.98Å; I64-L157 HydrophobicContact CG2-CD1 4.45Å; I64-L157 HydrophobicContact CG2-CD2 4.3Å; L103-L157 HydrophobicContact CD2-CD2 3.77Å; L103-L157 HydrophobicContact CD2-CG 4.15Å; V105-L157 PolarHBondContact N-O 2.79Å; V105-L157 PolarHBondContact O-N 3.37Å; V149-L157 HydrophobicContact CG1-CD2 3.84Å; M151-L157 HydrophobicContact CE-CB 4.39Å; M151-L157 HydrophobicContact SD-CB 4.25Å; L157-L159 HydrophobicContact CD1-CD2 4.28Å; L157-L159 HydrophobicContact CD2-CD2 4.36Å; L157-L159 HydrophobicContact CG-CD2 4.35Å
158K97.9Very high95.8Very high64 Ų6441.5 Ų41.528%0.27819%0.192SC..EExtended strand (participates in β ladder)trans-128120.2174.5-167.5-179.1-174.2-1500109.8E53 D54 L103 D104E53-K158 HydrophobicContact CB-CB 4.37Å; E53-K158 HydrophobicContact CB-CD 4.28Å; E53-K158 HydrophobicContact CB-CG 4.28Å; E53-K158 PolarHBondContact N-O 3.35Å; E53-K158 VanDerWaalsContact OE2-CD 3.22Å; E53-K158 WeakPolarHBondContact OE2-CD 3.4Å; E53-K158 WeakPolarHBondContact OE2-CE 3.29Å; E53-K158 IonicContact OE2-NZ 2.68Å; E53-K158 PolarHBondContact OE2-NZ 2.91Å; D54-K158 HydrophobicContact CB-CB 3.98Å; D54-K158 PolarHBondContact N-O 2.88Å; D54-K158 VanDerWaalsContact N-O 3.13Å; D54-K158 PolarHBondContact O-N 3.31Å; L103-K158 CarbonylContact O-C 3.59Å; L103-K158 VanDerWaalsContact O-CA 3.26Å; L103-K158 WeakPolarHBondContact O-CA 3.18Å; D104-K158 HydrophobicContact CB-CG 4.05Å; D104-K158 WeakPolarHBondContact OD2-CE 3.23Å
159L97.6Very high95.9Very high3 Ų348.9 Ų48.92%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-145.9157.9178.263.178.9000112.5V50 Q51 I52 I64 V68 L103 L120 L157 A161V50-L159 HydrophobicContact CG1-CB 4.48Å; V50-L159 HydrophobicContact CG1-CD1 4.45Å; V50-L159 HydrophobicContact CG1-CD2 4.34Å; Q51-L159 CarbonylContact O-C 3.54Å; Q51-L159 VanDerWaalsContact O-CA 3.26Å; Q51-L159 WeakPolarHBondContact O-CA 3.49Å; Q51-L159 WeakPolarHBondContact O-CB 3.49Å; I52-L159 HydrophobicContact CG1-CB 4.09Å; I52-L159 HydrophobicContact CG1-CD2 4.49Å; I64-L159 HydrophobicContact CG2-CD2 3.69Å; V68-L159 HydrophobicContact CG2-CD2 4.29Å; L103-L159 HydrophobicContact CB-CD1 3.78Å; L103-L159 HydrophobicContact CB-CG 3.94Å; L103-L159 HydrophobicContact CD2-CD1 4.29Å; L103-L159 HydrophobicContact CD2-CD2 4.03Å; L103-L159 HydrophobicContact CD2-CG 3.99Å; L103-L159 PolarHBondContact N-O 2.96Å; L103-L159 PolarHBondContact O-N 2.57Å; L120-L159 HydrophobicContact CD2-CD1 4.37Å; L157-L159 HydrophobicContact CD1-CD2 4.28Å; L157-L159 HydrophobicContact CD2-CD2 4.36Å; L157-L159 HydrophobicContact CG-CD2 4.35Å; L159-A161 HydrophobicContact CD1-CB 4.3Å
160R97.6Very high95.9Very high74 Ų7452.1 Ų52.128%0.27924%0.239SC..EExtended strand (participates in β ladder)trans-118131.6171-178.1-175-176.6-153.5-1.9108.1V50 Q51 E100V50-R160 CarbonylContact C-O 3.6Å; V50-R160 WeakPolarHBondContact CA-O 3.43Å; Q51-R160 HydrophobicContact CB-CB 4.41Å; Q51-R160 PolarHBondContact N-O 3.19Å; Q51-R160 PolarHBondContact O-N 2.96Å; E100-R160 HydrophobicContact CG-CG 4.27Å; E100-R160 WeakPolarHBondContact OE1-CD 3.41Å; E100-R160 WeakPolarHBondContact OE1-CG 3.42Å; E100-R160 IonicContact OE1-CZ 3.49Å; E100-R160 IonicContact OE1-NE 2.68Å; E100-R160 PolarHBondContact OE1-NE 3.09Å; E100-R160 IonicContact OE1-NH2 2.78Å; E100-R160 IonicContact OE2-CZ 2.66Å; E100-R160 IonicContact OE2-NE 2.73Å; E100-R160 PolarHBondContact OE2-NE 3.25Å; E100-R160 IonicContact OE2-NH2 3.55Å; E100-R160 PolarHBondContact OE2-NH2 3.38Å
161A97.5Very high96Very high0 Ų050.3 Ų50.30%023%0.232CC..EExtended strand (participates in β ladder)trans-125.6141.3-177.900000110.1I47 W49 V50 V68 E100 L101 L159I47-A161 HydrophobicContact CD1-CB 4.14Å; I47-A161 HydrophobicContact CG2-CB 3.71Å; W49-A161 CarbonylContact O-C 3.59Å; W49-A161 WeakPolarHBondContact O-CA 3.45Å; V50-A161 HydrophobicContact CG2-CB 4.41Å; V68-A161 HydrophobicContact CG1-CB 4.26Å; E100-A161 CarbonylContact C-O 3.54Å; E100-A161 WeakPolarHBondContact CA-O 2.96Å; L101-A161 HydrophobicContact CB-CB 4.26Å; L101-A161 PolarHBondContact N-O 3.02Å; L101-A161 PolarHBondContact O-N 3.27Å; L159-A161 HydrophobicContact CD1-CB 4.3Å
162I97Very high95.9Very high1 Ų153.8 Ų53.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-120.4118.1179.2-54.9-65.3000108.6D48 W49 F93 V99 E100 K164D48-I162 PolarHBondContact N-O 3.41Å; W49-I162 HydrophobicContact CB-CB 4.23Å; W49-I162 HydrophobicContact CE3-CB 4.44Å; W49-I162 HydrophobicContact CE3-CG1 3.73Å; W49-I162 HydrophobicContact CZ3-CG1 4.29Å; W49-I162 PolarHBondContact N-O 3.44Å; W49-I162 PolarHBondContact O-N 3.17Å; F93-I162 HydrophobicContact CD1-CG2 3.87Å; F93-I162 HydrophobicContact CD2-CD1 4.38Å; F93-I162 HydrophobicContact CD2-CG1 4.12Å; F93-I162 HydrophobicContact CD2-CG2 4.41Å; F93-I162 HydrophobicContact CE1-CG2 4.05Å; F93-I162 HydrophobicContact CE2-CG1 4.09Å; F93-I162 HydrophobicContact CG-CG2 4.09Å; F93-I162 HydrophobicContact CZ-CG2 4.36Å; V99-I162 WeakPolarHBondContact O-CA 3.4Å; E100-I162 HydrophobicContact CB-CD1 3.95Å; E100-I162 HydrophobicContact CG-CD1 3.93Å; I162-K164 HydrophobicContact CG2-CG 4.45Å
163A97Very high96Very high0 Ų046.4 Ų46.40%023%0.234CC..EExtended strand (participates in β ladder)trans-87.6136173.100000111.2A46 I47 L73 S98 V99 L101A46-A163 VanDerWaalsContact O-CA 3.27Å; A46-A163 WeakPolarHBondContact O-CA 2.85Å; I47-A163 HydrophobicContact CG1-CB 4.31Å; L73-A163 HydrophobicContact CD1-CB 3.52Å; S98-A163 VanDerWaalsContact CA-O 3.3Å; S98-A163 WeakPolarHBondContact CA-O 3.33Å; V99-A163 HydrophobicContact CB-CB 4.38Å; V99-A163 PolarHBondContact N-O 3.38Å; V99-A163 PolarHBondContact O-N 3.49Å; L101-A163 HydrophobicContact CD1-CB 3.9Å
164K95.9Very high96.1Very high21 Ų2141 Ų419%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-129.1152-179.2-60.2178.9-166.9166.50110.4A46 D48 F85 I162 W174A46-K164 PolarHBondContact N-O 2.98Å; A46-K164 PolarHBondContact O-N 2.92Å; D48-K164 HydrophobicContact CB-CB 4.36Å; D48-K164 HydrophobicContact CB-CD 3.93Å; D48-K164 HydrophobicContact CB-CG 4.19Å; D48-K164 WeakPolarHBondContact OD2-CD 3.39Å; D48-K164 WeakPolarHBondContact OD2-CE 3.43Å; D48-K164 IonicContact OD2-NZ 3.35Å; D48-K164 PolarHBondContact OD2-NZ 3.27Å; F85-K164 HydrophobicContact CB-CD 4.2Å; F85-K164 HydrophobicContact CD2-CD 4.28Å; F85-K164 HydrophobicContact CG-CD 4.13Å; I162-K164 HydrophobicContact CG2-CG 4.45Å; K164-W174 PolarHBondContact O-NE1 2.75Å
165K96Very high96.2Very high23 Ų2340.7 Ų40.710%0.120%0.196CC..EExtended strand (participates in β ladder)trans-71.6128.2170.4-174.2176.3175.6168.70110.8P43 T44 L45 V79 M82 Y84P43-K165 HydrophobicContact CB-CG 4.38Å; T44-K165 WeakPolarHBondContact O-CA 3.38Å; L45-K165 HydrophobicContact CD2-CB 3.85Å; V79-K165 HydrophobicContact CG2-CD 4.45Å; V79-K165 HydrophobicContact CG2-CG 4.39Å; V79-K165 WeakPolarHBondContact O-CD 3.43Å; V79-K165 VanDerWaalsContact O-CE 3.27Å; V79-K165 WeakPolarHBondContact O-CE 3.38Å; V79-K165 PolarHBondContact O-NZ 2.93Å; M82-K165 HydrophobicContact CB-CD 4.38Å; M82-K165 WeakPolarHBondContact O-CD 3.46Å; M82-K165 PolarHBondContact O-NZ 3.26Å; Y84-K165 HydrophobicContact CD1-CB 4.38Å; Y84-K165 HydrophobicContact CD1-CD 4.33Å; Y84-K165 HydrophobicContact CD1-CG 3.99Å; Y84-K165 HydrophobicContact CE1-CD 4.26Å; Y84-K165 HydrophobicContact CE1-CG 3.84Å
166G95.8Very high96.1Very high0 Ų039.8 Ų39.80%019%0.192CC..EExtended strand (participates in β ladder)trans-153.7-171.217800000111P43 T44P43-G166 CarbonylContact C-O 3.59Å; P43-G166 VanDerWaalsContact CA-O 3.28Å; P43-G166 WeakPolarHBondContact CA-O 3.47Å; T44-G166 PolarHBondContact N-O 2.74Å; T44-G166 PolarHBondContact O-N 3.35Å
167F95.6Very high96.1Very high50 Ų5035.8 Ų35.822%0.21918%0.177CC..EExtended strand (participates in β ladder)trans-145.8153.9179.754-87.6000110.9Y84 K169 E170 W174Y84-F167 HydrophobicContact CE1-CD1 4.02Å; Y84-F167 HydrophobicContact CE1-CE1 4.43Å; F167-K169 HydrophobicContact CD2-CB 3.72Å; F167-K169 HydrophobicContact CE2-CB 3.77Å; F167-K169 HydrophobicContact CE2-CD 4.4Å; F167-K169 HydrophobicContact CE2-CG 4.44Å; F167-K169 PolarHBondContact O-N 2.93Å; F167-E170 HydrophobicContact CD1-CG 4.41Å; F167-E170 HydrophobicContact CD2-CG 4.1Å; F167-E170 HydrophobicContact CE1-CG 3.93Å; F167-E170 HydrophobicContact CE2-CG 3.57Å; F167-E170 HydrophobicContact CG-CG 4.49Å; F167-E170 HydrophobicContact CZ-CG 3.46Å; F167-E170 VanDerWaalsContact CZ-CG 3.46Å; F167-E170 PolarHBondContact O-N 3.44Å; F167-W174 VanDerWaalsContact C-CB 3.45Å
168G95Very high95.9Very high17 Ų1738.6 Ų38.618%0.17520%0.201CC..THydrogen-bonded Turntrans-57.6-25.3-168.900000116.3A40 E170 H171 W174A40-G168 CarbonylContact O-C 3.54Å; A40-G168 PolarHBondContact O-N 2.82Å; A40-G168 VanDerWaalsContact O-N 3.12Å; G168-E170 VanDerWaalsContact C-N 3.26Å; G168-E170 PolarHBondContact O-N 2.77Å; G168-H171 CarbonylContact O-C 3.51Å; G168-H171 PolarHBondContact O-N 3.35Å; G168-W174 PolarHBondContact N-O 3.12Å; G168-W174 VanDerWaalsContact N-O 3.11Å
169K95.2Very high95.7Very high154 Ų15436.8 Ų36.867%0.6720%0.2SC*.THydrogen-bonded Turntrans-66.2-26.1176.2-176.8-177.4179.6-175.80112.8A40 F167A40-K169 HydrophobicContact CB-CB 4.42Å; A40-K169 WeakPolarHBondContact O-CB 3.47Å; A40-K169 PolarHBondContact O-N 3.08Å; F167-K169 HydrophobicContact CD2-CB 3.72Å; F167-K169 HydrophobicContact CE2-CB 3.77Å; F167-K169 HydrophobicContact CE2-CD 4.4Å; F167-K169 HydrophobicContact CE2-CG 4.44Å; F167-K169 PolarHBondContact O-N 2.93Å
170E94.8Very high95.6Very high73 Ų7337.3 Ų37.334%0.34120%0.203SC..THydrogen-bonded Turntrans-79.8-42.5174.9-57.8-158.2146.300111.7R86 F167 G168 W174R86-E170 IonicContact CZ-OE1 3.62Å; R86-E170 IonicContact CZ-OE2 2.99Å; R86-E170 IonicContact NH1-OE1 3.05Å; R86-E170 PolarHBondContact NH1-OE1 2.91Å; R86-E170 VanDerWaalsContact NH2-CD 3.27Å; R86-E170 IonicContact NH2-OE1 3.14Å; R86-E170 PolarHBondContact NH2-OE1 3.46Å; R86-E170 IonicContact NH2-OE2 3.54Å; R86-E170 PolarHBondContact NH2-OE2 3.11Å; R86-E170 VanDerWaalsContact NH2-OE2 3.08Å; F167-E170 HydrophobicContact CD1-CG 4.41Å; F167-E170 HydrophobicContact CD2-CG 4.1Å; F167-E170 HydrophobicContact CE1-CG 3.93Å; F167-E170 HydrophobicContact CE2-CG 3.57Å; F167-E170 HydrophobicContact CG-CG 4.49Å; F167-E170 HydrophobicContact CZ-CG 3.46Å; F167-E170 VanDerWaalsContact CZ-CG 3.46Å; F167-E170 PolarHBondContact O-N 3.44Å; G168-E170 VanDerWaalsContact C-N 3.26Å; G168-E170 PolarHBondContact O-N 2.77Å; E170-W174 HydrophobicContact CB-CE3 4.23Å; E170-W174 HydrophobicContact CB-CZ3 4.13Å
171H96.1Very high95.4Very high91 Ų9135.4 Ų35.442%0.42121%0.206SC..  trans-161.9145.9178.9-169.3-90.5000110.4G168 K173 W174G168-H171 CarbonylContact O-C 3.51Å; G168-H171 PolarHBondContact O-N 3.35Å; H171-K173 HydrophobicContact CB-CG 4.16Å; H171-K173 WeakPolarHBondContact ND1-CB 3.31Å; H171-K173 WeakPolarHBondContact ND1-CD 3.29Å; H171-K173 WeakPolarHBondContact ND1-CG 3.13Å; H171-K173 PolarHBondContact ND1-N 3.43Å; H171-K173 VanDerWaalsContact ND1-N 3.11Å; H171-K173 PolarHBondContact O-N 3.28Å; H171-W174 HydrophobicContact CB-CE3 3.64Å; H171-W174 HydrophobicContact CB-CZ3 3.63Å; H171-W174 PolarHBondContact O-N 2.79Å
172A94.1Very high95.3Very high75 Ų7537.6 Ų37.662%0.6222%0.216SC*.G310 helixtrans-58.2-24-178.500000114.2W174 N175A172-W174 PolarHBondContact O-N 2.95Å; A172-N175 VanDerWaalsContact O-CB 3.27Å; A172-N175 WeakPolarHBondContact O-CB 3.48Å; A172-N175 PolarHBondContact O-N 2.76Å
173K95.9Very high95.1Very high41 Ų4140.5 Ų40.518%0.17823%0.23CC..G310 helixtrans-60.9-24.4176.274.7-169.9173.1-172.50114.1A46 D48 G69 L70 H171A46-K173 HydrophobicContact CB-CB 4.13Å; A46-K173 HydrophobicContact CB-CD 4.25Å; A46-K173 HydrophobicContact CB-CG 3.78Å; A46-K173 WeakPolarHBondContact CB-O 3.48Å; D48-K173 IonicContact OD1-NZ 2.73Å; D48-K173 PolarHBondContact OD1-NZ 3.41Å; G69-K173 WeakPolarHBondContact O-CB 3.47Å; L70-K173 HydrophobicContact CD2-CB 3.99Å; H171-K173 HydrophobicContact CB-CG 4.16Å; H171-K173 WeakPolarHBondContact ND1-CB 3.31Å; H171-K173 WeakPolarHBondContact ND1-CD 3.29Å; H171-K173 WeakPolarHBondContact ND1-CG 3.13Å; H171-K173 PolarHBondContact ND1-N 3.43Å; H171-K173 VanDerWaalsContact ND1-N 3.11Å; H171-K173 PolarHBondContact O-N 3.28Å
174W96.4Very high95Very high15 Ų1543.5 Ų43.56%0.05724%0.241CC..G310 helixtrans-99.220.3175.3-67.4-71.6000112.6T44 A46 D48 K164 F167 G168 E170 H171 A172 P176T44-W174 HydrophobicContact CG2-CB 3.72Å; T44-W174 HydrophobicContact CG2-CG 4.27Å; T44-W174 WeakPolarHBondContact CG2-O 3.44Å; T44-W174 VanDerWaalsContact O-CD1 3.31Å; A46-W174 VanDerWaalsContact CB-CD1 3.49Å; A46-W174 HydrophobicContact CB-CD2 4.45Å; A46-W174 HydrophobicContact CB-CG 4.09Å; D48-W174 HydrophobicContact CB-CH2 4.44Å; D48-W174 HydrophobicContact CB-CZ2 4.05Å; D48-W174 WeakPolarHBondContact OD1-CH2 3.41Å; K164-W174 PolarHBondContact O-NE1 2.75Å; F167-W174 VanDerWaalsContact C-CB 3.45Å; G168-W174 PolarHBondContact N-O 3.12Å; G168-W174 VanDerWaalsContact N-O 3.11Å; E170-W174 HydrophobicContact CB-CE3 4.23Å; E170-W174 HydrophobicContact CB-CZ3 4.13Å; H171-W174 HydrophobicContact CB-CE3 3.64Å; H171-W174 HydrophobicContact CB-CZ3 3.63Å; H171-W174 PolarHBondContact O-N 2.79Å; A172-W174 PolarHBondContact O-N 2.95Å; W174-P176 VanDerWaalsContact O-CD 3.31Å; W174-P176 WeakPolarHBondContact O-CD 3.47Å
175N95.5Very high94.9Very high46 Ų4644 Ų4425%0.24625%0.245CC..  trans-83.1114.3169179.38.4000109.1I39 A172 T177I39-N175 PolarHBondContact O-OD1 3.48Å; A172-N175 VanDerWaalsContact O-CB 3.27Å; A172-N175 WeakPolarHBondContact O-CB 3.48Å; A172-N175 PolarHBondContact O-N 2.76Å; N175-T177 VanDerWaalsContact C-N 3.28Å; N175-T177 PolarHBondContact ND2-O 3.49Å; N175-T177 PolarHBondContact O-N 3.44Å; N175-T177 PolarHBondContact OD1-N 3.17Å; N175-T177 PolarHBondContact OD1-O 2.93Å; N175-T177 VanDerWaalsContact OD1-O 3.12Å; N175-T177 PolarHBondContact OD1-OG1 2.91Å
176P94.7Very high94.8Very high0 Ų044.6 Ų44.60%025%0.251CS..  trans-78.7-13.3179.232.9-34.3000113.1V42 W174 T233 C234 L237 I242V42-P176 HydrophobicContact CB-CG 3.81Å; V42-P176 HydrophobicContact CG1-CG 3.75Å; W174-P176 VanDerWaalsContact O-CD 3.31Å; W174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-T233 PolarHBondContact O-OG1 3.36Å; P176-C234 PolarHBondContact O-N 3.01Å; P176-L237 HydrophobicContact CB-CD1 3.99Å; P176-I242 HydrophobicContact CB-CD1 4.04Å; P176-I242 HydrophobicContact CB-CG1 4.24Å; P176-I242 HydrophobicContact CG-CD1 4.44Å; P176-I242 HydrophobicContact CG-CG1 4.44Å
177T94.8Very high94.6Very high3 Ų345.4 Ų45.42%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-101.3135.2-177.5620000111.9N175 V180 I231 E232 C234 I242N175-T177 VanDerWaalsContact C-N 3.28Å; N175-T177 PolarHBondContact ND2-O 3.49Å; N175-T177 PolarHBondContact O-N 3.44Å; N175-T177 PolarHBondContact OD1-N 3.17Å; N175-T177 PolarHBondContact OD1-O 2.93Å; N175-T177 VanDerWaalsContact OD1-O 3.12Å; N175-T177 PolarHBondContact OD1-OG1 2.91Å; T177-V180 HydrophobicContact CG2-CG2 3.9Å; T177-I231 HydrophobicContact CG2-CG2 4.08Å; T177-E232 CarbonylContact C-O 3.5Å; T177-E232 VanDerWaalsContact CA-O 3.32Å; T177-E232 WeakPolarHBondContact CA-O 3.32Å; T177-C234 PolarHBondContact O-SG 3.21Å; T177-I242 HydrophobicContact CG2-CD1 3.98Å; T177-I242 HydrophobicContact CG2-CG2 3.85Å
178A93.1Very high94.5Very high60 Ų6043.4 Ų43.450%0.49625%0.247SC..EExtended strand (participates in β ladder)trans-78.2-41.7169.500000110.1E232 C234A178-E232 HydrophobicContact CB-CB 4.41Å; A178-E232 HydrophobicContact CB-CG 4.08Å; A178-E232 PolarHBondContact N-O 2.91Å; A178-C234 PolarHBondContact N-SG 2.83Å
179G93.3Very high94.4Very high26 Ų2643.6 Ų43.627%0.26825%0.247SC..EExtended strand (participates in β ladder)trans-155.3145.7179.100000111.9E232G179-E232 PolarHBondContact N-O 3.1Å; G179-E232 PolarHBondContact O-N 2.83Å
180V95.3Very high94.3Very high13 Ų1337.1 Ų37.18%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-127.398.9169.5-175.80000109.4R35 I39 T177 N230 I231R35-V180 HydrophobicContact CG-CB 4.41Å; R35-V180 HydrophobicContact CG-CG1 3.77Å; R35-V180 PolarHBondContact NE-O 3.16Å; R35-V180 PolarHBondContact NH2-O 3.49Å; I39-V180 HydrophobicContact CD1-CB 4.04Å; I39-V180 HydrophobicContact CD1-CG2 4.11Å; I39-V180 HydrophobicContact CG1-CB 4.04Å; I39-V180 HydrophobicContact CG1-CG2 3.54Å; T177-V180 HydrophobicContact CG2-CG2 3.9Å; V180-N230 CarbonylContact C-O 3.43Å; V180-N230 WeakPolarHBondContact CA-O 3.37Å; V180-I231 HydrophobicContact CG1-CG1 3.92Å; V180-I231 HydrophobicContact CG2-CG1 4.33Å; V180-I231 HydrophobicContact CG2-CG2 4.41Å
181G94.4Very high94.2Very high34 Ų3437 Ų3735%0.35122%0.216SC..EExtended strand (participates in β ladder)trans-66.9131.7167.100000110.1F229 N230G181-F229 WeakPolarHBondContact O-CA 3.31Å; G181-N230 PolarHBondContact N-O 3.22Å; G181-N230 PolarHBondContact O-N 2.86Å
182F94.4Very high93.9Very high46 Ų4637.1 Ų37.120%0.20222%0.217CC..EExtended strand (participates in β ladder)trans-147.5119179.4173.3-99.1000108.1L28 A31 N32 R35 Y184 F227 Y228 F229L28-F182 HydrophobicContact CD1-CE1 4.1Å; L28-F182 HydrophobicContact CD1-CZ 3.8Å; A31-F182 HydrophobicContact CB-CE2 3.88Å; A31-F182 HydrophobicContact CB-CZ 4.25Å; N32-F182 HydrophobicContact CB-CZ 4.45Å; R35-F182 HydrophobicContact CG-CB 4.31Å; F182-Y184 HydrophobicContact CE1-CD1 4.02Å; F182-Y184 HydrophobicContact CE1-CE1 4.42Å; F182-Y184 HydrophobicContact CZ-CD1 4.39Å; F182-F227 HydrophobicContact CE2-CB 4.11Å; F182-F227 AromaticContact CE2-CD1 3.86Å; F182-F227 HydrophobicContact CE2-CD1 3.86Å; F182-F227 HydrophobicContact CE2-CG 4.24Å; F182-F227 AromaticContact CZ-CD1 3.69Å; F182-F227 HydrophobicContact CZ-CD1 3.69Å; F182-F227 HydrophobicContact CZ-CE1 4.32Å; F182-Y228 WeakPolarHBondContact CA-O 3.43Å; F182-F229 HydrophobicContact CD2-CD1 4.2Å; F182-F229 HydrophobicContact CD2-CD2 4.49Å; F182-F229 AromaticContact CD2-CE1 3.65Å; F182-F229 HydrophobicContact CD2-CE1 3.65Å; F182-F229 AromaticContact CD2-CE2 3.97Å; F182-F229 HydrophobicContact CD2-CE2 3.97Å; F182-F229 AromaticContact CD2-CZ 3.52Å; F182-F229 HydrophobicContact CD2-CZ 3.52Å; F182-F229 HydrophobicContact CE2-CE1 4.17Å; F182-F229 AromaticContact CE2-CE2 3.96Å; F182-F229 HydrophobicContact CE2-CE2 3.96Å; F182-F229 AromaticContact CE2-CZ 3.58Å; F182-F229 HydrophobicContact CE2-CZ 3.58Å
183E94.2Very high93.7Very high62 Ų6237.2 Ų37.229%0.2921%0.21SC..EExtended strand (participates in β ladder)trans-139.1146.7-175.6-175.2179177.100109.7P186 S204 F227 Y228E183-P186 WeakPolarHBondContact OE1-CB 3.31Å; E183-S204 WeakPolarHBondContact OE1-CB 3.45Å; E183-S204 PolarHBondContact OE1-OG 3.37Å; E183-S204 PolarHBondContact OE2-OG 3.36Å; E183-S204 VanDerWaalsContact OE2-OG 3.1Å; E183-F227 CarbonylContact O-C 3.46Å; E183-F227 WeakPolarHBondContact O-CA 3.41Å; E183-Y228 PolarHBondContact N-O 3.42Å; E183-Y228 PolarHBondContact O-N 3.05Å
184Y95Very high93.3Very high63 Ų6344.5 Ų44.525%0.24724%0.242CC..EExtended strand (participates in β ladder)trans-146.7159.3167.669.5-87.2000108.1L28 F182 L190 H192 P224 R226 F227L28-Y184 HydrophobicContact CD1-CD1 3.93Å; L28-Y184 HydrophobicContact CD1-CE1 3.81Å; L28-Y184 HydrophobicContact CD2-CE1 4.48Å; F182-Y184 HydrophobicContact CE1-CD1 4.02Å; F182-Y184 HydrophobicContact CE1-CE1 4.42Å; F182-Y184 HydrophobicContact CZ-CD1 4.39Å; Y184-L190 HydrophobicContact CE2-CD1 4.47Å; Y184-H192 AromaticContact CE2-ND1 3.43Å; Y184-H192 WeakPolarHBondContact CE2-ND1 3.34Å; Y184-H192 AromaticContact CZ-ND1 3.7Å; Y184-H192 PolarHBondContact OH-ND1 3.12Å; Y184-P224 HydrophobicContact CD2-CB 3.67Å; Y184-P224 HydrophobicContact CD2-CG 3.75Å; Y184-P224 HydrophobicContact CE2-CB 4.11Å; Y184-P224 HydrophobicContact CE2-CG 3.66Å; Y184-P224 HydrophobicContact CG-CB 4.23Å; Y184-R226 WeakPolarHBondContact CB-O 3.44Å; Y184-F227 HydrophobicContact CD1-CD1 4.46Å; Y184-F227 HydrophobicContact CD1-CE1 4.48Å; Y184-F227 HydrophobicContact CG-CD1 4.28Å; Y184-F227 HydrophobicContact CG-CE1 4.21Å
185D94Very high92.8Very high33 Ų3345.5 Ų45.518%0.17625%0.248CC..  trans5157.6-179.5-170.730000113D187 N188 A189 L190D185-D187 PolarHBondContact O-N 2.58Å; D185-D187 VanDerWaalsContact O-N 3.13Å; D185-N188 WeakPolarHBondContact O-CA 3.36Å; D185-N188 PolarHBondContact O-N 3.49Å; D185-N188 PolarHBondContact OD1-N 2.89Å; D185-N188 VanDerWaalsContact OD2-CA 3.26Å; D185-N188 WeakPolarHBondContact OD2-CA 3.4Å; D185-A189 VanDerWaalsContact CG-N 3.3Å; D185-A189 WeakPolarHBondContact OD1-CB 3.25Å; D185-A189 PolarHBondContact OD1-N 3.11Å; D185-A189 PolarHBondContact OD2-N 3Å; D185-A189 VanDerWaalsContact OD2-N 3.1Å; D185-L190 HydrophobicContact CB-CD1 4.2Å; D185-L190 HydrophobicContact CB-CG 4.4Å; D185-L190 VanDerWaalsContact OD2-CB 3.26Å; D185-L190 WeakPolarHBondContact OD2-CB 3.17Å; D185-L190 WeakPolarHBondContact OD2-CG 3.24Å; D185-L190 PolarHBondContact OD2-N 3.5Å
186P92.7Very high92.3Very high35 Ų3551.9 Ų51.923%0.22728%0.276CS..THydrogen-bonded Turntrans-58.8-28.3-175.624.4-35.3000112.9E183 N188 Y228E183-P186 WeakPolarHBondContact OE1-CB 3.31Å; P186-N188 VanDerWaalsContact C-N 3.34Å; P186-Y228 HydrophobicContact CG-CE2 4.04Å
187D92.9Very high92.1Very high16 Ų1656.1 Ų56.19%0.08629%0.294CS..THydrogen-bonded Turntrans-946.8-179.3-63.9-38.8000112.3D185 A189 S207 T208 L209 Q215 A216D185-D187 PolarHBondContact O-N 2.58Å; D185-D187 VanDerWaalsContact O-N 3.13Å; D187-A189 VanDerWaalsContact C-N 3.25Å; D187-A189 PolarHBondContact O-N 3.47Å; D187-S207 WeakPolarHBondContact OD1-CA 3.21Å; D187-S207 WeakPolarHBondContact OD1-CB 3.43Å; D187-S207 PolarHBondContact OD1-OG 3.29Å; D187-T208 PolarHBondContact OD2-N 3.01Å; D187-T208 PolarHBondContact OD2-OG1 2.99Å; D187-L209 HydrophobicContact CB-CD1 3.75Å; D187-L209 HydrophobicContact CB-CG 3.96Å; D187-Q215 WeakPolarHBondContact O-CA 3.12Å; D187-A216 HydrophobicContact CB-CB 3.88Å; D187-A216 PolarHBondContact O-N 3.44Å
188N92.7Very high91.8Very high8 Ų857.1 Ų57.14%0.04330%0.301CS..  trans52.834.6175.7-165.218.1000114.4D185 P186 L190 R191 T193 L195 Q215D185-N188 WeakPolarHBondContact O-CA 3.36Å; D185-N188 PolarHBondContact O-N 3.49Å; D185-N188 PolarHBondContact OD1-N 2.89Å; D185-N188 VanDerWaalsContact OD2-CA 3.26Å; D185-N188 WeakPolarHBondContact OD2-CA 3.4Å; P186-N188 VanDerWaalsContact C-N 3.34Å; N188-L190 PolarHBondContact O-N 3.34Å; N188-R191 PolarHBondContact O-N 2.99Å; N188-R191 PolarHBondContact O-NH1 3.26Å; N188-R191 VanDerWaalsContact OD1-CA 3.28Å; N188-R191 WeakPolarHBondContact OD1-CA 3.31Å; N188-R191 PolarHBondContact OD1-N 3.36Å; N188-T193 PolarHBondContact ND2-O 3.14Å; N188-T193 PolarHBondContact OD1-N 2.92Å; N188-T193 PolarHBondContact OD1-O 2.98Å; N188-L195 WeakPolarHBondContact ND2-CD1 3.23Å; N188-Q215 PolarHBondContact ND2-NE2 3.47Å
189A92.9Very high91.6Very high21 Ų2159.5 Ų59.517%0.17430%0.302CS..THydrogen-bonded Turntrans-59.2-33.5179.700000112.4D185 D187 R191 A216 Y218 D219D185-A189 VanDerWaalsContact CG-N 3.3Å; D185-A189 WeakPolarHBondContact OD1-CB 3.25Å; D185-A189 PolarHBondContact OD1-N 3.11Å; D185-A189 PolarHBondContact OD2-N 3Å; D185-A189 VanDerWaalsContact OD2-N 3.1Å; D187-A189 VanDerWaalsContact C-N 3.25Å; D187-A189 PolarHBondContact O-N 3.47Å; A189-R191 VanDerWaalsContact C-N 3.33Å; A189-A216 HydrophobicContact CB-CB 3.79Å; A189-Y218 WeakPolarHBondContact O-CA 3.43Å; A189-Y218 WeakPolarHBondContact O-CD2 3.31Å; A189-D219 PolarHBondContact O-N 3.29Å
190L93.2Very high91.5Very high19 Ų1964.3 Ų64.310%0.09932%0.318CS..THydrogen-bonded Turntrans-83.1-11-177.8-54.7177.5000113Y184 D185 N188 H192 G222 P224Y184-L190 HydrophobicContact CE2-CD1 4.47Å; D185-L190 HydrophobicContact CB-CD1 4.2Å; D185-L190 HydrophobicContact CB-CG 4.4Å; D185-L190 VanDerWaalsContact OD2-CB 3.26Å; D185-L190 WeakPolarHBondContact OD2-CB 3.17Å; D185-L190 WeakPolarHBondContact OD2-CG 3.24Å; D185-L190 PolarHBondContact OD2-N 3.5Å; N188-L190 PolarHBondContact O-N 3.34Å; L190-H192 PolarHBondContact O-CD2 2.98Å; L190-H192 PolarHBondContact O-N 3.28Å; L190-G222 VanDerWaalsContact CD2-C 3.44Å; L190-P224 HydrophobicContact CD1-CB 4.36Å; L190-P224 HydrophobicContact CD1-CG 3.59Å
191R92Very high91.2Very high71 Ų7170.8 Ų70.827%0.26834%0.34SS..  trans54.332.2-175.6-59.1-65.9-171-77.62.3113.1N188 A189 T193 A216 Y218N188-R191 PolarHBondContact O-N 2.99Å; N188-R191 PolarHBondContact O-NH1 3.26Å; N188-R191 VanDerWaalsContact OD1-CA 3.28Å; N188-R191 WeakPolarHBondContact OD1-CA 3.31Å; N188-R191 PolarHBondContact OD1-N 3.36Å; A189-R191 VanDerWaalsContact C-N 3.33Å; R191-T193 PolarHBondContact O-N 3.4Å; R191-A216 PolarHBondContact NH1-O 2.83Å; R191-A216 PolarHBondContact NH2-O 3.23Å; R191-Y218 HydrophobicContact CB-CD2 3.94Å; R191-Y218 HydrophobicContact CB-CE2 3.79Å; R191-Y218 HydrophobicContact CG-CD2 3.28Å; R191-Y218 HydrophobicContact CG-CE2 3.69Å; R191-Y218 HydrophobicContact CG-CG 4.05Å
192H91.2Very high90.9Very high92 Ų9274.9 Ų74.943%0.42636%0.361SS..  trans-69.1-25.8170.7-71.3-175.2000111.9Y184 L190Y184-H192 AromaticContact CE2-ND1 3.43Å; Y184-H192 WeakPolarHBondContact CE2-ND1 3.34Å; Y184-H192 AromaticContact CZ-ND1 3.7Å; Y184-H192 PolarHBondContact OH-ND1 3.12Å; L190-H192 PolarHBondContact O-CD2 2.98Å; L190-H192 PolarHBondContact O-N 3.28Å
193T88.6Confident90.6Very high78 Ų7878.4 Ų78.448%0.47937%0.373SS..SBendtrans-104.2120.5176-55.10000109.9N188 R191 L195N188-T193 PolarHBondContact ND2-O 3.14Å; N188-T193 PolarHBondContact OD1-N 2.92Å; N188-T193 PolarHBondContact OD1-O 2.98Å; R191-T193 PolarHBondContact O-N 3.4Å; T193-L195 HydrophobicContact CG2-CD2 3.63Å; T193-L195 HydrophobicContact CG2-CG 4.19Å; T193-L195 PolarHBondContact O-N 3.01Å
194F87.3Confident90.4Very high193 Ų19376.6 Ų76.685%0.84637%0.368SS*.  trans-80.8100.3174.2-64-75.8000110.4
195L86.7Confident90.2Very high36 Ų3679.8 Ų79.819%0.18838%0.384CS..  trans-94.5115.1174.6-56.3178.3000109.2N188 T193 P198 W201N188-L195 WeakPolarHBondContact ND2-CD1 3.23Å; T193-L195 HydrophobicContact CG2-CD2 3.63Å; T193-L195 HydrophobicContact CG2-CG 4.19Å; T193-L195 PolarHBondContact O-N 3.01Å; L195-P198 HydrophobicContact CB-CB 4.36Å; L195-P198 HydrophobicContact CB-CG 4.03Å; L195-P198 HydrophobicContact CD1-CB 4.17Å; L195-W201 HydrophobicContact CD2-CD2 3.59Å; L195-W201 HydrophobicContact CD2-CE3 4.13Å; L195-W201 HydrophobicContact CD2-CG 3.76Å; L195-W201 HydrophobicContact CD2-CZ2 4.16Å
196H86Confident90.1Very high180 Ų18080 Ų8083%0.83338%0.383SS*.SBendtrans-66.7-38.6179.4-170.659.8000112.3
197K90.4Very high90Very high89 Ų8979.4 Ų79.439%0.38738%0.38SS..SBendtrans-138.392.2173-70.2-178.9-179.3-1760109E199 E200K197-E199 PolarHBondContact O-N 3.41Å; K197-E199 VanDerWaalsContact O-N 3.15Å; K197-E200 HydrophobicContact CB-CB 4.4Å; K197-E200 HydrophobicContact CB-CG 4.12Å; K197-E200 HydrophobicContact CD-CG 4.14Å; K197-E200 WeakPolarHBondContact CD-OE1 3.46Å; K197-E200 IonicContact NZ-OE1 2.82Å; K197-E200 PolarHBondContact NZ-OE1 3.42Å; K197-E200 PolarHBondContact O-N 3.13Å; K197-E200 VanDerWaalsContact O-N 3.1Å
198P88Confident89.8Confident24 Ų2484 Ų8416%0.15641%0.408CS..G310 helixtrans-53.3-34.1-174.6-27.134.7000114.4L195 E200 W201 H214 Q215L195-P198 HydrophobicContact CB-CB 4.36Å; L195-P198 HydrophobicContact CB-CG 4.03Å; L195-P198 HydrophobicContact CD1-CB 4.17Å; P198-E200 VanDerWaalsContact C-N 3.26Å; P198-E200 PolarHBondContact O-N 2.83Å; P198-W201 PolarHBondContact O-N 2.86Å; P198-H214 HydrophobicContact CB-CB 3.73Å; P198-Q215 HydrophobicContact CB-CG 3.68Å; P198-Q215 HydrophobicContact CG-CG 3.79Å
199E88.7Confident89.7Confident110 Ų11084.8 Ų84.851%0.51441%0.413SS..G310 helixtrans-64.6-21.9179.660.9-87.9-164.100115K197K197-E199 PolarHBondContact O-N 3.41Å; K197-E199 VanDerWaalsContact O-N 3.15Å
200E90.3Very high89.6Confident128 Ų12886.7 Ų86.760%0.59842%0.423SS*.G310 helixtrans-86.1-10.1179.7-68.6-177.9-178.600112.8K197 P198K197-E200 HydrophobicContact CB-CB 4.4Å; K197-E200 HydrophobicContact CB-CG 4.12Å; K197-E200 HydrophobicContact CD-CG 4.14Å; K197-E200 WeakPolarHBondContact CD-OE1 3.46Å; K197-E200 IonicContact NZ-OE1 2.82Å; K197-E200 PolarHBondContact NZ-OE1 3.42Å; K197-E200 PolarHBondContact O-N 3.13Å; K197-E200 VanDerWaalsContact O-N 3.1Å; P198-E200 VanDerWaalsContact C-N 3.26Å; P198-E200 PolarHBondContact O-N 2.83Å
201W89.2Confident89.2Confident148 Ų14894.2 Ų94.256%0.56146%0.458SS*.SBendtrans-87.6139.5-176.3-71.574.5000111.6L195 P198 R203L195-W201 HydrophobicContact CD2-CD2 3.59Å; L195-W201 HydrophobicContact CD2-CE3 4.13Å; L195-W201 HydrophobicContact CD2-CG 3.76Å; L195-W201 HydrophobicContact CD2-CZ2 4.16Å; P198-W201 PolarHBondContact O-N 2.86Å; W201-R203 PolarHBondContact O-N 3.31Å
202P89.5Confident89Confident121 Ų12196.7 Ų96.779%0.78648%0.476SS*.PPolyproline II helixtrans-56.1133.1173.7-23.933.4000111.2
203R88Confident88.9Confident119 Ų11996.2 Ų96.245%0.44948%0.475SS..PPolyproline II helixtrans-75.4135.2178.1-169.6170-178.6-158.5-14.5110.5W201 S207 L209W201-R203 PolarHBondContact O-N 3.31Å; R203-S207 VanDerWaalsContact CZ-OG 3.32Å; R203-S207 VanDerWaalsContact NE-CB 3.35Å; R203-S207 PolarHBondContact NE-OG 2.91Å; R203-S207 PolarHBondContact NH2-O 2.62Å; R203-S207 PolarHBondContact NH2-OG 3.16Å; R203-L209 PolarHBondContact NH1-O 3.02Å; R203-L209 PolarHBondContact NH2-O 3.12Å
204S89.6Confident88.9Confident25 Ų2597 Ų9718%0.17547%0.473CS..PPolyproline II helixtrans-64.5146.6174.9179.70000112E183 Y206 S207E183-S204 WeakPolarHBondContact OE1-CB 3.45Å; E183-S204 PolarHBondContact OE1-OG 3.37Å; E183-S204 PolarHBondContact OE2-OG 3.36Å; E183-S204 VanDerWaalsContact OE2-OG 3.1Å; S204-Y206 PolarHBondContact O-N 3.48Å; S204-Y206 PolarHBondContact OG-N 2.92Å; S204-Y206 VanDerWaalsContact OG-N 3.17Å; S204-S207 WeakPolarHBondContact O-CB 3.38Å; S204-S207 PolarHBondContact O-N 3.24Å
205E90.3Very high89.1Confident129 Ų12990.5 Ų90.560%0.60345%0.445SS*.THydrogen-bonded Turntrans-63.8-16.6171.366.2-179.9170.300112.6K20K20-E205 VanDerWaalsContact NZ-CD 3.34Å; K20-E205 IonicContact NZ-OE1 2.74Å; K20-E205 PolarHBondContact NZ-OE1 3.27Å; K20-E205 IonicContact NZ-OE2 3.93Å; K20-E205 PolarHBondContact NZ-OE2 2.73Å
206Y91.6Very high89.3Confident38 Ų3889.4 Ų89.415%0.14944%0.441CS..THydrogen-bonded Turntrans-103.44.1-179-51.7-71.7000114.1S204 Y228S204-Y206 PolarHBondContact O-N 3.48Å; S204-Y206 PolarHBondContact OG-N 2.92Å; S204-Y206 VanDerWaalsContact OG-N 3.17Å; Y206-Y228 AromaticContact CD1-CD1 3.27Å; Y206-Y228 HydrophobicContact CD1-CD1 3.27Å; Y206-Y228 AromaticContact CD1-CE1 3.51Å; Y206-Y228 HydrophobicContact CD1-CE1 3.51Å; Y206-Y228 AromaticContact CD1-CG 3.93Å; Y206-Y228 HydrophobicContact CD1-CG 3.93Å; Y206-Y228 AromaticContact CD2-CD1 3.84Å; Y206-Y228 HydrophobicContact CD2-CD1 3.84Å; Y206-Y228 AromaticContact CD2-CD2 3.97Å; Y206-Y228 HydrophobicContact CD2-CD2 3.97Å; Y206-Y228 HydrophobicContact CD2-CE1 4.45Å; Y206-Y228 AromaticContact CD2-CG 3.58Å; Y206-Y228 HydrophobicContact CD2-CG 3.58Å; Y206-Y228 AromaticContact CE1-CD1 3.59Å; Y206-Y228 HydrophobicContact CE1-CD1 3.59Å; Y206-Y228 HydrophobicContact CE1-CE1 4.23Å; Y206-Y228 HydrophobicContact CE1-CG 4.19Å; Y206-Y228 HydrophobicContact CE2-CD1 4.15Å; Y206-Y228 AromaticContact CE2-CG 3.9Å; Y206-Y228 HydrophobicContact CE2-CG 3.9Å; Y206-Y228 AromaticContact CG-CD1 3.4Å; Y206-Y228 HydrophobicContact CG-CD1 3.4Å; Y206-Y228 VanDerWaalsContact CG-CD1 3.4Å; Y206-Y228 HydrophobicContact CG-CD2 4Å; Y206-Y228 AromaticContact CG-CE1 3.63Å; Y206-Y228 HydrophobicContact CG-CE1 3.63Å; Y206-Y228 HydrophobicContact CG-CE2 4.18Å; Y206-Y228 AromaticContact CG-CG 3.61Å; Y206-Y228 HydrophobicContact CG-CG 3.61Å; Y206-Y228 AromaticContact CG-CZ 4Å
207S91.2Very high89.6Confident22 Ų2286 Ų8615%0.15444%0.435CS..  trans-65.3135.1179.7174.20000111.2D187 R203 S204D187-S207 WeakPolarHBondContact OD1-CA 3.21Å; D187-S207 WeakPolarHBondContact OD1-CB 3.43Å; D187-S207 PolarHBondContact OD1-OG 3.29Å; R203-S207 VanDerWaalsContact CZ-OG 3.32Å; R203-S207 VanDerWaalsContact NE-CB 3.35Å; R203-S207 PolarHBondContact NE-OG 2.91Å; R203-S207 PolarHBondContact NH2-O 2.62Å; R203-S207 PolarHBondContact NH2-OG 3.16Å; S204-S207 WeakPolarHBondContact O-CB 3.38Å; S204-S207 PolarHBondContact O-N 3.24Å
208T89Confident89.8Confident112 Ų11288.4 Ų88.469%0.68744%0.442SS*.  trans-103.2-5.9-179.758.50000113.9D187D187-T208 PolarHBondContact OD2-N 3.01Å; D187-T208 PolarHBondContact OD2-OG1 2.99Å
209L90.5Very high90Very high26 Ų2690.3 Ų90.314%0.13645%0.451CS..SBendtrans-68.5161.4-176.8-67.7175.7000113.8D187 R203 E213 A216D187-L209 HydrophobicContact CB-CD1 3.75Å; D187-L209 HydrophobicContact CB-CG 3.96Å; R203-L209 PolarHBondContact NH1-O 3.02Å; R203-L209 PolarHBondContact NH2-O 3.12Å; L209-E213 HydrophobicContact CB-CB 4.23Å; L209-E213 HydrophobicContact CD1-CB 4.38Å; L209-A216 HydrophobicContact CD2-CB 4.27Å
210P89.7Confident90.1Very high61 Ų6189.4 Ų89.440%0.39646%0.455SS..  trans-61.9154.4161.2-2537.3000112.2N212 E213P210-N212 WeakPolarHBondContact CB-OD1 3.32Å; P210-N212 PolarHBondContact O-N 3.06Å; P210-E213 PolarHBondContact O-N 3.1Å
211E85.2Confident90.2Very high176 Ų17689 Ų8982%0.82246%0.461SS*.THydrogen-bonded Turntrans-61.5-25.6-179.6-70.7-175.1168.500114.4E213E211-E213 VanDerWaalsContact C-N 3.3Å
212N88.4Confident90.3Very high123 Ų12383 Ų8366%0.65845%0.445SS*.THydrogen-bonded Turntrans-81.6-7.1177.460.9-63.3000113.5P210P210-N212 WeakPolarHBondContact CB-OD1 3.32Å; P210-N212 PolarHBondContact O-N 3.06Å
213E89Confident90.3Very high83 Ų8385.5 Ų85.539%0.38844%0.444SS..  trans-110.3132.1179.2-68.2-176.8-164.600110.3L209 P210 E211L209-E213 HydrophobicContact CB-CB 4.23Å; L209-E213 HydrophobicContact CD1-CB 4.38Å; P210-E213 PolarHBondContact O-N 3.1Å; E211-E213 VanDerWaalsContact C-N 3.3Å
214H88.7Confident90.6Very high95 Ų9581 Ų8144%0.4443%0.43SS..  trans-111.4-13.5-174.8-58.3-66.5000113.6P198P198-H214 HydrophobicContact CB-CB 3.73Å
215Q91.4Very high90.7Very high56 Ų5684 Ų8426%0.26245%0.445SS..SBendtrans-145.3139.8173.5-61.3-170.5-61.400110D187 N188 P198D187-Q215 WeakPolarHBondContact O-CA 3.12Å; N188-Q215 PolarHBondContact ND2-NE2 3.47Å; P198-Q215 HydrophobicContact CB-CG 3.68Å; P198-Q215 HydrophobicContact CG-CG 3.79Å
216A91.4Very high90.9Very high13 Ų1382.7 Ų82.711%0.10743%0.434CS..PPolyproline II helixtrans-67.3158.9170.500000110.6D187 A189 R191 L209 Y218D187-A216 HydrophobicContact CB-CB 3.88Å; D187-A216 PolarHBondContact O-N 3.44Å; A189-A216 HydrophobicContact CB-CB 3.79Å; R191-A216 PolarHBondContact NH1-O 2.83Å; R191-A216 PolarHBondContact NH2-O 3.23Å; L209-A216 HydrophobicContact CD2-CB 4.27Å; A216-Y218 PolarHBondContact O-N 3.09Å
217P92.3Very high91.1Very high109 Ų10980.9 Ų80.971%0.70843%0.427SS*.PPolyproline II helixtrans-50138.1169.2-26.235.2000111D219P217-D219 PolarHBondContact O-N 3.45Å
218Y93.1Very high91.4Very high138 Ų13880.5 Ų80.554%0.54142%0.422SS..PPolyproline II helixtrans-67.3122.5-178176.6-133.5000110.7A189 R191 A216 P220A189-Y218 WeakPolarHBondContact O-CA 3.43Å; A189-Y218 WeakPolarHBondContact O-CD2 3.31Å; R191-Y218 HydrophobicContact CB-CD2 3.94Å; R191-Y218 HydrophobicContact CB-CE2 3.79Å; R191-Y218 HydrophobicContact CG-CD2 3.28Å; R191-Y218 HydrophobicContact CG-CE2 3.69Å; R191-Y218 HydrophobicContact CG-CG 4.05Å; A216-Y218 PolarHBondContact O-N 3.09Å; Y218-P220 HydrophobicContact CD1-CB 4.48Å; Y218-P220 HydrophobicContact CE1-CB 3.75Å; Y218-P220 HydrophobicContact CE1-CG 4.31Å; Y218-P220 WeakPolarHBondContact O-CD 3.31Å
219D92.6Very high91.7Very high64 Ų6475.2 Ų75.234%0.34239%0.389SS..  trans-107.697.8171.7-177.42.6000110.1A189 P217 T221 G222A189-D219 PolarHBondContact O-N 3.29Å; P217-D219 PolarHBondContact O-N 3.45Å; D219-T221 PolarHBondContact O-N 2.94Å; D219-T221 PolarHBondContact OD1-N 2.97Å; D219-T221 PolarHBondContact OD1-OG1 2.99Å; D219-G222 PolarHBondContact OD1-N 2.71Å; D219-G222 WeakPolarHBondContact OD2-CA 3.23Å; D219-G222 PolarHBondContact OD2-N 2.74Å
220P90.7Very high92Very high91 Ų9176 Ų7659%0.59139%0.394SS*.SBendtrans-70.7-16.1178.728.4-34.5000113.6Y218Y218-P220 HydrophobicContact CD1-CB 4.48Å; Y218-P220 HydrophobicContact CE1-CB 3.75Å; Y218-P220 HydrophobicContact CE1-CG 4.31Å; Y218-P220 WeakPolarHBondContact O-CD 3.31Å
221T92.8Very high92.3Very high119 Ų11973.1 Ų73.173%0.7338%0.375SS*.SBendtrans-102.8-10.9-177.755.30000113.3D219D219-T221 PolarHBondContact O-N 2.94Å; D219-T221 PolarHBondContact OD1-N 2.97Å; D219-T221 PolarHBondContact OD1-OG1 2.99Å
222G90.6Very high92.8Very high22 Ų2269.1 Ų69.123%0.22736%0.357CS..  trans-62.1152-179.200000112.1L190 D219L190-G222 VanDerWaalsContact CD2-C 3.44Å; D219-G222 PolarHBondContact OD1-N 2.71Å; D219-G222 WeakPolarHBondContact OD2-CA 3.23Å; D219-G222 PolarHBondContact OD2-N 2.74Å
223K91.4Very high93Very high175 Ų17563.8 Ų63.876%0.76133%0.328SS*.  trans-131.2142.9173.1-67.1-176-179-178.30109N225K223-N225 PolarHBondContact O-N 2.73Å; K223-N225 VanDerWaalsContact O-N 3.11Å
224P92.5Very high93.1Very high25 Ų2562 Ų6216%0.16233%0.325CS..  trans-60.3117.7173.4-18.830.2000109.9L28 Y184 L190 F227L28-P224 HydrophobicContact CB-CB 4.42Å; L28-P224 HydrophobicContact CD2-CG 4.37Å; Y184-P224 HydrophobicContact CD2-CB 3.67Å; Y184-P224 HydrophobicContact CD2-CG 3.75Å; Y184-P224 HydrophobicContact CE2-CB 4.11Å; Y184-P224 HydrophobicContact CE2-CG 3.66Å; Y184-P224 HydrophobicContact CG-CB 4.23Å; L190-P224 HydrophobicContact CD1-CB 4.36Å; L190-P224 HydrophobicContact CD1-CG 3.59Å; P224-F227 HydrophobicContact CB-CE1 3.76Å; P224-F227 HydrophobicContact CB-CZ 3.8Å; P224-F227 WeakPolarHBondContact O-CZ 3.48Å
225N92.2Very high93.1Very high88 Ų8858.6 Ų58.647%0.47132%0.315SS..  trans-123.5-8.417767.7-17.5000112.9E24 E25 K223E24-N225 CarbonylContact C-O 3.57Å; E24-N225 VanDerWaalsContact CA-O 3.31Å; E24-N225 WeakPolarHBondContact CA-O 3.36Å; E25-N225 PolarHBondContact N-O 2.68Å; K223-N225 PolarHBondContact O-N 2.73Å; K223-N225 VanDerWaalsContact O-N 3.11Å
226R94.1Very high93.1Very high100 Ų10056.1 Ų56.138%0.37730%0.304SS..EExtended strand (participates in β ladder)trans-130.3124.9-176.6-173.7174.2-154-153.58.4110V22 L23 E24 Y184 Y228V22-R226 HydrophobicContact CG1-CG 3.79Å; L23-R226 WeakPolarHBondContact O-CA 3.26Å; E24-R226 HydrophobicContact CG-CB 4.28Å; E24-R226 HydrophobicContact CG-CG 3.83Å; E24-R226 IonicContact OE1-CZ 3.08Å; E24-R226 VanDerWaalsContact OE1-CZ 3.31Å; E24-R226 IonicContact OE1-NE 2.79Å; E24-R226 PolarHBondContact OE1-NE 3.44Å; E24-R226 IonicContact OE1-NH2 2.76Å; E24-R226 PolarHBondContact OE1-NH2 3.25Å; E24-R226 VanDerWaalsContact OE1-NH2 3.07Å; Y184-R226 WeakPolarHBondContact CB-O 3.44Å; R226-Y228 WeakPolarHBondContact CD-OH 3.49Å; R226-Y228 HydrophobicContact CG-CE2 4.44Å; R226-Y228 PolarHBondContact NH1-OH 3.35Å
227F96.6Very high93.2Very high0 Ų055.5 Ų55.50%030%0.299CS..EExtended strand (participates in β ladder)trans-129133.1-175.5-51-85000110.3V22 L23 T26 L28 A31 F182 E183 Y184 P224 F229V22-F227 CarbonylContact C-O 3.55Å; V22-F227 WeakPolarHBondContact CA-O 3.28Å; L23-F227 HydrophobicContact CB-CB 4.4Å; L23-F227 PolarHBondContact N-O 3Å; L23-F227 WeakPolarHBondContact O-CD2 3.49Å; L23-F227 PolarHBondContact O-N 2.84Å; T26-F227 VanDerWaalsContact O-CE2 3.23Å; T26-F227 WeakPolarHBondContact O-CE2 3.49Å; L28-F227 HydrophobicContact CB-CE1 3.99Å; L28-F227 HydrophobicContact CB-CZ 4.01Å; L28-F227 HydrophobicContact CD1-CD1 4.27Å; L28-F227 HydrophobicContact CD1-CE1 3.56Å; L28-F227 HydrophobicContact CD1-CZ 4.42Å; L28-F227 HydrophobicContact CG-CE1 4.39Å; A31-F227 HydrophobicContact CB-CB 4.35Å; A31-F227 HydrophobicContact CB-CD1 3.92Å; A31-F227 HydrophobicContact CB-CD2 3.72Å; A31-F227 HydrophobicContact CB-CE1 4.21Å; A31-F227 HydrophobicContact CB-CE2 4.01Å; A31-F227 HydrophobicContact CB-CG 3.69Å; A31-F227 HydrophobicContact CB-CZ 4.25Å; F182-F227 HydrophobicContact CE2-CB 4.11Å; F182-F227 AromaticContact CE2-CD1 3.86Å; F182-F227 HydrophobicContact CE2-CD1 3.86Å; F182-F227 HydrophobicContact CE2-CG 4.24Å; F182-F227 AromaticContact CZ-CD1 3.69Å; F182-F227 HydrophobicContact CZ-CD1 3.69Å; F182-F227 HydrophobicContact CZ-CE1 4.32Å; E183-F227 CarbonylContact O-C 3.46Å; E183-F227 WeakPolarHBondContact O-CA 3.41Å; Y184-F227 HydrophobicContact CD1-CD1 4.46Å; Y184-F227 HydrophobicContact CD1-CE1 4.48Å; Y184-F227 HydrophobicContact CG-CD1 4.28Å; Y184-F227 HydrophobicContact CG-CE1 4.21Å; P224-F227 HydrophobicContact CB-CE1 3.76Å; P224-F227 HydrophobicContact CB-CZ 3.8Å; P224-F227 WeakPolarHBondContact O-CZ 3.48Å; F227-F229 HydrophobicContact CB-CD2 4.23Å; F227-F229 HydrophobicContact CB-CE2 3.74Å
228Y96.5Very high93.2Very high14 Ų1453.7 Ų53.76%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-101.5123.2176.9-52.7-84.2000108.8V22 F182 E183 P186 Y206 R226V22-Y228 HydrophobicContact CB-CD1 4.47Å; V22-Y228 HydrophobicContact CG1-CD1 4.06Å; V22-Y228 HydrophobicContact CG1-CE1 4Å; V22-Y228 HydrophobicContact CG2-CD1 3.74Å; V22-Y228 HydrophobicContact CG2-CE1 4.01Å; F182-Y228 WeakPolarHBondContact CA-O 3.43Å; E183-Y228 PolarHBondContact N-O 3.42Å; E183-Y228 PolarHBondContact O-N 3.05Å; P186-Y228 HydrophobicContact CG-CE2 4.04Å; Y206-Y228 AromaticContact CD1-CD1 3.27Å; Y206-Y228 HydrophobicContact CD1-CD1 3.27Å; Y206-Y228 AromaticContact CD1-CE1 3.51Å; Y206-Y228 HydrophobicContact CD1-CE1 3.51Å; Y206-Y228 AromaticContact CD1-CG 3.93Å; Y206-Y228 HydrophobicContact CD1-CG 3.93Å; Y206-Y228 AromaticContact CD2-CD1 3.84Å; Y206-Y228 HydrophobicContact CD2-CD1 3.84Å; Y206-Y228 AromaticContact CD2-CD2 3.97Å; Y206-Y228 HydrophobicContact CD2-CD2 3.97Å; Y206-Y228 HydrophobicContact CD2-CE1 4.45Å; Y206-Y228 AromaticContact CD2-CG 3.58Å; Y206-Y228 HydrophobicContact CD2-CG 3.58Å; Y206-Y228 AromaticContact CE1-CD1 3.59Å; Y206-Y228 HydrophobicContact CE1-CD1 3.59Å; Y206-Y228 HydrophobicContact CE1-CE1 4.23Å; Y206-Y228 HydrophobicContact CE1-CG 4.19Å; Y206-Y228 HydrophobicContact CE2-CD1 4.15Å; Y206-Y228 AromaticContact CE2-CG 3.9Å; Y206-Y228 HydrophobicContact CE2-CG 3.9Å; Y206-Y228 AromaticContact CG-CD1 3.4Å; Y206-Y228 HydrophobicContact CG-CD1 3.4Å; Y206-Y228 VanDerWaalsContact CG-CD1 3.4Å; Y206-Y228 HydrophobicContact CG-CD2 4Å; Y206-Y228 AromaticContact CG-CE1 3.63Å; Y206-Y228 HydrophobicContact CG-CE1 3.63Å; Y206-Y228 HydrophobicContact CG-CE2 4.18Å; Y206-Y228 AromaticContact CG-CG 3.61Å; Y206-Y228 HydrophobicContact CG-CG 3.61Å; Y206-Y228 AromaticContact CG-CZ 4Å; R226-Y228 WeakPolarHBondContact CD-OH 3.49Å; R226-Y228 HydrophobicContact CG-CE2 4.44Å; R226-Y228 PolarHBondContact NH1-OH 3.35Å
229F96.8Very high93.3Very high1 Ų147.1 Ų47.10%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-112.1140177.8-76.9-98.9000110.4K20 F21 L23 A31 R35 G181 F182 F227K20-F229 VanDerWaalsContact CA-O 3.28Å; K20-F229 WeakPolarHBondContact CA-O 3.46Å; F21-F229 HydrophobicContact CD1-CB 3.84Å; F21-F229 HydrophobicContact CD2-CB 4.11Å; F21-F229 HydrophobicContact CD2-CD2 4.26Å; F21-F229 HydrophobicContact CD2-CG 4.43Å; F21-F229 HydrophobicContact CE1-CB 3.44Å; F21-F229 VanDerWaalsContact CE1-CB 3.44Å; F21-F229 HydrophobicContact CE1-CD1 4.46Å; F21-F229 HydrophobicContact CE1-CG 4.01Å; F21-F229 HydrophobicContact CE2-CB 3.73Å; F21-F229 HydrophobicContact CE2-CD1 4.43Å; F21-F229 AromaticContact CE2-CD2 3.57Å; F21-F229 HydrophobicContact CE2-CD2 3.57Å; F21-F229 HydrophobicContact CE2-CE2 4.25Å; F21-F229 AromaticContact CE2-CG 3.67Å; F21-F229 HydrophobicContact CE2-CG 3.67Å; F21-F229 HydrophobicContact CG-CB 4.16Å; F21-F229 HydrophobicContact CZ-CB 3.39Å; F21-F229 AromaticContact CZ-CD1 3.85Å; F21-F229 HydrophobicContact CZ-CD1 3.85Å; F21-F229 AromaticContact CZ-CD2 3.84Å; F21-F229 HydrophobicContact CZ-CD2 3.84Å; F21-F229 AromaticContact CZ-CG 3.43Å; F21-F229 HydrophobicContact CZ-CG 3.43Å; F21-F229 VanDerWaalsContact CZ-CG 3.43Å; F21-F229 PolarHBondContact N-O 2.99Å; F21-F229 PolarHBondContact O-N 3.07Å; L23-F229 HydrophobicContact CB-CD2 4.27Å; L23-F229 HydrophobicContact CB-CE2 4.03Å; L23-F229 HydrophobicContact CD2-CE2 3.99Å; A31-F229 HydrophobicContact CB-CE2 4.3Å; A31-F229 HydrophobicContact CB-CZ 4.09Å; A31-F229 WeakPolarHBondContact O-CZ 3.06Å; R35-F229 HydrophobicContact CB-CE1 4.02Å; G181-F229 WeakPolarHBondContact O-CA 3.31Å; F182-F229 HydrophobicContact CD2-CD1 4.2Å; F182-F229 HydrophobicContact CD2-CD2 4.49Å; F182-F229 AromaticContact CD2-CE1 3.65Å; F182-F229 HydrophobicContact CD2-CE1 3.65Å; F182-F229 AromaticContact CD2-CE2 3.97Å; F182-F229 HydrophobicContact CD2-CE2 3.97Å; F182-F229 AromaticContact CD2-CZ 3.52Å; F182-F229 HydrophobicContact CD2-CZ 3.52Å; F182-F229 HydrophobicContact CE2-CE1 4.17Å; F182-F229 AromaticContact CE2-CE2 3.96Å; F182-F229 HydrophobicContact CE2-CE2 3.96Å; F182-F229 AromaticContact CE2-CZ 3.58Å; F182-F229 HydrophobicContact CE2-CZ 3.58Å; F227-F229 HydrophobicContact CB-CD2 4.23Å; F227-F229 HydrophobicContact CB-CE2 3.74Å
230N96.3Very high93.3Very high43 Ų4351.4 Ų51.423%0.2327%0.266CS..EExtended strand (participates in β ladder)trans-134.5106.8168.7179.710.1000108N18 K20 V180 G181N18-N230 VanDerWaalsContact CG-OD1 3.22Å; N18-N230 PolarHBondContact ND2-OD1 3.18Å; N18-N230 PolarHBondContact OD1-OD1 3.04Å; K20-N230 HydrophobicContact CG-CB 4.2Å; V180-N230 CarbonylContact C-O 3.43Å; V180-N230 WeakPolarHBondContact CA-O 3.37Å; G181-N230 PolarHBondContact N-O 3.22Å; G181-N230 PolarHBondContact O-N 2.86Å
231I96.1Very high93.4Very high1 Ų148.4 Ų48.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-106.4118.1-179.9-62171.1000108.5N18 I19 F21 T177 V180 I242 I243N18-I231 CarbonylContact C-O 3.58Å; N18-I231 VanDerWaalsContact CA-O 3.31Å; N18-I231 WeakPolarHBondContact CA-O 3.43Å; I19-I231 HydrophobicContact CG2-CB 3.74Å; I19-I231 HydrophobicContact CG2-CG2 4.41Å; I19-I231 PolarHBondContact N-O 2.85Å; I19-I231 PolarHBondContact O-N 2.88Å; F21-I231 HydrophobicContact CE1-CD1 3.89Å; F21-I231 HydrophobicContact CE1-CG1 4.49Å; F21-I231 HydrophobicContact CZ-CD1 4.42Å; T177-I231 HydrophobicContact CG2-CG2 4.08Å; V180-I231 HydrophobicContact CG1-CG1 3.92Å; V180-I231 HydrophobicContact CG2-CG1 4.33Å; V180-I231 HydrophobicContact CG2-CG2 4.41Å; I231-I242 HydrophobicContact CG2-CG2 4.41Å; I231-I243 HydrophobicContact CD1-CD1 3.98Å; I231-I243 HydrophobicContact CD1-CG1 3.56Å
232E95.1Very high93.6Very high92 Ų9242.7 Ų42.743%0.4321%0.214SC..EExtended strand (participates in β ladder)trans-106128.3176-169.2-177.8-178.700109.6E17 T177 A178 G179E17-E232 CarbonylContact O-C 3.58Å; E17-E232 VanDerWaalsContact O-CA 3.31Å; E17-E232 WeakPolarHBondContact O-CA 3.36Å; T177-E232 CarbonylContact C-O 3.5Å; T177-E232 VanDerWaalsContact CA-O 3.32Å; T177-E232 WeakPolarHBondContact CA-O 3.32Å; A178-E232 HydrophobicContact CB-CB 4.41Å; A178-E232 HydrophobicContact CB-CG 4.08Å; A178-E232 PolarHBondContact N-O 2.91Å; G179-E232 PolarHBondContact N-O 3.1Å; G179-E232 PolarHBondContact O-N 2.83Å
233T94Very high93.7Very high10 Ų1042.8 Ų42.86%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-89.7152.3179-178.40000112E17 P176 G235 L237 P239E17-T233 WeakPolarHBondContact O-CG2 3.03Å; E17-T233 PolarHBondContact O-N 2.9Å; P176-T233 PolarHBondContact O-OG1 3.36Å; T233-G235 PolarHBondContact O-N 2.86Å; T233-G235 PolarHBondContact OG1-N 2.82Å; T233-L237 VanDerWaalsContact CB-O 3.29Å; T233-L237 WeakPolarHBondContact CB-O 3.48Å; T233-L237 PolarHBondContact OG1-O 2.93Å; T233-P239 HydrophobicContact CG2-CG 3.89Å
234C90.5Very high93.9Very high47 Ų4739.9 Ų39.932%0.31820%0.197SC..  trans-75.21.7164.9-62.50000113P176 T177 A178 S236P176-C234 PolarHBondContact O-N 3.01Å; T177-C234 PolarHBondContact O-SG 3.21Å; A178-C234 PolarHBondContact N-SG 2.83Å; C234-S236 VanDerWaalsContact C-N 3.3Å; C234-S236 PolarHBondContact O-N 3Å
235G89Confident94Very high22 Ų2239.2 Ų39.223%0.22719%0.193CC..SBendtrans84.8-7.5-174.300000114.8V130 T233 L237V130-G235 WeakPolarHBondContact CG2-O 3.19Å; T233-G235 PolarHBondContact O-N 2.86Å; T233-G235 PolarHBondContact OG1-N 2.82Å; G235-L237 VanDerWaalsContact C-N 3.3Å; G235-L237 PolarHBondContact O-N 2.87Å
236S91Very high94.1Very high4 Ų435 Ų353%0.02817%0.171CC..SBendtrans-65.2-32.8176.262.50000113.7L73 T74 C75 C234L73-S236 VanDerWaalsContact O-CA 3.23Å; L73-S236 WeakPolarHBondContact O-CA 3.39Å; L73-S236 WeakPolarHBondContact O-CB 3.28Å; T74-S236 CarbonylContact C-O 3.53Å; T74-S236 WeakPolarHBondContact CA-O 3.4Å; C75-S236 PolarHBondContact N-O 3.4Å; C234-S236 VanDerWaalsContact C-N 3.3Å; C234-S236 PolarHBondContact O-N 3Å
237L93.3Very high94.2Very high1 Ų134 Ų341%0.00517%0.172CC..SBendtrans-139.7148.2178.2-72.2175.8000109.2V42 P43 D76 V79 P176 T233 G235 I242V42-L237 HydrophobicContact CG1-CD1 3.89Å; P43-L237 WeakPolarHBondContact O-CD1 3.49Å; D76-L237 HydrophobicContact CB-CD2 4.42Å; D76-L237 WeakPolarHBondContact OD1-CA 3.35Å; V79-L237 HydrophobicContact CG1-CD2 4.03Å; P176-L237 HydrophobicContact CB-CD1 3.99Å; T233-L237 VanDerWaalsContact CB-O 3.29Å; T233-L237 WeakPolarHBondContact CB-O 3.48Å; T233-L237 PolarHBondContact OG1-O 2.93Å; G235-L237 VanDerWaalsContact C-N 3.3Å; G235-L237 PolarHBondContact O-N 2.87Å; L237-I242 HydrophobicContact CB-CD1 4.32Å; L237-I242 HydrophobicContact CB-CG1 3.85Å; L237-I242 HydrophobicContact CD1-CG1 4.36Å
238Q92.8Very high94.1Very high70 Ų7037.3 Ų37.333%0.32719%0.192SC..  trans-63.6143.7171.2-68.1-63.2-48.600110.6N16 D76 R240 A241 I242N16-Q238 PolarHBondContact O-OE1 3.49Å; D76-Q238 WeakPolarHBondContact OD1-CB 3.39Å; D76-Q238 WeakPolarHBondContact OD1-CG 3.49Å; D76-Q238 PolarHBondContact OD1-N 3.38Å; Q238-R240 PolarHBondContact O-N 3.1Å; Q238-R240 VanDerWaalsContact O-N 3.11Å; Q238-A241 HydrophobicContact CB-CB 4.32Å; Q238-A241 WeakPolarHBondContact O-CA 3.41Å; Q238-A241 WeakPolarHBondContact O-CB 3.42Å; Q238-A241 PolarHBondContact O-N 2.62Å; Q238-I242 PolarHBondContact O-N 3.41Å; Q238-I242 VanDerWaalsContact O-N 3.12Å
239P94Very high94Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-54.5-37.4180-23.729.1000112.9N16 I19 T233 I242 I243N16-P239 WeakPolarHBondContact O-CD 3.03Å; I19-P239 HydrophobicContact CB-CB 3.83Å; I19-P239 HydrophobicContact CG2-CB 3.45Å; I19-P239 VanDerWaalsContact CG2-CB 3.45Å; T233-P239 HydrophobicContact CG2-CG 3.89Å; P239-I242 PolarHBondContact O-N 3.48Å; P239-I243 PolarHBondContact O-N 3.18Å
240R93.5Very high94Very high154 Ų15439.3 Ų39.358%0.58121%0.205SC*.Hα-helixtrans-60.9-47.1174.4-177.2177174.31782.3111.6F14 Q238 I242 I243 F244F14-R240 HydrophobicContact CE2-CB 4.27Å; Q238-R240 PolarHBondContact O-N 3.1Å; Q238-R240 VanDerWaalsContact O-N 3.11Å; R240-I242 VanDerWaalsContact C-N 3.27Å; R240-I242 PolarHBondContact O-N 3.46Å; R240-I243 PolarHBondContact O-N 3.43Å; R240-F244 HydrophobicContact CG-CD2 3.64Å; R240-F244 HydrophobicContact CG-CE2 3.55Å; R240-F244 VanDerWaalsContact O-CD2 3.25Å; R240-F244 WeakPolarHBondContact O-CD2 3.42Å; R240-F244 PolarHBondContact O-N 3.24Å; R240-F244 VanDerWaalsContact O-N 3.12Å
241A93.3Very high94Very high28 Ų2844.7 Ų44.723%0.23123%0.226CC..Hα-helixtrans-61.4-37.2-179.900000111.5Q238 F244 S245Q238-A241 HydrophobicContact CB-CB 4.32Å; Q238-A241 WeakPolarHBondContact O-CA 3.41Å; Q238-A241 WeakPolarHBondContact O-CB 3.42Å; Q238-A241 PolarHBondContact O-N 2.62Å; A241-F244 PolarHBondContact O-N 3.19Å; A241-S245 WeakPolarHBondContact O-CB 3.31Å; A241-S245 PolarHBondContact O-N 3.09Å; A241-S245 PolarHBondContact O-OG 3.15Å
242I95.4Very high93.9Very high0 Ų050.9 Ų50.90%025%0.249CC..Hα-helixtrans-60.6-47.3176.2-62174.5000111C38 V42 P176 T177 I231 L237 Q238 P239 R240 S245 G246C38-I242 HydrophobicContact CB-CG2 4.02Å; V42-I242 HydrophobicContact CG1-CG2 4.47Å; V42-I242 HydrophobicContact CG2-CG2 4.09Å; V42-I242 WeakPolarHBondContact CG2-O 3.27Å; P176-I242 HydrophobicContact CB-CD1 4.04Å; P176-I242 HydrophobicContact CB-CG1 4.24Å; P176-I242 HydrophobicContact CG-CD1 4.44Å; P176-I242 HydrophobicContact CG-CG1 4.44Å; T177-I242 HydrophobicContact CG2-CD1 3.98Å; T177-I242 HydrophobicContact CG2-CG2 3.85Å; I231-I242 HydrophobicContact CG2-CG2 4.41Å; L237-I242 HydrophobicContact CB-CD1 4.32Å; L237-I242 HydrophobicContact CB-CG1 3.85Å; L237-I242 HydrophobicContact CD1-CG1 4.36Å; Q238-I242 PolarHBondContact O-N 3.41Å; Q238-I242 VanDerWaalsContact O-N 3.12Å; P239-I242 PolarHBondContact O-N 3.48Å; R240-I242 VanDerWaalsContact C-N 3.27Å; R240-I242 PolarHBondContact O-N 3.46Å; I242-S245 PolarHBondContact O-N 3.26Å; I242-G246 PolarHBondContact O-N 2.74Å
243I94.3Very high93.9Very high24 Ų2451 Ų5112%0.12325%0.248CC..Hα-helixtrans-62.6-51.4179.2-64.6172.4000111I19 F21 I231 P239 R240 S245 G246 L247I19-I243 HydrophobicContact CD1-CD1 3.74Å; I19-I243 HydrophobicContact CG1-CD1 4.31Å; I19-I243 HydrophobicContact CG2-CD1 3.75Å; F21-I243 HydrophobicContact CD1-CD1 4.05Å; F21-I243 HydrophobicContact CE1-CD1 3.58Å; F21-I243 HydrophobicContact CE1-CG1 4.39Å; F21-I243 HydrophobicContact CZ-CD1 4.34Å; I231-I243 HydrophobicContact CD1-CD1 3.98Å; I231-I243 HydrophobicContact CD1-CG1 3.56Å; P239-I243 PolarHBondContact O-N 3.18Å; R240-I243 PolarHBondContact O-N 3.43Å; I243-S245 VanDerWaalsContact C-N 3.32Å; I243-S245 PolarHBondContact O-N 3.1Å; I243-G246 PolarHBondContact O-N 3.19Å; I243-L247 HydrophobicContact CG2-CD1 4.14Å; I243-L247 WeakPolarHBondContact O-CG 3.45Å; I243-L247 PolarHBondContact O-N 3.4Å
244F94.3Very high94Very high113 Ų11356.2 Ų56.250%0.49628%0.275SS..Hα-helixtrans-63-40.3-179-80-74.3000112R240 A241 T248R240-F244 HydrophobicContact CG-CD2 3.64Å; R240-F244 HydrophobicContact CG-CE2 3.55Å; R240-F244 VanDerWaalsContact O-CD2 3.25Å; R240-F244 WeakPolarHBondContact O-CD2 3.42Å; R240-F244 PolarHBondContact O-N 3.24Å; R240-F244 VanDerWaalsContact O-N 3.12Å; A241-F244 PolarHBondContact O-N 3.19Å; F244-T248 WeakPolarHBondContact O-CB 3.14Å; F244-T248 PolarHBondContact O-N 2.83Å; F244-T248 PolarHBondContact O-OG1 2.9Å
245S94.5Very high94.2Very high12 Ų1258 Ų588%0.08428%0.279CS..Hα-helixtrans-64-43.5175.1-62.90000111A241 I242 I243 L247 T248 V249A241-S245 WeakPolarHBondContact O-CB 3.31Å; A241-S245 PolarHBondContact O-N 3.09Å; A241-S245 PolarHBondContact O-OG 3.15Å; I242-S245 PolarHBondContact O-N 3.26Å; I243-S245 VanDerWaalsContact C-N 3.32Å; I243-S245 PolarHBondContact O-N 3.1Å; S245-L247 PolarHBondContact O-N 3.34Å; S245-T248 WeakPolarHBondContact O-CB 3.42Å; S245-T248 PolarHBondContact O-N 3.05Å; S245-T248 VanDerWaalsContact O-N 3.17Å; S245-V249 WeakPolarHBondContact O-CG2 3.48Å; S245-V249 PolarHBondContact O-N 2.87Å
246G94.8Very high94.5Very high0 Ų060.9 Ų60.90%029%0.289CS..Hα-helixtrans-62.6-44.3178.500000112.4V37 I242 I243 T248 V249 L250V37-G246 VanDerWaalsContact CG1-O 3.31Å; V37-G246 WeakPolarHBondContact CG1-O 3.47Å; I242-G246 PolarHBondContact O-N 2.74Å; I243-G246 PolarHBondContact O-N 3.19Å; G246-T248 VanDerWaalsContact C-N 3.31Å; G246-T248 PolarHBondContact O-N 3.28Å; G246-V249 PolarHBondContact O-N 2.81Å; G246-L250 PolarHBondContact O-N 3Å
247L95.2Very high94.7Very high77 Ų7765.5 Ų65.540%0.40331%0.313SS..Hα-helixtrans-62.8-38.9173.5-67.7175.8000111.9I34 I243 S245 V249 L250 K251I34-L247 HydrophobicContact CD1-CD2 4.13Å; I34-L247 HydrophobicContact CG1-CD2 4.07Å; I243-L247 HydrophobicContact CG2-CD1 4.14Å; I243-L247 WeakPolarHBondContact O-CG 3.45Å; I243-L247 PolarHBondContact O-N 3.4Å; S245-L247 PolarHBondContact O-N 3.34Å; L247-V249 VanDerWaalsContact C-N 3.35Å; L247-L250 PolarHBondContact O-N 2.83Å; L247-K251 WeakPolarHBondContact O-CB 3.42Å; L247-K251 PolarHBondContact O-N 3.11Å
248T95.5Very high94.7Very high70 Ų7069.9 Ų69.943%0.42934%0.336SS..Hα-helixtrans-64.3-39.5176.2-60.30000111.8F244 S245 G246 K251 R252F244-T248 WeakPolarHBondContact O-CB 3.14Å; F244-T248 PolarHBondContact O-N 2.83Å; F244-T248 PolarHBondContact O-OG1 2.9Å; S245-T248 WeakPolarHBondContact O-CB 3.42Å; S245-T248 PolarHBondContact O-N 3.05Å; S245-T248 VanDerWaalsContact O-N 3.17Å; G246-T248 VanDerWaalsContact C-N 3.31Å; G246-T248 PolarHBondContact O-N 3.28Å; T248-K251 PolarHBondContact O-N 2.85Å; T248-R252 WeakPolarHBondContact O-CB 3.38Å; T248-R252 PolarHBondContact O-N 3.26Å
249V95.3Very high94.8Very high19 Ų1969.6 Ų69.612%0.11534%0.337CS..Hα-helixtrans-63.9-46.1175169.70000110.9V37 E41 S245 G246 L247 K251 R252 K253V37-V249 HydrophobicContact CG1-CB 3.89Å; V37-V249 HydrophobicContact CG1-CG1 3.83Å; E41-V249 HydrophobicContact CB-CG1 3.99Å; E41-V249 WeakPolarHBondContact OE2-CG1 3.43Å; S245-V249 WeakPolarHBondContact O-CG2 3.48Å; S245-V249 PolarHBondContact O-N 2.87Å; G246-V249 PolarHBondContact O-N 2.81Å; L247-V249 VanDerWaalsContact C-N 3.35Å; V249-K251 PolarHBondContact O-N 3.13Å; V249-R252 PolarHBondContact O-N 2.78Å; V249-K253 HydrophobicContact CG1-CD 4.48Å; V249-K253 WeakPolarHBondContact O-CG 3.26Å; V249-K253 PolarHBondContact O-N 3.13Å
250L95.4Very high94.9Very high39 Ų3973.9 Ų73.920%0.20436%0.36CS..Hα-helixtrans-58.8-46.6175.1-78.5171.8000111.7A33 I34 V37 G246 L247 R252 K253 L254A33-L250 HydrophobicContact CB-CD2 4.44Å; I34-L250 HydrophobicContact CG1-CD1 3.87Å; V37-L250 HydrophobicContact CB-CG 4.23Å; V37-L250 HydrophobicContact CG1-CG 4.23Å; V37-L250 HydrophobicContact CG2-CD1 4.43Å; V37-L250 HydrophobicContact CG2-CD2 3.6Å; V37-L250 HydrophobicContact CG2-CG 3.84Å; G246-L250 PolarHBondContact O-N 3Å; L247-L250 PolarHBondContact O-N 2.83Å; L250-R252 PolarHBondContact O-N 3.36Å; L250-K253 PolarHBondContact O-N 2.92Å; L250-L254 PolarHBondContact O-N 3.2Å; L250-L254 VanDerWaalsContact O-N 3.16Å
251K95.9Very high94.9Very high156 Ų15670.1 Ų70.168%0.67835%0.351SS*.Hα-helixtrans-58.8-46.5176.1-177.5-179.9177.4-179.10111.6L247 T248 V249 K253 L254 Q255L247-K251 WeakPolarHBondContact O-CB 3.42Å; L247-K251 PolarHBondContact O-N 3.11Å; T248-K251 PolarHBondContact O-N 2.85Å; V249-K251 PolarHBondContact O-N 3.13Å; K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 2.97Å; K251-L254 PolarHBondContact O-N 2.92Å; K251-Q255 PolarHBondContact O-N 2.93Å
252R95.3Very high94.9Very high130 Ų13073 Ų7349%0.49137%0.365SS..Hα-helixtrans-61.6-40.3179.4-171.4-178.2-60.7159.73.6111.8T248 V249 L250 Q255 N256T248-R252 WeakPolarHBondContact O-CB 3.38Å; T248-R252 PolarHBondContact O-N 3.26Å; V249-R252 PolarHBondContact O-N 2.78Å; L250-R252 PolarHBondContact O-N 3.36Å; R252-Q255 PolarHBondContact O-N 3.33Å; R252-N256 WeakPolarHBondContact O-CB 3.35Å; R252-N256 PolarHBondContact O-N 3.3Å; R252-N256 PolarHBondContact O-OD1 3.19Å
253K95.1Very high94.8Very high94 Ų9480.3 Ų80.341%0.40940%0.4SS..Hα-helixtrans-61.3-44.6176-77.3176.7158.3-171.90112.7E41 V249 L250 K251 N256 L257E41-K253 IonicContact OE1-NZ 2.87Å; E41-K253 PolarHBondContact OE1-NZ 2.79Å; E41-K253 WeakPolarHBondContact OE2-CE 3.45Å; E41-K253 IonicContact OE2-NZ 3.17Å; E41-K253 PolarHBondContact OE2-NZ 3.17Å; V249-K253 HydrophobicContact CG1-CD 4.48Å; V249-K253 WeakPolarHBondContact O-CG 3.26Å; V249-K253 PolarHBondContact O-N 3.13Å; L250-K253 PolarHBondContact O-N 2.92Å; K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 2.97Å; K253-N256 PolarHBondContact O-N 2.84Å; K253-L257 PolarHBondContact O-N 2.69Å
254L94.9Very high94.6Very high121 Ų12186.9 Ų86.963%0.63443%0.43SS*.Hα-helixtrans-66.9-39177.3-66.7175.7000111.4L250 K251 L257 L258L250-L254 PolarHBondContact O-N 3.2Å; L250-L254 VanDerWaalsContact O-N 3.16Å; K251-L254 PolarHBondContact O-N 2.92Å; L254-L257 PolarHBondContact O-N 3.26Å; L254-L258 PolarHBondContact O-N 2.87Å
255Q96.1Very high94.2Very high84 Ų8484.8 Ų84.839%0.39344%0.44SS..Hα-helixtrans-62.4-48.9174.5-172.663.352.400111.6K251 R252 L257 L258 D259K251-Q255 PolarHBondContact O-N 2.93Å; R252-Q255 PolarHBondContact O-N 3.33Å; Q255-L257 PolarHBondContact O-N 2.95Å; Q255-L258 WeakPolarHBondContact O-CB 3.26Å; Q255-L258 PolarHBondContact O-N 3.35Å; Q255-D259 PolarHBondContact NE2-OD1 2.84Å; Q255-D259 PolarHBondContact O-N 2.93Å
256N94.9Very high92.9Very high83 Ų8392.7 Ų92.744%0.44448%0.48SS..Hα-helixtrans-58.8-37.9177.7-69-0.9000111.8R252 K253 N260R252-N256 WeakPolarHBondContact O-CB 3.35Å; R252-N256 PolarHBondContact O-N 3.3Å; R252-N256 PolarHBondContact O-OD1 3.19Å; K253-N256 PolarHBondContact O-N 2.84Å; N256-N260 WeakPolarHBondContact O-CB 3.49Å; N256-N260 PolarHBondContact O-N 3.29Å; N256-N260 PolarHBondContact O-ND2 3.1Å
257L94.1Very high92.9Very high100 Ų10097.4 Ų97.452%0.52450%0.504SS..Hα-helixtrans-64.6-45.9175-177.966.3000111.3K253 L254 Q255 N260 L261K253-L257 PolarHBondContact O-N 2.69Å; L254-L257 PolarHBondContact O-N 3.26Å; Q255-L257 PolarHBondContact O-N 2.95Å; L257-N260 PolarHBondContact O-N 3.07Å; L257-L261 HydrophobicContact CG-CD1 4.22Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.19Å; L257-L261 PolarHBondContact O-N 2.74Å
258L94.6Very high92.7Very high94 Ų9498.4 Ų98.449%0.49251%0.51SS..Hα-helixtrans-60.8-44.3177.4-179.663.4000111.7L254 Q255 L261 T262L254-L258 PolarHBondContact O-N 2.87Å; Q255-L258 WeakPolarHBondContact O-CB 3.26Å; Q255-L258 PolarHBondContact O-N 3.35Å; L258-L261 PolarHBondContact O-N 2.85Å; L258-T262 PolarHBondContact O-N 2.92Å; L258-T262 PolarHBondContact O-OG1 3.27Å
259D95.1Very high92.6Very high64 Ų64100 Ų10034%0.34251%0.514SS..Hα-helixtrans-63.3-43.7179.6-63.6-20.4000111.1Q255 T262 Q263Q255-D259 PolarHBondContact NE2-OD1 2.84Å; Q255-D259 PolarHBondContact O-N 2.93Å; D259-T262 PolarHBondContact O-N 2.97Å; D259-Q263 WeakPolarHBondContact O-CG 3.35Å; D259-Q263 PolarHBondContact O-N 2.5Å
260N94.6Very high92.4Very high90 Ų90104.8 Ų104.848%0.48154%0.538SS..Hα-helixtrans-64.3-40.3176.9-70.5-19.3000112N256 L257 T262 Q263 E264N256-N260 WeakPolarHBondContact O-CB 3.49Å; N256-N260 PolarHBondContact O-N 3.29Å; N256-N260 PolarHBondContact O-ND2 3.1Å; L257-N260 PolarHBondContact O-N 3.07Å; N260-T262 VanDerWaalsContact C-N 3.34Å; N260-Q263 PolarHBondContact O-N 2.84Å; N260-E264 WeakPolarHBondContact O-CG 3.04Å; N260-E264 PolarHBondContact O-N 3.42Å
261L94.4Very high92.2Very high75 Ų75108.9 Ų108.939%0.39356%0.558SS.*Hα-helixtrans-64.9-40.5176.3-70.9170.4000111.7L257 L258 Q263 E264 G265 L266L257-L261 HydrophobicContact CG-CD1 4.22Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.19Å; L257-L261 PolarHBondContact O-N 2.74Å; L258-L261 PolarHBondContact O-N 2.85Å; L261-Q263 VanDerWaalsContact C-N 3.32Å; L261-Q263 PolarHBondContact O-N 2.88Å; L261-E264 PolarHBondContact O-N 3.43Å; L261-G265 PolarHBondContact O-N 3.03Å; L261-L266 HydrophobicContact CD2-CD1 3.95Å; L261-L266 PolarHBondContact O-N 3.19Å
262T93.5Very high92Very high88 Ų88105.7 Ų105.754%0.5455%0.55SS.*Hα-helixtrans-65.6-36178.1-510000111.4L258 D259 N260 E264 G265L258-T262 PolarHBondContact O-N 2.92Å; L258-T262 PolarHBondContact O-OG1 3.27Å; D259-T262 PolarHBondContact O-N 2.97Å; N260-T262 VanDerWaalsContact C-N 3.34Å; T262-E264 VanDerWaalsContact C-N 3.34Å; T262-G265 PolarHBondContact O-N 3.46Å; T262-G265 VanDerWaalsContact O-N 3.17Å
263Q92.3Very high91.7Very high154 Ų154104 Ų10472%0.7256%0.555SS**Hα-helixtrans-66.1-34.3175.7-74.2174.32300112.9D259 N260 L261 G265D259-Q263 WeakPolarHBondContact O-CG 3.35Å; D259-Q263 PolarHBondContact O-N 2.5Å; N260-Q263 PolarHBondContact O-N 2.84Å; L261-Q263 VanDerWaalsContact C-N 3.32Å; L261-Q263 PolarHBondContact O-N 2.88Å; Q263-G265 PolarHBondContact O-N 2.59Å
264E91.7Very high91.5Very high162 Ų162104.8 Ų104.876%0.75757%0.566SS**THydrogen-bonded Turntrans-76.3-0.8174.9-65.7-64.9150.600113N260 L261 T262N260-E264 WeakPolarHBondContact O-CG 3.04Å; N260-E264 PolarHBondContact O-N 3.42Å; L261-E264 PolarHBondContact O-N 3.43Å; T262-E264 VanDerWaalsContact C-N 3.34Å
265G85.5Confident91.2Very high68 Ų68103.4 Ų103.470%0.70156%0.56SS**THydrogen-bonded Turntrans83.521.7175.900000115L261 T262 Q263L261-G265 PolarHBondContact O-N 3.03Å; T262-G265 PolarHBondContact O-N 3.46Å; T262-G265 VanDerWaalsContact O-N 3.17Å; Q263-G265 PolarHBondContact O-N 2.59Å
266L67.6Low90.8Very high179 Ų179105.2 Ų105.294%0.93758%0.575SS**  trans-89.60167.8-70.2171.4000112.4L261L261-L266 HydrophobicContact CD2-CD1 3.95Å; L261-L266 PolarHBondContact O-N 3.19Å

Retrieved 266 of 266 residues in 101.4 ms (Link to these results)

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