A0A077ZGW8_TRITR Loading...

Phosphopantetheine adenylyltransferase

AlphaFold DB , UniProt , Accession A0A077ZGW8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 667 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
1M90.3Very high94.7Very high60 Ų6040.3 Ų40.330%0.29620%0.201SC..  0-48.10-67.8-51-74.700114.5H3 M4 D5 Y110 I113 Y131 P133M1-H3 PolarHBondContact O-N 3.46Å; M1-M4 WeakPolarHBondContact O-CA 3.47Å; M1-M4 WeakPolarHBondContact O-CB 3.4Å; M1-M4 PolarHBondContact O-N 3.06Å; M1-D5 PolarHBondContact O-N 2.79Å; M1-Y110 HydrophobicContact CB-CD1 3.95Å; M1-Y110 HydrophobicContact CB-CE1 3.74Å; M1-I113 HydrophobicContact CB-CD1 4.42Å; M1-Y131 WeakPolarHBondContact CG-O 3.42Å; M1-Y131 PolarHBondContact N-O 3.11Å; M1-P133 HydrophobicContact SD-CG 4.43Å
2G91.5Very high94.9Very high18 Ų1851.3 Ų51.319%0.18625%0.247CC..Hα-helixtrans-54.9-41.9-177.900000115.7T6G2-T6 PolarHBondContact O-N 2.86Å; G2-T6 PolarHBondContact O-OG1 3.35Å
3H93.3Very high95.1Very high141 Ų14155.7 Ų55.765%0.65327%0.271SS*.Hα-helixtrans-66.5-38172.7-67-56.6000112.9M1 D5 T6 I7M1-H3 PolarHBondContact O-N 3.46Å; H3-D5 PolarHBondContact O-N 2.93Å; H3-T6 PolarHBondContact O-N 2.83Å; H3-I7 WeakPolarHBondContact O-CD1 3.42Å; H3-I7 VanDerWaalsContact O-CG1 3.26Å; H3-I7 WeakPolarHBondContact O-CG1 3.15Å; H3-I7 PolarHBondContact O-N 2.88Å
4M94.3Very high95.2Very high14 Ų1454.6 Ų54.67%0.06926%0.264CS..Hα-helixtrans-61.7-43.5178.3-171.658.87100111.3M1 T6 I7 E8 S43 V44 I47 P133M1-M4 WeakPolarHBondContact O-CA 3.47Å; M1-M4 WeakPolarHBondContact O-CB 3.4Å; M1-M4 PolarHBondContact O-N 3.06Å; M4-T6 VanDerWaalsContact C-N 3.31Å; M4-T6 PolarHBondContact O-N 3.38Å; M4-I7 PolarHBondContact O-N 2.86Å; M4-I7 VanDerWaalsContact O-N 3.16Å; M4-E8 HydrophobicContact CG-CG 4.28Å; M4-E8 WeakPolarHBondContact O-CB 3.38Å; M4-E8 WeakPolarHBondContact O-CG 3.37Å; M4-E8 PolarHBondContact O-N 3.19Å; M4-E8 HydrophobicContact SD-CG 4.23Å; M4-S43 WeakPolarHBondContact CE-O 3.25Å; M4-V44 HydrophobicContact CE-CG1 4.02Å; M4-V44 HydrophobicContact SD-CG1 4.25Å; M4-I47 HydrophobicContact SD-CD1 4.42Å; M4-P133 HydrophobicContact CE-CB 4.25Å; M4-P133 HydrophobicContact CE-CG 3.96Å
5D94.1Very high95.3Very high13 Ų1362 Ų627%0.0731%0.306CS..Hα-helixtrans-56.3-45174.5179.874000112.2M1 H3 I7 R9 Y110M1-D5 PolarHBondContact O-N 2.79Å; H3-D5 PolarHBondContact O-N 2.93Å; D5-I7 PolarHBondContact O-N 2.87Å; D5-R9 WeakPolarHBondContact O-CB 3.43Å; D5-R9 WeakPolarHBondContact O-CD 3.47Å; D5-R9 VanDerWaalsContact O-CG 3.25Å; D5-R9 WeakPolarHBondContact O-CG 3.42Å; D5-R9 PolarHBondContact O-N 2.68Å; D5-R9 WeakPolarHBondContact OD2-CD 2.91Å; D5-R9 IonicContact OD2-NH1 3.09Å; D5-R9 PolarHBondContact OD2-NH1 3.32Å; D5-Y110 HydrophobicContact CB-CD2 3.69Å; D5-Y110 HydrophobicContact CB-CE2 3.67Å
6T94.8Very high95.5Very high18 Ų1864.4 Ų64.411%0.1132%0.316CS..Hα-helixtrans-64.8-41.2178.1-55.20000111.3G2 H3 M4 G10 L73 L104G2-T6 PolarHBondContact O-N 2.86Å; G2-T6 PolarHBondContact O-OG1 3.35Å; H3-T6 PolarHBondContact O-N 2.83Å; M4-T6 VanDerWaalsContact C-N 3.31Å; M4-T6 PolarHBondContact O-N 3.38Å; T6-G10 PolarHBondContact O-N 3.19Å; T6-L73 HydrophobicContact CG2-CD2 4.36Å; T6-L73 HydrophobicContact CG2-CG 4.42Å; T6-L104 HydrophobicContact CG2-CD1 4.44Å
7I96.6Very high95.6Very high24 Ų2461.7 Ų61.712%0.12330%0.303CS..Hα-helixtrans-64.9-49.8178-68.7158.9000110.5H3 M4 D5 R9 G10 A11 L17 I19 V44 I47 V50H3-I7 WeakPolarHBondContact O-CD1 3.42Å; H3-I7 VanDerWaalsContact O-CG1 3.26Å; H3-I7 WeakPolarHBondContact O-CG1 3.15Å; H3-I7 PolarHBondContact O-N 2.88Å; M4-I7 PolarHBondContact O-N 2.86Å; M4-I7 VanDerWaalsContact O-N 3.16Å; D5-I7 PolarHBondContact O-N 2.87Å; I7-R9 VanDerWaalsContact C-N 3.3Å; I7-R9 PolarHBondContact O-N 2.89Å; I7-G10 PolarHBondContact O-N 2.93Å; I7-A11 WeakPolarHBondContact O-CB 3.47Å; I7-A11 PolarHBondContact O-N 3.13Å; I7-L17 HydrophobicContact CG2-CD2 4.11Å; I7-L17 WeakPolarHBondContact O-CD2 3.45Å; I7-I19 HydrophobicContact CD1-CD1 3.53Å; I7-I19 HydrophobicContact CD1-CG1 4.34Å; I7-I19 HydrophobicContact CG1-CD1 3.82Å; I7-I19 HydrophobicContact CG1-CG1 4.26Å; I7-I19 HydrophobicContact CG2-CD1 3.89Å; I7-V44 HydrophobicContact CD1-CG1 4.21Å; I7-V44 HydrophobicContact CG2-CG1 4.14Å; I7-I47 HydrophobicContact CG2-CD1 3.74Å; I7-V50 HydrophobicContact CG2-CG1 4.43Å; I7-V50 HydrophobicContact CG2-CG2 4.2Å
8E96.5Very high95.7Very high74 Ų7460.6 Ų60.635%0.34630%0.298SS..Hα-helixtrans-64.3-34.3-178.9-73.1-178.9164.800112.5M4 K12 H46 I47M4-E8 HydrophobicContact CG-CG 4.28Å; M4-E8 WeakPolarHBondContact O-CB 3.38Å; M4-E8 WeakPolarHBondContact O-CG 3.37Å; M4-E8 PolarHBondContact O-N 3.19Å; M4-E8 HydrophobicContact SD-CG 4.23Å; E8-K12 WeakPolarHBondContact O-CG 3.34Å; E8-H46 IonicContact OE1-CE1 3.35Å; E8-H46 IonicContact OE1-NE2 3.03Å; E8-H46 PolarHBondContact OE1-NE2 3.48Å; E8-I47 HydrophobicContact CG-CD1 3.71Å
9R96.6Very high95.8Very high70 Ų7058.9 Ų58.926%0.26429%0.29SS..Hα-helixtrans-74.8-41.5173.9-70.7167.359.7-161.6-0.3111.6D5 I7 K12 L13 L104 L105D5-R9 WeakPolarHBondContact O-CB 3.43Å; D5-R9 WeakPolarHBondContact O-CD 3.47Å; D5-R9 VanDerWaalsContact O-CG 3.25Å; D5-R9 WeakPolarHBondContact O-CG 3.42Å; D5-R9 PolarHBondContact O-N 2.68Å; D5-R9 WeakPolarHBondContact OD2-CD 2.91Å; D5-R9 IonicContact OD2-NH1 3.09Å; D5-R9 PolarHBondContact OD2-NH1 3.32Å; I7-R9 VanDerWaalsContact C-N 3.3Å; I7-R9 PolarHBondContact O-N 2.89Å; R9-K12 PolarHBondContact O-N 2.88Å; R9-L13 WeakPolarHBondContact O-CG 3.4Å; R9-L104 HydrophobicContact CB-CD1 3.95Å; R9-L105 PolarHBondContact NH1-O 3.02Å; R9-L105 PolarHBondContact NH2-O 3.33Å
10G96.9Very high95.7Very high0 Ų057.6 Ų57.60%029%0.292CS..Hα-helixtrans-59.7-45174.700000112.6T6 I7 K12 L13 F14 L73T6-G10 PolarHBondContact O-N 3.19Å; I7-G10 PolarHBondContact O-N 2.93Å; G10-K12 PolarHBondContact O-N 2.93Å; G10-K12 VanDerWaalsContact O-N 3.09Å; G10-L13 PolarHBondContact O-N 2.88Å; G10-F14 VanDerWaalsContact O-CD2 3.28Å; G10-F14 WeakPolarHBondContact O-CD2 3.01Å; G10-F14 PolarHBondContact O-N 2.82Å; G10-L73 VanDerWaalsContact CA-CD2 3.47Å
11A97.4Very high95.6Very high11 Ų1155.7 Ų55.79%0.09128%0.283CS..THydrogen-bonded Turntrans-62.2-19.3179.800000113.7I7 L17 I47 N49 V50I7-A11 WeakPolarHBondContact O-CB 3.47Å; I7-A11 PolarHBondContact O-N 3.13Å; A11-L17 HydrophobicContact CB-CD2 4.37Å; A11-I47 HydrophobicContact CB-CG2 3.53Å; A11-N49 PolarHBondContact O-ND2 3.29Å; A11-V50 HydrophobicContact CB-CG2 3.9Å
12K97Very high95.6Very high173 Ų17355.8 Ų55.875%0.75228%0.282SS*.THydrogen-bonded Turntrans-85.2-16.6173.1-65.8170.2-173.3172.80113.4E8 R9 G10E8-K12 WeakPolarHBondContact O-CG 3.34Å; R9-K12 PolarHBondContact O-N 2.88Å; G10-K12 PolarHBondContact O-N 2.93Å; G10-K12 VanDerWaalsContact O-N 3.09Å
13L96.6Very high95Very high108 Ų10858.2 Ų58.257%0.56529%0.293SS*.THydrogen-bonded Turntrans-99.6-26.4-175-65.1174.5000113.1R9 G10 L104R9-L13 WeakPolarHBondContact O-CG 3.4Å; G10-L13 PolarHBondContact O-N 2.88Å; L13-L104 HydrophobicContact CD1-CD1 4.32Å; L13-L104 HydrophobicContact CD1-CD2 4.03Å
14F97.1Very high94.1Very high40 Ų4054.5 Ų54.518%0.17528%0.277CS..SBendtrans-120.2147.2-175.6-56.4-76.7000111.1G10 E16 L17 N49 F71 L73 V102G10-F14 VanDerWaalsContact O-CD2 3.28Å; G10-F14 WeakPolarHBondContact O-CD2 3.01Å; G10-F14 PolarHBondContact O-N 2.82Å; F14-E16 VanDerWaalsContact C-N 3.28Å; F14-E16 PolarHBondContact O-N 3.13Å; F14-L17 HydrophobicContact CD2-CD1 4.45Å; F14-N49 PolarHBondContact O-ND2 3.39Å; F14-N49 VanDerWaalsContact O-ND2 3.07Å; F14-F71 HydrophobicContact CD1-CB 4.42Å; F14-F71 HydrophobicContact CD1-CD2 4.09Å; F14-F71 HydrophobicContact CD1-CG 4.38Å; F14-F71 HydrophobicContact CE1-CB 3.67Å; F14-F71 HydrophobicContact CE1-CD1 4.26Å; F14-F71 AromaticContact CE1-CD2 3.75Å; F14-F71 HydrophobicContact CE1-CD2 3.75Å; F14-F71 HydrophobicContact CE1-CE2 4.48Å; F14-F71 AromaticContact CE1-CG 3.62Å; F14-F71 HydrophobicContact CE1-CG 3.62Å; F14-F71 HydrophobicContact CZ-CB 4.1Å; F14-F71 HydrophobicContact CZ-CG 4.4Å; F14-L73 HydrophobicContact CE2-CD1 4.04Å; F14-L73 HydrophobicContact CE2-CD2 4.26Å; F14-V102 HydrophobicContact CZ-CB 4.37Å; F14-V102 HydrophobicContact CZ-CG1 4.45Å; F14-V102 HydrophobicContact CZ-CG2 4.19Å
15D96.8Very high92.8Very high166 Ų16660.7 Ų60.789%0.88832%0.317SS*.SBendtrans-60.1-40.8177.5-58.9-66.9000111.6N49D15-N49 VanDerWaalsContact O-CB 3.31Å; D15-N49 WeakPolarHBondContact O-CB 3.43Å; D15-N49 PolarHBondContact O-ND2 3.49Å
16E97.6Very high91Very high101 Ų10164.6 Ų64.647%0.47235%0.345SS..  trans-135.7137.1174.8-172.7-174.7165.700109.4F14 I18 R51F14-E16 VanDerWaalsContact C-N 3.28Å; F14-E16 PolarHBondContact O-N 3.13Å; E16-I18 HydrophobicContact CG-CG1 4.39Å; E16-R51 IonicContact OE1-CZ 3.77Å; E16-R51 VanDerWaalsContact OE1-CZ 3.27Å; E16-R51 IonicContact OE1-NE 3.86Å; E16-R51 PolarHBondContact OE1-NE 2.94Å; E16-R51 IonicContact OE1-NH2 3.12Å; E16-R51 PolarHBondContact OE1-NH2 2.95Å
17L97.6Very high89.6Confident18 Ų1870.6 Ų70.69%0.09437%0.369CS..EExtended strand (participates in β ladder)trans-119120.5174.4-178.570.4000110.4I7 A11 F14 N49 V50 R51 L73I7-L17 HydrophobicContact CG2-CD2 4.11Å; I7-L17 WeakPolarHBondContact O-CD2 3.45Å; A11-L17 HydrophobicContact CB-CD2 4.37Å; F14-L17 HydrophobicContact CD2-CD1 4.45Å; L17-N49 PolarHBondContact N-O 3Å; L17-V50 HydrophobicContact CB-CG2 4.13Å; L17-V50 HydrophobicContact CD2-CG2 4.21Å; L17-V50 VanDerWaalsContact O-CA 3.31Å; L17-V50 WeakPolarHBondContact O-CA 3.26Å; L17-R51 PolarHBondContact O-N 3.22Å; L17-R51 VanDerWaalsContact O-N 3.13Å; L17-L73 HydrophobicContact CD1-CB 4.47Å; L17-L73 HydrophobicContact CD1-CD2 3.93Å; L17-L73 HydrophobicContact CD2-CD2 4.48Å
18I97.3Very high88.1Confident42 Ų4275.1 Ų75.122%0.21539%0.388CS..EExtended strand (participates in β ladder)trans-104.1115.1179.7-52.2172.4000109.2E16 G20 R51 I53 L67E16-I18 HydrophobicContact CG-CG1 4.39Å; I18-G20 PolarHBondContact O-N 3.27Å; I18-R51 WeakPolarHBondContact CA-O 3.48Å; I18-R51 VanDerWaalsContact CD1-NH2 3.31Å; I18-R51 HydrophobicContact CG1-CG 4.14Å; I18-R51 HydrophobicContact CG2-CG 4.38Å; I18-I53 HydrophobicContact CG2-CD1 3.82Å; I18-I53 HydrophobicContact CG2-CG1 3.94Å; I18-I53 HydrophobicContact CG2-CG2 4.05Å; I18-L67 HydrophobicContact CD1-CB 3.95Å; I18-L67 HydrophobicContact CD1-CD1 3.95Å; I18-L67 HydrophobicContact CD1-CD2 4.45Å; I18-L67 HydrophobicContact CD1-CG 4.35Å; I18-L67 HydrophobicContact CG2-CD1 4.21Å
19I97.1Very high87.1Confident28 Ų2874.2 Ų74.214%0.14439%0.39CS..EExtended strand (participates in β ladder)trans-84.5108.6173.5-58.6169.8000108.5I7 V40 V44 V50 R51 V52 I53I7-I19 HydrophobicContact CD1-CD1 3.53Å; I7-I19 HydrophobicContact CD1-CG1 4.34Å; I7-I19 HydrophobicContact CG1-CD1 3.82Å; I7-I19 HydrophobicContact CG1-CG1 4.26Å; I7-I19 HydrophobicContact CG2-CD1 3.89Å; I19-V40 HydrophobicContact CD1-CG1 4.15Å; I19-V40 HydrophobicContact CG2-CG1 4.05Å; I19-V44 HydrophobicContact CD1-CB 4.46Å; I19-V44 HydrophobicContact CD1-CG1 3.78Å; I19-V44 HydrophobicContact CD1-CG2 4.3Å; I19-V50 HydrophobicContact CD1-CG1 3.51Å; I19-V50 HydrophobicContact CG1-CG1 3.96Å; I19-R51 PolarHBondContact N-O 2.78Å; I19-V52 HydrophobicContact CB-CG1 4.31Å; I19-V52 HydrophobicContact CB-CG2 4.36Å; I19-V52 HydrophobicContact CD1-CG2 4.35Å; I19-V52 HydrophobicContact CG2-CG1 4.37Å; I19-V52 WeakPolarHBondContact O-CA 3.2Å; I19-I53 PolarHBondContact O-N 3.18Å
20G94.7Very high86.2Confident32 Ų3272 Ų7233%0.3338%0.382SS..EExtended strand (participates in β ladder)trans-90.1118.217400000112.7I18 F22I18-G20 PolarHBondContact O-N 3.27Å; G20-F22 PolarHBondContact O-N 2.85Å
21I93Very high85.6Confident19 Ų1973.3 Ų73.310%0.09739%0.387CS..EExtended strand (participates in β ladder)trans-91.892.6170-57.4166.3000107.6K36 L37 V40 V52 I53 T54 Q55I21-K36 HydrophobicContact CD1-CB 4.01Å; I21-K36 HydrophobicContact CG2-CB 4.1Å; I21-K36 HydrophobicContact CG2-CD 3.73Å; I21-L37 HydrophobicContact CD1-CB 4.32Å; I21-L37 HydrophobicContact CD1-CD1 4.36Å; I21-V40 HydrophobicContact CD1-CB 4.18Å; I21-V40 HydrophobicContact CD1-CG2 4.07Å; I21-V52 HydrophobicContact CD1-CG1 3.64Å; I21-V52 HydrophobicContact CG1-CG1 4.14Å; I21-I53 PolarHBondContact N-O 3Å; I21-T54 HydrophobicContact CB-CG2 4.16Å; I21-T54 HydrophobicContact CD1-CG2 4.41Å; I21-T54 WeakPolarHBondContact O-CA 3.48Å; I21-Q55 PolarHBondContact O-N 2.58Å
22F90.6Very high85.1Confident62 Ų6276 Ų7627%0.27240%0.403SS..EExtended strand (participates in β ladder)trans-90.1142.3178.9-72.1-104000111.5G20 N24 Q55 T60 V63G20-F22 PolarHBondContact O-N 2.85Å; F22-N24 PolarHBondContact O-N 3.13Å; F22-Q55 VanDerWaalsContact CA-O 3.29Å; F22-Q55 WeakPolarHBondContact CA-O 3.35Å; F22-Q55 HydrophobicContact CD1-CB 3.65Å; F22-Q55 HydrophobicContact CD1-CG 3.94Å; F22-Q55 HydrophobicContact CE1-CB 3.54Å; F22-Q55 HydrophobicContact CE1-CG 3.69Å; F22-Q55 HydrophobicContact CG-CB 4.22Å; F22-Q55 HydrophobicContact CZ-CB 4.02Å; F22-Q55 HydrophobicContact CZ-CG 4.5Å; F22-T60 HydrophobicContact CZ-CG2 4.33Å; F22-V63 HydrophobicContact CE1-CB 4.2Å; F22-V63 HydrophobicContact CE1-CG2 3.91Å; F22-V63 HydrophobicContact CZ-CB 3.89Å; F22-V63 HydrophobicContact CZ-CG1 3.95Å; F22-V63 HydrophobicContact CZ-CG2 4.07Å
23V79.4Confident84.5Confident68 Ų6868.8 Ų68.841%0.41237%0.374SS..  trans-70.5122.7169.6175.20000108.9Q55 E56V23-Q55 PolarHBondContact N-O 3.38Å; V23-E56 HydrophobicContact CG2-CB 3.88Å; V23-E56 HydrophobicContact CG2-CG 3.77Å
24N74.1Confident84.2Confident63 Ų6369.7 Ų69.734%0.33738%0.376SS..  trans-95.7107.6169.8-174.6-29.7000108.2F22 S26 K27F22-N24 PolarHBondContact O-N 3.13Å; N24-S26 PolarHBondContact O-N 3.21Å; N24-S26 VanDerWaalsContact O-N 3.09Å; N24-S26 WeakPolarHBondContact OD1-CB 3.35Å; N24-S26 PolarHBondContact OD1-N 2.93Å; N24-S26 PolarHBondContact OD1-OG 3.38Å; N24-K27 HydrophobicContact CB-CB 4.28Å; N24-K27 PolarHBondContact O-N 2.97Å
25T66.9Low83.9Confident145 Ų14571.2 Ų71.289%0.8938%0.383SS*.THydrogen-bonded Turntrans-59-22.2-177.752.20000113.5
26S55.7Low83.7Confident95 Ų9566.4 Ų66.466%0.66436%0.355SS*.THydrogen-bonded Turntrans-85.3-9.5176.171.40000114.6N24N24-S26 PolarHBondContact O-N 3.21Å; N24-S26 VanDerWaalsContact O-N 3.09Å; N24-S26 WeakPolarHBondContact OD1-CB 3.35Å; N24-S26 PolarHBondContact OD1-N 2.93Å; N24-S26 PolarHBondContact OD1-OG 3.38Å
27K66.2Low83.5Confident144 Ų14463.3 Ų63.363%0.62634%0.341SS*.  trans-126.8124.8-172.6-64.7-176.1-176.6175.60112.3N24 S29N24-K27 HydrophobicContact CB-CB 4.28Å; N24-K27 PolarHBondContact O-N 2.97Å; K27-S29 PolarHBondContact O-N 3.41Å
28K65.6Low83.4Confident118 Ų11865.4 Ų65.451%0.51336%0.361SS..  trans-73.9126.9164-71.6-171.5-178176.60110.2F198K28-F198 HydrophobicContact CD-CE1 4.38Å
29S74.6Confident83.3Confident55 Ų5564.3 Ų64.339%0.38536%0.355SS..  trans-87143.9-179.4-174.80000111.6K27 F31 K36K27-S29 PolarHBondContact O-N 3.41Å; S29-F31 VanDerWaalsContact C-N 3.35Å; S29-F31 WeakPolarHBondContact CB-O 3.19Å; S29-F31 PolarHBondContact OG-N 2.62Å; S29-F31 PolarHBondContact OG-O 2.88Å; S29-K36 WeakPolarHBondContact OG-CE 3.49Å; S29-K36 PolarHBondContact OG-NZ 2.91Å
30Y78Confident83.2Confident25 Ų2564.7 Ų64.710%0.09836%0.359CS..SBendtrans-71.6-32.6174.2-175.3-87.9000112.5K119 V140 K143 V148Y30-K119 HydrophobicContact CD2-CD 3.64Å; Y30-K119 HydrophobicContact CD2-CG 4.13Å; Y30-K119 HydrophobicContact CE2-CD 4.33Å; Y30-K119 HydrophobicContact CE2-CG 4.35Å; Y30-K119 HydrophobicContact CG-CD 3.86Å; Y30-K119 HydrophobicContact CG-CG 4.49Å; Y30-V140 HydrophobicContact CE1-CG2 4.39Å; Y30-K143 HydrophobicContact CD1-CD 4.23Å; Y30-K143 HydrophobicContact CE1-CD 3.74Å; Y30-K143 PolarHBondContact O-NZ 3.27Å; Y30-V148 HydrophobicContact CE2-CB 4.02Å; Y30-V148 HydrophobicContact CE2-CG1 3.49Å; Y30-V148 VanDerWaalsContact CE2-CG1 3.49Å; Y30-V148 HydrophobicContact CE2-CG2 3.59Å; Y30-V148 VanDerWaalsContact CZ-CG2 3.46Å; Y30-V148 WeakPolarHBondContact OH-CG2 3.49Å
31F85.5Confident83.3Confident26 Ų2668.2 Ų68.211%0.11437%0.365CS..SBendtrans-112.4143.7174.5-67.3-67000110S29 E35 K36 I39 A139 V140 K143S29-F31 VanDerWaalsContact C-N 3.35Å; S29-F31 WeakPolarHBondContact CB-O 3.19Å; S29-F31 PolarHBondContact OG-N 2.62Å; S29-F31 PolarHBondContact OG-O 2.88Å; F31-E35 WeakPolarHBondContact CA-OE2 3.41Å; F31-E35 HydrophobicContact CB-CB 3.84Å; F31-E35 HydrophobicContact CD1-CB 4.08Å; F31-E35 HydrophobicContact CG-CB 4.37Å; F31-K36 HydrophobicContact CB-CG 3.7Å; F31-I39 HydrophobicContact CD1-CD1 3.76Å; F31-I39 HydrophobicContact CD2-CD1 4.02Å; F31-I39 HydrophobicContact CE1-CD1 3.81Å; F31-I39 HydrophobicContact CE2-CD1 4.07Å; F31-I39 HydrophobicContact CG-CD1 3.88Å; F31-I39 HydrophobicContact CZ-CD1 3.96Å; F31-A139 HydrophobicContact CE1-CB 3.98Å; F31-A139 HydrophobicContact CZ-CB 3.97Å; F31-V140 HydrophobicContact CE2-CG2 3.98Å; F31-V140 HydrophobicContact CZ-CG2 3.64Å; F31-K143 HydrophobicContact CD1-CD 4.38Å; F31-K143 HydrophobicContact CE1-CD 4.12Å
32T85.5Confident83.5Confident69 Ų6971.9 Ų71.942%0.42338%0.382SS..  trans-62.4166.9169.978.80000110.7E34 E35 K36T32-E34 VanDerWaalsContact CB-OE2 3.24Å; T32-E34 WeakPolarHBondContact CB-OE2 3.23Å; T32-E34 PolarHBondContact O-N 2.76Å; T32-E34 PolarHBondContact OG1-N 3Å; T32-E34 PolarHBondContact OG1-OE2 2.95Å; T32-E35 HydrophobicContact CG2-CG 4.47Å; T32-E35 PolarHBondContact N-OE2 3.05Å; T32-E35 PolarHBondContact O-N 3.48Å; T32-E35 WeakPolarHBondContact OG1-CG 3.14Å; T32-E35 PolarHBondContact OG1-N 3.19Å; T32-E35 VanDerWaalsContact OG1-N 3.14Å; T32-K36 WeakPolarHBondContact O-CG 3.26Å; T32-K36 PolarHBondContact O-N 2.95Å
33S85.9Confident83.7Confident21 Ų2169.6 Ų69.615%0.14737%0.374CS..Hα-helixtrans-57.6-40.3176.5-62.50000111.3L37 E56S33-L37 WeakPolarHBondContact O-CB 3.28Å; S33-L37 PolarHBondContact O-N 2.83Å; S33-E56 WeakPolarHBondContact CB-OE1 3.42Å; S33-E56 PolarHBondContact OG-OE1 2.78Å
34E88.6Confident84.6Confident127 Ų12766.6 Ų66.659%0.59336%0.355SS*.Hα-helixtrans-69.1-46.2178.6-54.775.6-164.300111.8T32 K36 L37 A38T32-E34 VanDerWaalsContact CB-OE2 3.24Å; T32-E34 WeakPolarHBondContact CB-OE2 3.23Å; T32-E34 PolarHBondContact O-N 2.76Å; T32-E34 PolarHBondContact OG1-N 3Å; T32-E34 PolarHBondContact OG1-OE2 2.95Å; E34-K36 VanDerWaalsContact C-N 3.32Å; E34-K36 PolarHBondContact O-N 2.75Å; E34-L37 PolarHBondContact O-N 2.93Å; E34-A38 PolarHBondContact O-N 3.21Å
35E91.1Very high85.6Confident71 Ų7170.6 Ų70.633%0.33237%0.37SS..Hα-helixtrans-57.2-47.9175.1-74.4177.4140.700109.9F31 T32 L37 A38 I39 K143F31-E35 WeakPolarHBondContact CA-OE2 3.41Å; F31-E35 HydrophobicContact CB-CB 3.84Å; F31-E35 HydrophobicContact CD1-CB 4.08Å; F31-E35 HydrophobicContact CG-CB 4.37Å; T32-E35 HydrophobicContact CG2-CG 4.47Å; T32-E35 PolarHBondContact N-OE2 3.05Å; T32-E35 PolarHBondContact O-N 3.48Å; T32-E35 WeakPolarHBondContact OG1-CG 3.14Å; T32-E35 PolarHBondContact OG1-N 3.19Å; T32-E35 VanDerWaalsContact OG1-N 3.14Å; E35-L37 PolarHBondContact O-N 2.8Å; E35-A38 PolarHBondContact O-N 2.98Å; E35-I39 HydrophobicContact CB-CD1 4.5Å; E35-I39 WeakPolarHBondContact O-CB 3.46Å; E35-I39 VanDerWaalsContact O-CD1 3.28Å; E35-I39 WeakPolarHBondContact O-CD1 3.43Å; E35-I39 WeakPolarHBondContact O-CG1 3.29Å; E35-I39 PolarHBondContact O-N 3.27Å; E35-K143 IonicContact OE1-NZ 2.84Å; E35-K143 PolarHBondContact OE1-NZ 3.05Å; E35-K143 VanDerWaalsContact OE1-NZ 3.13Å; E35-K143 IonicContact OE2-NZ 3.35Å; E35-K143 PolarHBondContact OE2-NZ 3.18Å
36K92.5Very high87Confident66 Ų6668.9 Ų68.929%0.28735%0.351SS..Hα-helixtrans-61.5-43.6176.5-73.6-175.8-177.3160.60112.4I21 S29 F31 T32 E34 A38 I39 V40I21-K36 HydrophobicContact CD1-CB 4.01Å; I21-K36 HydrophobicContact CG2-CB 4.1Å; I21-K36 HydrophobicContact CG2-CD 3.73Å; S29-K36 WeakPolarHBondContact OG-CE 3.49Å; S29-K36 PolarHBondContact OG-NZ 2.91Å; F31-K36 HydrophobicContact CB-CG 3.7Å; T32-K36 WeakPolarHBondContact O-CG 3.26Å; T32-K36 PolarHBondContact O-N 2.95Å; E34-K36 VanDerWaalsContact C-N 3.32Å; E34-K36 PolarHBondContact O-N 2.75Å; K36-A38 VanDerWaalsContact C-N 3.3Å; K36-A38 PolarHBondContact O-N 3.37Å; K36-I39 PolarHBondContact O-N 3.11Å; K36-V40 WeakPolarHBondContact O-CB 3.4Å; K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.98Å
37L94.3Very high88.9Confident36 Ų3665.3 Ų65.319%0.18833%0.325CS..Hα-helixtrans-58-46.3179.8-179.159.2000110.8I21 S33 E34 E35 K41 V52 T54I21-L37 HydrophobicContact CD1-CB 4.32Å; I21-L37 HydrophobicContact CD1-CD1 4.36Å; S33-L37 WeakPolarHBondContact O-CB 3.28Å; S33-L37 PolarHBondContact O-N 2.83Å; E34-L37 PolarHBondContact O-N 2.93Å; E35-L37 PolarHBondContact O-N 2.8Å; L37-K41 HydrophobicContact CD1-CD 4.01Å; L37-K41 HydrophobicContact CD1-CG 4.2Å; L37-K41 HydrophobicContact CG-CD 4.15Å; L37-K41 VanDerWaalsContact O-CB 3.27Å; L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 VanDerWaalsContact O-CG 3.24Å; L37-K41 WeakPolarHBondContact O-CG 3.46Å; L37-K41 PolarHBondContact O-N 3.31Å; L37-V52 HydrophobicContact CD1-CB 4.02Å; L37-V52 HydrophobicContact CD1-CG1 3.67Å; L37-T54 HydrophobicContact CB-CG2 3.83Å; L37-T54 HydrophobicContact CD1-CG2 4.12Å; L37-T54 HydrophobicContact CD2-CG2 4.01Å; L37-T54 HydrophobicContact CG-CG2 4.2Å
38A94.8Very high90.4Very high62 Ų6264.6 Ų64.651%0.51234%0.335SS..Hα-helixtrans-62-50.8176.800000111.7E34 E35 K36 V40 K41 E42E34-A38 PolarHBondContact O-N 3.21Å; E35-A38 PolarHBondContact O-N 2.98Å; K36-A38 VanDerWaalsContact C-N 3.3Å; K36-A38 PolarHBondContact O-N 3.37Å; A38-V40 PolarHBondContact O-N 3.13Å; A38-K41 PolarHBondContact O-N 3.37Å; A38-E42 WeakPolarHBondContact O-CB 3.41Å; A38-E42 PolarHBondContact O-N 3.2Å
39I94.5Very high91.9Very high19 Ų1961.1 Ų61.110%0.09732%0.322CS..Hα-helixtrans-61.2-45.1-178-66.7162.1000111.5F31 E35 K36 S43 V136 A139F31-I39 HydrophobicContact CD1-CD1 3.76Å; F31-I39 HydrophobicContact CD2-CD1 4.02Å; F31-I39 HydrophobicContact CE1-CD1 3.81Å; F31-I39 HydrophobicContact CE2-CD1 4.07Å; F31-I39 HydrophobicContact CG-CD1 3.88Å; F31-I39 HydrophobicContact CZ-CD1 3.96Å; E35-I39 HydrophobicContact CB-CD1 4.5Å; E35-I39 WeakPolarHBondContact O-CB 3.46Å; E35-I39 VanDerWaalsContact O-CD1 3.28Å; E35-I39 WeakPolarHBondContact O-CD1 3.43Å; E35-I39 WeakPolarHBondContact O-CG1 3.29Å; E35-I39 PolarHBondContact O-N 3.27Å; K36-I39 PolarHBondContact O-N 3.11Å; I39-S43 WeakPolarHBondContact O-CB 3.38Å; I39-S43 PolarHBondContact O-N 2.94Å; I39-S43 PolarHBondContact O-OG 2.9Å; I39-V136 HydrophobicContact CG2-CB 4.07Å; I39-V136 HydrophobicContact CG2-CG2 3.44Å; I39-V136 VanDerWaalsContact CG2-CG2 3.44Å; I39-A139 HydrophobicContact CD1-CB 3.41Å; I39-A139 VanDerWaalsContact CD1-CB 3.41Å; I39-A139 HydrophobicContact CG1-CB 3.64Å
40V95.8Very high93Very high36 Ų3659.5 Ų59.522%0.21831%0.31CS..Hα-helixtrans-70.7-42.9-178177.20000110.5I19 I21 K36 A38 E42 S43 V44 V52I19-V40 HydrophobicContact CD1-CG1 4.15Å; I19-V40 HydrophobicContact CG2-CG1 4.05Å; I21-V40 HydrophobicContact CD1-CB 4.18Å; I21-V40 HydrophobicContact CD1-CG2 4.07Å; K36-V40 WeakPolarHBondContact O-CB 3.4Å; K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.98Å; A38-V40 PolarHBondContact O-N 3.13Å; V40-E42 VanDerWaalsContact C-N 3.31Å; V40-E42 PolarHBondContact O-N 3.08Å; V40-S43 PolarHBondContact O-N 2.93Å; V40-S43 VanDerWaalsContact O-N 3.16Å; V40-V44 WeakPolarHBondContact O-CG2 3.5Å; V40-V44 PolarHBondContact O-N 3.49Å; V40-V44 VanDerWaalsContact O-N 3.09Å; V40-V52 HydrophobicContact CB-CG1 4.11Å; V40-V52 HydrophobicContact CG1-CB 4.48Å; V40-V52 HydrophobicContact CG1-CG1 3.75Å; V40-V52 HydrophobicContact CG1-CG2 3.84Å
41K96.6Very high93.9Very high106 Ų10663.3 Ų63.346%0.46132%0.324SS..Hα-helixtrans-56.2-46.7174.5-81.3179.4171.6173.90111.5L37 A38 S43 V44 K45 V52L37-K41 HydrophobicContact CD1-CD 4.01Å; L37-K41 HydrophobicContact CD1-CG 4.2Å; L37-K41 HydrophobicContact CG-CD 4.15Å; L37-K41 VanDerWaalsContact O-CB 3.27Å; L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 VanDerWaalsContact O-CG 3.24Å; L37-K41 WeakPolarHBondContact O-CG 3.46Å; L37-K41 PolarHBondContact O-N 3.31Å; A38-K41 PolarHBondContact O-N 3.37Å; K41-S43 VanDerWaalsContact C-N 3.33Å; K41-S43 PolarHBondContact O-N 3.37Å; K41-V44 PolarHBondContact O-N 2.84Å; K41-K45 PolarHBondContact O-N 3.19Å; K41-V52 HydrophobicContact CG-CB 3.76Å; K41-V52 HydrophobicContact CG-CG1 4.49Å; K41-V52 HydrophobicContact CG-CG2 3.81Å
42E96.6Very high94.5Very high95 Ų9562.7 Ų62.744%0.44432%0.322SS..Hα-helixtrans-65.1-38.9178-175.659.8-160.600111.8A38 V40 V44 K45 A135A38-E42 WeakPolarHBondContact O-CB 3.41Å; A38-E42 PolarHBondContact O-N 3.2Å; V40-E42 VanDerWaalsContact C-N 3.31Å; V40-E42 PolarHBondContact O-N 3.08Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 2.99Å; E42-K45 WeakPolarHBondContact O-CG 3.35Å; E42-K45 VanDerWaalsContact OE1-CE 3.32Å; E42-K45 WeakPolarHBondContact OE1-CE 3.2Å; E42-K45 IonicContact OE1-NZ 2.99Å; E42-K45 PolarHBondContact OE1-NZ 3.12Å; E42-K45 IonicContact OE2-NZ 3.9Å; E42-A135 HydrophobicContact CB-CB 3.92Å; E42-A135 HydrophobicContact CG-CB 3.61Å
43S96.5Very high94.9Very high15 Ų1561.1 Ų61.111%0.10531%0.311CS..Hα-helixtrans-66.4-28.7-179.9-60.70000113.6M4 I39 V40 K41 H46M4-S43 WeakPolarHBondContact CE-O 3.25Å; I39-S43 WeakPolarHBondContact O-CB 3.38Å; I39-S43 PolarHBondContact O-N 2.94Å; I39-S43 PolarHBondContact O-OG 2.9Å; V40-S43 PolarHBondContact O-N 2.93Å; V40-S43 VanDerWaalsContact O-N 3.16Å; K41-S43 VanDerWaalsContact C-N 3.33Å; K41-S43 PolarHBondContact O-N 3.37Å; S43-H46 PolarHBondContact O-CE1 3.35Å; S43-H46 VanDerWaalsContact O-CE1 3.24Å; S43-H46 PolarHBondContact O-ND1 3.43Å
44V96.9Very high95.2Very high5 Ų562.5 Ų62.53%0.0332%0.319CS..Hα-helixtrans-109.85.8-174.8-54.50000113.9M4 I7 I19 V40 K41 E42 H46 I47 V50 V52M4-V44 HydrophobicContact CE-CG1 4.02Å; M4-V44 HydrophobicContact SD-CG1 4.25Å; I7-V44 HydrophobicContact CD1-CG1 4.21Å; I7-V44 HydrophobicContact CG2-CG1 4.14Å; I19-V44 HydrophobicContact CD1-CB 4.46Å; I19-V44 HydrophobicContact CD1-CG1 3.78Å; I19-V44 HydrophobicContact CD1-CG2 4.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.5Å; V40-V44 PolarHBondContact O-N 3.49Å; V40-V44 VanDerWaalsContact O-N 3.09Å; K41-V44 PolarHBondContact O-N 2.84Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 2.99Å; V44-H46 PolarHBondContact O-N 2.88Å; V44-I47 HydrophobicContact CB-CD1 4.38Å; V44-I47 PolarHBondContact O-N 2.86Å; V44-V50 HydrophobicContact CB-CG1 4.07Å; V44-V50 HydrophobicContact CG2-CG1 3.73Å; V44-V52 HydrophobicContact CG2-CG2 3.8Å
45K95.4Very high95.3Very high146 Ų14658.3 Ų58.364%0.63530%0.299SS*.THydrogen-bonded Turntrans-56.8-21.5-175.972.2-176.5179.1177.90114.5K41 E42 I47K41-K45 PolarHBondContact O-N 3.19Å; E42-K45 WeakPolarHBondContact O-CG 3.35Å; E42-K45 VanDerWaalsContact OE1-CE 3.32Å; E42-K45 WeakPolarHBondContact OE1-CE 3.2Å; E42-K45 IonicContact OE1-NZ 2.99Å; E42-K45 PolarHBondContact OE1-NZ 3.12Å; E42-K45 IonicContact OE2-NZ 3.9Å; K45-I47 VanDerWaalsContact C-N 3.28Å
46H96Very high94.9Very high109 Ų10959.5 Ų59.551%0.50531%0.305SS..THydrogen-bonded Turntrans-79.3-7.4177.662.8-68.3000113.7E8 S43 V44E8-H46 IonicContact OE1-CE1 3.35Å; E8-H46 IonicContact OE1-NE2 3.03Å; E8-H46 PolarHBondContact OE1-NE2 3.48Å; S43-H46 PolarHBondContact O-CE1 3.35Å; S43-H46 VanDerWaalsContact O-CE1 3.24Å; S43-H46 PolarHBondContact O-ND1 3.43Å; V44-H46 PolarHBondContact O-N 2.88Å
47I97.2Very high94.5Very high20 Ų2063.3 Ų63.310%0.10333%0.328CS..  trans-107106.9-175.9-45.1175.8000109.2M4 I7 E8 A11 V44 K45 N49 V50M4-I47 HydrophobicContact SD-CD1 4.42Å; I7-I47 HydrophobicContact CG2-CD1 3.74Å; E8-I47 HydrophobicContact CG-CD1 3.71Å; A11-I47 HydrophobicContact CB-CG2 3.53Å; V44-I47 HydrophobicContact CB-CD1 4.38Å; V44-I47 PolarHBondContact O-N 2.86Å; K45-I47 VanDerWaalsContact C-N 3.28Å; I47-N49 VanDerWaalsContact C-N 3.34Å; I47-N49 PolarHBondContact O-N 3.31Å; I47-V50 HydrophobicContact CB-CB 4.13Å; I47-V50 HydrophobicContact CB-CG2 3.78Å; I47-V50 HydrophobicContact CD1-CG2 4.39Å; I47-V50 HydrophobicContact CG2-CB 4.21Å; I47-V50 HydrophobicContact CG2-CG2 3.4Å; I47-V50 PolarHBondContact O-N 3.14Å
48P96.8Very high94.2Very high130 Ų13064.9 Ų64.984%0.84433%0.334SS*.THydrogen-bonded Turntrans-70.1-25.7-164.226.5-35.6000114.8
49N97.9Very high94Very high45 Ų4567 Ų6724%0.24134%0.337CS..THydrogen-bonded Turntrans-101.920.6-179.467.3-33.6000113.1A11 F14 D15 L17 I47A11-N49 PolarHBondContact O-ND2 3.29Å; F14-N49 PolarHBondContact O-ND2 3.39Å; F14-N49 VanDerWaalsContact O-ND2 3.07Å; D15-N49 VanDerWaalsContact O-CB 3.31Å; D15-N49 WeakPolarHBondContact O-CB 3.43Å; D15-N49 PolarHBondContact O-ND2 3.49Å; L17-N49 PolarHBondContact N-O 3Å; I47-N49 VanDerWaalsContact C-N 3.34Å; I47-N49 PolarHBondContact O-N 3.31Å
50V97.7Very high93.9Very high21 Ų2168.1 Ų68.113%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-110.8131.1176.71760000110.4I7 A11 L17 I19 V44 I47I7-V50 HydrophobicContact CG2-CG1 4.43Å; I7-V50 HydrophobicContact CG2-CG2 4.2Å; A11-V50 HydrophobicContact CB-CG2 3.9Å; L17-V50 HydrophobicContact CB-CG2 4.13Å; L17-V50 HydrophobicContact CD2-CG2 4.21Å; L17-V50 VanDerWaalsContact O-CA 3.31Å; L17-V50 WeakPolarHBondContact O-CA 3.26Å; I19-V50 HydrophobicContact CD1-CG1 3.51Å; I19-V50 HydrophobicContact CG1-CG1 3.96Å; V44-V50 HydrophobicContact CB-CG1 4.07Å; V44-V50 HydrophobicContact CG2-CG1 3.73Å; I47-V50 HydrophobicContact CB-CB 4.13Å; I47-V50 HydrophobicContact CB-CG2 3.78Å; I47-V50 HydrophobicContact CD1-CG2 4.39Å; I47-V50 HydrophobicContact CG2-CB 4.21Å; I47-V50 HydrophobicContact CG2-CG2 3.4Å; I47-V50 PolarHBondContact O-N 3.14Å
51R96.2Very high93.8Very high105 Ų10566.9 Ų66.940%0.39634%0.337SS..EExtended strand (participates in β ladder)trans-126.9160.8164.663.4167.1168.3151.5-7.1111.4E16 L17 I18 I19E16-R51 IonicContact OE1-CZ 3.77Å; E16-R51 VanDerWaalsContact OE1-CZ 3.27Å; E16-R51 IonicContact OE1-NE 3.86Å; E16-R51 PolarHBondContact OE1-NE 2.94Å; E16-R51 IonicContact OE1-NH2 3.12Å; E16-R51 PolarHBondContact OE1-NH2 2.95Å; L17-R51 PolarHBondContact O-N 3.22Å; L17-R51 VanDerWaalsContact O-N 3.13Å; I18-R51 WeakPolarHBondContact CA-O 3.48Å; I18-R51 VanDerWaalsContact CD1-NH2 3.31Å; I18-R51 HydrophobicContact CG1-CG 4.14Å; I18-R51 HydrophobicContact CG2-CG 4.38Å; I19-R51 PolarHBondContact N-O 2.78Å
52V97Very high93.7Very high12 Ų1263.9 Ų63.97%0.07333%0.329CS..EExtended strand (participates in β ladder)trans-123.4131.1-174.7-167.70000109.5I19 I21 L37 V40 K41 V44I19-V52 HydrophobicContact CB-CG1 4.31Å; I19-V52 HydrophobicContact CB-CG2 4.36Å; I19-V52 HydrophobicContact CD1-CG2 4.35Å; I19-V52 HydrophobicContact CG2-CG1 4.37Å; I19-V52 WeakPolarHBondContact O-CA 3.2Å; I21-V52 HydrophobicContact CD1-CG1 3.64Å; I21-V52 HydrophobicContact CG1-CG1 4.14Å; L37-V52 HydrophobicContact CD1-CB 4.02Å; L37-V52 HydrophobicContact CD1-CG1 3.67Å; V40-V52 HydrophobicContact CB-CG1 4.11Å; V40-V52 HydrophobicContact CG1-CB 4.48Å; V40-V52 HydrophobicContact CG1-CG1 3.75Å; V40-V52 HydrophobicContact CG1-CG2 3.84Å; K41-V52 HydrophobicContact CG-CB 3.76Å; K41-V52 HydrophobicContact CG-CG1 4.49Å; K41-V52 HydrophobicContact CG-CG2 3.81Å; V44-V52 HydrophobicContact CG2-CG2 3.8Å
53I95Very high93.6Very high36 Ų3659.8 Ų59.819%0.18531%0.311CS..EExtended strand (participates in β ladder)trans-124.4160176.167.8175.1000110.2I18 I19 I21 V63 L67I18-I53 HydrophobicContact CG2-CD1 3.82Å; I18-I53 HydrophobicContact CG2-CG1 3.94Å; I18-I53 HydrophobicContact CG2-CG2 4.05Å; I19-I53 PolarHBondContact O-N 3.18Å; I21-I53 PolarHBondContact N-O 3Å; I53-V63 HydrophobicContact CD1-CG1 3.87Å; I53-L67 HydrophobicContact CD1-CD1 3.46Å; I53-L67 VanDerWaalsContact CD1-CD1 3.46Å
54T92.9Very high93.5Very high51 Ų5159.6 Ų59.631%0.31331%0.31SS..EExtended strand (participates in β ladder)trans-113141.216845.70000109I21 L37I21-T54 HydrophobicContact CB-CG2 4.16Å; I21-T54 HydrophobicContact CD1-CG2 4.41Å; I21-T54 WeakPolarHBondContact O-CA 3.48Å; L37-T54 HydrophobicContact CB-CG2 3.83Å; L37-T54 HydrophobicContact CD1-CG2 4.12Å; L37-T54 HydrophobicContact CD2-CG2 4.01Å; L37-T54 HydrophobicContact CG-CG2 4.2Å
55Q89.6Confident93.4Very high38 Ų3866.2 Ų66.218%0.17834%0.34CS..EExtended strand (participates in β ladder)trans-136.2127.3169.2-175.86519.700110.4I21 F22 V23 E58 V63I21-Q55 PolarHBondContact O-N 2.58Å; F22-Q55 VanDerWaalsContact CA-O 3.29Å; F22-Q55 WeakPolarHBondContact CA-O 3.35Å; F22-Q55 HydrophobicContact CD1-CB 3.65Å; F22-Q55 HydrophobicContact CD1-CG 3.94Å; F22-Q55 HydrophobicContact CE1-CB 3.54Å; F22-Q55 HydrophobicContact CE1-CG 3.69Å; F22-Q55 HydrophobicContact CG-CB 4.22Å; F22-Q55 HydrophobicContact CZ-CB 4.02Å; F22-Q55 HydrophobicContact CZ-CG 4.5Å; V23-Q55 PolarHBondContact N-O 3.38Å; Q55-E58 HydrophobicContact CG-CB 3.98Å; Q55-E58 VanDerWaalsContact NE2-N 3.2Å; Q55-E58 PolarHBondContact NE2-OE1 2.66Å; Q55-V63 HydrophobicContact CB-CG2 4.31Å; Q55-V63 HydrophobicContact CG-CG2 3.68Å
56E82.8Confident93.4Very high97 Ų9766.2 Ų66.245%0.45334%0.34SS..SBendtrans-106.9-31.8-176.9-52.9-156.9143.600113.2V23 S33V23-E56 HydrophobicContact CG2-CB 3.88Å; V23-E56 HydrophobicContact CG2-CG 3.77Å; S33-E56 WeakPolarHBondContact CB-OE1 3.42Å; S33-E56 PolarHBondContact OG-OE1 2.78Å
57N84.1Confident93.3Very high145 Ų14563.8 Ų63.878%0.77533%0.331SS*.SBendtrans-128.410-163.6-56.4-32.2000114.6
58E88.1Confident93.2Very high70 Ų7065.5 Ų65.533%0.32735%0.353SS..SBendtrans-128.3154.5179.3-65174.8-139.200112.1Q55 V63 K66Q55-E58 HydrophobicContact CG-CB 3.98Å; Q55-E58 VanDerWaalsContact NE2-N 3.2Å; Q55-E58 PolarHBondContact NE2-OE1 2.66Å; E58-V63 HydrophobicContact CB-CG2 3.85Å; E58-K66 IonicContact OE1-NZ 2.72Å; E58-K66 PolarHBondContact OE1-NZ 2.87Å; E58-K66 VanDerWaalsContact OE2-CE 3.31Å; E58-K66 WeakPolarHBondContact OE2-CE 3.16Å; E58-K66 IonicContact OE2-NZ 2.93Å; E58-K66 PolarHBondContact OE2-NZ 3.43Å
59L91.5Very high93.2Very high107 Ų10760.9 Ų60.956%0.5633%0.326SS*.  trans-67.6148.3174.6-60.9176.6000110.9V61 S62 V63 L95L59-V61 HydrophobicContact CB-CG2 3.85Å; L59-V61 HydrophobicContact CD1-CG2 4.34Å; L59-V61 PolarHBondContact O-N 3.14Å; L59-S62 PolarHBondContact O-N 3.31Å; L59-S62 VanDerWaalsContact O-N 3.15Å; L59-V63 PolarHBondContact O-N 3.24Å; L59-V63 VanDerWaalsContact O-N 3.1Å; L59-L95 HydrophobicContact CD1-CD1 4.45Å
60T92Very high93Very high42 Ų4263.6 Ų63.626%0.25834%0.336SS..Hα-helixtrans-53.9-40.1176.2-52.30000112.1F22 V63 A64 L72F22-T60 HydrophobicContact CZ-CG2 4.33Å; T60-V63 PolarHBondContact O-N 3.45Å; T60-A64 VanDerWaalsContact O-CB 3.3Å; T60-A64 WeakPolarHBondContact O-CB 3.26Å; T60-A64 PolarHBondContact O-N 3.3Å; T60-L72 HydrophobicContact CG2-CD1 3.7Å; T60-L72 HydrophobicContact CG2-CD2 4.14Å
61V94.2Very high93Very high10 Ų1068 Ų686%0.06135%0.353CS..Hα-helixtrans-63.1-45.9178-68.90000112.5L59 V63 A64 E65 N92 L95 D96 L99L59-V61 HydrophobicContact CB-CG2 3.85Å; L59-V61 HydrophobicContact CD1-CG2 4.34Å; L59-V61 PolarHBondContact O-N 3.14Å; V61-V63 VanDerWaalsContact C-N 3.33Å; V61-V63 PolarHBondContact O-N 2.85Å; V61-A64 WeakPolarHBondContact O-CB 3.3Å; V61-A64 PolarHBondContact O-N 2.95Å; V61-E65 PolarHBondContact O-N 2.91Å; V61-N92 HydrophobicContact CG1-CB 3.74Å; V61-L95 HydrophobicContact CG1-CB 4.2Å; V61-L95 HydrophobicContact CG2-CB 4Å; V61-L95 HydrophobicContact CG2-CD1 4.05Å; V61-D96 HydrophobicContact CB-CB 4.29Å; V61-D96 HydrophobicContact CG1-CB 4.31Å; V61-L99 HydrophobicContact CG1-CD2 3.84Å
62S93.7Very high93.1Very high43 Ų4364.6 Ų64.630%0.30134%0.343SS..Hα-helixtrans-64.8-39.2179.6-52.20000111.7L59 K66L59-S62 PolarHBondContact O-N 3.31Å; L59-S62 VanDerWaalsContact O-N 3.15Å; S62-K66 VanDerWaalsContact O-CG 3.31Å; S62-K66 WeakPolarHBondContact O-CG 3.45Å; S62-K66 PolarHBondContact O-N 2.85Å
63V94.4Very high93.1Very high9 Ų965.6 Ų65.66%0.05535%0.348CS..Hα-helixtrans-69.7-39.6174.9176.50000111.5F22 I53 Q55 E58 L59 T60 V61 E65 K66 L67F22-V63 HydrophobicContact CE1-CB 4.2Å; F22-V63 HydrophobicContact CE1-CG2 3.91Å; F22-V63 HydrophobicContact CZ-CB 3.89Å; F22-V63 HydrophobicContact CZ-CG1 3.95Å; F22-V63 HydrophobicContact CZ-CG2 4.07Å; I53-V63 HydrophobicContact CD1-CG1 3.87Å; Q55-V63 HydrophobicContact CB-CG2 4.31Å; Q55-V63 HydrophobicContact CG-CG2 3.68Å; E58-V63 HydrophobicContact CB-CG2 3.85Å; L59-V63 PolarHBondContact O-N 3.24Å; L59-V63 VanDerWaalsContact O-N 3.1Å; T60-V63 PolarHBondContact O-N 3.45Å; V61-V63 VanDerWaalsContact C-N 3.33Å; V61-V63 PolarHBondContact O-N 2.85Å; V63-E65 VanDerWaalsContact C-N 3.35Å; V63-K66 PolarHBondContact O-N 3.28Å; V63-L67 HydrophobicContact CG1-CD1 3.54Å; V63-L67 HydrophobicContact CG1-CG 4.25Å; V63-L67 WeakPolarHBondContact O-CB 3.36Å; V63-L67 WeakPolarHBondContact O-CD1 3.43Å; V63-L67 WeakPolarHBondContact O-CG 3.37Å; V63-L67 PolarHBondContact O-N 3.17Å
64A95.2Very high93Very high10 Ų1068 Ų688%0.08336%0.355CS..Hα-helixtrans-60.1-45.9176.100000111.1T60 V61 L67 G68 A69 L99T60-A64 VanDerWaalsContact O-CB 3.3Å; T60-A64 WeakPolarHBondContact O-CB 3.26Å; T60-A64 PolarHBondContact O-N 3.3Å; V61-A64 WeakPolarHBondContact O-CB 3.3Å; V61-A64 PolarHBondContact O-N 2.95Å; A64-L67 CarbonylContact O-C 3.59Å; A64-L67 PolarHBondContact O-N 3.37Å; A64-G68 PolarHBondContact O-N 3.01Å; A64-A69 HydrophobicContact CB-CB 4.15Å; A64-A69 PolarHBondContact O-N 3.15Å; A64-L99 HydrophobicContact CB-CD1 3.86Å; A64-L99 HydrophobicContact CB-CD2 4Å
65E94.3Very high93Very high145 Ų14567 Ų6768%0.67835%0.354SS*.Hα-helixtrans-58.6-50.8174.9-174.2-178.5-168.100111.7V61 V63 L67 G68V61-E65 PolarHBondContact O-N 2.91Å; V63-E65 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.32Å; E65-G68 PolarHBondContact O-N 3.2Å
66K94.3Very high93.1Very high145 Ų14565.5 Ų65.563%0.6335%0.347SS*.Hα-helixtrans-57.2-33.1177.6-76.4177.2179.6-177.70113.3E58 S62 V63E58-K66 IonicContact OE1-NZ 2.72Å; E58-K66 PolarHBondContact OE1-NZ 2.87Å; E58-K66 VanDerWaalsContact OE2-CE 3.31Å; E58-K66 WeakPolarHBondContact OE2-CE 3.16Å; E58-K66 IonicContact OE2-NZ 2.93Å; E58-K66 PolarHBondContact OE2-NZ 3.43Å; S62-K66 VanDerWaalsContact O-CG 3.31Å; S62-K66 WeakPolarHBondContact O-CG 3.45Å; S62-K66 PolarHBondContact O-N 2.85Å; V63-K66 PolarHBondContact O-N 3.28Å
67L94.8Very high93.5Very high59 Ų5965.7 Ų65.731%0.30934%0.344SS..Hα-helixtrans-90.6-4.3179.7-63.8169.6000113.2I18 I53 V63 A64 E65 A69I18-L67 HydrophobicContact CD1-CB 3.95Å; I18-L67 HydrophobicContact CD1-CD1 3.95Å; I18-L67 HydrophobicContact CD1-CD2 4.45Å; I18-L67 HydrophobicContact CD1-CG 4.35Å; I18-L67 HydrophobicContact CG2-CD1 4.21Å; I53-L67 HydrophobicContact CD1-CD1 3.46Å; I53-L67 VanDerWaalsContact CD1-CD1 3.46Å; V63-L67 HydrophobicContact CG1-CD1 3.54Å; V63-L67 HydrophobicContact CG1-CG 4.25Å; V63-L67 WeakPolarHBondContact O-CB 3.36Å; V63-L67 WeakPolarHBondContact O-CD1 3.43Å; V63-L67 WeakPolarHBondContact O-CG 3.37Å; V63-L67 PolarHBondContact O-N 3.17Å; A64-L67 CarbonylContact O-C 3.59Å; A64-L67 PolarHBondContact O-N 3.37Å; E65-L67 PolarHBondContact O-N 3.32Å; L67-A69 PolarHBondContact O-N 2.8Å
68G95Very high93.6Very high56 Ų5661.4 Ų61.458%0.57733%0.325SS*.THydrogen-bonded Turntrans6919.6-174.300000114A64 E65 K70A64-G68 PolarHBondContact O-N 3.01Å; E65-G68 PolarHBondContact O-N 3.2Å; G68-K70 PolarHBondContact O-N 2.85Å
69A95.8Very high93.5Very high33 Ų3364.4 Ų64.427%0.27334%0.342SS..  trans-76.3122.5179.800000110.6A64 L67 L99A64-A69 HydrophobicContact CB-CB 4.15Å; A64-A69 PolarHBondContact O-N 3.15Å; L67-A69 PolarHBondContact O-N 2.8Å; A69-L99 WeakPolarHBondContact O-CD1 3.45Å
70K95.6Very high93Very high101 Ų10167.4 Ų67.444%0.43935%0.35SS..  trans-95.5-9.7177.5-65-62.7-172.5169.80114.1G68 E98 E100G68-K70 PolarHBondContact O-N 2.85Å; K70-E98 IonicContact NZ-OE2 2.63Å; K70-E98 PolarHBondContact NZ-OE2 3.45Å; K70-E98 VanDerWaalsContact NZ-OE2 3.09Å; K70-E100 PolarHBondContact O-N 2.84Å
71F97.5Very high92.6Very high114 Ų11467.1 Ų67.150%0.535%0.347SS..EExtended strand (participates in β ladder)trans-131.9135.9-177.8-56.8-84.5000111.1F14 E100 V102F14-F71 HydrophobicContact CD1-CB 4.42Å; F14-F71 HydrophobicContact CD1-CD2 4.09Å; F14-F71 HydrophobicContact CD1-CG 4.38Å; F14-F71 HydrophobicContact CE1-CB 3.67Å; F14-F71 HydrophobicContact CE1-CD1 4.26Å; F14-F71 AromaticContact CE1-CD2 3.75Å; F14-F71 HydrophobicContact CE1-CD2 3.75Å; F14-F71 HydrophobicContact CE1-CE2 4.48Å; F14-F71 AromaticContact CE1-CG 3.62Å; F14-F71 HydrophobicContact CE1-CG 3.62Å; F14-F71 HydrophobicContact CZ-CB 4.1Å; F14-F71 HydrophobicContact CZ-CG 4.4Å; F71-E100 CarbonylContact C-O 3.46Å; F71-E100 VanDerWaalsContact CA-O 3.22Å; F71-E100 WeakPolarHBondContact CA-O 3.42Å; F71-E100 HydrophobicContact CD1-CB 3.92Å; F71-E100 HydrophobicContact CD1-CG 4.49Å; F71-E100 HydrophobicContact CE1-CB 4.16Å; F71-V102 HydrophobicContact CB-CG2 4.39Å; F71-V102 HydrophobicContact CD1-CG2 3.84Å
72L96.5Very high92.4Very high34 Ų3471.6 Ų71.618%0.17836%0.364CS..EExtended strand (participates in β ladder)trans-104.8115.6168.3-174.967000109.5T60 R74 N92 L99 E100 T101 V102T60-L72 HydrophobicContact CG2-CD1 3.7Å; T60-L72 HydrophobicContact CG2-CD2 4.14Å; L72-R74 HydrophobicContact CG-CG 4.44Å; L72-N92 VanDerWaalsContact CD2-ND2 3.35Å; L72-N92 WeakPolarHBondContact CD2-ND2 3.42Å; L72-L99 HydrophobicContact CB-CD1 4.44Å; L72-L99 HydrophobicContact CB-CG 4.48Å; L72-E100 PolarHBondContact N-O 3.44Å; L72-T101 CarbonylContact O-C 3.45Å; L72-T101 WeakPolarHBondContact O-CA 3.36Å; L72-V102 PolarHBondContact O-N 3.08Å
73L96.9Very high92.2Very high33 Ų3375.2 Ų75.217%0.17338%0.376CS..EExtended strand (participates in β ladder)trans-90.6127.9-179.6-173.865.1000111.7T6 G10 F14 L17 V102 L104T6-L73 HydrophobicContact CG2-CD2 4.36Å; T6-L73 HydrophobicContact CG2-CG 4.42Å; G10-L73 VanDerWaalsContact CA-CD2 3.47Å; F14-L73 HydrophobicContact CE2-CD1 4.04Å; F14-L73 HydrophobicContact CE2-CD2 4.26Å; L17-L73 HydrophobicContact CD1-CB 4.47Å; L17-L73 HydrophobicContact CD1-CD2 3.93Å; L17-L73 HydrophobicContact CD2-CD2 4.48Å; L73-V102 WeakPolarHBondContact CA-O 3.5Å; L73-V102 HydrophobicContact CD1-CB 4.17Å; L73-V102 HydrophobicContact CD1-CG1 4.05Å; L73-L104 HydrophobicContact CD1-CD1 3.8Å; L73-L104 HydrophobicContact CD1-CG 3.75Å; L73-L104 HydrophobicContact CD2-CD1 4.33Å; L73-L104 HydrophobicContact CG-CD1 4.49Å
74R94.8Very high91.9Very high87 Ų8780.4 Ų80.433%0.32840%0.395SS..EExtended strand (participates in β ladder)trans-131.7139.2177.7-60.5-65.9-76.8-177.4-8.8111.7L72 E85 T101 V102 F103 L104L72-R74 HydrophobicContact CG-CG 4.44Å; R74-E85 IonicContact CZ-OE1 2.9Å; R74-E85 IonicContact CZ-OE2 3.75Å; R74-E85 VanDerWaalsContact NE-CD 3.35Å; R74-E85 IonicContact NE-OE1 3.8Å; R74-E85 PolarHBondContact NE-OE1 3.13Å; R74-E85 IonicContact NE-OE2 3.75Å; R74-E85 PolarHBondContact NE-OE2 3.45Å; R74-E85 IonicContact NH2-OE1 3.26Å; R74-E85 PolarHBondContact NH2-OE1 2.88Å; R74-E85 IonicContact NH2-OE2 2.83Å; R74-E85 PolarHBondContact NH2-OE2 3.38Å; R74-T101 HydrophobicContact CG-CG2 4.08Å; R74-V102 PolarHBondContact N-O 3.33Å; R74-F103 HydrophobicContact CB-CD1 3.65Å; R74-F103 HydrophobicContact CB-CE1 3.68Å; R74-F103 HydrophobicContact CG-CE1 4.18Å; R74-F103 CarbonylContact O-C 3.58Å; R74-F103 WeakPolarHBondContact O-CA 3.46Å; R74-L104 PolarHBondContact O-N 2.94Å
75G92.7Very high91.6Very high28 Ų2881.1 Ų81.129%0.28940%0.397SS..EExtended strand (participates in β ladder)trans-93.8132.3174.800000111.4L104G75-L104 CarbonylContact C-O 3.56Å; G75-L104 WeakPolarHBondContact CA-O 3.49Å
76I92Very high91.5Very high8 Ų878.8 Ų78.84%0.04139%0.385CS..EExtended strand (participates in β ladder)trans-115.6126.8178.4-61.9178.5000109.6S78 D81 Y82 F103 L104 L105 A106I76-S78 VanDerWaalsContact CG2-O 3.24Å; I76-S78 WeakPolarHBondContact CG2-O 3.47Å; I76-D81 HydrophobicContact CG2-CB 4.35Å; I76-Y82 HydrophobicContact CD1-CD2 3.48Å; I76-Y82 VanDerWaalsContact CD1-CD2 3.48Å; I76-Y82 HydrophobicContact CD1-CE2 4.42Å; I76-Y82 HydrophobicContact CD1-CG 4.13Å; I76-F103 HydrophobicContact CD1-CB 3.59Å; I76-F103 HydrophobicContact CD1-CD1 3.39Å; I76-F103 HydrophobicContact CD1-CD2 4.2Å; I76-F103 HydrophobicContact CD1-CE1 4.09Å; I76-F103 HydrophobicContact CD1-CG 3.46Å; I76-F103 VanDerWaalsContact CD1-CG 3.46Å; I76-F103 HydrophobicContact CG1-CB 4.23Å; I76-F103 HydrophobicContact CG1-CD1 3.69Å; I76-F103 HydrophobicContact CG1-CE1 4.39Å; I76-F103 HydrophobicContact CG1-CG 4.19Å; I76-L104 PolarHBondContact N-O 3.48Å; I76-L105 HydrophobicContact CB-CD2 4.19Å; I76-L105 HydrophobicContact CG2-CD2 4.25Å; I76-L105 WeakPolarHBondContact O-CA 3.26Å; I76-A106 WeakPolarHBondContact O-CB 3.49Å; I76-A106 PolarHBondContact O-N 3.24Å
77R89.5Confident91.3Very high101 Ų10178.3 Ų78.338%0.38139%0.385SS..  trans-103.4-25.3177.3-60.3166.2-64.1167.37.8113.8D81 A106 I113R77-D81 WeakPolarHBondContact CB-OD2 3.47Å; R77-D81 IonicContact CZ-OD2 3.2Å; R77-D81 VanDerWaalsContact CZ-OD2 3.28Å; R77-D81 IonicContact NE-OD2 3.86Å; R77-D81 PolarHBondContact NE-OD2 2.64Å; R77-D81 IonicContact NH2-OD1 2.83Å; R77-D81 PolarHBondContact NH2-OD1 3.33Å; R77-D81 IonicContact NH2-OD2 3.28Å; R77-D81 PolarHBondContact NH2-OD2 2.99Å; R77-A106 HydrophobicContact CB-CB 4.33Å; R77-A106 HydrophobicContact CG-CB 3.68Å; R77-I113 PolarHBondContact NH1-O 3.02Å
78S86.1Confident91.1Very high54 Ų5477.9 Ų77.938%0.37838%0.382SS..SBendtrans-148.6168.9-173.973.60000111.3I76 K80 D81 Y82I76-S78 VanDerWaalsContact CG2-O 3.24Å; I76-S78 WeakPolarHBondContact CG2-O 3.47Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.39Å; S78-K80 PolarHBondContact OG-N 2.92Å; S78-D81 PolarHBondContact O-N 3.1Å; S78-D81 PolarHBondContact OG-N 2.79Å; S78-D81 VanDerWaalsContact OG-N 3.16Å; S78-Y82 PolarHBondContact O-N 3.26Å
79I85.9Confident91Very high134 Ų13475.9 Ų75.969%0.68736%0.36SS*.Hα-helixtrans-61-39.5173.8-63.5170.3000110.7D81 Y82 E83I79-D81 PolarHBondContact O-N 3.14Å; I79-Y82 WeakPolarHBondContact O-CB 3.45Å; I79-Y82 PolarHBondContact O-N 2.97Å; I79-Y82 VanDerWaalsContact O-N 3.12Å; I79-E83 PolarHBondContact O-N 3.39Å
80K81.5Confident90.9Very high169 Ų16979.2 Ų79.274%0.73537%0.373SS*.Hα-helixtrans-63.1-41.1177.8-171.7177.6-178.21760112.2S78 Y82 E83 Y84S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.39Å; S78-K80 PolarHBondContact OG-N 2.92Å; K80-Y82 VanDerWaalsContact C-N 3.32Å; K80-E83 PolarHBondContact O-N 3.48Å; K80-Y84 PolarHBondContact O-N 3.19Å
81D83.8Confident90.8Very high36 Ų3679.6 Ų79.619%0.19338%0.377CS..Hα-helixtrans-62.8-41.6173.8-74.54.3000110.1I76 R77 S78 I79 E85I76-D81 HydrophobicContact CG2-CB 4.35Å; R77-D81 WeakPolarHBondContact CB-OD2 3.47Å; R77-D81 IonicContact CZ-OD2 3.2Å; R77-D81 VanDerWaalsContact CZ-OD2 3.28Å; R77-D81 IonicContact NE-OD2 3.86Å; R77-D81 PolarHBondContact NE-OD2 2.64Å; R77-D81 IonicContact NH2-OD1 2.83Å; R77-D81 PolarHBondContact NH2-OD1 3.33Å; R77-D81 IonicContact NH2-OD2 3.28Å; R77-D81 PolarHBondContact NH2-OD2 2.99Å; S78-D81 PolarHBondContact O-N 3.1Å; S78-D81 PolarHBondContact OG-N 2.79Å; S78-D81 VanDerWaalsContact OG-N 3.16Å; I79-D81 PolarHBondContact O-N 3.14Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 WeakPolarHBondContact O-CG 3.28Å; D81-E85 PolarHBondContact O-N 3.01Å
82Y91.1Very high90.6Very high105 Ų10574.8 Ų74.841%0.41236%0.357SS..Hα-helixtrans-61.5-45177.6173.3-121.4000112.9I76 S78 I79 K80 Y84 E85 K86 F103I76-Y82 HydrophobicContact CD1-CD2 3.48Å; I76-Y82 VanDerWaalsContact CD1-CD2 3.48Å; I76-Y82 HydrophobicContact CD1-CE2 4.42Å; I76-Y82 HydrophobicContact CD1-CG 4.13Å; S78-Y82 PolarHBondContact O-N 3.26Å; I79-Y82 WeakPolarHBondContact O-CB 3.45Å; I79-Y82 PolarHBondContact O-N 2.97Å; I79-Y82 VanDerWaalsContact O-N 3.12Å; K80-Y82 VanDerWaalsContact C-N 3.32Å; Y82-Y84 PolarHBondContact O-N 3.13Å; Y82-E85 PolarHBondContact O-N 3.2Å; Y82-K86 HydrophobicContact CD2-CB 4.42Å; Y82-K86 HydrophobicContact CE1-CD 4.34Å; Y82-K86 HydrophobicContact CE2-CB 4.22Å; Y82-K86 WeakPolarHBondContact O-CB 3.15Å; Y82-K86 PolarHBondContact O-N 2.76Å; Y82-F103 HydrophobicContact CE2-CD2 4.46Å; Y82-F103 HydrophobicContact CE2-CE2 4.36Å
83E89.2Confident90.4Very high118 Ų11880.1 Ų80.155%0.55138%0.375SS*.Hα-helixtrans-59.4-47.9-179.9-72.1-178.9150.800111.4I79 K80 K86 E87I79-E83 PolarHBondContact O-N 3.39Å; K80-E83 PolarHBondContact O-N 3.48Å; E83-K86 PolarHBondContact O-N 2.86Å; E83-E87 PolarHBondContact O-N 3.48Å
84Y86.4Confident90.2Very high118 Ų11885.6 Ų85.646%0.46340%0.399SS..Hα-helixtrans-62.3-47.4176.5179-102.7000112.6K80 Y82 K86 E87 I88K80-Y84 PolarHBondContact O-N 3.19Å; Y82-Y84 PolarHBondContact O-N 3.13Å; Y84-K86 VanDerWaalsContact C-N 3.32Å; Y84-K86 PolarHBondContact O-N 3.14Å; Y84-E87 PolarHBondContact O-N 3.03Å; Y84-I88 HydrophobicContact CD1-CD1 4.09Å; Y84-I88 HydrophobicContact CE1-CD1 3.48Å; Y84-I88 VanDerWaalsContact CE1-CD1 3.48Å; Y84-I88 PolarHBondContact O-N 3.35Å
85E90Very high90.2Very high25 Ų2585.9 Ų85.912%0.11741%0.406CS..Hα-helixtrans-70.1-30.3-178-66.1-68.1174.500112.8R74 D81 Y82 I88 A89 F103R74-E85 IonicContact CZ-OE1 2.9Å; R74-E85 IonicContact CZ-OE2 3.75Å; R74-E85 VanDerWaalsContact NE-CD 3.35Å; R74-E85 IonicContact NE-OE1 3.8Å; R74-E85 PolarHBondContact NE-OE1 3.13Å; R74-E85 IonicContact NE-OE2 3.75Å; R74-E85 PolarHBondContact NE-OE2 3.45Å; R74-E85 IonicContact NH2-OE1 3.26Å; R74-E85 PolarHBondContact NH2-OE1 2.88Å; R74-E85 IonicContact NH2-OE2 2.83Å; R74-E85 PolarHBondContact NH2-OE2 3.38Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 WeakPolarHBondContact O-CG 3.28Å; D81-E85 PolarHBondContact O-N 3.01Å; Y82-E85 PolarHBondContact O-N 3.2Å; E85-I88 PolarHBondContact O-N 2.82Å; E85-A89 WeakPolarHBondContact O-CB 3.27Å; E85-A89 PolarHBondContact O-N 3Å; E85-F103 HydrophobicContact CB-CE1 3.68Å; E85-F103 HydrophobicContact CB-CZ 4.13Å
86K91Very high90.3Very high97 Ų9786.1 Ų86.142%0.42240%0.401SS..Hα-helixtrans-63.9-41.3174.7177-172169.6-1670111.1Y82 E83 Y84 A89 L90Y82-K86 HydrophobicContact CD2-CB 4.42Å; Y82-K86 HydrophobicContact CE1-CD 4.34Å; Y82-K86 HydrophobicContact CE2-CB 4.22Å; Y82-K86 WeakPolarHBondContact O-CB 3.15Å; Y82-K86 PolarHBondContact O-N 2.76Å; E83-K86 PolarHBondContact O-N 2.86Å; Y84-K86 VanDerWaalsContact C-N 3.32Å; Y84-K86 PolarHBondContact O-N 3.14Å; K86-A89 PolarHBondContact O-N 3.18Å; K86-L90 HydrophobicContact CG-CD1 4.26Å; K86-L90 VanDerWaalsContact O-CG 3.3Å; K86-L90 WeakPolarHBondContact O-CG 3.15Å; K86-L90 PolarHBondContact O-N 3.34Å
87E90.5Very high90.3Very high135 Ų13593.7 Ų93.763%0.63144%0.436SS*.Hα-helixtrans-62-43.7176.2-70.2177.5175.900111.5E83 Y84 L90 M91E83-E87 PolarHBondContact O-N 3.48Å; Y84-E87 PolarHBondContact O-N 3.03Å; E87-L90 PolarHBondContact O-N 3.49Å; E87-M91 PolarHBondContact O-N 3.43Å
88I90.4Very high90.5Very high50 Ų5094.9 Ų94.926%0.25645%0.446SS..Hα-helixtrans-62.3-44.4174.8-64.9174.2000111.1Y84 E85 L90 M91 N92Y84-I88 HydrophobicContact CD1-CD1 4.09Å; Y84-I88 HydrophobicContact CE1-CD1 3.48Å; Y84-I88 VanDerWaalsContact CE1-CD1 3.48Å; Y84-I88 PolarHBondContact O-N 3.35Å; E85-I88 PolarHBondContact O-N 2.82Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 3.04Å; I88-M91 PolarHBondContact O-N 3.2Å; I88-N92 PolarHBondContact O-N 3.25Å; I88-N92 PolarHBondContact O-ND2 2.82Å
89A93.4Very high90.9Very high14 Ų1492.4 Ų92.412%0.11643%0.429CS..Hα-helixtrans-61.1-41.7178.400000112.3E85 K86 N92 R93 T101 F103E85-A89 WeakPolarHBondContact O-CB 3.27Å; E85-A89 PolarHBondContact O-N 3Å; K86-A89 PolarHBondContact O-N 3.18Å; A89-N92 PolarHBondContact O-N 2.9Å; A89-R93 WeakPolarHBondContact O-CB 2.75Å; A89-R93 PolarHBondContact O-N 3.16Å; A89-T101 HydrophobicContact CB-CG2 3.83Å; A89-F103 HydrophobicContact CB-CE2 4.35Å; A89-F103 HydrophobicContact CB-CZ 3.9Å
90L93.5Very high91.4Very high102 Ų10290.7 Ų90.753%0.53442%0.418SS..Hα-helixtrans-64.7-41.3176.3-72.4172.1000111.9K86 E87 I88 R93 H94K86-L90 HydrophobicContact CG-CD1 4.26Å; K86-L90 VanDerWaalsContact O-CG 3.3Å; K86-L90 WeakPolarHBondContact O-CG 3.15Å; K86-L90 PolarHBondContact O-N 3.34Å; E87-L90 PolarHBondContact O-N 3.49Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 3.04Å; L90-R93 PolarHBondContact O-N 3.09Å; L90-H94 PolarHBondContact O-N 3.23Å
91M94.4Very high92.1Very high109 Ų10983.5 Ų83.554%0.53739%0.388SS..Hα-helixtrans-64.4-46175.5-175.458.771.100111.4E87 I88 R93 H94 L95E87-M91 PolarHBondContact O-N 3.43Å; I88-M91 PolarHBondContact O-N 3.2Å; M91-R93 VanDerWaalsContact C-N 3.33Å; M91-R93 PolarHBondContact O-N 3.08Å; M91-H94 WeakPolarHBondContact O-CB 3.34Å; M91-H94 PolarHBondContact O-N 3.23Å; M91-H94 VanDerWaalsContact O-N 3.1Å; M91-L95 HydrophobicContact CG-CD1 4.15Å; M91-L95 WeakPolarHBondContact O-CG 3.41Å; M91-L95 PolarHBondContact O-N 3.2Å; M91-L95 HydrophobicContact SD-CD1 4.48Å; M91-L95 HydrophobicContact SD-CG 4.47Å
92N93.7Very high92.7Very high13 Ų1383.8 Ų83.87%0.0739%0.391CS..Hα-helixtrans-60.1-43.2177.8-73.1-22.7000111.8V61 L72 I88 A89 H94 L95 D96V61-N92 HydrophobicContact CG1-CB 3.74Å; L72-N92 VanDerWaalsContact CD2-ND2 3.35Å; L72-N92 WeakPolarHBondContact CD2-ND2 3.42Å; I88-N92 PolarHBondContact O-N 3.25Å; I88-N92 PolarHBondContact O-ND2 2.82Å; A89-N92 PolarHBondContact O-N 2.9Å; N92-H94 VanDerWaalsContact C-N 3.27Å; N92-H94 PolarHBondContact O-N 2.96Å; N92-L95 PolarHBondContact O-N 3.33Å; N92-D96 PolarHBondContact O-N 3.37Å
93R91.7Very high93Very high147 Ų14781.7 Ų81.756%0.55538%0.384SS*.Hα-helixtrans-65.3-29.2176.3-177.1176.3134.7167.6-1.6113.2A89 L90 M91 D96 Q97A89-R93 WeakPolarHBondContact O-CB 2.75Å; A89-R93 PolarHBondContact O-N 3.16Å; L90-R93 PolarHBondContact O-N 3.09Å; M91-R93 VanDerWaalsContact C-N 3.33Å; M91-R93 PolarHBondContact O-N 3.08Å; R93-D96 WeakPolarHBondContact CA-O 3.48Å; R93-D96 CarbonylContact O-C 3.52Å; R93-Q97 PolarHBondContact O-N 2.82Å
94H93.6Very high93.3Very high148 Ų14877.1 Ų77.169%0.68536%0.363SS*.Hα-helixtrans-69.7-39.7173.8-178.467.9000111.6L90 M91 N92L90-H94 PolarHBondContact O-N 3.23Å; M91-H94 WeakPolarHBondContact O-CB 3.34Å; M91-H94 PolarHBondContact O-N 3.23Å; M91-H94 VanDerWaalsContact O-N 3.1Å; N92-H94 VanDerWaalsContact C-N 3.27Å; N92-H94 PolarHBondContact O-N 2.96Å
95L94.4Very high93.6Very high92 Ų9277.4 Ų77.448%0.48237%0.372SS..Hα-helixtrans-76.4-35179.8-64.7171.7000112.8L59 V61 M91 N92L59-L95 HydrophobicContact CD1-CD1 4.45Å; V61-L95 HydrophobicContact CG1-CB 4.2Å; V61-L95 HydrophobicContact CG2-CB 4Å; V61-L95 HydrophobicContact CG2-CD1 4.05Å; M91-L95 HydrophobicContact CG-CD1 4.15Å; M91-L95 WeakPolarHBondContact O-CG 3.41Å; M91-L95 PolarHBondContact O-N 3.2Å; M91-L95 HydrophobicContact SD-CD1 4.48Å; M91-L95 HydrophobicContact SD-CG 4.47Å; N92-L95 PolarHBondContact O-N 3.33Å
96D93.3Very high93.7Very high34 Ų3477.2 Ų77.218%0.18238%0.375CS..  trans-141107.4175.3-179-0.1000109.8V61 N92 R93 E98 L99V61-D96 HydrophobicContact CB-CB 4.29Å; V61-D96 HydrophobicContact CG1-CB 4.31Å; N92-D96 PolarHBondContact O-N 3.37Å; R93-D96 WeakPolarHBondContact CA-O 3.48Å; R93-D96 CarbonylContact O-C 3.52Å; D96-E98 PolarHBondContact O-N 3.27Å; D96-E98 WeakPolarHBondContact OD1-CB 3.44Å; D96-E98 PolarHBondContact OD1-N 3.46Å; D96-L99 HydrophobicContact CB-CB 4.14Å; D96-L99 PolarHBondContact O-N 3.45Å
97Q92.4Very high93.7Very high166 Ų16676 Ų7678%0.77637%0.371SS*.THydrogen-bonded Turntrans-69.8-16-177.9-64.7-173.83.900113.4R93R93-Q97 PolarHBondContact O-N 2.82Å
98E93.5Very high93.5Very high127 Ų12775 Ų7559%0.59338%0.375SS*.THydrogen-bonded Turntrans-90.2-13.1-179.3-67.6-80129.300112.7K70 D96K70-E98 IonicContact NZ-OE2 2.63Å; K70-E98 PolarHBondContact NZ-OE2 3.45Å; K70-E98 VanDerWaalsContact NZ-OE2 3.09Å; D96-E98 PolarHBondContact O-N 3.27Å; D96-E98 WeakPolarHBondContact OD1-CB 3.44Å; D96-E98 PolarHBondContact OD1-N 3.46Å
99L95.5Very high93.5Very high1 Ų178 Ų781%0.00539%0.387CS..  trans-90107.1179.8-174.567.3000111.2V61 A64 A69 L72 D96V61-L99 HydrophobicContact CG1-CD2 3.84Å; A64-L99 HydrophobicContact CB-CD1 3.86Å; A64-L99 HydrophobicContact CB-CD2 4Å; A69-L99 WeakPolarHBondContact O-CD1 3.45Å; L72-L99 HydrophobicContact CB-CD1 4.44Å; L72-L99 HydrophobicContact CB-CG 4.48Å; D96-L99 HydrophobicContact CB-CB 4.14Å; D96-L99 PolarHBondContact O-N 3.45Å
100E96.5Very high93.3Very high98 Ų9879 Ų7946%0.45839%0.388SS..EExtended strand (participates in β ladder)trans-90.5136.4178.4-168.264.4-141.200111.2K70 F71 L72K70-E100 PolarHBondContact O-N 2.84Å; F71-E100 CarbonylContact C-O 3.46Å; F71-E100 VanDerWaalsContact CA-O 3.22Å; F71-E100 WeakPolarHBondContact CA-O 3.42Å; F71-E100 HydrophobicContact CD1-CB 3.92Å; F71-E100 HydrophobicContact CD1-CG 4.49Å; F71-E100 HydrophobicContact CE1-CB 4.16Å; L72-E100 PolarHBondContact N-O 3.44Å
101T96.7Very high92.9Very high19 Ų1976.6 Ų76.612%0.11738%0.38CS..EExtended strand (participates in β ladder)trans-96.4122.1175.5-59.90000111L72 R74 A89 F103L72-T101 CarbonylContact O-C 3.45Å; L72-T101 WeakPolarHBondContact O-CA 3.36Å; R74-T101 HydrophobicContact CG-CG2 4.08Å; A89-T101 HydrophobicContact CB-CG2 3.83Å; T101-F103 HydrophobicContact CG2-CD1 4.38Å; T101-F103 HydrophobicContact CG2-CE1 3.79Å; T101-F103 HydrophobicContact CG2-CE2 4.04Å; T101-F103 HydrophobicContact CG2-CZ 3.62Å
102V96.6Very high92.4Very high41 Ų4176.9 Ų76.925%0.24838%0.38CS..EExtended strand (participates in β ladder)trans-104.4123.7178.7-179.20000109.8F14 F71 L72 L73 R74F14-V102 HydrophobicContact CZ-CB 4.37Å; F14-V102 HydrophobicContact CZ-CG1 4.45Å; F14-V102 HydrophobicContact CZ-CG2 4.19Å; F71-V102 HydrophobicContact CB-CG2 4.39Å; F71-V102 HydrophobicContact CD1-CG2 3.84Å; L72-V102 PolarHBondContact O-N 3.08Å; L73-V102 WeakPolarHBondContact CA-O 3.5Å; L73-V102 HydrophobicContact CD1-CB 4.17Å; L73-V102 HydrophobicContact CD1-CG1 4.05Å; R74-V102 PolarHBondContact N-O 3.33Å
103F96.4Very high92Very high62 Ų6277.2 Ų77.227%0.27238%0.381SS..EExtended strand (participates in β ladder)trans-100.7129.9177.7-66.2-63.2000112.3R74 I76 Y82 E85 A89 T101R74-F103 HydrophobicContact CB-CD1 3.65Å; R74-F103 HydrophobicContact CB-CE1 3.68Å; R74-F103 HydrophobicContact CG-CE1 4.18Å; R74-F103 CarbonylContact O-C 3.58Å; R74-F103 WeakPolarHBondContact O-CA 3.46Å; I76-F103 HydrophobicContact CD1-CB 3.59Å; I76-F103 HydrophobicContact CD1-CD1 3.39Å; I76-F103 HydrophobicContact CD1-CD2 4.2Å; I76-F103 HydrophobicContact CD1-CE1 4.09Å; I76-F103 HydrophobicContact CD1-CG 3.46Å; I76-F103 VanDerWaalsContact CD1-CG 3.46Å; I76-F103 HydrophobicContact CG1-CB 4.23Å; I76-F103 HydrophobicContact CG1-CD1 3.69Å; I76-F103 HydrophobicContact CG1-CE1 4.39Å; I76-F103 HydrophobicContact CG1-CG 4.19Å; Y82-F103 HydrophobicContact CE2-CD2 4.46Å; Y82-F103 HydrophobicContact CE2-CE2 4.36Å; E85-F103 HydrophobicContact CB-CE1 3.68Å; E85-F103 HydrophobicContact CB-CZ 4.13Å; A89-F103 HydrophobicContact CB-CE2 4.35Å; A89-F103 HydrophobicContact CB-CZ 3.9Å; T101-F103 HydrophobicContact CG2-CD1 4.38Å; T101-F103 HydrophobicContact CG2-CE1 3.79Å; T101-F103 HydrophobicContact CG2-CE2 4.04Å; T101-F103 HydrophobicContact CG2-CZ 3.62Å
104L95.6Very high91.8Very high21 Ų2171.3 Ų71.311%0.1136%0.362CS..EExtended strand (participates in β ladder)trans-109.9123.8168.3-64.1-177.8000110T6 R9 L13 L73 R74 G75 I76 A106T6-L104 HydrophobicContact CG2-CD1 4.44Å; R9-L104 HydrophobicContact CB-CD1 3.95Å; L13-L104 HydrophobicContact CD1-CD1 4.32Å; L13-L104 HydrophobicContact CD1-CD2 4.03Å; L73-L104 HydrophobicContact CD1-CD1 3.8Å; L73-L104 HydrophobicContact CD1-CG 3.75Å; L73-L104 HydrophobicContact CD2-CD1 4.33Å; L73-L104 HydrophobicContact CG-CD1 4.49Å; R74-L104 PolarHBondContact O-N 2.94Å; G75-L104 CarbonylContact C-O 3.56Å; G75-L104 WeakPolarHBondContact CA-O 3.49Å; I76-L104 PolarHBondContact N-O 3.48Å; L104-A106 PolarHBondContact O-N 2.76Å
105L93.6Very high91.5Very high125 Ų12567.6 Ų67.665%0.65435%0.353SS*.EExtended strand (participates in β ladder)trans-68.1129.8171.6-59.4-179.8000109.5R9 I76R9-L105 PolarHBondContact NH1-O 3.02Å; R9-L105 PolarHBondContact NH2-O 3.33Å; I76-L105 HydrophobicContact CB-CD2 4.19Å; I76-L105 HydrophobicContact CG2-CD2 4.25Å; I76-L105 WeakPolarHBondContact O-CA 3.26Å
106A90.3Very high90.9Very high20 Ų2067.1 Ų67.117%0.16536%0.357CS..PPolyproline II helixtrans-64.8143.6177.300000110.9I76 R77 L104I76-A106 WeakPolarHBondContact O-CB 3.49Å; I76-A106 PolarHBondContact O-N 3.24Å; R77-A106 HydrophobicContact CB-CB 4.33Å; R77-A106 HydrophobicContact CG-CB 3.68Å; L104-A106 PolarHBondContact O-N 2.76Å
107E91.1Very high90.6Very high72 Ų7269.7 Ų69.734%0.33637%0.37SS..PPolyproline II helixtrans-61142.6173-68.8-166.1169.700111.1K109 Y110 S111E107-K109 HydrophobicContact CB-CG 4.23Å; E107-K109 PolarHBondContact O-N 3.08Å; E107-K109 WeakPolarHBondContact OE2-CE 3.09Å; E107-K109 IonicContact OE2-NZ 2.66Å; E107-K109 PolarHBondContact OE2-NZ 2.84Å; E107-Y110 HydrophobicContact CB-CD2 4.09Å; E107-Y110 PolarHBondContact O-N 2.87Å; E107-S111 PolarHBondContact O-N 2.86Å
108P87.9Confident90.4Very high113 Ų11362.7 Ų62.773%0.73434%0.338SS*.THydrogen-bonded Turntrans-53.4-32.5-177-29.635.4000114.8Y110 S111P108-Y110 PolarHBondContact O-N 2.83Å; P108-S111 PolarHBondContact O-N 3.24Å; P108-S111 PolarHBondContact O-OG 3.02Å
109K90.3Very high90Very high113 Ų11359.6 Ų59.649%0.49132%0.322SS..THydrogen-bonded Turntrans-68.6-16.8176.659.5167.41661700114.2E107 H112E107-K109 HydrophobicContact CB-CG 4.23Å; E107-K109 PolarHBondContact O-N 3.08Å; E107-K109 WeakPolarHBondContact OE2-CE 3.09Å; E107-K109 IonicContact OE2-NZ 2.66Å; E107-K109 PolarHBondContact OE2-NZ 2.84Å; K109-H112 PolarHBondContact O-CE1 2.99Å; K109-H112 PolarHBondContact O-ND1 3.19Å
110Y89.3Confident89.3Confident36 Ų3664.9 Ų64.914%0.14135%0.347CS..THydrogen-bonded Turntrans-111.8-4.2179.3-54.2-45.4000113.1M1 D5 E107 P108 H112 I113M1-Y110 HydrophobicContact CB-CD1 3.95Å; M1-Y110 HydrophobicContact CB-CE1 3.74Å; D5-Y110 HydrophobicContact CB-CD2 3.69Å; D5-Y110 HydrophobicContact CB-CE2 3.67Å; E107-Y110 HydrophobicContact CB-CD2 4.09Å; E107-Y110 PolarHBondContact O-N 2.87Å; P108-Y110 PolarHBondContact O-N 2.83Å; Y110-H112 VanDerWaalsContact C-N 3.27Å; Y110-H112 PolarHBondContact O-N 3.46Å; Y110-I113 HydrophobicContact CD1-CD1 3.72Å; Y110-I113 HydrophobicContact CG-CD1 4.43Å; Y110-I113 PolarHBondContact O-N 3.48Å; Y110-I113 VanDerWaalsContact O-N 3.14Å
111S84.5Confident88.8Confident52 Ų5262.9 Ų62.936%0.36434%0.341SS..THydrogen-bonded Turntrans-64.7-29.3-175.7650000113.5E107 P108E107-S111 PolarHBondContact O-N 2.86Å; P108-S111 PolarHBondContact O-N 3.24Å; P108-S111 PolarHBondContact O-OG 3.02Å
112H84.2Confident88.3Confident115 Ų11563.2 Ų63.253%0.53234%0.341SS..THydrogen-bonded Turntrans-84.3-8.1178.262.8-85.5000113.6K109 Y110K109-H112 PolarHBondContact O-CE1 2.99Å; K109-H112 PolarHBondContact O-ND1 3.19Å; Y110-H112 VanDerWaalsContact C-N 3.27Å; Y110-H112 PolarHBondContact O-N 3.46Å
113I85.2Confident87.3Confident19 Ų1961.8 Ų61.810%0.09733%0.332CS..  trans-84.6127-177.2-55.5174.7000109.5M1 R77 Y110 L118 Y131M1-I113 HydrophobicContact CB-CD1 4.42Å; R77-I113 PolarHBondContact NH1-O 3.02Å; Y110-I113 HydrophobicContact CD1-CD1 3.72Å; Y110-I113 HydrophobicContact CG-CD1 4.43Å; Y110-I113 PolarHBondContact O-N 3.48Å; Y110-I113 VanDerWaalsContact O-N 3.14Å; I113-L118 HydrophobicContact CG2-CD1 3.67Å; I113-L118 HydrophobicContact CG2-CG 4.14Å; I113-Y131 HydrophobicContact CD1-CD1 3.65Å; I113-Y131 HydrophobicContact CD1-CG 4.43Å; I113-Y131 HydrophobicContact CG1-CD1 3.96Å
114S87.5Confident86.7Confident24 Ų2465.4 Ų65.417%0.16835%0.348CS..  trans-135.2145.1167.8800000111.2S116 I117 L118S114-S116 PolarHBondContact O-N 2.84Å; S114-I117 PolarHBondContact O-N 3.16Å; S114-I117 WeakPolarHBondContact OG-CD1 3.27Å; S114-I117 VanDerWaalsContact OG-CG1 3.31Å; S114-I117 WeakPolarHBondContact OG-CG1 3.34Å; S114-I117 PolarHBondContact OG-N 3.37Å; S114-L118 PolarHBondContact O-N 3.26Å
115S87Confident86Confident70 Ų7070.6 Ų70.649%0.4938%0.376SS..Hα-helixtrans-59.5-29.3177.7-50.90000112.4K119S115-K119 WeakPolarHBondContact O-CB 3.48Å; S115-K119 WeakPolarHBondContact O-CE 2.94Å; S115-K119 VanDerWaalsContact O-CG 3.24Å; S115-K119 WeakPolarHBondContact O-CG 3.4Å; S115-K119 PolarHBondContact O-N 2.86Å; S115-K119 VanDerWaalsContact O-N 3.16Å
116S82.1Confident85.6Confident81 Ų8165.9 Ų65.957%0.56636%0.357SS*.Hα-helixtrans-66.5-50.9176.3-59.90000111.6S114 L118 K119 E120S114-S116 PolarHBondContact O-N 2.84Å; S116-L118 PolarHBondContact O-N 3.27Å; S116-K119 PolarHBondContact O-N 2.84Å; S116-E120 PolarHBondContact O-N 2.84Å; S116-E120 VanDerWaalsContact O-N 3.13Å
117I86Confident85.6Confident89 Ų8970.3 Ų70.346%0.45638%0.378SS..Hα-helixtrans-63-44.7179.5-67.3169.6000110.6S114 K119 E120 V121S114-I117 PolarHBondContact O-N 3.16Å; S114-I117 WeakPolarHBondContact OG-CD1 3.27Å; S114-I117 VanDerWaalsContact OG-CG1 3.31Å; S114-I117 WeakPolarHBondContact OG-CG1 3.34Å; S114-I117 PolarHBondContact OG-N 3.37Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 2.95Å; I117-E120 WeakPolarHBondContact O-CB 3.49Å; I117-E120 PolarHBondContact O-N 3.48Å; I117-E120 VanDerWaalsContact O-N 3.14Å; I117-V121 HydrophobicContact CG2-CG2 4.21Å; I117-V121 WeakPolarHBondContact O-CG2 3.42Å; I117-V121 PolarHBondContact O-N 3.01Å
118L89Confident85.7Confident19 Ų1967 Ų6710%0.09936%0.362CS..Hα-helixtrans-63.3-38.3180-66.1-175.9000112.6I113 S114 S116 E120 V121 W122 V128 Y131 L132I113-L118 HydrophobicContact CG2-CD1 3.67Å; I113-L118 HydrophobicContact CG2-CG 4.14Å; S114-L118 PolarHBondContact O-N 3.26Å; S116-L118 PolarHBondContact O-N 3.27Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.37Å; L118-V121 PolarHBondContact O-N 3.5Å; L118-W122 WeakPolarHBondContact O-CB 3.33Å; L118-W122 PolarHBondContact O-N 3.03Å; L118-V128 HydrophobicContact CB-CG1 4.42Å; L118-V128 HydrophobicContact CD2-CB 4.28Å; L118-V128 HydrophobicContact CD2-CG1 4.12Å; L118-Y131 HydrophobicContact CD2-CD2 3.86Å; L118-Y131 HydrophobicContact CD2-CG 3.92Å; L118-L132 HydrophobicContact CD1-CD2 3.55Å; L118-L132 HydrophobicContact CD1-CG 4.2Å
119K84.7Confident85.9Confident61 Ų6166.1 Ų66.127%0.26535%0.347SS..Hα-helixtrans-63.7-38.6174.3-75.8178.7-67.6162.90111.8Y30 S115 S116 I117 T123 I152Y30-K119 HydrophobicContact CD2-CD 3.64Å; Y30-K119 HydrophobicContact CD2-CG 4.13Å; Y30-K119 HydrophobicContact CE2-CD 4.33Å; Y30-K119 HydrophobicContact CE2-CG 4.35Å; Y30-K119 HydrophobicContact CG-CD 3.86Å; Y30-K119 HydrophobicContact CG-CG 4.49Å; S115-K119 WeakPolarHBondContact O-CB 3.48Å; S115-K119 WeakPolarHBondContact O-CE 2.94Å; S115-K119 VanDerWaalsContact O-CG 3.24Å; S115-K119 WeakPolarHBondContact O-CG 3.4Å; S115-K119 PolarHBondContact O-N 2.86Å; S115-K119 VanDerWaalsContact O-N 3.16Å; S116-K119 PolarHBondContact O-N 2.84Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 2.95Å; K119-T123 WeakPolarHBondContact O-CB 3.45Å; K119-T123 PolarHBondContact O-N 3.31Å; K119-T123 PolarHBondContact O-OG1 3.16Å; K119-I152 HydrophobicContact CB-CD1 4.38Å
120E81.1Confident86Confident113 Ų11368.6 Ų68.653%0.52836%0.361SS..Hα-helixtrans-65.7-50.2176.9-169.5173.6178.200111.1S116 I117 L118 W122 T123 F124S116-E120 PolarHBondContact O-N 2.84Å; S116-E120 VanDerWaalsContact O-N 3.13Å; I117-E120 WeakPolarHBondContact O-CB 3.49Å; I117-E120 PolarHBondContact O-N 3.48Å; I117-E120 VanDerWaalsContact O-N 3.14Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.37Å; E120-W122 VanDerWaalsContact C-N 3.33Å; E120-W122 PolarHBondContact O-N 2.82Å; E120-T123 PolarHBondContact O-N 3.45Å; E120-T123 VanDerWaalsContact O-N 3.1Å; E120-F124 HydrophobicContact CG-CD2 3.92Å; E120-F124 HydrophobicContact CG-CE2 3.76Å; E120-F124 WeakPolarHBondContact O-CD2 3.24Å; E120-F124 PolarHBondContact O-N 3.2Å; E120-F124 VanDerWaalsContact O-N 3.08Å
121V86.4Confident86.2Confident55 Ų5571 Ų7133%0.33337%0.37SS..Hα-helixtrans-55.3-48.3175.6174.90000110.9I117 L118 T123 F124 N125 G126 V128I117-V121 HydrophobicContact CG2-CG2 4.21Å; I117-V121 WeakPolarHBondContact O-CG2 3.42Å; I117-V121 PolarHBondContact O-N 3.01Å; L118-V121 PolarHBondContact O-N 3.5Å; V121-T123 VanDerWaalsContact C-N 3.32Å; V121-T123 PolarHBondContact O-N 3.43Å; V121-F124 CarbonylContact O-C 3.56Å; V121-F124 PolarHBondContact O-N 2.75Å; V121-N125 PolarHBondContact O-N 3.02Å; V121-G126 WeakPolarHBondContact O-CA 3.46Å; V121-G126 PolarHBondContact O-N 3.41Å; V121-V128 HydrophobicContact CB-CG1 3.88Å; V121-V128 HydrophobicContact CG1-CG1 3.63Å
122W85.1Confident86.6Confident27 Ų2769.9 Ų69.910%0.10236%0.36CS..Hα-helixtrans-58.2-43.2176.8178.8-102.2000112.8L118 E120 F124 N125 V128 Y137 V140 E141L118-W122 WeakPolarHBondContact O-CB 3.33Å; L118-W122 PolarHBondContact O-N 3.03Å; E120-W122 VanDerWaalsContact C-N 3.33Å; E120-W122 PolarHBondContact O-N 2.82Å; W122-F124 PolarHBondContact O-N 3.45Å; W122-N125 PolarHBondContact O-N 3.06Å; W122-V128 HydrophobicContact CB-CG1 4.34Å; W122-V128 HydrophobicContact CB-CG2 4.44Å; W122-V128 HydrophobicContact CD2-CG2 4.45Å; W122-V128 HydrophobicContact CE3-CG2 3.64Å; W122-V128 HydrophobicContact CZ3-CG2 4.29Å; W122-Y137 AromaticContact CZ3-CE2 3.92Å; W122-Y137 HydrophobicContact CZ3-CE2 3.92Å; W122-V140 HydrophobicContact CB-CG1 4.43Å; W122-V140 HydrophobicContact CD2-CG1 3.33Å; W122-V140 HydrophobicContact CE3-CG1 3.96Å; W122-V140 HydrophobicContact CG-CG1 3.52Å; W122-V140 HydrophobicContact CH2-CG1 4.34Å; W122-V140 HydrophobicContact CZ2-CG1 3.85Å; W122-V140 WeakPolarHBondContact CZ2-O 3.02Å; W122-V140 HydrophobicContact CZ3-CG1 4.4Å; W122-V140 PolarHBondContact NE1-O 3.27Å; W122-E141 HydrophobicContact CH2-CB 4.04Å; W122-E141 HydrophobicContact CH2-CG 4.26Å; W122-E141 HydrophobicContact CZ2-CB 4.33Å
123T77.1Confident87.1Confident11 Ų1165.7 Ų65.77%0.06734%0.343CS..Hα-helixtrans-66.4-27.1-178.7-58.10000112.6K119 E120 V121 N125 L145 V148 A149 I152 V153K119-T123 WeakPolarHBondContact O-CB 3.45Å; K119-T123 PolarHBondContact O-N 3.31Å; K119-T123 PolarHBondContact O-OG1 3.16Å; E120-T123 PolarHBondContact O-N 3.45Å; E120-T123 VanDerWaalsContact O-N 3.1Å; V121-T123 VanDerWaalsContact C-N 3.32Å; V121-T123 PolarHBondContact O-N 3.43Å; T123-N125 VanDerWaalsContact C-N 3.32Å; T123-L145 WeakPolarHBondContact O-CD2 3.47Å; T123-V148 HydrophobicContact CG2-CG1 4.19Å; T123-V148 WeakPolarHBondContact OG1-CG1 3.44Å; T123-A149 HydrophobicContact CG2-CB 4.16Å; T123-I152 HydrophobicContact CG2-CD1 3.93Å; T123-I152 HydrophobicContact CG2-CG1 4.1Å; T123-I152 WeakPolarHBondContact OG1-CD1 3.19Å; T123-V153 HydrophobicContact CG2-CG2 3.8Å
124F81.9Confident87.5Confident138 Ų13869.3 Ų69.361%0.60536%0.359SS*.THydrogen-bonded Turntrans-96.125.3172.3-65.6-67.4000112.9E120 V121 W122 G126E120-F124 HydrophobicContact CG-CD2 3.92Å; E120-F124 HydrophobicContact CG-CE2 3.76Å; E120-F124 WeakPolarHBondContact O-CD2 3.24Å; E120-F124 PolarHBondContact O-N 3.2Å; E120-F124 VanDerWaalsContact O-N 3.08Å; V121-F124 CarbonylContact O-C 3.56Å; V121-F124 PolarHBondContact O-N 2.75Å; W122-F124 PolarHBondContact O-N 3.45Å; F124-G126 PolarHBondContact O-N 3.2Å
125N82.2Confident87.8Confident130 Ų13069 Ų6970%0.69536%0.358SS*.THydrogen-bonded Turntrans6023.1176.8-63.695.1000114.8V121 W122 T123V121-N125 PolarHBondContact O-N 3.02Å; W122-N125 PolarHBondContact O-N 3.06Å; T123-N125 VanDerWaalsContact C-N 3.32Å
126G85.4Confident88.1Confident25 Ų2567.1 Ų67.126%0.25834%0.343SS..  trans-79.7149.217100000112.2V121 F124V121-G126 WeakPolarHBondContact O-CA 3.46Å; V121-G126 PolarHBondContact O-N 3.41Å; F124-G126 PolarHBondContact O-N 3.2Å
127D90.2Very high88.6Confident114 Ų11464.7 Ų64.761%0.6132%0.322SS*.  trans-74.2129.1177.3-172.54.2000111K129D127-K129 VanDerWaalsContact OD1-CB 3.26Å; D127-K129 WeakPolarHBondContact OD1-CB 3.35Å; D127-K129 PolarHBondContact OD1-N 2.95Å
128V92Very high88.9Confident1 Ų164.8 Ų64.81%0.00632%0.32CS..  trans-123.74178.6-59.50000112.9L118 V121 W122 E130 Y131 L132 Y137L118-V128 HydrophobicContact CB-CG1 4.42Å; L118-V128 HydrophobicContact CD2-CB 4.28Å; L118-V128 HydrophobicContact CD2-CG1 4.12Å; V121-V128 HydrophobicContact CB-CG1 3.88Å; V121-V128 HydrophobicContact CG1-CG1 3.63Å; W122-V128 HydrophobicContact CB-CG1 4.34Å; W122-V128 HydrophobicContact CB-CG2 4.44Å; W122-V128 HydrophobicContact CD2-CG2 4.45Å; W122-V128 HydrophobicContact CE3-CG2 3.64Å; W122-V128 HydrophobicContact CZ3-CG2 4.29Å; V128-E130 VanDerWaalsContact C-N 3.35Å; V128-E130 PolarHBondContact O-N 2.87Å; V128-Y131 PolarHBondContact O-N 3.23Å; V128-L132 HydrophobicContact CB-CD1 4.35Å; V128-L132 HydrophobicContact CG2-CD1 3.64Å; V128-L132 HydrophobicContact CG2-CG 4.41Å; V128-Y137 HydrophobicContact CG2-CD2 4.38Å
129K92.9Very high89Confident96 Ų9664.7 Ų64.742%0.41732%0.323SS..G310 helixtrans-56.3-45.6-169.1-172.2169.1-177.7165.30112.8D127 Y131 L132 Y137D127-K129 VanDerWaalsContact OD1-CB 3.26Å; D127-K129 WeakPolarHBondContact OD1-CB 3.35Å; D127-K129 PolarHBondContact OD1-N 2.95Å; K129-Y131 PolarHBondContact O-N 3.44Å; K129-Y131 VanDerWaalsContact O-N 3.14Å; K129-L132 PolarHBondContact O-N 3.16Å; K129-Y137 VanDerWaalsContact CA-CD2 3.48Å; K129-Y137 HydrophobicContact CB-CD2 3.72Å; K129-Y137 HydrophobicContact CB-CE2 3.51Å; K129-Y137 HydrophobicContact CB-CG 4.4Å; K129-Y137 HydrophobicContact CD-CD1 4.36Å; K129-Y137 HydrophobicContact CD-CE1 4.08Å; K129-Y137 HydrophobicContact CD-CE2 4.31Å; K129-Y137 HydrophobicContact CG-CD1 4.25Å; K129-Y137 HydrophobicContact CG-CD2 3.89Å; K129-Y137 HydrophobicContact CG-CE1 4.32Å; K129-Y137 HydrophobicContact CG-CE2 3.92Å; K129-Y137 HydrophobicContact CG-CG 4.05Å
130E92.6Very high89.1Confident165 Ų16562.3 Ų62.377%0.77131%0.313SS*.G310 helixtrans-66-16.5-178.9-61.8-168.3162.300113.9V128V128-E130 VanDerWaalsContact C-N 3.35Å; V128-E130 PolarHBondContact O-N 2.87Å
131Y92.9Very high89.5Confident85 Ų8562.3 Ų62.333%0.33331%0.313SS..G310 helixtrans-99.1-5-176.3-52.2-70.7000113.6M1 I113 L118 V128 K129M1-Y131 WeakPolarHBondContact CG-O 3.42Å; M1-Y131 PolarHBondContact N-O 3.11Å; I113-Y131 HydrophobicContact CD1-CD1 3.65Å; I113-Y131 HydrophobicContact CD1-CG 4.43Å; I113-Y131 HydrophobicContact CG1-CD1 3.96Å; L118-Y131 HydrophobicContact CD2-CD2 3.86Å; L118-Y131 HydrophobicContact CD2-CG 3.92Å; V128-Y131 PolarHBondContact O-N 3.23Å; K129-Y131 PolarHBondContact O-N 3.44Å; K129-Y131 VanDerWaalsContact O-N 3.14Å
132L93.5Very high89.4Confident30 Ų3067.6 Ų67.616%0.15733%0.334CS..SBendtrans-120.4142.3-176.1-62.8-178.7000111.2L118 V128 K129 V136 V140L118-L132 HydrophobicContact CD1-CD2 3.55Å; L118-L132 HydrophobicContact CD1-CG 4.2Å; V128-L132 HydrophobicContact CB-CD1 4.35Å; V128-L132 HydrophobicContact CG2-CD1 3.64Å; V128-L132 HydrophobicContact CG2-CG 4.41Å; K129-L132 PolarHBondContact O-N 3.16Å; L132-V136 HydrophobicContact CB-CB 4.28Å; L132-V136 HydrophobicContact CB-CG1 4.46Å; L132-V136 HydrophobicContact CD1-CG1 4.22Å; L132-V136 HydrophobicContact CD2-CG1 3.96Å; L132-V136 HydrophobicContact CG-CG1 4.45Å; L132-V140 HydrophobicContact CD1-CG2 4.36Å
133P93.7Very high89.1Confident26 Ų2668.3 Ų68.317%0.16934%0.338CS..  trans-57.2146.9160.5-19.331.9000110.1M1 M4 A135 V136 Y137M1-P133 HydrophobicContact SD-CG 4.43Å; M4-P133 HydrophobicContact CE-CB 4.25Å; M4-P133 HydrophobicContact CE-CG 3.96Å; P133-A135 VanDerWaalsContact C-N 3.29Å; P133-A135 PolarHBondContact O-N 2.94Å; P133-V136 HydrophobicContact CB-CG2 4.15Å; P133-V136 HydrophobicContact CG-CG2 4.02Å; P133-V136 WeakPolarHBondContact O-CA 3.29Å; P133-V136 WeakPolarHBondContact O-CB 3.35Å; P133-V136 PolarHBondContact O-N 3.24Å; P133-Y137 PolarHBondContact O-N 3.38Å
134E93.7Very high88.9Confident96 Ų9671.6 Ų71.645%0.44936%0.359SS..Hα-helixtrans-52.4-43.7-174.6-176.363.1-158.200112.9V136 Y137 Q138E134-V136 VanDerWaalsContact C-N 3.29Å; E134-V136 PolarHBondContact O-N 2.73Å; E134-Y137 WeakPolarHBondContact O-CB 3.25Å; E134-Y137 PolarHBondContact O-N 3.4Å; E134-Y137 VanDerWaalsContact O-N 3.14Å; E134-Q138 WeakPolarHBondContact O-CG 3.32Å; E134-Q138 PolarHBondContact O-N 3.17Å; E134-Q138 PolarHBondContact OE1-NE2 3.14Å
135A94.4Very high88.3Confident17 Ų1767.7 Ų67.714%0.1435%0.345CS..Hα-helixtrans-63-33.317800000113.4E42 P133 A139E42-A135 HydrophobicContact CB-CB 3.92Å; E42-A135 HydrophobicContact CG-CB 3.61Å; P133-A135 VanDerWaalsContact C-N 3.29Å; P133-A135 PolarHBondContact O-N 2.94Å; A135-A139 WeakPolarHBondContact O-CB 3.41Å; A135-A139 PolarHBondContact O-N 3.41Å
136V93.4Very high87.7Confident30 Ų3066.7 Ų66.718%0.18234%0.343CS..Hα-helixtrans-72.5-42.1174.7-174.50000109.9I39 L132 P133 E134 A139 V140I39-V136 HydrophobicContact CG2-CB 4.07Å; I39-V136 HydrophobicContact CG2-CG2 3.44Å; I39-V136 VanDerWaalsContact CG2-CG2 3.44Å; L132-V136 HydrophobicContact CB-CB 4.28Å; L132-V136 HydrophobicContact CB-CG1 4.46Å; L132-V136 HydrophobicContact CD1-CG1 4.22Å; L132-V136 HydrophobicContact CD2-CG1 3.96Å; L132-V136 HydrophobicContact CG-CG1 4.45Å; P133-V136 HydrophobicContact CB-CG2 4.15Å; P133-V136 HydrophobicContact CG-CG2 4.02Å; P133-V136 WeakPolarHBondContact O-CA 3.29Å; P133-V136 WeakPolarHBondContact O-CB 3.35Å; P133-V136 PolarHBondContact O-N 3.24Å; E134-V136 VanDerWaalsContact C-N 3.29Å; E134-V136 PolarHBondContact O-N 2.73Å; V136-A139 PolarHBondContact O-N 3.19Å; V136-V140 HydrophobicContact CG1-CG2 4.34Å; V136-V140 WeakPolarHBondContact O-CB 3.46Å; V136-V140 VanDerWaalsContact O-CG2 3.24Å; V136-V140 WeakPolarHBondContact O-CG2 3.35Å; V136-V140 PolarHBondContact O-N 2.96Å
137Y93.2Very high87Confident31 Ų3169 Ų6912%0.12235%0.352CS..Hα-helixtrans-59.8-47.4177.6179.1-95.6000111.3W122 V128 K129 P133 E134 A139 V140 E141W122-Y137 AromaticContact CZ3-CE2 3.92Å; W122-Y137 HydrophobicContact CZ3-CE2 3.92Å; V128-Y137 HydrophobicContact CG2-CD2 4.38Å; K129-Y137 VanDerWaalsContact CA-CD2 3.48Å; K129-Y137 HydrophobicContact CB-CD2 3.72Å; K129-Y137 HydrophobicContact CB-CE2 3.51Å; K129-Y137 HydrophobicContact CB-CG 4.4Å; K129-Y137 HydrophobicContact CD-CD1 4.36Å; K129-Y137 HydrophobicContact CD-CE1 4.08Å; K129-Y137 HydrophobicContact CD-CE2 4.31Å; K129-Y137 HydrophobicContact CG-CD1 4.25Å; K129-Y137 HydrophobicContact CG-CD2 3.89Å; K129-Y137 HydrophobicContact CG-CE1 4.32Å; K129-Y137 HydrophobicContact CG-CE2 3.92Å; K129-Y137 HydrophobicContact CG-CG 4.05Å; P133-Y137 PolarHBondContact O-N 3.38Å; E134-Y137 WeakPolarHBondContact O-CB 3.25Å; E134-Y137 PolarHBondContact O-N 3.4Å; E134-Y137 VanDerWaalsContact O-N 3.14Å; Y137-A139 PolarHBondContact O-N 2.9Å; Y137-V140 PolarHBondContact O-N 2.9Å; Y137-E141 WeakPolarHBondContact CE1-OE2 3.34Å; Y137-E141 WeakPolarHBondContact O-CB 3.49Å; Y137-E141 PolarHBondContact O-N 2.97Å
138Q92.5Very high85.9Confident90 Ų9063.8 Ų63.842%0.42132%0.324SS..Hα-helixtrans-60.4-45.9177-69.9175.8-0.700112.1E134 V140 E141 E142E134-Q138 WeakPolarHBondContact O-CG 3.32Å; E134-Q138 PolarHBondContact O-N 3.17Å; E134-Q138 PolarHBondContact OE1-NE2 3.14Å; Q138-V140 VanDerWaalsContact C-N 3.27Å; Q138-V140 PolarHBondContact O-N 3.25Å; Q138-E141 WeakPolarHBondContact O-CB 3.19Å; Q138-E141 PolarHBondContact O-N 2.9Å; Q138-E141 VanDerWaalsContact O-N 3.13Å; Q138-E142 WeakPolarHBondContact O-CG 3.26Å; Q138-E142 PolarHBondContact O-N 3.38Å
139A90.9Very high85Confident18 Ų1865.3 Ų65.315%0.14934%0.337CS..Hα-helixtrans-65.4-30177.700000113.4F31 I39 A135 V136 Y137F31-A139 HydrophobicContact CE1-CB 3.98Å; F31-A139 HydrophobicContact CZ-CB 3.97Å; I39-A139 HydrophobicContact CD1-CB 3.41Å; I39-A139 VanDerWaalsContact CD1-CB 3.41Å; I39-A139 HydrophobicContact CG1-CB 3.64Å; A135-A139 WeakPolarHBondContact O-CB 3.41Å; A135-A139 PolarHBondContact O-N 3.41Å; V136-A139 PolarHBondContact O-N 3.19Å; Y137-A139 PolarHBondContact O-N 2.9Å
140V87.2Confident84.2Confident11 Ų1162.6 Ų62.67%0.06733%0.33CS..Hα-helixtrans-73-38.7173.2168.90000110.7Y30 F31 W122 L132 V136 Y137 Q138 K143Y30-V140 HydrophobicContact CE1-CG2 4.39Å; F31-V140 HydrophobicContact CE2-CG2 3.98Å; F31-V140 HydrophobicContact CZ-CG2 3.64Å; W122-V140 HydrophobicContact CB-CG1 4.43Å; W122-V140 HydrophobicContact CD2-CG1 3.33Å; W122-V140 HydrophobicContact CE3-CG1 3.96Å; W122-V140 HydrophobicContact CG-CG1 3.52Å; W122-V140 HydrophobicContact CH2-CG1 4.34Å; W122-V140 HydrophobicContact CZ2-CG1 3.85Å; W122-V140 WeakPolarHBondContact CZ2-O 3.02Å; W122-V140 HydrophobicContact CZ3-CG1 4.4Å; W122-V140 PolarHBondContact NE1-O 3.27Å; L132-V140 HydrophobicContact CD1-CG2 4.36Å; V136-V140 HydrophobicContact CG1-CG2 4.34Å; V136-V140 WeakPolarHBondContact O-CB 3.46Å; V136-V140 VanDerWaalsContact O-CG2 3.24Å; V136-V140 WeakPolarHBondContact O-CG2 3.35Å; V136-V140 PolarHBondContact O-N 2.96Å; Y137-V140 PolarHBondContact O-N 2.9Å; Q138-V140 VanDerWaalsContact C-N 3.27Å; Q138-V140 PolarHBondContact O-N 3.25Å; V140-K143 PolarHBondContact O-N 3.41Å
141E87.5Confident83.4Confident113 Ų11357.3 Ų57.353%0.52831%0.309SS..Hα-helixtrans-65.4-38.2177.1-168.8169.8-147.900113.2W122 Y137 Q138 K143W122-E141 HydrophobicContact CH2-CB 4.04Å; W122-E141 HydrophobicContact CH2-CG 4.26Å; W122-E141 HydrophobicContact CZ2-CB 4.33Å; Y137-E141 WeakPolarHBondContact CE1-OE2 3.34Å; Y137-E141 WeakPolarHBondContact O-CB 3.49Å; Y137-E141 PolarHBondContact O-N 2.97Å; Q138-E141 WeakPolarHBondContact O-CB 3.19Å; Q138-E141 PolarHBondContact O-N 2.9Å; Q138-E141 VanDerWaalsContact O-N 3.13Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 3.14Å
142E85.9Confident82.5Confident165 Ų16555.7 Ų55.777%0.77131%0.305SS*.Hα-helixtrans-72.8-20.6177.9-71.4178.7173.700113.6Q138 P144Q138-E142 WeakPolarHBondContact O-CG 3.26Å; Q138-E142 PolarHBondContact O-N 3.38Å; E142-P144 WeakPolarHBondContact O-CD 3.31Å
143K79.1Confident81.7Confident43 Ų4356.5 Ų56.519%0.18731%0.311CS..SBendtrans-84.5119.6-177.2-154.8156.2-164.8153.80110.3Y30 F31 E35 V140 E141 L145 V148Y30-K143 HydrophobicContact CD1-CD 4.23Å; Y30-K143 HydrophobicContact CE1-CD 3.74Å; Y30-K143 PolarHBondContact O-NZ 3.27Å; F31-K143 HydrophobicContact CD1-CD 4.38Å; F31-K143 HydrophobicContact CE1-CD 4.12Å; E35-K143 IonicContact OE1-NZ 2.84Å; E35-K143 PolarHBondContact OE1-NZ 3.05Å; E35-K143 VanDerWaalsContact OE1-NZ 3.13Å; E35-K143 IonicContact OE2-NZ 3.35Å; E35-K143 PolarHBondContact OE2-NZ 3.18Å; V140-K143 PolarHBondContact O-N 3.41Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 3.14Å; K143-L145 PolarHBondContact O-N 2.95Å; K143-V148 HydrophobicContact CG-CG2 4.28Å
144P71.7Confident81.2Confident79 Ų7958.5 Ų58.551%0.51332%0.324SS..  trans-58.1124.7-173.9-23.631.6000112.4E142 V146 V147 V148E142-P144 WeakPolarHBondContact O-CD 3.31Å; P144-V146 PolarHBondContact O-N 2.82Å; P144-V147 HydrophobicContact CB-CG2 4.1Å; P144-V147 HydrophobicContact CG-CG2 4.34Å; P144-V147 WeakPolarHBondContact O-CB 3.36Å; P144-V147 PolarHBondContact O-N 2.62Å; P144-V148 WeakPolarHBondContact O-CG2 3.31Å; P144-V148 PolarHBondContact O-N 3.2Å; P144-V148 VanDerWaalsContact O-N 3.17Å
145L70Confident80.9Confident57 Ų5755.9 Ų55.930%0.29831%0.313SS..Hα-helixtrans-50.4-31.6179.3-110.9126.7000113.4T123 K143 V148 A149T123-L145 WeakPolarHBondContact O-CD2 3.47Å; K143-L145 PolarHBondContact O-N 2.95Å; L145-V148 WeakPolarHBondContact O-CB 3.42Å; L145-V148 PolarHBondContact O-N 2.85Å; L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 3.32Å
146V69.7Low80.7Confident108 Ų10859.5 Ų59.566%0.65534%0.335SS*.Hα-helixtrans-66.3-45.1176.11790000111.7P144 V148 A149 C150P144-V146 PolarHBondContact O-N 2.82Å; V146-V148 VanDerWaalsContact C-N 3.25Å; V146-V148 PolarHBondContact O-N 2.76Å; V146-A149 PolarHBondContact O-N 3.3Å; V146-C150 WeakPolarHBondContact O-CB 3.28Å; V146-C150 PolarHBondContact O-N 3.27Å; V146-C150 PolarHBondContact O-SG 2.84Å
147V70.2Confident80.7Confident75 Ų7563.2 Ų63.246%0.45535%0.346SS..Hα-helixtrans-62.6-41.3177.8174.90000109.7P144 C150 V151P144-V147 HydrophobicContact CB-CG2 4.1Å; P144-V147 HydrophobicContact CG-CG2 4.34Å; P144-V147 WeakPolarHBondContact O-CB 3.36Å; P144-V147 PolarHBondContact O-N 2.62Å; V147-C150 PolarHBondContact O-N 3.35Å; V147-V151 VanDerWaalsContact O-CG2 3.3Å; V147-V151 WeakPolarHBondContact O-CG2 3.39Å; V147-V151 PolarHBondContact O-N 3.1Å
148V67.6Low80.6Confident4 Ų462.6 Ų62.62%0.02434%0.344CS..Hα-helixtrans-59.5-52.5175.4171.30000110.9Y30 T123 K143 P144 L145 V146 C150 V151 I152Y30-V148 HydrophobicContact CE2-CB 4.02Å; Y30-V148 HydrophobicContact CE2-CG1 3.49Å; Y30-V148 VanDerWaalsContact CE2-CG1 3.49Å; Y30-V148 HydrophobicContact CE2-CG2 3.59Å; Y30-V148 VanDerWaalsContact CZ-CG2 3.46Å; Y30-V148 WeakPolarHBondContact OH-CG2 3.49Å; T123-V148 HydrophobicContact CG2-CG1 4.19Å; T123-V148 WeakPolarHBondContact OG1-CG1 3.44Å; K143-V148 HydrophobicContact CG-CG2 4.28Å; P144-V148 WeakPolarHBondContact O-CG2 3.31Å; P144-V148 PolarHBondContact O-N 3.2Å; P144-V148 VanDerWaalsContact O-N 3.17Å; L145-V148 WeakPolarHBondContact O-CB 3.42Å; L145-V148 PolarHBondContact O-N 2.85Å; V146-V148 VanDerWaalsContact C-N 3.25Å; V146-V148 PolarHBondContact O-N 2.76Å; V148-C150 VanDerWaalsContact C-N 3.32Å; V148-C150 PolarHBondContact O-N 3.36Å; V148-V151 PolarHBondContact O-N 3.18Å; V148-I152 HydrophobicContact CG1-CD1 3.97Å; V148-I152 HydrophobicContact CG1-CG1 4.26Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å; V148-I152 PolarHBondContact O-N 2.97Å
149A72Confident80.6Confident33 Ų3358.3 Ų58.327%0.27332%0.324SS..Hα-helixtrans-58.2-44.1178.900000111.6T123 L145 V146 V151 I152 V153T123-A149 HydrophobicContact CG2-CB 4.16Å; L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 3.32Å; V146-A149 PolarHBondContact O-N 3.3Å; A149-V151 PolarHBondContact O-N 2.71Å; A149-I152 PolarHBondContact O-N 3.17Å; A149-V153 HydrophobicContact CB-CG2 4.03Å; A149-V153 VanDerWaalsContact O-CB 3.27Å; A149-V153 WeakPolarHBondContact O-CB 3.17Å; A149-V153 PolarHBondContact O-N 2.63Å
150C77.6Confident80.8Confident39 Ų3958.9 Ų58.926%0.26432%0.324SS..Hα-helixtrans-60.7-27.8177.1-72.40000113.8V146 V147 V148 T196 V197 F198V146-C150 WeakPolarHBondContact O-CB 3.28Å; V146-C150 PolarHBondContact O-N 3.27Å; V146-C150 PolarHBondContact O-SG 2.84Å; V147-C150 PolarHBondContact O-N 3.35Å; V148-C150 VanDerWaalsContact C-N 3.32Å; V148-C150 PolarHBondContact O-N 3.36Å; C150-T196 WeakPolarHBondContact O-CB 3.41Å; C150-T196 PolarHBondContact O-OG1 2.83Å; C150-V197 HydrophobicContact CB-CB 4.11Å; C150-V197 PolarHBondContact O-N 3.09Å; C150-F198 WeakPolarHBondContact O-CB 3.32Å; C150-F198 PolarHBondContact O-N 2.98Å
151V74.9Confident81.1Confident54 Ų5461 Ų6133%0.32733%0.333SS..Hα-helixtrans-88.6-36.1-179.81740000111.9V147 V148 A149 T196 F198V147-V151 VanDerWaalsContact O-CG2 3.3Å; V147-V151 WeakPolarHBondContact O-CG2 3.39Å; V147-V151 PolarHBondContact O-N 3.1Å; V148-V151 PolarHBondContact O-N 3.18Å; A149-V151 PolarHBondContact O-N 2.71Å; V151-T196 WeakPolarHBondContact O-CG2 3.25Å; V151-T196 PolarHBondContact O-OG1 3.26Å; V151-F198 HydrophobicContact CG2-CB 4.3Å; V151-F198 HydrophobicContact CG2-CG 4.46Å
152I73.2Confident81.5Confident51 Ų5157.5 Ų57.526%0.26232%0.32SS..Hα-helixtrans-111.3-25.6-169.179.1170.1000115.3K119 T123 V148 A149 P154K119-I152 HydrophobicContact CB-CD1 4.38Å; T123-I152 HydrophobicContact CG2-CD1 3.93Å; T123-I152 HydrophobicContact CG2-CG1 4.1Å; T123-I152 WeakPolarHBondContact OG1-CD1 3.19Å; V148-I152 HydrophobicContact CG1-CD1 3.97Å; V148-I152 HydrophobicContact CG1-CG1 4.26Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å; V148-I152 PolarHBondContact O-N 2.97Å; A149-I152 PolarHBondContact O-N 3.17Å; I152-P154 WeakPolarHBondContact O-CD 3.15Å
153V76.4Confident81.8Confident47 Ų4750.7 Ų50.729%0.28529%0.293SS..SBendtrans-83.7118.3-176.4178.90000108.8T123 A149 T196T123-V153 HydrophobicContact CG2-CG2 3.8Å; A149-V153 HydrophobicContact CB-CG2 4.03Å; A149-V153 VanDerWaalsContact O-CB 3.27Å; A149-V153 WeakPolarHBondContact O-CB 3.17Å; A149-V153 PolarHBondContact O-N 2.63Å; V153-T196 WeakPolarHBondContact O-CG2 3.38Å
154P83.5Confident82.4Confident67 Ų6755.2 Ų55.244%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-68141.9175.727.8-32.6000111.1I152 R194 A195I152-P154 WeakPolarHBondContact O-CD 3.15Å; P154-R194 HydrophobicContact CB-CB 4.25Å; P154-R194 HydrophobicContact CB-CG 3.93Å; P154-A195 CarbonylContact C-O 3.58Å; P154-A195 VanDerWaalsContact CA-O 3.25Å; P154-A195 WeakPolarHBondContact CA-O 3.48Å
155I88.9Confident83.5Confident41 Ų4152.9 Ų52.921%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-100.2163.4172.459.3168.8000109.1Y157 A195 V197 A200I155-Y157 HydrophobicContact CB-CD2 4.5Å; I155-Y157 HydrophobicContact CD1-CD2 3.9Å; I155-Y157 HydrophobicContact CD1-CG 4.38Å; I155-Y157 HydrophobicContact CG1-CD2 4.18Å; I155-Y157 PolarHBondContact O-N 3.16Å; I155-A195 HydrophobicContact CD1-CB 4.11Å; I155-A195 HydrophobicContact CG1-CB 3.85Å; I155-A195 VanDerWaalsContact CG1-O 3.29Å; I155-A195 WeakPolarHBondContact CG1-O 3.44Å; I155-A195 PolarHBondContact N-O 3.31Å; I155-V197 HydrophobicContact CG2-CG2 3.91Å; I155-A200 HydrophobicContact CD1-CB 4.06Å
156P90.3Very high84.6Confident93 Ų9351.2 Ų51.260%0.60429%0.291SS*.EExtended strand (participates in β ladder)trans-74.944.9-178.432.8-38000113.2A214P156-A214 WeakPolarHBondContact O-CB 3.42Å; P156-A214 PolarHBondContact O-N 3.49Å
157Y91.5Very high85.9Confident108 Ų10847.9 Ų47.942%0.42427%0.27SS..EExtended strand (participates in β ladder)trans-135151.3178.1-69.4-93.1000109.2I155 A195 I211 I212I155-Y157 HydrophobicContact CB-CD2 4.5Å; I155-Y157 HydrophobicContact CD1-CD2 3.9Å; I155-Y157 HydrophobicContact CD1-CG 4.38Å; I155-Y157 HydrophobicContact CG1-CD2 4.18Å; I155-Y157 PolarHBondContact O-N 3.16Å; Y157-A195 VanDerWaalsContact O-CB 3.3Å; Y157-A195 WeakPolarHBondContact O-CB 3.3Å; Y157-A195 PolarHBondContact O-N 2.96Å; Y157-I211 HydrophobicContact CD1-CG2 3.77Å; Y157-I211 HydrophobicContact CG-CG2 4.18Å; Y157-I212 CarbonylContact C-O 3.58Å; Y157-I212 WeakPolarHBondContact CA-O 3.49Å
158Y92.3Very high87.1Confident19 Ų1944.3 Ų44.38%0.07525%0.248CC..EExtended strand (participates in β ladder)trans-115.2157.7171-67.7-100000109.2I192 R193 R194 I211 I212 A214 L217 D223Y158-I192 HydrophobicContact CD1-CG2 3.65Å; Y158-I192 HydrophobicContact CG-CG2 4.19Å; Y158-R193 CarbonylContact C-O 3.59Å; Y158-R193 VanDerWaalsContact CA-O 3.23Å; Y158-R193 WeakPolarHBondContact CA-O 3.34Å; Y158-R194 HydrophobicContact CD1-CG 4.36Å; Y158-R194 HydrophobicContact CE1-CB 4.29Å; Y158-R194 HydrophobicContact CE1-CG 3.88Å; Y158-R194 PolarHBondContact OH-NE 3.37Å; Y158-R194 VanDerWaalsContact OH-NE 3.17Å; Y158-R194 PolarHBondContact OH-NH2 2.89Å; Y158-I211 WeakPolarHBondContact O-CA 3.41Å; Y158-I212 PolarHBondContact N-O 2.95Å; Y158-I212 PolarHBondContact O-N 3.34Å; Y158-A214 HydrophobicContact CD2-CB 4.12Å; Y158-A214 HydrophobicContact CE2-CB 3.67Å; Y158-L217 HydrophobicContact CD1-CD2 4.05Å; Y158-L217 HydrophobicContact CD2-CD2 3.79Å; Y158-L217 HydrophobicContact CE2-CD2 4.41Å; Y158-L217 HydrophobicContact CG-CD2 3.61Å; Y158-D223 PolarHBondContact OH-OD1 3.26Å; Y158-D223 PolarHBondContact OH-OD2 3.41Å
159I92.4Very high88.4Confident0 Ų046.2 Ų46.20%026%0.256CS..EExtended strand (participates in β ladder)trans-112.2119.9169.6-60.9159.3000106.5R193 A195 T199 H209 E210 I211I159-R193 HydrophobicContact CB-CG 3.97Å; I159-R193 PolarHBondContact N-O 3.37Å; I159-R193 PolarHBondContact O-N 2.83Å; I159-A195 HydrophobicContact CD1-CB 3.95Å; I159-A195 HydrophobicContact CG1-CB 3.93Å; I159-T199 VanDerWaalsContact CD1-C 3.49Å; I159-T199 WeakPolarHBondContact CD1-O 3.24Å; I159-T199 WeakPolarHBondContact CD1-OG1 3.42Å; I159-H209 HydrophobicContact CG2-CB 4.39Å; I159-E210 CarbonylContact C-O 3.49Å; I159-E210 VanDerWaalsContact CA-O 3.3Å; I159-E210 WeakPolarHBondContact CA-O 3.44Å; I159-I211 HydrophobicContact CG1-CG1 4.43Å
160E94.1Very high89.3Confident30 Ų3051.8 Ų51.814%0.1428%0.276CS..EExtended strand (participates in β ladder)trans-84.4135.4164.2-67-167.5170.100109.4V190 G191 I192 H209 E210 I212 K407E160-V190 HydrophobicContact CB-CG1 3.96Å; E160-V190 HydrophobicContact CG-CG1 4.24Å; E160-G191 CarbonylContact C-O 3.53Å; E160-G191 WeakPolarHBondContact CA-O 3.41Å; E160-I192 HydrophobicContact CG-CG1 4.45Å; E160-H209 WeakPolarHBondContact O-CA 3.37Å; E160-E210 HydrophobicContact CB-CB 4.49Å; E160-E210 PolarHBondContact N-O 3.16Å; E160-E210 PolarHBondContact O-N 2.95Å; E160-I212 HydrophobicContact CG-CG2 4.21Å; E160-K407 HydrophobicContact CB-CD 3.83Å; E160-K407 VanDerWaalsContact CB-CE 3.46Å; E160-K407 IonicContact OE2-NZ 3.99Å; E160-K407 PolarHBondContact OE2-NZ 2.7Å
161E94.2Very high90.1Very high55 Ų5551.1 Ų51.126%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-140.4164.5179.569.8-173.313400111.5G163 V190 G191 R193 H209E161-G163 PolarHBondContact O-N 2.94Å; E161-V190 WeakPolarHBondContact O-CG1 3.46Å; E161-G191 PolarHBondContact N-O 2.92Å; E161-G191 PolarHBondContact O-N 3.46Å; E161-R193 IonicContact OE1-CZ 2.62Å; E161-R193 IonicContact OE1-NH1 3.34Å; E161-R193 PolarHBondContact OE1-NH1 3.24Å; E161-R193 IonicContact OE2-CZ 2.72Å; E161-R193 IonicContact OE2-NH1 3.1Å; E161-R193 PolarHBondContact OE2-NH1 2.84Å; E161-H209 IonicContact OE2-NE2 2.8Å; E161-H209 PolarHBondContact OE2-NE2 3.31Å
162P95.5Very high91.1Very high40 Ų4048.7 Ų48.726%0.2626%0.255SS..EExtended strand (participates in β ladder)trans-54.1123.9169.7-24.936.3000110.7F208 K407 A410P162-F208 HydrophobicContact CG-CB 3.73Å; P162-K407 HydrophobicContact CG-CB 4.45Å; P162-A410 HydrophobicContact CB-CB 4.19Å; P162-A410 HydrophobicContact CG-CB 3.95Å
163G92.2Very high92.2Very high21 Ų2147.8 Ų47.822%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-90.2-155.1176.100000112.4E161 S189 S411E161-G163 PolarHBondContact O-N 2.94Å; G163-S189 WeakPolarHBondContact CA-O 3.16Å; G163-S189 PolarHBondContact N-O 3.41Å; G163-S411 PolarHBondContact N-OG 3.26Å; G163-S411 VanDerWaalsContact N-OG 3.08Å; G163-S411 VanDerWaalsContact O-CB 3.28Å; G163-S411 WeakPolarHBondContact O-CB 3.43Å; G163-S411 PolarHBondContact O-OG 3.49Å
164E91.7Very high93.2Very high138 Ų13845.8 Ų45.865%0.64524%0.24SC*.EExtended strand (participates in β ladder)trans-86156.3-179.3-62.6-176.6153.400112I166 T188 S189E164-I166 HydrophobicContact CB-CD1 4.22Å; E164-I166 HydrophobicContact CB-CG1 3.88Å; E164-T188 WeakPolarHBondContact O-CA 2.94Å; E164-S189 PolarHBondContact N-OG 2.88Å; E164-S189 PolarHBondContact O-N 3.35Å; E164-S189 PolarHBondContact O-OG 2.81Å
165T94.9Very high93.7Very high30 Ų3045.7 Ų45.718%0.18424%0.235CC..EExtended strand (participates in β ladder)trans-106112.7164-57.30000108.2L187 T188 A388 S411 A412 S415T165-L187 CarbonylContact C-O 3.49Å; T165-L187 WeakPolarHBondContact CA-O 3.4Å; T165-T188 HydrophobicContact CG2-CG2 4.17Å; T165-A388 HydrophobicContact CG2-CB 4.48Å; T165-S411 PolarHBondContact OG1-O 3.14Å; T165-A412 PolarHBondContact OG1-N 2.89Å; T165-S415 VanDerWaalsContact CB-OG 3.3Å; T165-S415 WeakPolarHBondContact CB-OG 3.25Å; T165-S415 PolarHBondContact OG1-OG 3.24Å
166I94.5Very high93.8Very high22 Ų2249.5 Ų49.511%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-110.3127.7-168-55.7172.6000109.1E164 L168 L171 S186 L187 I359E164-I166 HydrophobicContact CB-CD1 4.22Å; E164-I166 HydrophobicContact CB-CG1 3.88Å; I166-L168 PolarHBondContact O-N 3.45Å; I166-L171 HydrophobicContact CG2-CD1 3.8Å; I166-L171 HydrophobicContact CG2-CD2 4Å; I166-L171 HydrophobicContact CG2-CG 4.04Å; I166-S186 CarbonylContact O-C 3.43Å; I166-S186 WeakPolarHBondContact O-CA 3.29Å; I166-S186 VanDerWaalsContact O-CB 3.31Å; I166-S186 WeakPolarHBondContact O-CB 3.46Å; I166-L187 HydrophobicContact CB-CD1 4.08Å; I166-L187 HydrophobicContact CB-CG 4.28Å; I166-L187 HydrophobicContact CD1-CD1 4.2Å; I166-L187 HydrophobicContact CG1-CD1 4.36Å; I166-L187 PolarHBondContact N-O 2.92Å; I166-L187 PolarHBondContact O-N 2.84Å; I166-I359 HydrophobicContact CD1-CD1 3.45Å; I166-I359 VanDerWaalsContact CD1-CD1 3.45Å; I166-I359 HydrophobicContact CD1-CG1 4.22Å
167D95.5Very high94Very high39 Ų3952.3 Ų52.321%0.20926%0.259CS..EExtended strand (participates in β ladder)trans-71.4123.9178-164.6-27000110.3K169 E170 S184D167-K169 PolarHBondContact O-N 3.46Å; D167-K169 VanDerWaalsContact O-N 3.15Å; D167-K169 WeakPolarHBondContact OD1-CB 3.48Å; D167-K169 WeakPolarHBondContact OD1-CG 3.5Å; D167-K169 PolarHBondContact OD1-N 2.65Å; D167-E170 WeakPolarHBondContact O-CB 3.34Å; D167-E170 PolarHBondContact O-N 3.37Å; D167-E170 VanDerWaalsContact O-N 3.08Å; D167-S184 WeakPolarHBondContact OD1-CB 3.33Å; D167-S184 WeakPolarHBondContact OD2-CB 3.48Å
168L96.2Very high93.9Very high0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-66.3-17.1-178-65.1-172000113.3I166 E170 L171 I172 F185 L187 M367 F368 E371I166-L168 PolarHBondContact O-N 3.45Å; L168-E170 PolarHBondContact O-N 3.19Å; L168-L171 HydrophobicContact CD2-CD1 4.03Å; L168-L171 PolarHBondContact O-N 2.92Å; L168-I172 HydrophobicContact CB-CD1 4.36Å; L168-I172 HydrophobicContact CD1-CD1 4.37Å; L168-I172 PolarHBondContact O-N 3.41Å; L168-F185 WeakPolarHBondContact CB-O 3.45Å; L168-F185 HydrophobicContact CD1-CB 3.94Å; L168-F185 HydrophobicContact CG-CB 4.41Å; L168-F185 WeakPolarHBondContact CG-O 3.47Å; L168-F185 PolarHBondContact N-O 2.95Å; L168-L187 HydrophobicContact CD2-CB 4.16Å; L168-L187 HydrophobicContact CD2-CD2 3.75Å; L168-L187 HydrophobicContact CD2-CG 4.02Å; L168-M367 VanDerWaalsContact CD1-C 3.43Å; L168-M367 HydrophobicContact CD1-CB 3.79Å; L168-M367 WeakPolarHBondContact CD1-O 3.48Å; L168-F368 HydrophobicContact CD1-CD1 4.24Å; L168-F368 HydrophobicContact CD2-CD1 3.79Å; L168-F368 HydrophobicContact CD2-CE1 3.66Å; L168-E371 HydrophobicContact CB-CB 4.16Å; L168-E371 HydrophobicContact CB-CG 3.89Å; L168-E371 HydrophobicContact CD1-CB 3.74Å; L168-E371 HydrophobicContact CD1-CG 4.39Å
169K94.4Very high93.9Very high44 Ų4454 Ų5419%0.19127%0.269CS..Hα-helixtrans-57.2-29.2170.8-67-178.7172.3-173.20113.5D167 D179 D181 G183 R382D167-K169 PolarHBondContact O-N 3.46Å; D167-K169 VanDerWaalsContact O-N 3.15Å; D167-K169 WeakPolarHBondContact OD1-CB 3.48Å; D167-K169 WeakPolarHBondContact OD1-CG 3.5Å; D167-K169 PolarHBondContact OD1-N 2.65Å; K169-D179 WeakPolarHBondContact CE-OD2 3.41Å; K169-D179 HydrophobicContact CG-CB 3.88Å; K169-D179 VanDerWaalsContact CG-OD2 3.29Å; K169-D179 WeakPolarHBondContact CG-OD2 3.48Å; K169-D181 PolarHBondContact NZ-O 2.99Å; K169-G183 WeakPolarHBondContact CE-O 3.24Å; K169-G183 PolarHBondContact NZ-O 3.4Å; K169-R382 VanDerWaalsContact CE-NH1 3.31Å
170E92.3Very high93.9Very high149 Ų14962.5 Ų62.570%0.69631%0.309SS*.Hα-helixtrans-82.3-23.3-179.8-60.8179.9-176.300111.6D167 L168D167-E170 WeakPolarHBondContact O-CB 3.34Å; D167-E170 PolarHBondContact O-N 3.37Å; D167-E170 VanDerWaalsContact O-N 3.08Å; L168-E170 PolarHBondContact O-N 3.19Å
171L93.9Very high93.7Very high25 Ų2564.2 Ų64.213%0.13132%0.32CS..Hα-helixtrans-104.4-28-170.7-49.5-175.1000113.1I166 L168 L187 V354 D355 I359I166-L171 HydrophobicContact CG2-CD1 3.8Å; I166-L171 HydrophobicContact CG2-CD2 4Å; I166-L171 HydrophobicContact CG2-CG 4.04Å; L168-L171 HydrophobicContact CD2-CD1 4.03Å; L168-L171 PolarHBondContact O-N 2.92Å; L171-L187 HydrophobicContact CD1-CD2 3.77Å; L171-V354 CarbonylContact O-C 3.57Å; L171-V354 WeakPolarHBondContact O-CA 3.35Å; L171-D355 WeakPolarHBondContact CB-O 3.26Å; L171-D355 VanDerWaalsContact CD2-O 3.28Å; L171-D355 WeakPolarHBondContact CD2-O 3.5Å; L171-D355 PolarHBondContact O-N 3.24Å; L171-I359 HydrophobicContact CD1-CD1 4.37Å
172I96.2Very high93.6Very high3 Ų370 Ų702%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-118.1133.9-169.2-52.2-172.6000111.7L168 V174 K353 V354 F368 E371 I372L168-I172 HydrophobicContact CB-CD1 4.36Å; L168-I172 HydrophobicContact CD1-CD1 4.37Å; L168-I172 PolarHBondContact O-N 3.41Å; I172-V174 HydrophobicContact CG2-CG2 4.23Å; I172-K353 WeakPolarHBondContact CA-O 3.33Å; I172-V354 HydrophobicContact CD1-CG2 4.34Å; I172-V354 HydrophobicContact CG1-CG1 4.25Å; I172-V354 HydrophobicContact CG1-CG2 4.18Å; I172-V354 HydrophobicContact CG2-CG2 4.5Å; I172-F368 HydrophobicContact CD1-CB 4.29Å; I172-F368 HydrophobicContact CD1-CD1 3.64Å; I172-F368 HydrophobicContact CD1-CE1 4.3Å; I172-F368 HydrophobicContact CD1-CG 4.24Å; I172-E371 HydrophobicContact CB-CG 4.08Å; I172-E371 HydrophobicContact CD1-CB 3.93Å; I172-E371 HydrophobicContact CD1-CG 3.83Å; I172-E371 HydrophobicContact CG1-CG 4.38Å; I172-E371 HydrophobicContact CG2-CG 4.32Å; I172-I372 HydrophobicContact CD1-CG1 4.22Å; I172-I372 HydrophobicContact CG2-CG1 3.91Å
173T95.7Very high93.5Very high32 Ų3269 Ų6920%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-127.6140.2165.757.60000110.1K177 K178 K353T173-K177 WeakPolarHBondContact CA-O 3.46Å; T173-K178 HydrophobicContact CG2-CG 3.82Å; T173-K353 PolarHBondContact N-O 2.71Å; T173-K353 PolarHBondContact O-N 3.27Å
174V96.3Very high93.6Very high6 Ų668.1 Ų68.14%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-123.2123.8176.2-179.20000108.4I172 D176 K177 K351 V352 I372 R375 L376I172-V174 HydrophobicContact CG2-CG2 4.23Å; V174-D176 VanDerWaalsContact C-N 3.26Å; V174-D176 PolarHBondContact O-N 2.92Å; V174-K177 PolarHBondContact N-O 3.09Å; V174-K177 VanDerWaalsContact N-O 3.16Å; V174-K177 WeakPolarHBondContact O-CB 3.47Å; V174-K177 PolarHBondContact O-N 2.96Å; V174-K351 CarbonylContact C-O 3.51Å; V174-K351 WeakPolarHBondContact CA-O 3.06Å; V174-V352 HydrophobicContact CG1-CG2 4.37Å; V174-V352 HydrophobicContact CG2-CG1 4.38Å; V174-V352 HydrophobicContact CG2-CG2 4.33Å; V174-I372 HydrophobicContact CG2-CG2 4.27Å; V174-R375 HydrophobicContact CB-CB 3.81Å; V174-R375 HydrophobicContact CB-CG 4.48Å; V174-R375 HydrophobicContact CG1-CB 4.28Å; V174-R375 HydrophobicContact CG2-CB 3.67Å; V174-R375 HydrophobicContact CG2-CG 4.14Å; V174-L376 HydrophobicContact CG1-CD2 3.73Å; V174-L376 HydrophobicContact CG1-CG 4.22Å
175N94.8Very high93.8Very high64 Ų6461.6 Ų61.634%0.34230%0.3SS..THydrogen-bonded Turntrans52.144.3-174.8-61.9-38.4000113K177 E350 K351N175-K177 PolarHBondContact O-N 3.28Å; N175-K177 VanDerWaalsContact O-N 3.09Å; N175-E350 PolarHBondContact ND2-OE2 3.38Å; N175-E350 WeakPolarHBondContact OD1-CA 3.22Å; N175-K351 PolarHBondContact N-O 2.84Å; N175-K351 PolarHBondContact OD1-N 3.11Å
176D91.7Very high93.9Very high122 Ų12260.4 Ų60.465%0.65229%0.294SS*.THydrogen-bonded Turntrans60.915-179.4-53.5-54.4000113.8V174 K351V174-D176 VanDerWaalsContact C-N 3.26Å; V174-D176 PolarHBondContact O-N 2.92Å; D176-K351 IonicContact OD2-NZ 2.7Å; D176-K351 PolarHBondContact OD2-NZ 3.26Å
177K92.9Very high93.9Very high152 Ų15259.6 Ų59.666%0.66129%0.289SS*.BIsolated β-bridgetrans-104.5135.4175-63.6-179.7-179.7-178.40111T173 V174 N175T173-K177 WeakPolarHBondContact CA-O 3.46Å; V174-K177 PolarHBondContact N-O 3.09Å; V174-K177 VanDerWaalsContact N-O 3.16Å; V174-K177 WeakPolarHBondContact O-CB 3.47Å; V174-K177 PolarHBondContact O-N 2.96Å; N175-K177 PolarHBondContact O-N 3.28Å; N175-K177 VanDerWaalsContact O-N 3.09Å
178K90.3Very high94Very high151 Ų15157.9 Ų57.966%0.65728%0.28SS*.  trans-86.5156.4168.9-70.9-173.6174.2-164.80110.2T173T173-K178 HydrophobicContact CG2-CG 3.82Å
179D93.4Very high93.8Very high10 Ų1059 Ų595%0.05329%0.288CS..  trans-83.2120.7173.1173.320.9000111.4K169 D181 E371 R375 R382K169-D179 WeakPolarHBondContact CE-OD2 3.41Å; K169-D179 HydrophobicContact CG-CB 3.88Å; K169-D179 VanDerWaalsContact CG-OD2 3.29Å; K169-D179 WeakPolarHBondContact CG-OD2 3.48Å; D179-D181 PolarHBondContact OD1-N 3.22Å; D179-E371 WeakPolarHBondContact CB-OE1 3.24Å; D179-R375 VanDerWaalsContact CG-CZ 3.45Å; D179-R375 IonicContact OD1-CZ 3.4Å; D179-R375 IonicContact OD1-NE 2.71Å; D179-R375 IonicContact OD1-NH1 3.27Å; D179-R375 PolarHBondContact OD1-NH1 2.91Å; D179-R375 IonicContact OD1-NH2 2.63Å; D179-R375 PolarHBondContact OD1-NH2 2.66Å; D179-R375 IonicContact OD2-CZ 3.41Å; D179-R375 IonicContact OD2-NH1 3.81Å; D179-R375 PolarHBondContact OD2-NH1 2.79Å; D179-R375 VanDerWaalsContact OD2-NH1 3.08Å; D179-R382 VanDerWaalsContact CG-NH2 3.28Å; D179-R382 IonicContact OD1-CZ 3.6Å; D179-R382 IonicContact OD1-NH1 3.36Å; D179-R382 IonicContact OD1-NH2 3.16Å; D179-R382 PolarHBondContact OD1-NH2 3.12Å; D179-R382 IonicContact OD2-CZ 3.49Å; D179-R382 IonicContact OD2-NH1 3.04Å; D179-R382 PolarHBondContact OD2-NH1 3.47Å; D179-R382 IonicContact OD2-NH2 4Å; D179-R382 PolarHBondContact OD2-NH2 2.85Å
180E91.4Very high93.7Very high180 Ų18058.6 Ų58.684%0.84129%0.29SS*.  trans-115-0.2179.2-61.6-174.8171.800112.8
181D90.7Very high93.7Very high66 Ų6652.4 Ų52.435%0.35327%0.265SS..SBendtrans-70.1163-174.2-66.8-39.2000111.9K169 D179 R375 R382K169-D181 PolarHBondContact NZ-O 2.99Å; D179-D181 PolarHBondContact OD1-N 3.22Å; D181-R375 IonicContact OD2-CZ 3.27Å; D181-R375 IonicContact OD2-NH2 2.65Å; D181-R375 PolarHBondContact OD2-NH2 3.08Å; D181-R382 IonicContact OD2-NH2 2.77Å
182K91.9Very high93.6Very high176 Ų17654.7 Ų54.777%0.76528%0.277SS*.SBendtrans-71.1147179-69.2-176.1179.7178.40111.6G384K182-G384 WeakPolarHBondContact O-CA 3.48Å
183G92.1Very high93.2Very high18 Ų1857.3 Ų57.319%0.18629%0.287CS..SBendtrans86-175.9-175.100000111.7K169 R382 K385K169-G183 WeakPolarHBondContact CE-O 3.24Å; K169-G183 PolarHBondContact NZ-O 3.4Å; G183-R382 PolarHBondContact O-NH1 3.1Å; G183-K385 CarbonylContact C-O 3.49Å; G183-K385 WeakPolarHBondContact CA-O 3.43Å
184S94.9Very high92.9Very high4 Ų461.8 Ų61.83%0.02830%0.3CS..EExtended strand (participates in β ladder)trans-155.7146.9179.358.20000111.1D167 K385 I387D167-S184 WeakPolarHBondContact OD1-CB 3.33Å; D167-S184 WeakPolarHBondContact OD2-CB 3.48Å; S184-K385 PolarHBondContact N-O 3.31Å; S184-I387 PolarHBondContact O-N 3.29Å
185F96.1Very high92.6Very high0 Ų061.5 Ų61.50%030%0.298CS..EExtended strand (participates in β ladder)trans-95.1136.2155.5-72.8-55.6000107.7L168 M367 L370 E371 E374 L381 R382 I387 F421 L471L168-F185 WeakPolarHBondContact CB-O 3.45Å; L168-F185 HydrophobicContact CD1-CB 3.94Å; L168-F185 HydrophobicContact CG-CB 4.41Å; L168-F185 WeakPolarHBondContact CG-O 3.47Å; L168-F185 PolarHBondContact N-O 2.95Å; F185-M367 HydrophobicContact CB-CE 3.96Å; F185-M367 HydrophobicContact CD1-CE 3.77Å; F185-M367 HydrophobicContact CG-CE 4.21Å; F185-L370 HydrophobicContact CD1-CB 4.45Å; F185-L370 HydrophobicContact CD1-CD1 4.01Å; F185-L370 HydrophobicContact CD2-CB 4.03Å; F185-L370 HydrophobicContact CE1-CB 4.36Å; F185-L370 HydrophobicContact CE1-CD1 3.74Å; F185-L370 HydrophobicContact CE2-CB 3.91Å; F185-L370 HydrophobicContact CG-CB 4.31Å; F185-L370 HydrophobicContact CZ-CB 4.09Å; F185-L370 HydrophobicContact CZ-CD1 4.12Å; F185-L370 HydrophobicContact CZ-CD2 4.28Å; F185-L370 HydrophobicContact CZ-CG 4.43Å; F185-E371 HydrophobicContact CD2-CB 4.4Å; F185-E374 HydrophobicContact CE2-CB 4.45Å; F185-E374 VanDerWaalsContact CE2-OE2 3.26Å; F185-E374 WeakPolarHBondContact CE2-OE2 3.47Å; F185-L381 HydrophobicContact CZ-CB 4.42Å; F185-R382 HydrophobicContact CD1-CG 4.15Å; F185-R382 HydrophobicContact CD2-CG 3.96Å; F185-R382 HydrophobicContact CE1-CG 3.74Å; F185-R382 HydrophobicContact CE2-CG 3.55Å; F185-R382 HydrophobicContact CG-CG 4.24Å; F185-R382 HydrophobicContact CZ-CG 3.43Å; F185-R382 VanDerWaalsContact CZ-CG 3.43Å; F185-I387 CarbonylContact C-O 3.59Å; F185-I387 VanDerWaalsContact CA-O 3.32Å; F185-I387 WeakPolarHBondContact CA-O 3.42Å; F185-I387 HydrophobicContact CD1-CB 3.86Å; F185-I387 HydrophobicContact CD1-CG2 4Å; F185-I387 HydrophobicContact CE1-CB 4.05Å; F185-I387 HydrophobicContact CE1-CD1 3.88Å; F185-I387 HydrophobicContact CE1-CG2 4.04Å; F185-F421 HydrophobicContact CE1-CE2 4.36Å; F185-L471 HydrophobicContact CE1-CD2 4.48Å; F185-L471 HydrophobicContact CZ-CD1 4.05Å; F185-L471 HydrophobicContact CZ-CD2 4.45Å
186S97.1Very high92.2Very high6 Ų659.1 Ų59.14%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-132.2138.3-179.6-54.90000111.2I166 I387 A388 G389I166-S186 CarbonylContact O-C 3.43Å; I166-S186 WeakPolarHBondContact O-CA 3.29Å; I166-S186 VanDerWaalsContact O-CB 3.31Å; I166-S186 WeakPolarHBondContact O-CB 3.46Å; S186-I387 PolarHBondContact N-O 3Å; S186-A388 CarbonylContact O-C 3.58Å; S186-A388 VanDerWaalsContact O-CA 3.3Å; S186-A388 WeakPolarHBondContact O-CA 3.14Å; S186-G389 PolarHBondContact O-N 3.43Å; S186-G389 VanDerWaalsContact O-N 3.11Å
187L95Very high92Very high4 Ų455.4 Ų55.42%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-88.2162.6166.869.577.9000109.8T165 I166 L168 L171 I359 A364 F368T165-L187 CarbonylContact C-O 3.49Å; T165-L187 WeakPolarHBondContact CA-O 3.4Å; I166-L187 HydrophobicContact CB-CD1 4.08Å; I166-L187 HydrophobicContact CB-CG 4.28Å; I166-L187 HydrophobicContact CD1-CD1 4.2Å; I166-L187 HydrophobicContact CG1-CD1 4.36Å; I166-L187 PolarHBondContact N-O 2.92Å; I166-L187 PolarHBondContact O-N 2.84Å; L168-L187 HydrophobicContact CD2-CB 4.16Å; L168-L187 HydrophobicContact CD2-CD2 3.75Å; L168-L187 HydrophobicContact CD2-CG 4.02Å; L171-L187 HydrophobicContact CD1-CD2 3.77Å; L187-I359 HydrophobicContact CD1-CD1 4.36Å; L187-A364 HydrophobicContact CB-CB 4.47Å; L187-A364 HydrophobicContact CD2-CB 3.97Å; L187-F368 HydrophobicContact CD2-CE1 3.68Å; L187-F368 HydrophobicContact CD2-CZ 4Å
188T96Very high91.6Very high3 Ų352.8 Ų52.82%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-123.7132.9174.945.80000110.2E164 T165 A388 K408 A412 F420E164-T188 WeakPolarHBondContact O-CA 2.94Å; T165-T188 HydrophobicContact CG2-CG2 4.17Å; T188-A388 HydrophobicContact CG2-CB 4.4Å; T188-K408 WeakPolarHBondContact CG2-O 3.3Å; T188-K408 PolarHBondContact O-NZ 3.48Å; T188-K408 WeakPolarHBondContact OG1-CB 3.41Å; T188-K408 WeakPolarHBondContact OG1-CG 3.49Å; T188-A412 HydrophobicContact CG2-CB 3.93Å; T188-F420 HydrophobicContact CG2-CE2 4.07Å
189S92.6Very high91.5Very high24 Ų2446.3 Ų46.317%0.16823%0.23CC..EExtended strand (participates in β ladder)trans-102.5165.4177.666.80000111.9G163 E164G163-S189 WeakPolarHBondContact CA-O 3.16Å; G163-S189 PolarHBondContact N-O 3.41Å; E164-S189 PolarHBondContact N-OG 2.88Å; E164-S189 PolarHBondContact O-N 3.35Å; E164-S189 PolarHBondContact O-OG 2.81Å
190V93.1Very high91.3Very high36 Ų3646.4 Ų46.422%0.21823%0.232CC..EExtended strand (participates in β ladder)trans-112.2125.9169.1174.10000106.2E160 E161 I192 K407 K408E160-V190 HydrophobicContact CB-CG1 3.96Å; E160-V190 HydrophobicContact CG-CG1 4.24Å; E161-V190 WeakPolarHBondContact O-CG1 3.46Å; V190-I192 HydrophobicContact CG1-CG1 4.49Å; V190-K407 HydrophobicContact CG1-CD 3.94Å; V190-K407 HydrophobicContact CG2-CB 4.25Å; V190-K408 HydrophobicContact CG2-CD 4.49Å; V190-K408 HydrophobicContact CG2-CG 4.04Å
191G92.1Very high91.1Very high18 Ų1843.2 Ų43.219%0.18622%0.22CC..EExtended strand (participates in β ladder)trans-74.4135.817300000109.7E160 E161E160-G191 CarbonylContact C-O 3.53Å; E160-G191 WeakPolarHBondContact CA-O 3.41Å; E161-G191 PolarHBondContact N-O 2.92Å; E161-G191 PolarHBondContact O-N 3.46Å
192I90.5Very high90.8Very high73 Ų7343.8 Ų43.837%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-126.4124.5176.6-61.3176.3000108Y158 E160 V190 L217Y158-I192 HydrophobicContact CD1-CG2 3.65Å; Y158-I192 HydrophobicContact CG-CG2 4.19Å; E160-I192 HydrophobicContact CG-CG1 4.45Å; V190-I192 HydrophobicContact CG1-CG1 4.49Å; I192-L217 HydrophobicContact CD1-CD1 4.17Å; I192-L217 HydrophobicContact CD1-CD2 4.49Å; I192-L217 HydrophobicContact CG2-CD2 3.81Å
193R89Confident90.6Very high59 Ų5935.5 Ų35.522%0.22318%0.183CC..EExtended strand (participates in β ladder)trans-133.3148.4175.967.2178.1-172.6-93.98.8111.7Y158 I159 E161 A195 E206Y158-R193 CarbonylContact C-O 3.59Å; Y158-R193 VanDerWaalsContact CA-O 3.23Å; Y158-R193 WeakPolarHBondContact CA-O 3.34Å; I159-R193 HydrophobicContact CB-CG 3.97Å; I159-R193 PolarHBondContact N-O 3.37Å; I159-R193 PolarHBondContact O-N 2.83Å; E161-R193 IonicContact OE1-CZ 2.62Å; E161-R193 IonicContact OE1-NH1 3.34Å; E161-R193 PolarHBondContact OE1-NH1 3.24Å; E161-R193 IonicContact OE2-CZ 2.72Å; E161-R193 IonicContact OE2-NH1 3.1Å; E161-R193 PolarHBondContact OE2-NH1 2.84Å; R193-A195 PolarHBondContact O-N 3.46Å; R193-E206 IonicContact NH2-OE2 2.9Å
194R88.5Confident90.3Very high125 Ų12542.7 Ų42.747%0.47221%0.209SC..EExtended strand (participates in β ladder)trans-65.8131.1172.1-132.1167.5-160.8173.814.4109.8P154 Y158 D223P154-R194 HydrophobicContact CB-CB 4.25Å; P154-R194 HydrophobicContact CB-CG 3.93Å; Y158-R194 HydrophobicContact CD1-CG 4.36Å; Y158-R194 HydrophobicContact CE1-CB 4.29Å; Y158-R194 HydrophobicContact CE1-CG 3.88Å; Y158-R194 PolarHBondContact OH-NE 3.37Å; Y158-R194 VanDerWaalsContact OH-NE 3.17Å; Y158-R194 PolarHBondContact OH-NH2 2.89Å; R194-D223 IonicContact CZ-OD2 3.9Å; R194-D223 IonicContact NE-OD2 3.8Å; R194-D223 IonicContact NH1-OD2 2.79Å; R194-D223 IonicContact NH2-OD1 3.43Å; R194-D223 PolarHBondContact NH2-OD1 2.89Å; R194-D223 IonicContact NH2-OD2 3.31Å; R194-D223 PolarHBondContact NH2-OD2 3.12Å
195A89.8Confident90Very high0 Ų049.4 Ų49.40%024%0.243CC..EExtended strand (participates in β ladder)trans-78.2146.4178.400000110.1P154 I155 Y157 I159 R193 T199 A200P154-A195 CarbonylContact C-O 3.58Å; P154-A195 VanDerWaalsContact CA-O 3.25Å; P154-A195 WeakPolarHBondContact CA-O 3.48Å; I155-A195 HydrophobicContact CD1-CB 4.11Å; I155-A195 HydrophobicContact CG1-CB 3.85Å; I155-A195 VanDerWaalsContact CG1-O 3.29Å; I155-A195 WeakPolarHBondContact CG1-O 3.44Å; I155-A195 PolarHBondContact N-O 3.31Å; Y157-A195 VanDerWaalsContact O-CB 3.3Å; Y157-A195 WeakPolarHBondContact O-CB 3.3Å; Y157-A195 PolarHBondContact O-N 2.96Å; I159-A195 HydrophobicContact CD1-CB 3.95Å; I159-A195 HydrophobicContact CG1-CB 3.93Å; R193-A195 PolarHBondContact O-N 3.46Å; A195-T199 WeakPolarHBondContact CA-OG1 3.24Å; A195-A200 HydrophobicContact CB-CB 4.24Å
196T88.3Confident89.6Confident14 Ų1451.7 Ų51.79%0.08625%0.254CS..EExtended strand (participates in β ladder)trans-109.8168156.8680000106.9C150 V151 V153 F198 T199 A200C150-T196 WeakPolarHBondContact O-CB 3.41Å; C150-T196 PolarHBondContact O-OG1 2.83Å; V151-T196 WeakPolarHBondContact O-CG2 3.25Å; V151-T196 PolarHBondContact O-OG1 3.26Å; V153-T196 WeakPolarHBondContact O-CG2 3.38Å; T196-F198 PolarHBondContact O-N 2.9Å; T196-T199 PolarHBondContact N-OG1 3.28Å; T196-T199 PolarHBondContact O-N 3.18Å; T196-T199 VanDerWaalsContact O-N 3.16Å; T196-T199 PolarHBondContact O-OG1 3.36Å; T196-T199 PolarHBondContact OG1-N 2.7Å; T196-T199 PolarHBondContact OG1-OG1 2.88Å; T196-A200 VanDerWaalsContact O-CB 3.27Å; T196-A200 WeakPolarHBondContact O-CB 3.32Å; T196-A200 PolarHBondContact O-N 3.47Å
197V85.7Confident89.2Confident45 Ų4555.6 Ų55.627%0.27328%0.279SS..Hα-helixtrans-53.7-43.5177.1178.50000110.5C150 I155 I201C150-V197 HydrophobicContact CB-CB 4.11Å; C150-V197 PolarHBondContact O-N 3.09Å; I155-V197 HydrophobicContact CG2-CG2 3.91Å; V197-I201 HydrophobicContact CG1-CD1 4.06Å; V197-I201 WeakPolarHBondContact O-CG1 3.29Å; V197-I201 PolarHBondContact O-N 3.26Å; V197-I201 VanDerWaalsContact O-N 3.11Å
198F85.4Confident89.1Confident96 Ų9656.7 Ų56.742%0.42128%0.284SS..Hα-helixtrans-63.9-47.4177.7178.8-109.5000113K28 C150 V151 T196 A200 I201 K202K28-F198 HydrophobicContact CD-CE1 4.38Å; C150-F198 WeakPolarHBondContact O-CB 3.32Å; C150-F198 PolarHBondContact O-N 2.98Å; V151-F198 HydrophobicContact CG2-CB 4.3Å; V151-F198 HydrophobicContact CG2-CG 4.46Å; T196-F198 PolarHBondContact O-N 2.9Å; F198-A200 VanDerWaalsContact C-N 3.34Å; F198-I201 PolarHBondContact O-N 3.09Å; F198-K202 PolarHBondContact O-N 3.07Å
199T88Confident89Confident16 Ų1658.4 Ų58.410%0.09829%0.292CS..Hα-helixtrans-71.5-31.4-17860.20000112.5I159 A195 T196 K202 S203I159-T199 VanDerWaalsContact CD1-C 3.49Å; I159-T199 WeakPolarHBondContact CD1-O 3.24Å; I159-T199 WeakPolarHBondContact CD1-OG1 3.42Å; A195-T199 WeakPolarHBondContact CA-OG1 3.24Å; T196-T199 PolarHBondContact N-OG1 3.28Å; T196-T199 PolarHBondContact O-N 3.18Å; T196-T199 VanDerWaalsContact O-N 3.16Å; T196-T199 PolarHBondContact O-OG1 3.36Å; T196-T199 PolarHBondContact OG1-N 2.7Å; T196-T199 PolarHBondContact OG1-OG1 2.88Å; T199-K202 PolarHBondContact O-N 2.99Å; T199-S203 WeakPolarHBondContact O-CB 3.45Å; T199-S203 PolarHBondContact O-N 3.05Å; T199-S203 PolarHBondContact O-OG 3.2Å
200A88.5Confident88.9Confident12 Ų1262 Ų6210%0.09931%0.305CS..Hα-helixtrans-64.8-39.117300000112I155 A195 T196 F198 S203 I211I155-A200 HydrophobicContact CD1-CB 4.06Å; A195-A200 HydrophobicContact CB-CB 4.24Å; T196-A200 VanDerWaalsContact O-CB 3.27Å; T196-A200 WeakPolarHBondContact O-CB 3.32Å; T196-A200 PolarHBondContact O-N 3.47Å; F198-A200 VanDerWaalsContact C-N 3.34Å; A200-S203 PolarHBondContact O-OG 2.98Å; A200-I211 HydrophobicContact CB-CD1 4.12Å; A200-I211 WeakPolarHBondContact O-CD1 3.34Å
201I87.2Confident88.9Confident113 Ų11362.8 Ų62.858%0.57931%0.308SS*.Hα-helixtrans-68.3-45174.7-67.2166000110V197 F198 S203 K204V197-I201 HydrophobicContact CG1-CD1 4.06Å; V197-I201 WeakPolarHBondContact O-CG1 3.29Å; V197-I201 PolarHBondContact O-N 3.26Å; V197-I201 VanDerWaalsContact O-N 3.11Å; F198-I201 PolarHBondContact O-N 3.09Å; I201-S203 VanDerWaalsContact C-N 3.33Å; I201-S203 PolarHBondContact O-N 3.34Å; I201-K204 PolarHBondContact O-N 3.43Å
202K85.8Confident88.8Confident78 Ų7862.9 Ų62.934%0.33930%0.304SS..Hα-helixtrans-59.6-42.1179.1-164.8-164.9-174.2-139.80112F198 T199 K204 I205 E206F198-K202 PolarHBondContact O-N 3.07Å; T199-K202 PolarHBondContact O-N 2.99Å; K202-K204 PolarHBondContact O-N 3.17Å; K202-K204 VanDerWaalsContact O-N 3.15Å; K202-I205 WeakPolarHBondContact O-CG1 3.48Å; K202-I205 PolarHBondContact O-N 3.2Å; K202-I205 VanDerWaalsContact O-N 3.15Å; K202-E206 WeakPolarHBondContact CE-OE1 3.25Å; K202-E206 HydrophobicContact CG-CG 4.46Å; K202-E206 IonicContact NZ-OE1 2.88Å; K202-E206 PolarHBondContact NZ-OE1 2.92Å; K202-E206 IonicContact NZ-OE2 3.11Å; K202-E206 PolarHBondContact O-N 3.27Å
203S88Confident88.9Confident2 Ų261 Ų611%0.01430%0.297CS..Hα-helixtrans-63.8-21.3-177.958.70000113.4T199 A200 I201 I205 E206 H209 I211T199-S203 WeakPolarHBondContact O-CB 3.45Å; T199-S203 PolarHBondContact O-N 3.05Å; T199-S203 PolarHBondContact O-OG 3.2Å; A200-S203 PolarHBondContact O-OG 2.98Å; I201-S203 VanDerWaalsContact C-N 3.33Å; I201-S203 PolarHBondContact O-N 3.34Å; S203-I205 PolarHBondContact O-N 3Å; S203-E206 PolarHBondContact O-N 3.39Å; S203-H209 WeakPolarHBondContact O-CB 3.34Å; S203-I211 WeakPolarHBondContact OG-CD1 3.25Å; S203-I211 WeakPolarHBondContact OG-CG1 3.27Å
204K84.6Confident88.9Confident169 Ų16959.2 Ų59.274%0.73530%0.295SS*.THydrogen-bonded Turntrans-69.4-17.9177-67.1-172.4177.1-172.80114.3I201 K202 I211I201-K204 PolarHBondContact O-N 3.43Å; K202-K204 PolarHBondContact O-N 3.17Å; K202-K204 VanDerWaalsContact O-N 3.15Å; K204-I211 HydrophobicContact CG-CD1 3.99Å
205I89.1Confident88.7Confident145 Ų14558.8 Ų58.874%0.74430%0.302SS*.THydrogen-bonded Turntrans-110.6-4.8179.360.9165.1000112.7K202 S203K202-I205 WeakPolarHBondContact O-CG1 3.48Å; K202-I205 PolarHBondContact O-N 3.2Å; K202-I205 VanDerWaalsContact O-N 3.15Å; S203-I205 PolarHBondContact O-N 3Å
206E87.2Confident88.5Confident47 Ų4765.3 Ų65.322%0.2233%0.333CS..SBendtrans-91.1125.1177.9-69.3-180133.400109.3R193 K202 S203 H209R193-E206 IonicContact NH2-OE2 2.9Å; K202-E206 WeakPolarHBondContact CE-OE1 3.25Å; K202-E206 HydrophobicContact CG-CG 4.46Å; K202-E206 IonicContact NZ-OE1 2.88Å; K202-E206 PolarHBondContact NZ-OE1 2.92Å; K202-E206 IonicContact NZ-OE2 3.11Å; K202-E206 PolarHBondContact O-N 3.27Å; S203-E206 PolarHBondContact O-N 3.39Å; E206-H209 HydrophobicContact CB-CB 4.11Å; E206-H209 WeakPolarHBondContact CB-ND1 3.47Å; E206-H209 WeakPolarHBondContact O-CB 3.3Å; E206-H209 PolarHBondContact O-N 3.48Å; E206-H209 IonicContact OE2-CD2 3.48Å; E206-H209 IonicContact OE2-NE2 3.08Å
207P89.8Confident88.4Confident89 Ų8965.6 Ų65.658%0.57833%0.334SS*.THydrogen-bonded Turntrans-56.6144.8177.3-25.634.4000112H209P207-H209 PolarHBondContact O-N 2.93Å; P207-H209 VanDerWaalsContact O-N 3.08Å; P207-H209 PolarHBondContact O-ND1 3.38Å
208F93.1Very high88.3Confident26 Ų2664.3 Ų64.311%0.11433%0.326CS..THydrogen-bonded Turntrans57.419.8178.7-53.4-78.2000114.7P162 D406 K407 A410 A448 E451 L452P162-F208 HydrophobicContact CG-CB 3.73Å; F208-D406 HydrophobicContact CD1-CB 3.85Å; F208-D406 HydrophobicContact CE1-CB 4.07Å; F208-K407 HydrophobicContact CB-CG 4.37Å; F208-K407 WeakPolarHBondContact O-CD 3.01Å; F208-K407 WeakPolarHBondContact O-CE 3.43Å; F208-K407 WeakPolarHBondContact O-CG 2.95Å; F208-A410 HydrophobicContact CB-CB 4.41Å; F208-A410 HydrophobicContact CD1-CB 4.42Å; F208-A410 HydrophobicContact CD2-CB 3.85Å; F208-A410 HydrophobicContact CE2-CB 4.28Å; F208-A410 HydrophobicContact CG-CB 3.95Å; F208-A448 HydrophobicContact CE1-CB 3.84Å; F208-A448 HydrophobicContact CZ-CB 4.4Å; F208-E451 HydrophobicContact CZ-CB 4.36Å; F208-E451 HydrophobicContact CZ-CG 4.19Å; F208-L452 HydrophobicContact CD2-CD2 4.28Å; F208-L452 HydrophobicContact CE2-CD1 4.24Å; F208-L452 HydrophobicContact CE2-CD2 3.42Å; F208-L452 VanDerWaalsContact CE2-CD2 3.42Å; F208-L452 HydrophobicContact CE2-CG 3.72Å; F208-L452 HydrophobicContact CZ-CD1 4.04Å; F208-L452 HydrophobicContact CZ-CD2 3.97Å; F208-L452 HydrophobicContact CZ-CG 3.7Å
209H92.5Very high88.1Confident40 Ų4063.1 Ų63.119%0.18534%0.341CS..  trans-98.8135.8169.9-73.160.5000110.4I159 E160 E161 S203 E206 P207I159-H209 HydrophobicContact CG2-CB 4.39Å; E160-H209 WeakPolarHBondContact O-CA 3.37Å; E161-H209 IonicContact OE2-NE2 2.8Å; E161-H209 PolarHBondContact OE2-NE2 3.31Å; S203-H209 WeakPolarHBondContact O-CB 3.34Å; E206-H209 HydrophobicContact CB-CB 4.11Å; E206-H209 WeakPolarHBondContact CB-ND1 3.47Å; E206-H209 WeakPolarHBondContact O-CB 3.3Å; E206-H209 PolarHBondContact O-N 3.48Å; E206-H209 IonicContact OE2-CD2 3.48Å; E206-H209 IonicContact OE2-NE2 3.08Å; P207-H209 PolarHBondContact O-N 2.93Å; P207-H209 VanDerWaalsContact O-N 3.08Å; P207-H209 PolarHBondContact O-ND1 3.38Å
210E91.7Very high87.7Confident98 Ų9864.7 Ų64.746%0.45836%0.36SS..EExtended strand (participates in β ladder)trans-133.7136.8-178.8-173.9171.3-168.500110.2I159 E160 K407I159-E210 CarbonylContact C-O 3.49Å; I159-E210 VanDerWaalsContact CA-O 3.3Å; I159-E210 WeakPolarHBondContact CA-O 3.44Å; E160-E210 HydrophobicContact CB-CB 4.49Å; E160-E210 PolarHBondContact N-O 3.16Å; E160-E210 PolarHBondContact O-N 2.95Å; E210-K407 IonicContact OE2-NZ 2.64Å; E210-K407 PolarHBondContact OE2-NZ 2.91Å
211I92.3Very high87.4Confident54 Ų5465.2 Ų65.228%0.27737%0.365SS..EExtended strand (participates in β ladder)trans-97.2122.4176.6-55.3168.3000107.5Y157 Y158 I159 A200 S203 K204Y157-I211 HydrophobicContact CD1-CG2 3.77Å; Y157-I211 HydrophobicContact CG-CG2 4.18Å; Y158-I211 WeakPolarHBondContact O-CA 3.41Å; I159-I211 HydrophobicContact CG1-CG1 4.43Å; A200-I211 HydrophobicContact CB-CD1 4.12Å; A200-I211 WeakPolarHBondContact O-CD1 3.34Å; S203-I211 WeakPolarHBondContact OG-CD1 3.25Å; S203-I211 WeakPolarHBondContact OG-CG1 3.27Å; K204-I211 HydrophobicContact CG-CD1 3.99Å
212I90.1Very high87.3Confident20 Ų2062.5 Ų62.510%0.10336%0.356CS..EExtended strand (participates in β ladder)trans-120.6142.5179-170.8166.3000109.3Y157 Y158 E160 E216 L217Y157-I212 CarbonylContact C-O 3.58Å; Y157-I212 WeakPolarHBondContact CA-O 3.49Å; Y158-I212 PolarHBondContact N-O 2.95Å; Y158-I212 PolarHBondContact O-N 3.34Å; E160-I212 HydrophobicContact CG-CG2 4.21Å; I212-E216 HydrophobicContact CD1-CB 4.31Å; I212-E216 HydrophobicContact CD1-CG 3.92Å; I212-E216 HydrophobicContact CG1-CB 3.87Å; I212-E216 HydrophobicContact CG1-CG 3.84Å; I212-L217 HydrophobicContact CD1-CB 4.04Å; I212-L217 HydrophobicContact CD1-CD1 4.29Å; I212-L217 HydrophobicContact CG1-CB 4.21Å; I212-L217 HydrophobicContact CG2-CB 4.09Å; I212-L217 HydrophobicContact CG2-CD1 4.44Å; I212-L217 HydrophobicContact CG2-CD2 4.43Å
213S91.8Very high87.2Confident32 Ų3261.6 Ų61.622%0.22435%0.354CS..EExtended strand (participates in β ladder)trans-70.7151.4175.672.90000110.8D215 E216 L217S213-D215 PolarHBondContact O-N 2.84Å; S213-E216 PolarHBondContact O-N 3.34Å; S213-E216 WeakPolarHBondContact OG-CB 3.26Å; S213-E216 PolarHBondContact OG-N 3.04Å; S213-E216 VanDerWaalsContact OG-N 3.14Å; S213-L217 PolarHBondContact O-N 2.9Å
214A89.5Confident87.1Confident22 Ų2267.5 Ų67.518%0.18239%0.386CS..Hα-helixtrans-56-40.4176.200000112.1P156 Y158 T218P156-A214 WeakPolarHBondContact O-CB 3.42Å; P156-A214 PolarHBondContact O-N 3.49Å; Y158-A214 HydrophobicContact CD2-CB 4.12Å; Y158-A214 HydrophobicContact CE2-CB 3.67Å; A214-T218 VanDerWaalsContact O-CB 3.32Å; A214-T218 WeakPolarHBondContact O-CB 3.44Å; A214-T218 VanDerWaalsContact O-CG2 3.29Å; A214-T218 WeakPolarHBondContact O-CG2 3.26Å; A214-T218 PolarHBondContact O-N 3.23Å; A214-T218 PolarHBondContact O-OG1 3.32Å
215D84.8Confident87.3Confident116 Ų11662.7 Ų62.762%0.6237%0.366SS*.Hα-helixtrans-67.1-42.2179.8-168.168.8000112.1S213 G219 G220S213-D215 PolarHBondContact O-N 2.84Å; D215-G219 VanDerWaalsContact O-CA 3.24Å; D215-G219 WeakPolarHBondContact O-CA 3.33Å; D215-G219 PolarHBondContact O-N 3.01Å; D215-G220 PolarHBondContact O-N 3.22Å; D215-G220 WeakPolarHBondContact OD1-CA 3.43Å
216E85Confident87.2Confident137 Ų13757.4 Ų57.464%0.6434%0.337SS*.Hα-helixtrans-66.4-40.2177.3-173.6-178.7178.900112.3I212 S213I212-E216 HydrophobicContact CD1-CB 4.31Å; I212-E216 HydrophobicContact CD1-CG 3.92Å; I212-E216 HydrophobicContact CG1-CB 3.87Å; I212-E216 HydrophobicContact CG1-CG 3.84Å; S213-E216 PolarHBondContact O-N 3.34Å; S213-E216 WeakPolarHBondContact OG-CB 3.26Å; S213-E216 PolarHBondContact OG-N 3.04Å; S213-E216 VanDerWaalsContact OG-N 3.14Å
217L85.5Confident87.2Confident21 Ų2160 Ų6011%0.1135%0.35CS..Hα-helixtrans-69.3-45.2177.7179.665.7000112.2Y158 I192 I212 S213 Y226Y158-L217 HydrophobicContact CD1-CD2 4.05Å; Y158-L217 HydrophobicContact CD2-CD2 3.79Å; Y158-L217 HydrophobicContact CE2-CD2 4.41Å; Y158-L217 HydrophobicContact CG-CD2 3.61Å; I192-L217 HydrophobicContact CD1-CD1 4.17Å; I192-L217 HydrophobicContact CD1-CD2 4.49Å; I192-L217 HydrophobicContact CG2-CD2 3.81Å; I212-L217 HydrophobicContact CD1-CB 4.04Å; I212-L217 HydrophobicContact CD1-CD1 4.29Å; I212-L217 HydrophobicContact CG1-CB 4.21Å; I212-L217 HydrophobicContact CG2-CB 4.09Å; I212-L217 HydrophobicContact CG2-CD1 4.44Å; I212-L217 HydrophobicContact CG2-CD2 4.43Å; S213-L217 PolarHBondContact O-N 2.9Å; L217-Y226 WeakPolarHBondContact CD1-OH 3.38Å; L217-Y226 HydrophobicContact CG-CE2 4.38Å; L217-Y226 WeakPolarHBondContact O-CE2 3.09Å
218T84.7Confident87.2Confident17 Ų1759.6 Ų59.610%0.10434%0.341CS..Hα-helixtrans-94.2-11.1-170.5640000113.9A214 G220 A221 Y226A214-T218 VanDerWaalsContact O-CB 3.32Å; A214-T218 WeakPolarHBondContact O-CB 3.44Å; A214-T218 VanDerWaalsContact O-CG2 3.29Å; A214-T218 WeakPolarHBondContact O-CG2 3.26Å; A214-T218 PolarHBondContact O-N 3.23Å; A214-T218 PolarHBondContact O-OG1 3.32Å; T218-G220 PolarHBondContact O-N 3.11Å; T218-G220 PolarHBondContact OG1-N 3.38Å; T218-A221 VanDerWaalsContact CB-O 3.29Å; T218-A221 WeakPolarHBondContact CB-O 3.36Å; T218-A221 WeakPolarHBondContact O-CB 3.45Å; T218-A221 PolarHBondContact O-N 2.93Å; T218-A221 PolarHBondContact OG1-O 2.91Å; T218-A221 VanDerWaalsContact OG1-O 3.1Å; T218-Y226 HydrophobicContact CG2-CD2 4.1Å; T218-Y226 HydrophobicContact CG2-CG 3.95Å
219G79.8Confident87Confident71 Ų7159.8 Ų59.873%0.73234%0.343SS*.THydrogen-bonded Turntrans63.324.6-169.500000113.2D215D215-G219 VanDerWaalsContact O-CA 3.24Å; D215-G219 WeakPolarHBondContact O-CA 3.33Å; D215-G219 PolarHBondContact O-N 3.01Å
220G80.5Confident86.9Confident49 Ų4959.7 Ų59.751%0.50534%0.343SS..THydrogen-bonded Turntrans855-176.500000115.2D215 T218D215-G220 PolarHBondContact O-N 3.22Å; D215-G220 WeakPolarHBondContact OD1-CA 3.43Å; T218-G220 PolarHBondContact O-N 3.11Å; T218-G220 PolarHBondContact OG1-N 3.38Å
221A82.4Confident86.9Confident24 Ų2462.5 Ų62.520%0.19835%0.353CS..  trans-73.5155.3170.900000111.4T218 E225 I229T218-A221 VanDerWaalsContact CB-O 3.29Å; T218-A221 WeakPolarHBondContact CB-O 3.36Å; T218-A221 WeakPolarHBondContact O-CB 3.45Å; T218-A221 PolarHBondContact O-N 2.93Å; T218-A221 PolarHBondContact OG1-O 2.91Å; T218-A221 VanDerWaalsContact OG1-O 3.1Å; A221-E225 HydrophobicContact CB-CB 3.99Å; A221-I229 HydrophobicContact CB-CD1 4.48Å
222S85Confident87Confident56 Ų5660.1 Ų60.139%0.39234%0.341SS..  trans-68.4161167.6610000111.6D224 E225 Y226S222-D224 VanDerWaalsContact C-N 3.26Å; S222-D224 PolarHBondContact O-N 3.13Å; S222-E225 WeakPolarHBondContact CB-OE2 3.36Å; S222-E225 PolarHBondContact N-OE2 3.43Å; S222-E225 PolarHBondContact O-N 2.9Å; S222-E225 WeakPolarHBondContact OG-CB 3.33Å; S222-E225 VanDerWaalsContact OG-CD 3.24Å; S222-E225 WeakPolarHBondContact OG-CG 2.93Å; S222-E225 PolarHBondContact OG-N 3.3Å; S222-E225 PolarHBondContact OG-OE2 2.83Å; S222-Y226 WeakPolarHBondContact O-CB 3.11Å; S222-Y226 PolarHBondContact O-N 2.81Å
223D83.3Confident87Confident58 Ų5861.3 Ų61.331%0.3135%0.347SS..Hα-helixtrans-52.7-43.3177.9-64.129.3000112Y158 R194 Y226 M227Y158-D223 PolarHBondContact OH-OD1 3.26Å; Y158-D223 PolarHBondContact OH-OD2 3.41Å; R194-D223 IonicContact CZ-OD2 3.9Å; R194-D223 IonicContact NE-OD2 3.8Å; R194-D223 IonicContact NH1-OD2 2.79Å; R194-D223 IonicContact NH2-OD1 3.43Å; R194-D223 PolarHBondContact NH2-OD1 2.89Å; R194-D223 IonicContact NH2-OD2 3.31Å; R194-D223 PolarHBondContact NH2-OD2 3.12Å; D223-Y226 PolarHBondContact O-N 3.16Å; D223-M227 VanDerWaalsContact O-CG 3.27Å; D223-M227 WeakPolarHBondContact O-CG 3.41Å; D223-M227 PolarHBondContact O-N 3.38Å
224D86Confident87.2Confident127 Ų12760 Ų6068%0.67934%0.338SS*.Hα-helixtrans-68.2-43.9179.9-68.2-24000112.1S222 Y226 M227 Q228S222-D224 VanDerWaalsContact C-N 3.26Å; S222-D224 PolarHBondContact O-N 3.13Å; D224-Y226 VanDerWaalsContact C-N 3.35Å; D224-M227 PolarHBondContact O-N 3.32Å; D224-Q228 WeakPolarHBondContact O-CG 3.47Å; D224-Q228 PolarHBondContact O-N 2.8Å
225E88.4Confident87.4Confident68 Ų6862 Ų6232%0.31834%0.343SS..Hα-helixtrans-63.1-42.8175.4-71.8169.9139.600111.1A221 S222 M227 Q228 I229 V277A221-E225 HydrophobicContact CB-CB 3.99Å; S222-E225 WeakPolarHBondContact CB-OE2 3.36Å; S222-E225 PolarHBondContact N-OE2 3.43Å; S222-E225 PolarHBondContact O-N 2.9Å; S222-E225 WeakPolarHBondContact OG-CB 3.33Å; S222-E225 VanDerWaalsContact OG-CD 3.24Å; S222-E225 WeakPolarHBondContact OG-CG 2.93Å; S222-E225 PolarHBondContact OG-N 3.3Å; S222-E225 PolarHBondContact OG-OE2 2.83Å; E225-M227 PolarHBondContact O-N 3.45Å; E225-Q228 PolarHBondContact O-N 3.36Å; E225-I229 WeakPolarHBondContact O-CD1 3.48Å; E225-I229 VanDerWaalsContact O-CG1 3.25Å; E225-I229 WeakPolarHBondContact O-CG1 3.37Å; E225-I229 PolarHBondContact O-N 2.86Å; E225-V277 HydrophobicContact CB-CB 4.27Å; E225-V277 HydrophobicContact CB-CG1 4.29Å; E225-V277 HydrophobicContact CB-CG2 4.1Å; E225-V277 HydrophobicContact CG-CB 3.97Å; E225-V277 HydrophobicContact CG-CG2 3.78Å
226Y87.8Confident87.7Confident33 Ų3357.8 Ų57.813%0.12932%0.322CS..Hα-helixtrans-58.6-47.7175175.2-102000111L217 T218 S222 D223 D224 Q228 I229 Q230L217-Y226 WeakPolarHBondContact CD1-OH 3.38Å; L217-Y226 HydrophobicContact CG-CE2 4.38Å; L217-Y226 WeakPolarHBondContact O-CE2 3.09Å; T218-Y226 HydrophobicContact CG2-CD2 4.1Å; T218-Y226 HydrophobicContact CG2-CG 3.95Å; S222-Y226 WeakPolarHBondContact O-CB 3.11Å; S222-Y226 PolarHBondContact O-N 2.81Å; D223-Y226 PolarHBondContact O-N 3.16Å; D224-Y226 VanDerWaalsContact C-N 3.35Å; Y226-Q228 VanDerWaalsContact C-N 3.33Å; Y226-Q228 PolarHBondContact O-N 2.74Å; Y226-I229 PolarHBondContact O-N 2.81Å; Y226-Q230 HydrophobicContact CD1-CG 4.16Å; Y226-Q230 HydrophobicContact CD2-CG 4.28Å; Y226-Q230 HydrophobicContact CE1-CG 3.75Å; Y226-Q230 HydrophobicContact CE2-CG 3.91Å; Y226-Q230 HydrophobicContact CG-CG 4.41Å; Y226-Q230 WeakPolarHBondContact O-CB 3.25Å; Y226-Q230 VanDerWaalsContact O-CG 3.25Å; Y226-Q230 WeakPolarHBondContact O-CG 3.37Å; Y226-Q230 PolarHBondContact O-N 2.79Å; Y226-Q230 PolarHBondContact OH-NE2 3Å
227M88.1Confident88.1Confident101 Ų10151.4 Ų51.450%0.49829%0.293SS..Hα-helixtrans-62.6-38.2177.6-71.8-57.3-63.100112.4D223 D224 E225 Q230 K231D223-M227 VanDerWaalsContact O-CG 3.27Å; D223-M227 WeakPolarHBondContact O-CG 3.41Å; D223-M227 PolarHBondContact O-N 3.38Å; D224-M227 PolarHBondContact O-N 3.32Å; E225-M227 PolarHBondContact O-N 3.45Å; M227-Q230 PolarHBondContact O-N 3.41Å; M227-K231 WeakPolarHBondContact O-CB 3.24Å; M227-K231 PolarHBondContact O-N 2.98Å
228Q89.4Confident88.6Confident81 Ų8152 Ų5238%0.37930%0.295SS..Hα-helixtrans-63.4-45174-73.9176.9-7.800112.2D224 E225 Y226 Q230 K231 F232 V277D224-Q228 WeakPolarHBondContact O-CG 3.47Å; D224-Q228 PolarHBondContact O-N 2.8Å; E225-Q228 PolarHBondContact O-N 3.36Å; Y226-Q228 VanDerWaalsContact C-N 3.33Å; Y226-Q228 PolarHBondContact O-N 2.74Å; Q228-Q230 VanDerWaalsContact C-N 3.32Å; Q228-Q230 PolarHBondContact O-N 3.41Å; Q228-K231 PolarHBondContact O-N 2.56Å; Q228-F232 PolarHBondContact O-N 3.4Å; Q228-V277 HydrophobicContact CB-CG1 4.17Å; Q228-V277 PolarHBondContact OE1-O 3.47Å
229I89.1Confident89Confident30 Ų3052.1 Ų52.115%0.15430%0.295CS..Hα-helixtrans-60.2-44.4175.4-67.9161.7000110.3A221 E225 Y226 K231 F232 N233 L263 V277A221-I229 HydrophobicContact CB-CD1 4.48Å; E225-I229 WeakPolarHBondContact O-CD1 3.48Å; E225-I229 VanDerWaalsContact O-CG1 3.25Å; E225-I229 WeakPolarHBondContact O-CG1 3.37Å; E225-I229 PolarHBondContact O-N 2.86Å; Y226-I229 PolarHBondContact O-N 2.81Å; I229-K231 VanDerWaalsContact C-N 3.34Å; I229-K231 PolarHBondContact O-N 3.06Å; I229-F232 PolarHBondContact O-N 3.29Å; I229-N233 WeakPolarHBondContact O-CB 3.5Å; I229-N233 VanDerWaalsContact O-CG 3.24Å; I229-N233 PolarHBondContact O-N 3.01Å; I229-N233 PolarHBondContact O-ND2 2.84Å; I229-L263 VanDerWaalsContact CD1-O 3.25Å; I229-L263 WeakPolarHBondContact CD1-O 3.42Å; I229-L263 HydrophobicContact CG1-CD2 4.47Å; I229-L263 HydrophobicContact CG2-CD2 4.37Å; I229-V277 HydrophobicContact CD1-CG1 4.26Å; I229-V277 HydrophobicContact CG1-CG1 3.8Å
230Q90.6Very high89.7Confident39 Ų3951.2 Ų51.218%0.18227%0.271CS..Hα-helixtrans-65.3-37.3179.2-68.8-66.478.100112.5Y226 M227 Q228 N233 M234 G361Y226-Q230 HydrophobicContact CD1-CG 4.16Å; Y226-Q230 HydrophobicContact CD2-CG 4.28Å; Y226-Q230 HydrophobicContact CE1-CG 3.75Å; Y226-Q230 HydrophobicContact CE2-CG 3.91Å; Y226-Q230 HydrophobicContact CG-CG 4.41Å; Y226-Q230 WeakPolarHBondContact O-CB 3.25Å; Y226-Q230 VanDerWaalsContact O-CG 3.25Å; Y226-Q230 WeakPolarHBondContact O-CG 3.37Å; Y226-Q230 PolarHBondContact O-N 2.79Å; Y226-Q230 PolarHBondContact OH-NE2 3Å; M227-Q230 PolarHBondContact O-N 3.41Å; Q228-Q230 VanDerWaalsContact C-N 3.32Å; Q228-Q230 PolarHBondContact O-N 3.41Å; Q230-N233 PolarHBondContact O-N 3Å; Q230-N233 PolarHBondContact OE1-ND2 3.34Å; Q230-N233 VanDerWaalsContact OE1-ND2 3.13Å; Q230-M234 PolarHBondContact O-N 3.43Å; Q230-G361 PolarHBondContact O-N 3.46Å
231K91.7Very high90.4Very high157 Ų15748.9 Ų48.968%0.68325%0.247SC*.Hα-helixtrans-64.6-43.4173.1-175.9176.6179.2176.90111.8M227 Q228 I229 M234 E235M227-K231 WeakPolarHBondContact O-CB 3.24Å; M227-K231 PolarHBondContact O-N 2.98Å; Q228-K231 PolarHBondContact O-N 2.56Å; I229-K231 VanDerWaalsContact C-N 3.34Å; I229-K231 PolarHBondContact O-N 3.06Å; K231-M234 WeakPolarHBondContact O-CB 3.37Å; K231-M234 PolarHBondContact O-N 2.78Å; K231-E235 PolarHBondContact O-N 3.27Å
232F92.6Very high91Very high4 Ų448.6 Ų48.62%0.01824%0.242CC..Hα-helixtrans-67.7-38176.6-178.6-95.1000113Q228 I229 M234 E235 T236 Y261 L263 T341 H343Q228-F232 PolarHBondContact O-N 3.4Å; I229-F232 PolarHBondContact O-N 3.29Å; F232-M234 PolarHBondContact O-N 3.13Å; F232-E235 PolarHBondContact O-N 3.46Å; F232-T236 VanDerWaalsContact CE1-OG1 3.3Å; F232-T236 WeakPolarHBondContact CE1-OG1 3.36Å; F232-T236 WeakPolarHBondContact O-CB 2.86Å; F232-T236 PolarHBondContact O-N 3.26Å; F232-T236 PolarHBondContact O-OG1 3Å; F232-Y261 HydrophobicContact CB-CD1 4.36Å; F232-Y261 HydrophobicContact CB-CE1 3.59Å; F232-Y261 HydrophobicContact CB-CE2 4.23Å; F232-Y261 VanDerWaalsContact CB-CZ 3.48Å; F232-Y261 WeakPolarHBondContact CB-OH 3.32Å; F232-Y261 AromaticContact CD1-CD1 3.61Å; F232-Y261 HydrophobicContact CD1-CD1 3.61Å; F232-Y261 AromaticContact CD1-CE1 3.71Å; F232-Y261 HydrophobicContact CD1-CE1 3.71Å; F232-Y261 HydrophobicContact CD1-CG 4.1Å; F232-Y261 AromaticContact CD2-CD1 3.78Å; F232-Y261 HydrophobicContact CD2-CD1 3.78Å; F232-Y261 AromaticContact CD2-CD2 3.36Å; F232-Y261 HydrophobicContact CD2-CD2 3.36Å; F232-Y261 AromaticContact CD2-CE1 3.69Å; F232-Y261 HydrophobicContact CD2-CE1 3.69Å; F232-Y261 AromaticContact CD2-CE2 3.25Å; F232-Y261 HydrophobicContact CD2-CE2 3.25Å; F232-Y261 AromaticContact CD2-CG 3.61Å; F232-Y261 HydrophobicContact CD2-CG 3.61Å; F232-Y261 AromaticContact CD2-CZ 3.4Å; F232-Y261 AromaticContact CE1-CD1 3.81Å; F232-Y261 HydrophobicContact CE1-CD1 3.81Å; F232-Y261 HydrophobicContact CE1-CE1 4.36Å; F232-Y261 AromaticContact CE1-CG 3.95Å; F232-Y261 HydrophobicContact CE1-CG 3.95Å; F232-Y261 AromaticContact CE2-CD1 3.93Å; F232-Y261 HydrophobicContact CE2-CD1 3.93Å; F232-Y261 AromaticContact CE2-CD2 3.31Å; F232-Y261 HydrophobicContact CE2-CD2 3.31Å; F232-Y261 HydrophobicContact CE2-CE1 4.31Å; F232-Y261 AromaticContact CE2-CE2 3.75Å; F232-Y261 HydrophobicContact CE2-CE2 3.75Å; F232-Y261 AromaticContact CE2-CG 3.39Å; F232-Y261 HydrophobicContact CE2-CG 3.39Å; F232-Y261 AromaticContact CG-CD1 3.6Å; F232-Y261 HydrophobicContact CG-CD1 3.6Å; F232-Y261 HydrophobicContact CG-CD2 4.06Å; F232-Y261 AromaticContact CG-CE1 3.33Å; F232-Y261 HydrophobicContact CG-CE1 3.33Å; F232-Y261 AromaticContact CG-CE2 3.81Å; F232-Y261 HydrophobicContact CG-CE2 3.81Å; F232-Y261 AromaticContact CG-CG 3.95Å; F232-Y261 HydrophobicContact CG-CG 3.95Å; F232-Y261 AromaticContact CG-CZ 3.41Å; F232-Y261 VanDerWaalsContact CG-CZ 3.41Å; F232-Y261 AromaticContact CZ-CD1 3.94Å; F232-Y261 HydrophobicContact CZ-CD1 3.94Å; F232-Y261 HydrophobicContact CZ-CD2 4Å; F232-Y261 AromaticContact CZ-CG 3.57Å; F232-Y261 HydrophobicContact CZ-CG 3.57Å; F232-L263 HydrophobicContact CD1-CD2 4.12Å; F232-T341 HydrophobicContact CD1-CG2 4.27Å; F232-T341 HydrophobicContact CE1-CG2 3.34Å; F232-T341 HydrophobicContact CZ-CG2 3.89Å; F232-H343 HydrophobicContact CE2-CB 4.41Å; F232-H343 AromaticContact CE2-CD2 3.9Å; F232-H343 AromaticContact CE2-CG 3.95Å
233N92Very high91.5Very high45 Ų4546.6 Ų46.624%0.24123%0.226CC..Hα-helixtrans-59.4-38.4171.8-75.2-22.5000111.3I229 Q230 S237I229-N233 WeakPolarHBondContact O-CB 3.5Å; I229-N233 VanDerWaalsContact O-CG 3.24Å; I229-N233 PolarHBondContact O-N 3.01Å; I229-N233 PolarHBondContact O-ND2 2.84Å; Q230-N233 PolarHBondContact O-N 3Å; Q230-N233 PolarHBondContact OE1-ND2 3.34Å; Q230-N233 VanDerWaalsContact OE1-ND2 3.13Å; N233-S237 WeakPolarHBondContact O-CB 3.34Å; N233-S237 PolarHBondContact O-N 3.43Å
234M94.4Very high92Very high5 Ų544 Ų443%0.02521%0.212CC..Hα-helixtrans-66.6-47174.3-179.458.876.200111.5Q230 K231 F232 T236 S237 Q238 A356 I359 G361 A364 F368Q230-M234 PolarHBondContact O-N 3.43Å; K231-M234 WeakPolarHBondContact O-CB 3.37Å; K231-M234 PolarHBondContact O-N 2.78Å; F232-M234 PolarHBondContact O-N 3.13Å; M234-T236 VanDerWaalsContact C-N 3.33Å; M234-T236 PolarHBondContact O-N 3.22Å; M234-S237 CarbonylContact O-C 3.57Å; M234-S237 WeakPolarHBondContact O-CB 3.26Å; M234-S237 PolarHBondContact O-N 3.41Å; M234-S237 VanDerWaalsContact O-N 3.13Å; M234-Q238 VanDerWaalsContact O-CG 3.31Å; M234-Q238 WeakPolarHBondContact O-CG 3.24Å; M234-Q238 PolarHBondContact O-N 2.83Å; M234-Q238 HydrophobicContact SD-CG 4.49Å; M234-A356 HydrophobicContact CE-CB 4.46Å; M234-A356 HydrophobicContact CG-CB 3.84Å; M234-A356 HydrophobicContact SD-CB 4.16Å; M234-I359 HydrophobicContact CE-CB 4.15Å; M234-I359 HydrophobicContact CE-CG2 3.6Å; M234-I359 WeakPolarHBondContact CE-O 3.32Å; M234-G361 WeakPolarHBondContact CE-O 3.28Å; M234-A364 HydrophobicContact CE-CB 4.35Å; M234-A364 HydrophobicContact SD-CB 4.46Å; M234-F368 HydrophobicContact SD-CE2 3.6Å; M234-F368 HydrophobicContact SD-CZ 4.02Å
235E93.5Very high92.5Very high62 Ų6238 Ų3829%0.2918%0.18SC..Hα-helixtrans-56.5-46.4175.1-179.8177.5177.300111.7K231 F232 S237 Q238 N239 H343K231-E235 PolarHBondContact O-N 3.27Å; F232-E235 PolarHBondContact O-N 3.46Å; E235-S237 VanDerWaalsContact C-N 3.33Å; E235-S237 PolarHBondContact O-N 2.87Å; E235-Q238 WeakPolarHBondContact O-CB 3.47Å; E235-Q238 PolarHBondContact O-N 3.39Å; E235-Q238 VanDerWaalsContact O-N 3.16Å; E235-N239 PolarHBondContact O-N 2.95Å; E235-H343 IonicContact OE1-NE2 2.84Å; E235-H343 PolarHBondContact OE1-NE2 3.36Å
236T91.8Very high92.8Very high29 Ų2934.7 Ų34.718%0.17817%0.165CC..Hα-helixtrans-61.1-42.6176.1-60.50000111.4F232 M234 Q238 N239 F240F232-T236 VanDerWaalsContact CE1-OG1 3.3Å; F232-T236 WeakPolarHBondContact CE1-OG1 3.36Å; F232-T236 WeakPolarHBondContact O-CB 2.86Å; F232-T236 PolarHBondContact O-N 3.26Å; F232-T236 PolarHBondContact O-OG1 3Å; M234-T236 VanDerWaalsContact C-N 3.33Å; M234-T236 PolarHBondContact O-N 3.22Å; T236-Q238 VanDerWaalsContact C-N 3.32Å; T236-Q238 PolarHBondContact O-N 3.04Å; T236-N239 PolarHBondContact O-N 3.39Å; T236-F240 HydrophobicContact CG2-CD2 3.85Å; T236-F240 HydrophobicContact CG2-CE2 3.39Å; T236-F240 HydrophobicContact CG2-CZ 4.05Å; T236-F240 WeakPolarHBondContact O-CD2 3.42Å; T236-F240 PolarHBondContact O-N 3.49Å
237S94Very high93.1Very high3 Ų336.7 Ų36.72%0.02117%0.174CC..Hα-helixtrans-63.7-35.6175.6-178.50000112.8N233 M234 E235 A241 P362 G365N233-S237 WeakPolarHBondContact O-CB 3.34Å; N233-S237 PolarHBondContact O-N 3.43Å; M234-S237 CarbonylContact O-C 3.57Å; M234-S237 WeakPolarHBondContact O-CB 3.26Å; M234-S237 PolarHBondContact O-N 3.41Å; M234-S237 VanDerWaalsContact O-N 3.13Å; E235-S237 VanDerWaalsContact C-N 3.33Å; E235-S237 PolarHBondContact O-N 2.87Å; S237-A241 WeakPolarHBondContact O-CB 3.26Å; S237-A241 PolarHBondContact O-N 3.41Å; S237-P362 PolarHBondContact OG-O 3.12Å; S237-P362 VanDerWaalsContact OG-O 3.12Å; S237-G365 WeakPolarHBondContact OG-CA 3.3Å; S237-G365 PolarHBondContact OG-N 3.3Å; S237-G365 VanDerWaalsContact OG-N 3.14Å
238Q95.1Very high93.2Very high34 Ų3433 Ų3316%0.15916%0.156CC..Hα-helixtrans-66.1-44.8174.3-68.6168.16.100110.5M234 E235 T236 A241 I242 V354 F368M234-Q238 VanDerWaalsContact O-CG 3.31Å; M234-Q238 WeakPolarHBondContact O-CG 3.24Å; M234-Q238 PolarHBondContact O-N 2.83Å; M234-Q238 HydrophobicContact SD-CG 4.49Å; E235-Q238 WeakPolarHBondContact O-CB 3.47Å; E235-Q238 PolarHBondContact O-N 3.39Å; E235-Q238 VanDerWaalsContact O-N 3.16Å; T236-Q238 VanDerWaalsContact C-N 3.32Å; T236-Q238 PolarHBondContact O-N 3.04Å; Q238-A241 PolarHBondContact O-N 3.29Å; Q238-I242 WeakPolarHBondContact O-CB 3.41Å; Q238-I242 VanDerWaalsContact O-CG1 3.23Å; Q238-I242 WeakPolarHBondContact O-CG1 3.31Å; Q238-I242 PolarHBondContact O-N 2.72Å; Q238-V354 HydrophobicContact CG-CB 4.03Å; Q238-V354 HydrophobicContact CG-CG1 3.93Å; Q238-V354 HydrophobicContact CG-CG2 4.43Å; Q238-F368 HydrophobicContact CG-CD2 4.1Å; Q238-F368 HydrophobicContact CG-CE2 3.79Å
239N93.8Very high93.4Very high18 Ų1830 Ų3010%0.09615%0.145CC..Hα-helixtrans-59.2-54176.7-72.7-24.5000111E235 T236 A241 I242 E243 T344 I346E235-N239 PolarHBondContact O-N 2.95Å; T236-N239 PolarHBondContact O-N 3.39Å; N239-A241 PolarHBondContact O-N 2.62Å; N239-I242 PolarHBondContact O-N 3.27Å; N239-E243 WeakPolarHBondContact O-CB 3.23Å; N239-E243 PolarHBondContact O-N 2.91Å; N239-T344 PolarHBondContact ND2-O 2.97Å; N239-I346 HydrophobicContact CB-CD1 4.21Å; N239-I346 WeakPolarHBondContact O-CD1 3.49Å
240F93.8Very high93.6Very high53 Ų5335.8 Ų35.823%0.23218%0.176CC..Hα-helixtrans-59.6-36.7177.1-66.3-42.2000112.4T236 E243 Q244 I393T236-F240 HydrophobicContact CG2-CD2 3.85Å; T236-F240 HydrophobicContact CG2-CE2 3.39Å; T236-F240 HydrophobicContact CG2-CZ 4.05Å; T236-F240 WeakPolarHBondContact O-CD2 3.42Å; T236-F240 PolarHBondContact O-N 3.49Å; F240-E243 PolarHBondContact O-N 2.88Å; F240-Q244 VanDerWaalsContact O-CG 3.32Å; F240-Q244 WeakPolarHBondContact O-CG 3.27Å; F240-Q244 PolarHBondContact O-N 3.35Å; F240-I393 HydrophobicContact CB-CG2 3.96Å; F240-I393 VanDerWaalsContact CB-O 3.31Å; F240-I393 WeakPolarHBondContact CB-O 3.49Å; F240-I393 WeakPolarHBondContact CD2-O 3.45Å
241A95.5Very high93.9Very high0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-63.9-44.3177.300000113.2S237 Q238 N239 Q244 A245 G365 F368 T369 I393S237-A241 WeakPolarHBondContact O-CB 3.26Å; S237-A241 PolarHBondContact O-N 3.41Å; Q238-A241 PolarHBondContact O-N 3.29Å; N239-A241 PolarHBondContact O-N 2.62Å; A241-Q244 PolarHBondContact O-N 3.38Å; A241-A245 WeakPolarHBondContact O-CB 3.47Å; A241-A245 PolarHBondContact O-N 3.16Å; A241-G365 WeakPolarHBondContact CB-O 3.38Å; A241-F368 HydrophobicContact CB-CB 3.5Å; A241-F368 HydrophobicContact CB-CD2 4.47Å; A241-T369 WeakPolarHBondContact CA-OG1 3.18Å; A241-T369 PolarHBondContact O-OG1 3.23Å; A241-I393 HydrophobicContact CB-CG2 4.39Å
242I95.9Very high94.1Very high18 Ų1834 Ų349%0.09218%0.177CC..Hα-helixtrans-63.3-45.8175.1-67.4163.9000109.9Q238 N239 Q244 A245 L246 I346 V352 I372Q238-I242 WeakPolarHBondContact O-CB 3.41Å; Q238-I242 VanDerWaalsContact O-CG1 3.23Å; Q238-I242 WeakPolarHBondContact O-CG1 3.31Å; Q238-I242 PolarHBondContact O-N 2.72Å; N239-I242 PolarHBondContact O-N 3.27Å; I242-Q244 VanDerWaalsContact C-N 3.34Å; I242-Q244 PolarHBondContact O-N 3.45Å; I242-A245 PolarHBondContact O-N 3.41Å; I242-L246 HydrophobicContact CG2-CD1 3.57Å; I242-L246 HydrophobicContact CG2-CG 4.21Å; I242-L246 WeakPolarHBondContact O-CB 3.44Å; I242-L246 VanDerWaalsContact O-CG 3.24Å; I242-L246 WeakPolarHBondContact O-CG 3.39Å; I242-L246 PolarHBondContact O-N 3.07Å; I242-I346 HydrophobicContact CB-CD1 3.8Å; I242-I346 HydrophobicContact CG2-CB 4.4Å; I242-I346 HydrophobicContact CG2-CD1 3.8Å; I242-I346 HydrophobicContact CG2-CG2 3.92Å; I242-V352 HydrophobicContact CD1-CB 4.19Å; I242-V352 HydrophobicContact CD1-CG1 4.08Å; I242-V352 HydrophobicContact CG1-CB 4.11Å; I242-V352 HydrophobicContact CG1-CG1 3.81Å; I242-V352 HydrophobicContact CG2-CB 4.49Å; I242-V352 HydrophobicContact CG2-CG2 4.42Å; I242-I372 HydrophobicContact CG1-CD1 3.75Å
243E94.9Very high94.2Very high14 Ų1437.4 Ų37.47%0.06519%0.19CC..Hα-helixtrans-54.6-51.8177.5-178178.9-170.500110.6N239 F240 A245 L246 K247 Y253 I346N239-E243 WeakPolarHBondContact O-CB 3.23Å; N239-E243 PolarHBondContact O-N 2.91Å; F240-E243 PolarHBondContact O-N 2.88Å; E243-A245 PolarHBondContact O-N 2.9Å; E243-L246 PolarHBondContact O-N 2.89Å; E243-K247 HydrophobicContact CG-CD 4.31Å; E243-K247 WeakPolarHBondContact O-CG 3.47Å; E243-K247 PolarHBondContact O-N 2.7Å; E243-K247 WeakPolarHBondContact OE1-CE 3.32Å; E243-K247 IonicContact OE1-NZ 3.82Å; E243-K247 PolarHBondContact OE1-NZ 3.48Å; E243-Y253 HydrophobicContact CG-CE2 3.74Å; E243-Y253 PolarHBondContact OE1-OH 3.37Å; E243-I346 HydrophobicContact CB-CD1 3.75Å
244Q94.9Very high94.3Very high3 Ų340.9 Ų40.91%0.01421%0.205CC..Hα-helixtrans-65.7-39.7-179.3-66.1-49.9-36.600112.3F240 A241 I242 L246 K247 L248 T369 I393 N394 S395F240-Q244 VanDerWaalsContact O-CG 3.32Å; F240-Q244 WeakPolarHBondContact O-CG 3.27Å; F240-Q244 PolarHBondContact O-N 3.35Å; A241-Q244 PolarHBondContact O-N 3.38Å; I242-Q244 VanDerWaalsContact C-N 3.34Å; I242-Q244 PolarHBondContact O-N 3.45Å; Q244-L246 VanDerWaalsContact C-N 3.35Å; Q244-L246 PolarHBondContact O-N 3.48Å; Q244-K247 PolarHBondContact O-N 2.87Å; Q244-L248 WeakPolarHBondContact O-CB 3.49Å; Q244-L248 WeakPolarHBondContact O-CG 3.3Å; Q244-L248 PolarHBondContact O-N 2.79Å; Q244-T369 HydrophobicContact CB-CG2 3.81Å; Q244-I393 HydrophobicContact CB-CD1 3.88Å; Q244-I393 HydrophobicContact CG-CD1 3.6Å; Q244-I393 HydrophobicContact CG-CG1 3.92Å; Q244-N394 PolarHBondContact NE2-O 2.98Å; Q244-S395 PolarHBondContact NE2-O 3.16Å
245A95Very high94Very high0 Ų043.8 Ų43.80%022%0.219CC..Hα-helixtrans-63.1-42.2176.900000111.8A241 I242 E243 L248 A249 T369 I372 L376A241-A245 WeakPolarHBondContact O-CB 3.47Å; A241-A245 PolarHBondContact O-N 3.16Å; I242-A245 PolarHBondContact O-N 3.41Å; E243-A245 PolarHBondContact O-N 2.9Å; A245-L248 PolarHBondContact O-N 2.8Å; A245-A249 VanDerWaalsContact O-CB 3.26Å; A245-A249 WeakPolarHBondContact O-CB 3.23Å; A245-A249 PolarHBondContact O-N 3.19Å; A245-T369 HydrophobicContact CB-CG2 4.44Å; A245-I372 HydrophobicContact CB-CB 3.68Å; A245-I372 HydrophobicContact CB-CG2 3.44Å; A245-I372 VanDerWaalsContact CB-CG2 3.44Å; A245-L376 HydrophobicContact CB-CD1 4.14Å
246L95.3Very high94Very high0 Ų044.6 Ų44.60%022%0.222CC..Hα-helixtrans-66.4-44.6176.7-67.8168.2000111.6I242 E243 Q244 L248 A249 N250 K251 Y253 I346 E350 L376I242-L246 HydrophobicContact CG2-CD1 3.57Å; I242-L246 HydrophobicContact CG2-CG 4.21Å; I242-L246 WeakPolarHBondContact O-CB 3.44Å; I242-L246 VanDerWaalsContact O-CG 3.24Å; I242-L246 WeakPolarHBondContact O-CG 3.39Å; I242-L246 PolarHBondContact O-N 3.07Å; E243-L246 PolarHBondContact O-N 2.89Å; Q244-L246 VanDerWaalsContact C-N 3.35Å; Q244-L246 PolarHBondContact O-N 3.48Å; L246-L248 PolarHBondContact O-N 2.81Å; L246-A249 CarbonylContact O-C 3.58Å; L246-A249 PolarHBondContact O-N 3.46Å; L246-N250 PolarHBondContact O-N 3.3Å; L246-K251 HydrophobicContact CB-CB 4.32Å; L246-K251 HydrophobicContact CD2-CB 3.67Å; L246-K251 HydrophobicContact CD2-CG 4.33Å; L246-K251 PolarHBondContact O-N 3.45Å; L246-Y253 HydrophobicContact CB-CD1 4.07Å; L246-Y253 HydrophobicContact CD1-CG 4.22Å; L246-I346 HydrophobicContact CD1-CG2 4.02Å; L246-E350 HydrophobicContact CD2-CB 3.93Å; L246-E350 HydrophobicContact CD2-CG 3.85Å; L246-L376 HydrophobicContact CD2-CD1 3.84Å; L246-L376 HydrophobicContact CG-CD1 4.38Å
247K93.3Very high94Very high74 Ų7446.1 Ų46.132%0.32223%0.225SC..Hα-helixtrans-55-51.2172.3-76.8179.5-173.4168.20111.1E243 Q244 A249 N250 Y253 S395E243-K247 HydrophobicContact CG-CD 4.31Å; E243-K247 WeakPolarHBondContact O-CG 3.47Å; E243-K247 PolarHBondContact O-N 2.7Å; E243-K247 WeakPolarHBondContact OE1-CE 3.32Å; E243-K247 IonicContact OE1-NZ 3.82Å; E243-K247 PolarHBondContact OE1-NZ 3.48Å; Q244-K247 PolarHBondContact O-N 2.87Å; K247-A249 VanDerWaalsContact C-N 3.26Å; K247-A249 PolarHBondContact O-N 2.9Å; K247-N250 PolarHBondContact O-N 2.64Å; K247-Y253 WeakPolarHBondContact CE-OH 3.13Å; K247-Y253 HydrophobicContact CG-CE1 3.9Å; K247-S395 PolarHBondContact NZ-O 3.26Å
248L91.6Very high94.1Very high24 Ų2449.4 Ų49.413%0.12624%0.239CC..Hα-helixtrans-64.2-30.5-178.7-73.9172000113.6Q244 A245 L246 N250 T369 Y373 E464 K468Q244-L248 WeakPolarHBondContact O-CB 3.49Å; Q244-L248 WeakPolarHBondContact O-CG 3.3Å; Q244-L248 PolarHBondContact O-N 2.79Å; A245-L248 PolarHBondContact O-N 2.8Å; L246-L248 PolarHBondContact O-N 2.81Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-T369 HydrophobicContact CD1-CG2 4.08Å; L248-Y373 HydrophobicContact CB-CD2 3.52Å; L248-Y373 HydrophobicContact CB-CE2 3.57Å; L248-Y373 HydrophobicContact CB-CG 4.29Å; L248-Y373 HydrophobicContact CD1-CD2 4.43Å; L248-Y373 HydrophobicContact CD1-CG 4.41Å; L248-Y373 WeakPolarHBondContact O-CE2 3.45Å; L248-E464 HydrophobicContact CD1-CB 4.14Å; L248-E464 HydrophobicContact CD1-CG 3.75Å; L248-E464 HydrophobicContact CD2-CG 3.88Å; L248-E464 HydrophobicContact CG-CG 4.06Å; L248-K468 HydrophobicContact CD2-CD 4.13Å
249A93.1Very high94.1Very high19 Ų1948 Ų4816%0.15723%0.233CC..THydrogen-bonded Turntrans-86.7-1.3176.700000113.4A245 L246 K247 K251 Y373 L376 V377A245-A249 VanDerWaalsContact O-CB 3.26Å; A245-A249 WeakPolarHBondContact O-CB 3.23Å; A245-A249 PolarHBondContact O-N 3.19Å; L246-A249 CarbonylContact O-C 3.58Å; L246-A249 PolarHBondContact O-N 3.46Å; K247-A249 VanDerWaalsContact C-N 3.26Å; K247-A249 PolarHBondContact O-N 2.9Å; A249-K251 VanDerWaalsContact C-N 3.3Å; A249-K251 HydrophobicContact CB-CG 3.87Å; A249-K251 PolarHBondContact O-N 3.21Å; A249-Y373 HydrophobicContact CB-CD2 4.26Å; A249-Y373 HydrophobicContact CB-CE2 4.33Å; A249-L376 HydrophobicContact CB-CB 3.88Å; A249-L376 HydrophobicContact CB-CD1 4.05Å; A249-V377 HydrophobicContact CB-CG1 4.07Å
250N93.8Very high94.3Very high150 Ų15047.1 Ų47.180%0.80223%0.228SC*.THydrogen-bonded Turntrans53.943.2-173.1-59.5-49.4000112.9L246 K247 L248L246-N250 PolarHBondContact O-N 3.3Å; K247-N250 PolarHBondContact O-N 2.64Å; L248-N250 VanDerWaalsContact C-N 3.34Å
251K95.2Very high94.4Very high73 Ų7345.5 Ų45.532%0.31722%0.221SC..  trans-102.2139.2178-64.5-67.2-170.7151.20110.6L246 A249 E350L246-K251 HydrophobicContact CB-CB 4.32Å; L246-K251 HydrophobicContact CD2-CB 3.67Å; L246-K251 HydrophobicContact CD2-CG 4.33Å; L246-K251 PolarHBondContact O-N 3.45Å; A249-K251 VanDerWaalsContact C-N 3.3Å; A249-K251 HydrophobicContact CB-CG 3.87Å; A249-K251 PolarHBondContact O-N 3.21Å; K251-E350 HydrophobicContact CB-CG 4.29Å; K251-E350 HydrophobicContact CD-CG 4.24Å; K251-E350 VanDerWaalsContact CD-OE1 3.31Å; K251-E350 WeakPolarHBondContact CD-OE1 3.44Å; K251-E350 VanDerWaalsContact CE-OE1 3.25Å; K251-E350 WeakPolarHBondContact CE-OE1 3.3Å; K251-E350 HydrophobicContact CG-CG 4.14Å; K251-E350 IonicContact NZ-OE1 2.85Å; K251-E350 PolarHBondContact NZ-OE1 2.88Å
252P95.8Very high94.4Very high86 Ų8645.5 Ų45.556%0.55822%0.221SC*.  trans-72.8144.9179.531.2-34.7000111.4
253Y95Very high94.1Very high75 Ų7546.5 Ų46.529%0.29423%0.226SC..EExtended strand (participates in β ladder)trans-154.6163176.171.4-83.2000110.5E243 L246 K247 M255 D347E243-Y253 HydrophobicContact CG-CE2 3.74Å; E243-Y253 PolarHBondContact OE1-OH 3.37Å; L246-Y253 HydrophobicContact CB-CD1 4.07Å; L246-Y253 HydrophobicContact CD1-CG 4.22Å; K247-Y253 WeakPolarHBondContact CE-OH 3.13Å; K247-Y253 HydrophobicContact CG-CE1 3.9Å; Y253-M255 HydrophobicContact CD2-CG 4.37Å; Y253-M255 HydrophobicContact CD2-SD 4.27Å; Y253-M255 HydrophobicContact CE2-CG 3.91Å; Y253-M255 HydrophobicContact CE2-SD 4.01Å; Y253-D347 CarbonylContact C-O 3.57Å; Y253-D347 VanDerWaalsContact CA-O 3.28Å; Y253-D347 WeakPolarHBondContact CA-O 3.33Å; Y253-D347 WeakPolarHBondContact CB-O 3.28Å
254E93.9Very high93.9Very high119 Ų11946.6 Ų46.656%0.55623%0.23SC*.EExtended strand (participates in β ladder)trans-128.1133.5174.3-175-179170.400109.8D347E254-D347 HydrophobicContact CB-CB 4.46Å; E254-D347 PolarHBondContact N-O 3.11Å; E254-D347 PolarHBondContact O-N 3.2Å
255M89.6Confident93.8Very high65 Ų6548 Ų4832%0.3224%0.239SC..EExtended strand (participates in β ladder)trans-88114.8172-66.4-60.7-67.100109.7Y253 T344 I346Y253-M255 HydrophobicContact CD2-CG 4.37Å; Y253-M255 HydrophobicContact CD2-SD 4.27Å; Y253-M255 HydrophobicContact CE2-CG 3.91Å; Y253-M255 HydrophobicContact CE2-SD 4.01Å; M255-T344 HydrophobicContact CE-CG2 4.46Å; M255-I346 HydrophobicContact CE-CG1 4.11Å; M255-I346 HydrophobicContact SD-CD1 4.02Å; M255-I346 HydrophobicContact SD-CG1 3.35Å; M255-I346 WeakPolarHBondContact SD-CG1 3.44Å
256K92.4Very high93.7Very high80 Ų8051.5 Ų51.535%0.34826%0.256SS..EExtended strand (participates in β ladder)trans-92.6123.6175.3-68.7-178.7-179165.90110.5T344 E345 D347K256-T344 CarbonylContact O-C 3.55Å; K256-T344 VanDerWaalsContact O-CA 3.26Å; K256-T344 WeakPolarHBondContact O-CA 3.09Å; K256-E345 PolarHBondContact N-O 3.01Å; K256-E345 PolarHBondContact O-N 3.3Å; K256-D347 HydrophobicContact CD-CB 4.15Å; K256-D347 WeakPolarHBondContact CE-OD2 3.28Å; K256-D347 HydrophobicContact CG-CB 4.48Å; K256-D347 VanDerWaalsContact NZ-CG 3.31Å; K256-D347 IonicContact NZ-OD2 3.91Å; K256-D347 PolarHBondContact NZ-OD2 2.83Å
257Y93.1Very high93.3Very high61 Ų6161 Ų6124%0.23930%0.297CS..EExtended strand (participates in β ladder)trans-82.9114.3172.5-175.6-107.1000110.5G259 V260 F289 S291 S292 D342 T344Y257-G259 VanDerWaalsContact CE2-O 3.28Å; Y257-G259 WeakPolarHBondContact CE2-O 3.17Å; Y257-G259 VanDerWaalsContact CZ-C 3.45Å; Y257-G259 VanDerWaalsContact CZ-O 3.26Å; Y257-G259 VanDerWaalsContact OH-C 3.28Å; Y257-G259 PolarHBondContact OH-O 2.9Å; Y257-V260 WeakPolarHBondContact OH-CG2 3.27Å; Y257-F289 WeakPolarHBondContact CD1-O 3.34Å; Y257-F289 HydrophobicContact CE1-CB 4.49Å; Y257-F289 WeakPolarHBondContact CE1-O 3.5Å; Y257-S291 PolarHBondContact OH-O 3.38Å; Y257-S292 PolarHBondContact OH-N 3.02Å; Y257-D342 HydrophobicContact CE2-CB 3.98Å; Y257-D342 WeakPolarHBondContact CE2-OD1 3.35Å; Y257-T344 HydrophobicContact CD2-CG2 4.39Å
258K94.3Very high93.3Very high72 Ų7261.7 Ų61.731%0.31330%0.304SS..EExtended strand (participates in β ladder)trans-87.2-27179.4-71.6-180168.3168.20112.7H343 E345K258-H343 HydrophobicContact CB-CB 4.1Å; K258-H343 WeakPolarHBondContact CB-O 3.46Å; K258-H343 PolarHBondContact N-O 2.99Å; K258-E345 HydrophobicContact CD-CB 4.1Å; K258-E345 VanDerWaalsContact CE-CB 3.42Å; K258-E345 WeakPolarHBondContact CE-OE2 3.4Å; K258-E345 HydrophobicContact CG-CB 4.48Å; K258-E345 IonicContact NZ-OE1 3.03Å; K258-E345 PolarHBondContact NZ-OE1 3.49Å; K258-E345 IonicContact NZ-OE2 3.79Å; K258-E345 PolarHBondContact NZ-OE2 2.66Å
259G96.3Very high93.4Very high3 Ų360.9 Ų60.93%0.03130%0.3CS..EExtended strand (participates in β ladder)trans144.3-159.2-179.900000112.6Y257 V281 H343Y257-G259 VanDerWaalsContact CE2-O 3.28Å; Y257-G259 WeakPolarHBondContact CE2-O 3.17Å; Y257-G259 VanDerWaalsContact CZ-C 3.45Å; Y257-G259 VanDerWaalsContact CZ-O 3.26Å; Y257-G259 VanDerWaalsContact OH-C 3.28Å; Y257-G259 PolarHBondContact OH-O 2.9Å; G259-V281 WeakPolarHBondContact CA-O 3.43Å; G259-H343 PolarHBondContact N-O 2.83Å; G259-H343 WeakPolarHBondContact O-CB 3.49Å; G259-H343 PolarHBondContact O-N 3.05Å
260V96.8Very high93.6Very high1 Ų163.6 Ų63.61%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-100.1111.8179.9175.20000109.3Y257 T280 V281 F295 L340 T341Y257-V260 WeakPolarHBondContact OH-CG2 3.27Å; V260-T280 CarbonylContact O-C 3.28Å; V260-T280 WeakPolarHBondContact O-CA 3.31Å; V260-V281 HydrophobicContact CB-CB 4.18Å; V260-V281 PolarHBondContact N-O 2.89Å; V260-V281 PolarHBondContact O-N 3.28Å; V260-F295 HydrophobicContact CG1-CD1 4.26Å; V260-F295 HydrophobicContact CG1-CE1 4.32Å; V260-F295 HydrophobicContact CG2-CB 3.75Å; V260-F295 HydrophobicContact CG2-CD1 3.9Å; V260-F295 HydrophobicContact CG2-CD2 4.19Å; V260-F295 HydrophobicContact CG2-CG 3.7Å; V260-L340 HydrophobicContact CG1-CB 3.5Å; V260-L340 HydrophobicContact CG1-CD1 4.13Å; V260-L340 HydrophobicContact CG1-CD2 3.73Å; V260-L340 HydrophobicContact CG1-CG 3.98Å; V260-T341 CarbonylContact C-O 3.43Å; V260-T341 WeakPolarHBondContact CA-O 3.19Å
261Y96.2Very high93.8Very high18 Ų1856.5 Ų56.57%0.07127%0.274CS..EExtended strand (participates in β ladder)trans-76.3136.5176.1-167.8-96.5000111F232 L263 G278 L340 T341 H343F232-Y261 HydrophobicContact CB-CD1 4.36Å; F232-Y261 HydrophobicContact CB-CE1 3.59Å; F232-Y261 HydrophobicContact CB-CE2 4.23Å; F232-Y261 VanDerWaalsContact CB-CZ 3.48Å; F232-Y261 WeakPolarHBondContact CB-OH 3.32Å; F232-Y261 AromaticContact CD1-CD1 3.61Å; F232-Y261 HydrophobicContact CD1-CD1 3.61Å; F232-Y261 AromaticContact CD1-CE1 3.71Å; F232-Y261 HydrophobicContact CD1-CE1 3.71Å; F232-Y261 HydrophobicContact CD1-CG 4.1Å; F232-Y261 AromaticContact CD2-CD1 3.78Å; F232-Y261 HydrophobicContact CD2-CD1 3.78Å; F232-Y261 AromaticContact CD2-CD2 3.36Å; F232-Y261 HydrophobicContact CD2-CD2 3.36Å; F232-Y261 AromaticContact CD2-CE1 3.69Å; F232-Y261 HydrophobicContact CD2-CE1 3.69Å; F232-Y261 AromaticContact CD2-CE2 3.25Å; F232-Y261 HydrophobicContact CD2-CE2 3.25Å; F232-Y261 AromaticContact CD2-CG 3.61Å; F232-Y261 HydrophobicContact CD2-CG 3.61Å; F232-Y261 AromaticContact CD2-CZ 3.4Å; F232-Y261 AromaticContact CE1-CD1 3.81Å; F232-Y261 HydrophobicContact CE1-CD1 3.81Å; F232-Y261 HydrophobicContact CE1-CE1 4.36Å; F232-Y261 AromaticContact CE1-CG 3.95Å; F232-Y261 HydrophobicContact CE1-CG 3.95Å; F232-Y261 AromaticContact CE2-CD1 3.93Å; F232-Y261 HydrophobicContact CE2-CD1 3.93Å; F232-Y261 AromaticContact CE2-CD2 3.31Å; F232-Y261 HydrophobicContact CE2-CD2 3.31Å; F232-Y261 HydrophobicContact CE2-CE1 4.31Å; F232-Y261 AromaticContact CE2-CE2 3.75Å; F232-Y261 HydrophobicContact CE2-CE2 3.75Å; F232-Y261 AromaticContact CE2-CG 3.39Å; F232-Y261 HydrophobicContact CE2-CG 3.39Å; F232-Y261 AromaticContact CG-CD1 3.6Å; F232-Y261 HydrophobicContact CG-CD1 3.6Å; F232-Y261 HydrophobicContact CG-CD2 4.06Å; F232-Y261 AromaticContact CG-CE1 3.33Å; F232-Y261 HydrophobicContact CG-CE1 3.33Å; F232-Y261 AromaticContact CG-CE2 3.81Å; F232-Y261 HydrophobicContact CG-CE2 3.81Å; F232-Y261 AromaticContact CG-CG 3.95Å; F232-Y261 HydrophobicContact CG-CG 3.95Å; F232-Y261 AromaticContact CG-CZ 3.41Å; F232-Y261 VanDerWaalsContact CG-CZ 3.41Å; F232-Y261 AromaticContact CZ-CD1 3.94Å; F232-Y261 HydrophobicContact CZ-CD1 3.94Å; F232-Y261 HydrophobicContact CZ-CD2 4Å; F232-Y261 AromaticContact CZ-CG 3.57Å; F232-Y261 HydrophobicContact CZ-CG 3.57Å; Y261-L263 HydrophobicContact CD1-CD2 3.66Å; Y261-L263 HydrophobicContact CD1-CG 4.2Å; Y261-L263 HydrophobicContact CE1-CD2 3.84Å; Y261-G278 WeakPolarHBondContact CE2-O 3.32Å; Y261-G278 WeakPolarHBondContact OH-CA 3.29Å; Y261-L340 WeakPolarHBondContact O-CA 3.24Å; Y261-L340 WeakPolarHBondContact O-CB 3.2Å; Y261-T341 HydrophobicContact CD1-CG2 4.45Å; Y261-T341 PolarHBondContact N-O 3.08Å; Y261-T341 PolarHBondContact O-N 2.85Å; Y261-T341 VanDerWaalsContact O-N 3.08Å; Y261-H343 AromaticContact CD2-ND1 3.92Å
262V96.4Very high93.7Very high0 Ų056 Ų560%028%0.28CS..EExtended strand (participates in β ladder)trans-93112-180-179.20000109.9V265 I275 S276 G278 D279 V281 I338V262-V265 HydrophobicContact CG1-CG2 3.78Å; V262-I275 HydrophobicContact CB-CG2 4.44Å; V262-I275 HydrophobicContact CG1-CG2 4.16Å; V262-I275 HydrophobicContact CG2-CG2 3.79Å; V262-S276 WeakPolarHBondContact CG1-O 3.48Å; V262-G278 PolarHBondContact O-N 2.86Å; V262-G278 VanDerWaalsContact O-N 3.09Å; V262-D279 HydrophobicContact CB-CB 4.35Å; V262-D279 HydrophobicContact CG2-CB 4.07Å; V262-D279 WeakPolarHBondContact CG2-O 2.86Å; V262-D279 PolarHBondContact N-O 3.16Å; V262-V281 HydrophobicContact CG2-CG2 4.13Å; V262-I338 HydrophobicContact CG1-CB 4.28Å; V262-I338 HydrophobicContact CG1-CG2 4.15Å; V262-I338 HydrophobicContact CG2-CD1 4.12Å
263L90.2Very high93.4Very high40 Ų4055.2 Ų55.221%0.20929%0.287CS..EExtended strand (participates in β ladder)trans-92.4-14.1177-63.6174.6000113.2I229 F232 Y261 T339 T341I229-L263 VanDerWaalsContact CD1-O 3.25Å; I229-L263 WeakPolarHBondContact CD1-O 3.42Å; I229-L263 HydrophobicContact CG1-CD2 4.47Å; I229-L263 HydrophobicContact CG2-CD2 4.37Å; F232-L263 HydrophobicContact CD1-CD2 4.12Å; Y261-L263 HydrophobicContact CD1-CD2 3.66Å; Y261-L263 HydrophobicContact CD1-CG 4.2Å; Y261-L263 HydrophobicContact CE1-CD2 3.84Å; L263-T339 HydrophobicContact CB-CG2 4.03Å; L263-T339 HydrophobicContact CD1-CG2 4.42Å; L263-T339 PolarHBondContact N-O 3.03Å; L263-T341 HydrophobicContact CD1-CG2 3.8Å; L263-T341 HydrophobicContact CD2-CG2 4.18Å; L263-T341 HydrophobicContact CG-CG2 4Å
264G90.6Very high93.4Very high15 Ų1557.1 Ų57.116%0.15530%0.297CS..EExtended strand (participates in β ladder)trans-174.6152.4-177.700000111.3I338 T339G264-I338 CarbonylContact O-C 3.56Å; G264-I338 WeakPolarHBondContact O-CA 3.16Å; G264-I338 WeakPolarHBondContact O-CB 3.33Å; G264-T339 PolarHBondContact N-O 2.93Å; G264-T339 PolarHBondContact O-N 3.25Å
265V92.9Very high93.5Very high33 Ų3351.6 Ų51.620%0.227%0.271CS..EExtended strand (participates in β ladder)trans-127.6122.9176.3-171.10000109.1V262 I338V262-V265 HydrophobicContact CG1-CG2 3.78Å; V265-I338 HydrophobicContact CG1-CG2 4.3Å; V265-I338 HydrophobicContact CG2-CG2 4.12Å
266E91.5Very high93.7Very high74 Ų7450.7 Ų50.735%0.34627%0.271SS..  trans-62.9136.9179.7-68.2-75.9-176.500110.8N268 S269 G337E266-N268 WeakPolarHBondContact CB-OD1 3.44Å; E266-N268 PolarHBondContact O-N 2.89Å; E266-N268 VanDerWaalsContact O-N 3.13Å; E266-S269 WeakPolarHBondContact O-CB 3.41Å; E266-S269 PolarHBondContact O-N 3.49Å; E266-G337 WeakPolarHBondContact CB-O 3.39Å; E266-G337 PolarHBondContact N-O 3.28Å
267K88.4Confident93.7Very high200 Ų20047.1 Ų47.187%0.8726%0.257SS*.THydrogen-bonded Turntrans-59.7-27.9179.8-69.1-178.4-179.9173.90113.4
268N91.7Very high93.7Very high87 Ų8745.5 Ų45.547%0.46526%0.258SS..THydrogen-bonded Turntrans-91.32.7177.971.9-16.2000113.4E266 I326E266-N268 WeakPolarHBondContact CB-OD1 3.44Å; E266-N268 PolarHBondContact O-N 2.89Å; E266-N268 VanDerWaalsContact O-N 3.13Å; N268-I326 WeakPolarHBondContact OD1-CD1 3.31Å
269S95.2Very high93.9Very high7 Ų742.1 Ų42.15%0.04924%0.243CC..  trans-67.9134.6175.1177.90000110.7E266 F271 S272 I336E266-S269 WeakPolarHBondContact O-CB 3.41Å; E266-S269 PolarHBondContact O-N 3.49Å; S269-F271 PolarHBondContact O-N 3.32Å; S269-F271 WeakPolarHBondContact OG-CB 3.46Å; S269-F271 PolarHBondContact OG-N 3.29Å; S269-S272 VanDerWaalsContact O-CB 3.23Å; S269-S272 WeakPolarHBondContact O-CB 3.37Å; S269-S272 PolarHBondContact O-N 3.09Å; S269-S272 VanDerWaalsContact O-N 3.13Å; S269-I336 WeakPolarHBondContact CB-O 3.31Å; S269-I336 PolarHBondContact OG-O 2.98Å
270N97Very high93.9Very high77 Ų7742.2 Ų42.241%0.41224%0.244SC..THydrogen-bonded Turntrans-68.5-14.3169.3-62-45.9000112.4E323 K324 I326N270-E323 HydrophobicContact CB-CB 4.03Å; N270-E323 WeakPolarHBondContact O-CG 3.28Å; N270-K324 PolarHBondContact ND2-O 3.39Å; N270-I326 WeakPolarHBondContact ND2-CG2 3.35Å
271F96.7Very high94Very high0 Ų042.3 Ų42.30%024%0.244CC..THydrogen-bonded Turntrans-88-4.8174-69.2-95.6000112.9S269 G273 K274 I275 M308 V310 A321 E323 I336S269-F271 PolarHBondContact O-N 3.32Å; S269-F271 WeakPolarHBondContact OG-CB 3.46Å; S269-F271 PolarHBondContact OG-N 3.29Å; F271-G273 PolarHBondContact O-N 3.37Å; F271-K274 WeakPolarHBondContact O-CA 3.1Å; F271-K274 WeakPolarHBondContact O-CB 3.39Å; F271-K274 PolarHBondContact O-N 2.93Å; F271-I275 HydrophobicContact CB-CD1 4.13Å; F271-I275 HydrophobicContact CB-CG1 4.38Å; F271-I275 HydrophobicContact CD1-CD1 3.59Å; F271-I275 HydrophobicContact CD1-CG1 4.2Å; F271-I275 HydrophobicContact CE1-CD1 4.31Å; F271-I275 HydrophobicContact CG-CD1 4.14Å; F271-I275 PolarHBondContact O-N 3.03Å; F271-M308 HydrophobicContact CZ-CB 4.49Å; F271-V310 HydrophobicContact CD1-CG2 4.39Å; F271-V310 HydrophobicContact CE1-CB 4.03Å; F271-V310 HydrophobicContact CE1-CG2 3.5Å; F271-V310 HydrophobicContact CZ-CG2 3.75Å; F271-A321 HydrophobicContact CD1-CB 4.12Å; F271-A321 HydrophobicContact CE1-CB 4.22Å; F271-E323 HydrophobicContact CD1-CB 4.05Å; F271-E323 HydrophobicContact CD1-CG 4.37Å; F271-E323 HydrophobicContact CD2-CB 3.87Å; F271-E323 HydrophobicContact CE1-CB 3.86Å; F271-E323 HydrophobicContact CE1-CG 4.46Å; F271-E323 HydrophobicContact CE2-CB 3.69Å; F271-E323 HydrophobicContact CG-CB 4.06Å; F271-E323 HydrophobicContact CZ-CB 3.69Å; F271-I336 HydrophobicContact CB-CG2 4.06Å; F271-I336 HydrophobicContact CD1-CG2 4.34Å; F271-I336 HydrophobicContact CD2-CB 4.26Å; F271-I336 HydrophobicContact CD2-CG2 3.51Å; F271-I336 HydrophobicContact CE2-CB 4.34Å; F271-I336 HydrophobicContact CE2-CG1 4.14Å; F271-I336 HydrophobicContact CE2-CG2 3.95Å; F271-I336 HydrophobicContact CG-CG2 3.72Å; F271-I336 HydrophobicContact CZ-CG1 4.49Å
272S92.8Very high94Very high63 Ų6343.3 Ų43.344%0.44125%0.252SS..BIsolated β-bridgetrans-58.2130.3176.1-1720000110.9S269 K274S269-S272 VanDerWaalsContact O-CB 3.23Å; S269-S272 WeakPolarHBondContact O-CB 3.37Å; S269-S272 PolarHBondContact O-N 3.09Å; S269-S272 VanDerWaalsContact O-N 3.13Å; S272-K274 PolarHBondContact O-N 3.48Å
273G91.3Very high94.1Very high69 Ų6947.5 Ų47.571%0.71127%0.27SS*.THydrogen-bonded Turntrans771.1-173.800000115F271F271-G273 PolarHBondContact O-N 3.37Å
274K94.8Very high94.5Very high116 Ų11645.6 Ų45.650%0.50426%0.26SS..THydrogen-bonded Turntrans-109.1-47.1168.8-59.3-59.4-178-1710111.1F271 S272 Y312 A321F271-K274 WeakPolarHBondContact O-CA 3.1Å; F271-K274 WeakPolarHBondContact O-CB 3.39Å; F271-K274 PolarHBondContact O-N 2.93Å; S272-K274 PolarHBondContact O-N 3.48Å; K274-Y312 PolarHBondContact O-OH 3.45Å; K274-A321 HydrophobicContact CB-CB 3.98Å
275I96Very high94.8Very high2 Ų247.6 Ų47.61%0.0127%0.267CS..BIsolated β-bridgetrans-103.2140.8170.1-61.4176.5000106.8V262 F271 D279 V310 Y312 I336V262-I275 HydrophobicContact CB-CG2 4.44Å; V262-I275 HydrophobicContact CG1-CG2 4.16Å; V262-I275 HydrophobicContact CG2-CG2 3.79Å; F271-I275 HydrophobicContact CB-CD1 4.13Å; F271-I275 HydrophobicContact CB-CG1 4.38Å; F271-I275 HydrophobicContact CD1-CD1 3.59Å; F271-I275 HydrophobicContact CD1-CG1 4.2Å; F271-I275 HydrophobicContact CE1-CD1 4.31Å; F271-I275 HydrophobicContact CG-CD1 4.14Å; F271-I275 PolarHBondContact O-N 3.03Å; I275-D279 VanDerWaalsContact CA-OD2 3.28Å; I275-D279 WeakPolarHBondContact CA-OD2 3.15Å; I275-D279 HydrophobicContact CG2-CB 4.09Å; I275-V310 HydrophobicContact CD1-CB 4.24Å; I275-V310 HydrophobicContact CD1-CG1 3.85Å; I275-Y312 HydrophobicContact CD1-CD1 4.47Å; I275-Y312 HydrophobicContact CG1-CD1 4.09Å; I275-Y312 HydrophobicContact CG1-CE1 4.04Å; I275-Y312 HydrophobicContact CG1-CG 4.48Å; I275-I336 HydrophobicContact CD1-CG2 4.4Å
276S94.1Very high94.9Very high46 Ų4648.7 Ų48.732%0.32229%0.285SS..  trans-126.4163.3-179.4-510000110.7V262 G278 D279V262-S276 WeakPolarHBondContact CG1-O 3.48Å; S276-G278 PolarHBondContact O-N 3.25Å; S276-D279 PolarHBondContact N-OD2 3.45Å; S276-D279 WeakPolarHBondContact O-CB 3.36Å; S276-D279 PolarHBondContact O-N 3.27Å
277V92.2Very high95.2Very high6 Ų650.5 Ų50.54%0.03629%0.292CS..THydrogen-bonded Turntrans-53.4140163.8179.40000108.5E225 Q228 I229E225-V277 HydrophobicContact CB-CB 4.27Å; E225-V277 HydrophobicContact CB-CG1 4.29Å; E225-V277 HydrophobicContact CB-CG2 4.1Å; E225-V277 HydrophobicContact CG-CB 3.97Å; E225-V277 HydrophobicContact CG-CG2 3.78Å; Q228-V277 HydrophobicContact CB-CG1 4.17Å; Q228-V277 PolarHBondContact OE1-O 3.47Å; I229-V277 HydrophobicContact CD1-CG1 4.26Å; I229-V277 HydrophobicContact CG1-CG1 3.8Å
278G93.2Very high95.6Very high26 Ų2645.8 Ų45.827%0.26828%0.28SS..THydrogen-bonded Turntrans96.1-19.5-17500000115.4Y261 V262 S276Y261-G278 WeakPolarHBondContact CE2-O 3.32Å; Y261-G278 WeakPolarHBondContact OH-CA 3.29Å; V262-G278 PolarHBondContact O-N 2.86Å; V262-G278 VanDerWaalsContact O-N 3.09Å; S276-G278 PolarHBondContact O-N 3.25Å
279D96.7Very high95.8Very high1 Ų143.1 Ų43.11%0.00527%0.265CS..  trans-69.5147.4179-72.7-19.7000111.9V262 I275 S276 Y312 T313 H314V262-D279 HydrophobicContact CB-CB 4.35Å; V262-D279 HydrophobicContact CG2-CB 4.07Å; V262-D279 WeakPolarHBondContact CG2-O 2.86Å; V262-D279 PolarHBondContact N-O 3.16Å; I275-D279 VanDerWaalsContact CA-OD2 3.28Å; I275-D279 WeakPolarHBondContact CA-OD2 3.15Å; I275-D279 HydrophobicContact CG2-CB 4.09Å; S276-D279 PolarHBondContact N-OD2 3.45Å; S276-D279 WeakPolarHBondContact O-CB 3.36Å; S276-D279 PolarHBondContact O-N 3.27Å; D279-Y312 HydrophobicContact CB-CD2 4.03Å; D279-Y312 WeakPolarHBondContact OD2-CD2 3.29Å; D279-Y312 WeakPolarHBondContact OD2-CE2 3.45Å; D279-T313 WeakPolarHBondContact CA-O 3.31Å; D279-H314 WeakPolarHBondContact OD1-CA 3.49Å; D279-H314 VanDerWaalsContact OD1-CB 3.26Å; D279-H314 WeakPolarHBondContact OD1-CB 3.31Å; D279-H314 IonicContact OD1-CE1 2.68Å; D279-H314 IonicContact OD1-CG 3.8Å; D279-H314 VanDerWaalsContact OD1-CG 3.31Å; D279-H314 IonicContact OD1-ND1 2.89Å; D279-H314 PolarHBondContact OD1-ND1 3.13Å; D279-H314 IonicContact OD2-ND1 3.82Å
280T97.2Very high95.7Very high6 Ų648.1 Ų48.14%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-113.9110.5168.7-57.60000110.1V260 T282 Y312 T313 H343V260-T280 CarbonylContact O-C 3.28Å; V260-T280 WeakPolarHBondContact O-CA 3.31Å; T280-T282 PolarHBondContact O-N 3.23Å; T280-Y312 CarbonylContact O-C 3.55Å; T280-Y312 WeakPolarHBondContact O-CA 3.4Å; T280-Y312 WeakPolarHBondContact O-CB 3.42Å; T280-T313 WeakPolarHBondContact CB-OG1 3.19Å; T280-T313 PolarHBondContact N-O 2.96Å; T280-T313 VanDerWaalsContact N-O 3.08Å; T280-T313 PolarHBondContact O-N 3.27Å; T280-H343 HydrophobicContact CG2-CB 3.95Å; T280-H343 PolarHBondContact OG1-ND1 3Å
281V98Very high95.6Very high2 Ų245.5 Ų45.51%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-74.5117.4175.4175.10000109.3G259 V260 V262 F295 V310G259-V281 WeakPolarHBondContact CA-O 3.43Å; V260-V281 HydrophobicContact CB-CB 4.18Å; V260-V281 PolarHBondContact N-O 2.89Å; V260-V281 PolarHBondContact O-N 3.28Å; V262-V281 HydrophobicContact CG2-CG2 4.13Å; V281-F295 HydrophobicContact CG1-CD2 4.46Å; V281-F295 HydrophobicContact CG1-CE2 3.55Å; V281-F295 HydrophobicContact CG1-CZ 3.84Å; V281-V310 HydrophobicContact CB-CG1 4.26Å; V281-V310 HydrophobicContact CG1-CG1 3.52Å; V281-V310 HydrophobicContact CG2-CG1 3.79Å
282T97.6Very high95.5Very high40 Ų4046.3 Ų46.325%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-101.5-26.9-177.358.50000112.6T280 T311 T313T280-T282 PolarHBondContact O-N 3.23Å; T282-T311 PolarHBondContact N-O 3.14Å; T282-T311 PolarHBondContact OG1-O 2.99Å; T282-T313 HydrophobicContact CG2-CG2 4.21Å
283K98Very high95.6Very high87 Ų8750.2 Ų50.238%0.37830%0.3SS..EExtended strand (participates in β ladder)trans-145.1150.7179.5-53177.5-176.61720113K287 T288 T311K283-K287 CarbonylContact C-O 3.56Å; K283-K287 WeakPolarHBondContact CA-O 3.16Å; K283-K287 WeakPolarHBondContact CB-O 3.32Å; K283-T288 HydrophobicContact CD-CG2 4.35Å; K283-T288 HydrophobicContact CG-CG2 3.94Å; K283-T311 PolarHBondContact N-O 3.42Å; K283-T311 PolarHBondContact O-N 2.95Å
284A97.8Very high95.8Very high0 Ų050 Ų500%028%0.282CS..EExtended strand (participates in β ladder)trans-128.9124.5165.600000110G286 K287 F289 F295 Y298 M308 K309A284-G286 PolarHBondContact O-N 3.01Å; A284-K287 PolarHBondContact N-O 3.22Å; A284-K287 WeakPolarHBondContact O-CB 3.42Å; A284-K287 PolarHBondContact O-N 3.21Å; A284-F289 HydrophobicContact CB-CE2 3.8Å; A284-F289 HydrophobicContact CB-CZ 4.06Å; A284-F295 HydrophobicContact CB-CD2 4.41Å; A284-F295 HydrophobicContact CB-CE2 3.9Å; A284-Y298 HydrophobicContact CB-CD1 4.05Å; A284-Y298 HydrophobicContact CB-CE1 3.85Å; A284-M308 HydrophobicContact CB-CG 4.47Å; A284-M308 HydrophobicContact CB-SD 3.98Å; A284-K309 CarbonylContact C-O 3.59Å; A284-K309 WeakPolarHBondContact CA-O 3.38Å
285D97.3Very high96Very high57 Ų5744.7 Ų44.731%0.30526%0.259SS..THydrogen-bonded Turntrans4938.8-171.9-54.1-44.3000113K287 Y298 M308 K309D285-K287 PolarHBondContact O-N 3.02Å; D285-Y298 WeakPolarHBondContact CB-OH 3.47Å; D285-Y298 PolarHBondContact OD2-OH 2.77Å; D285-M308 WeakPolarHBondContact OD1-CA 3.43Å; D285-K309 PolarHBondContact N-O 3.13Å; D285-K309 PolarHBondContact OD1-N 2.86Å
286G96.1Very high95.9Very high56 Ų5647.8 Ų47.858%0.57728%0.275SS*.THydrogen-bonded Turntrans76.5-5.2-177.500000115.3A284A284-G286 PolarHBondContact O-N 3.01Å
287K96.9Very high96Very high112 Ų11252.9 Ų52.949%0.48729%0.291SS..BIsolated β-bridgetrans-82.8139.3174.8-59.1-177.4-178.5178.70110.9K283 A284 D285 F289 Y298K283-K287 CarbonylContact C-O 3.56Å; K283-K287 WeakPolarHBondContact CA-O 3.16Å; K283-K287 WeakPolarHBondContact CB-O 3.32Å; A284-K287 PolarHBondContact N-O 3.22Å; A284-K287 WeakPolarHBondContact O-CB 3.42Å; A284-K287 PolarHBondContact O-N 3.21Å; D285-K287 PolarHBondContact O-N 3.02Å; K287-F289 HydrophobicContact CB-CE2 4.45Å; K287-F289 HydrophobicContact CB-CZ 4.06Å; K287-F289 VanDerWaalsContact O-CE2 3.28Å; K287-F289 WeakPolarHBondContact O-CE2 3.42Å; K287-Y298 HydrophobicContact CD-CD2 4.29Å; K287-Y298 HydrophobicContact CD-CE2 3.79Å; K287-Y298 VanDerWaalsContact NZ-CE2 3.34Å
288T96.6Very high96.3Very high101 Ų10154.2 Ų54.262%0.6230%0.295SS*.  trans-94.4160.4170.352.60000110.3K283K283-T288 HydrophobicContact CD-CG2 4.35Å; K283-T288 HydrophobicContact CG-CG2 3.94Å
289F96.2Very high96.5Very high32 Ų3253.3 Ų53.314%0.1429%0.285CS..  trans-130.8162.1-179.9-55.6-83.2000109.9Y257 A284 K287 D294 F295 Y298Y257-F289 WeakPolarHBondContact CD1-O 3.34Å; Y257-F289 HydrophobicContact CE1-CB 4.49Å; Y257-F289 WeakPolarHBondContact CE1-O 3.5Å; A284-F289 HydrophobicContact CB-CE2 3.8Å; A284-F289 HydrophobicContact CB-CZ 4.06Å; K287-F289 HydrophobicContact CB-CE2 4.45Å; K287-F289 HydrophobicContact CB-CZ 4.06Å; K287-F289 VanDerWaalsContact O-CE2 3.28Å; K287-F289 WeakPolarHBondContact O-CE2 3.42Å; F289-D294 HydrophobicContact CB-CB 4.42Å; F289-D294 HydrophobicContact CD1-CB 4.18Å; F289-F295 HydrophobicContact CB-CB 4.22Å; F289-F295 HydrophobicContact CD1-CB 4.18Å; F289-F295 HydrophobicContact CD2-CB 4.09Å; F289-F295 AromaticContact CD2-CD2 3.6Å; F289-F295 HydrophobicContact CD2-CD2 3.6Å; F289-F295 HydrophobicContact CD2-CG 4.35Å; F289-F295 AromaticContact CE2-CD2 3.59Å; F289-F295 HydrophobicContact CE2-CD2 3.59Å; F289-F295 HydrophobicContact CE2-CE2 4.31Å; F289-F295 HydrophobicContact CG-CB 3.86Å; F289-F295 HydrophobicContact CG-CD2 4.25Å; F289-F295 HydrophobicContact CZ-CD2 4.23Å; F289-Y298 VanDerWaalsContact CE1-CB 3.47Å; F289-Y298 AromaticContact CE1-CD1 3.95Å; F289-Y298 HydrophobicContact CE1-CD1 3.95Å; F289-Y298 AromaticContact CE1-CG 3.78Å; F289-Y298 HydrophobicContact CE1-CG 3.78Å; F289-Y298 AromaticContact CZ-CD1 3.44Å; F289-Y298 HydrophobicContact CZ-CD1 3.44Å; F289-Y298 VanDerWaalsContact CZ-CD1 3.44Å; F289-Y298 HydrophobicContact CZ-CE1 4.18Å; F289-Y298 AromaticContact CZ-CG 3.77Å; F289-Y298 HydrophobicContact CZ-CG 3.77Å
290T93.9Very high96.4Very high111 Ų11156.9 Ų56.968%0.68130%0.3SS*.SBendtrans-108.2-8.7177.738.70000112.9D294T290-D294 PolarHBondContact OG1-OD2 2.9Å
291S94.4Very high96.3Very high23 Ų2360.4 Ų60.416%0.16133%0.325CS..SBendtrans-159.3159.6177.867.50000110.4Y257 E293 D294 F295Y257-S291 PolarHBondContact OH-O 3.38Å; S291-E293 PolarHBondContact O-N 3.27Å; S291-D294 PolarHBondContact O-N 3.24Å; S291-D294 WeakPolarHBondContact OG-CB 3.45Å; S291-D294 PolarHBondContact OG-N 3.4Å; S291-D294 PolarHBondContact OG-OD2 2.84Å; S291-F295 PolarHBondContact O-N 2.8Å; S291-F295 VanDerWaalsContact O-N 3.08Å
292S93.9Very high96.3Very high17 Ų1762.2 Ų62.212%0.11933%0.334CS..Hα-helixtrans-65-29.3170.952.90000112Y257 F295 M296 D342Y257-S292 PolarHBondContact OH-N 3.02Å; S292-F295 PolarHBondContact O-N 3.36Å; S292-M296 WeakPolarHBondContact O-CB 3.49Å; S292-M296 VanDerWaalsContact O-CG 3.26Å; S292-M296 WeakPolarHBondContact O-CG 3.4Å; S292-M296 PolarHBondContact O-N 3.21Å; S292-D342 WeakPolarHBondContact CA-OD1 3.32Å; S292-D342 WeakPolarHBondContact CB-OD1 3.31Å; S292-D342 PolarHBondContact N-OD1 3.49Å; S292-D342 PolarHBondContact OG-OD1 2.91Å
293E95.5Very high96.2Very high144 Ų14467.9 Ų67.967%0.67336%0.355SS*.Hα-helixtrans-63.6-47.8173-170.9-179.2172.600111.2S291 F295 M296 K297S291-E293 PolarHBondContact O-N 3.27Å; E293-F295 VanDerWaalsContact C-N 3.32Å; E293-F295 PolarHBondContact O-N 3.14Å; E293-M296 PolarHBondContact O-N 3.01Å; E293-K297 VanDerWaalsContact O-CB 3.31Å; E293-K297 WeakPolarHBondContact O-CB 3.37Å; E293-K297 PolarHBondContact O-N 3.43Å
294D96Very high96.2Very high65 Ų6567.4 Ų67.435%0.34836%0.359SS..Hα-helixtrans-61.3-42.5176.8-68.2-42.6000111.4F289 T290 S291 K297 Y298F289-D294 HydrophobicContact CB-CB 4.42Å; F289-D294 HydrophobicContact CD1-CB 4.18Å; T290-D294 PolarHBondContact OG1-OD2 2.9Å; S291-D294 PolarHBondContact O-N 3.24Å; S291-D294 WeakPolarHBondContact OG-CB 3.45Å; S291-D294 PolarHBondContact OG-N 3.4Å; S291-D294 PolarHBondContact OG-OD2 2.84Å; D294-K297 PolarHBondContact O-N 3.37Å; D294-Y298 PolarHBondContact O-N 2.94Å
295F97.4Very high96.1Very high4 Ų469.2 Ų69.22%0.01838%0.378CS..Hα-helixtrans-59.4-51.9173.8174.2-96.7000111.6V260 V281 A284 F289 S291 S292 E293 K297 Y298 V299 I336 I338 L340V260-F295 HydrophobicContact CG1-CD1 4.26Å; V260-F295 HydrophobicContact CG1-CE1 4.32Å; V260-F295 HydrophobicContact CG2-CB 3.75Å; V260-F295 HydrophobicContact CG2-CD1 3.9Å; V260-F295 HydrophobicContact CG2-CD2 4.19Å; V260-F295 HydrophobicContact CG2-CG 3.7Å; V281-F295 HydrophobicContact CG1-CD2 4.46Å; V281-F295 HydrophobicContact CG1-CE2 3.55Å; V281-F295 HydrophobicContact CG1-CZ 3.84Å; A284-F295 HydrophobicContact CB-CD2 4.41Å; A284-F295 HydrophobicContact CB-CE2 3.9Å; F289-F295 HydrophobicContact CB-CB 4.22Å; F289-F295 HydrophobicContact CD1-CB 4.18Å; F289-F295 HydrophobicContact CD2-CB 4.09Å; F289-F295 AromaticContact CD2-CD2 3.6Å; F289-F295 HydrophobicContact CD2-CD2 3.6Å; F289-F295 HydrophobicContact CD2-CG 4.35Å; F289-F295 AromaticContact CE2-CD2 3.59Å; F289-F295 HydrophobicContact CE2-CD2 3.59Å; F289-F295 HydrophobicContact CE2-CE2 4.31Å; F289-F295 HydrophobicContact CG-CB 3.86Å; F289-F295 HydrophobicContact CG-CD2 4.25Å; F289-F295 HydrophobicContact CZ-CD2 4.23Å; S291-F295 PolarHBondContact O-N 2.8Å; S291-F295 VanDerWaalsContact O-N 3.08Å; S292-F295 PolarHBondContact O-N 3.36Å; E293-F295 VanDerWaalsContact C-N 3.32Å; E293-F295 PolarHBondContact O-N 3.14Å; F295-K297 VanDerWaalsContact C-N 3.32Å; F295-K297 PolarHBondContact O-N 3.38Å; F295-Y298 WeakPolarHBondContact O-CB 3.18Å; F295-Y298 PolarHBondContact O-N 2.63Å; F295-V299 HydrophobicContact CD1-CG2 4.27Å; F295-V299 HydrophobicContact CD2-CG2 4.49Å; F295-V299 HydrophobicContact CE1-CG2 3.96Å; F295-V299 HydrophobicContact CE2-CG2 4.21Å; F295-V299 HydrophobicContact CZ-CG2 3.94Å; F295-V299 WeakPolarHBondContact O-CG2 3.15Å; F295-V299 PolarHBondContact O-N 2.89Å; F295-I336 HydrophobicContact CE1-CD1 4.18Å; F295-I336 HydrophobicContact CZ-CD1 3.55Å; F295-I338 HydrophobicContact CE1-CD1 4.44Å; F295-L340 HydrophobicContact CD1-CD2 4.02Å; F295-L340 HydrophobicContact CE1-CD2 3.97Å
296M95.8Very high96.1Very high68 Ų6869.7 Ų69.734%0.33538%0.378SS..Hα-helixtrans-60.2-42.1179.2-79.2-169.7-71.400111.7S292 E293 Y298 V299 K300 L340S292-M296 WeakPolarHBondContact O-CB 3.49Å; S292-M296 VanDerWaalsContact O-CG 3.26Å; S292-M296 WeakPolarHBondContact O-CG 3.4Å; S292-M296 PolarHBondContact O-N 3.21Å; E293-M296 PolarHBondContact O-N 3.01Å; M296-Y298 VanDerWaalsContact C-N 3.33Å; M296-Y298 PolarHBondContact O-N 3.44Å; M296-V299 PolarHBondContact O-N 2.75Å; M296-K300 VanDerWaalsContact O-CB 3.3Å; M296-K300 WeakPolarHBondContact O-CB 3.4Å; M296-K300 VanDerWaalsContact O-CG 3.26Å; M296-K300 WeakPolarHBondContact O-CG 3.46Å; M296-K300 PolarHBondContact O-N 2.95Å; M296-L340 HydrophobicContact CE-CD1 4.19Å; M296-L340 HydrophobicContact CG-CD1 4.23Å; M296-L340 HydrophobicContact CG-CD2 3.93Å; M296-L340 HydrophobicContact SD-CD1 4.04Å; M296-L340 HydrophobicContact SD-CD2 4.43Å
297K96Very high96.1Very high152 Ų15273.6 Ų73.666%0.66138%0.379SS*.Hα-helixtrans-61-42.7177-175.1177.2-179.71780111.3E293 D294 F295 S301E293-K297 VanDerWaalsContact O-CB 3.31Å; E293-K297 WeakPolarHBondContact O-CB 3.37Å; E293-K297 PolarHBondContact O-N 3.43Å; D294-K297 PolarHBondContact O-N 3.37Å; F295-K297 VanDerWaalsContact C-N 3.32Å; F295-K297 PolarHBondContact O-N 3.38Å; K297-S301 PolarHBondContact O-N 2.89Å
298Y97.5Very high96.2Very high34 Ų3468.3 Ų68.313%0.13336%0.356CS..Hα-helixtrans-63.3-49.7174.7174.2-107.8000112.1A284 D285 K287 F289 D294 F295 M296 K300 S301 Q302 M308A284-Y298 HydrophobicContact CB-CD1 4.05Å; A284-Y298 HydrophobicContact CB-CE1 3.85Å; D285-Y298 WeakPolarHBondContact CB-OH 3.47Å; D285-Y298 PolarHBondContact OD2-OH 2.77Å; K287-Y298 HydrophobicContact CD-CD2 4.29Å; K287-Y298 HydrophobicContact CD-CE2 3.79Å; K287-Y298 VanDerWaalsContact NZ-CE2 3.34Å; F289-Y298 VanDerWaalsContact CE1-CB 3.47Å; F289-Y298 AromaticContact CE1-CD1 3.95Å; F289-Y298 HydrophobicContact CE1-CD1 3.95Å; F289-Y298 AromaticContact CE1-CG 3.78Å; F289-Y298 HydrophobicContact CE1-CG 3.78Å; F289-Y298 AromaticContact CZ-CD1 3.44Å; F289-Y298 HydrophobicContact CZ-CD1 3.44Å; F289-Y298 VanDerWaalsContact CZ-CD1 3.44Å; F289-Y298 HydrophobicContact CZ-CE1 4.18Å; F289-Y298 AromaticContact CZ-CG 3.77Å; F289-Y298 HydrophobicContact CZ-CG 3.77Å; D294-Y298 PolarHBondContact O-N 2.94Å; F295-Y298 WeakPolarHBondContact O-CB 3.18Å; F295-Y298 PolarHBondContact O-N 2.63Å; M296-Y298 VanDerWaalsContact C-N 3.33Å; M296-Y298 PolarHBondContact O-N 3.44Å; Y298-K300 PolarHBondContact O-N 3.09Å; Y298-S301 WeakPolarHBondContact O-CB 3.33Å; Y298-S301 PolarHBondContact O-N 2.86Å; Y298-S301 VanDerWaalsContact O-N 3.12Å; Y298-S301 PolarHBondContact O-OG 2.92Å; Y298-Q302 VanDerWaalsContact CE2-NE2 3.29Å; Y298-Q302 PolarHBondContact O-NE2 2.96Å; Y298-M308 HydrophobicContact CD1-CE 4.28Å; Y298-M308 HydrophobicContact CE1-CE 3.75Å
299V97Very high96.3Very high8 Ų867.2 Ų67.25%0.04834%0.343CS..Hα-helixtrans-60.8-45.2-179.4175.50000111.1F295 M296 S301 Q302 M308 L325 I336F295-V299 HydrophobicContact CD1-CG2 4.27Å; F295-V299 HydrophobicContact CD2-CG2 4.49Å; F295-V299 HydrophobicContact CE1-CG2 3.96Å; F295-V299 HydrophobicContact CE2-CG2 4.21Å; F295-V299 HydrophobicContact CZ-CG2 3.94Å; F295-V299 WeakPolarHBondContact O-CG2 3.15Å; F295-V299 PolarHBondContact O-N 2.89Å; M296-V299 PolarHBondContact O-N 2.75Å; V299-S301 PolarHBondContact O-N 2.92Å; V299-Q302 WeakPolarHBondContact O-CB 3.3Å; V299-Q302 PolarHBondContact O-N 3.43Å; V299-Q302 VanDerWaalsContact O-N 3.13Å; V299-M308 HydrophobicContact CG2-CE 4.25Å; V299-M308 HydrophobicContact CG2-SD 3.95Å; V299-L325 HydrophobicContact CG1-CD2 4.14Å; V299-I336 HydrophobicContact CG1-CG1 4.31Å; V299-I336 HydrophobicContact CG2-CD1 4.27Å
300K95.2Very high96.3Very high75 Ų7565.7 Ų65.733%0.32634%0.336SS..Hα-helixtrans-66.7-18.1179.1-71.4-180-177.4-160.40113.4M296 Y298 Q302 D331 K333M296-K300 VanDerWaalsContact O-CB 3.3Å; M296-K300 WeakPolarHBondContact O-CB 3.4Å; M296-K300 VanDerWaalsContact O-CG 3.26Å; M296-K300 WeakPolarHBondContact O-CG 3.46Å; M296-K300 PolarHBondContact O-N 2.95Å; Y298-K300 PolarHBondContact O-N 3.09Å; K300-Q302 VanDerWaalsContact C-N 3.32Å; K300-D331 WeakPolarHBondContact CE-OD2 3.23Å; K300-D331 IonicContact NZ-OD2 2.7Å; K300-D331 PolarHBondContact NZ-OD2 3.36Å; K300-K333 HydrophobicContact CB-CD 4.4Å; K300-K333 HydrophobicContact CD-CD 4Å; K300-K333 HydrophobicContact CG-CB 4.31Å; K300-K333 HydrophobicContact CG-CD 4.34Å
301S95.9Very high96.6Very high81 Ų8160.8 Ų60.857%0.56631%0.306SS*.THydrogen-bonded Turntrans-80.3-10.4175.576.30000114.2K297 Y298 V299K297-S301 PolarHBondContact O-N 2.89Å; Y298-S301 WeakPolarHBondContact O-CB 3.33Å; Y298-S301 PolarHBondContact O-N 2.86Å; Y298-S301 VanDerWaalsContact O-N 3.12Å; Y298-S301 PolarHBondContact O-OG 2.92Å; V299-S301 PolarHBondContact O-N 2.92Å
302Q97Very high96.7Very high39 Ų3960.4 Ų60.418%0.18230%0.301CS..SBendtrans-81.3-168.4178.4-56-49.9-51.100112.1Y298 V299 K300 M308 L325 P334Y298-Q302 VanDerWaalsContact CE2-NE2 3.29Å; Y298-Q302 PolarHBondContact O-NE2 2.96Å; V299-Q302 WeakPolarHBondContact O-CB 3.3Å; V299-Q302 PolarHBondContact O-N 3.43Å; V299-Q302 VanDerWaalsContact O-N 3.13Å; K300-Q302 VanDerWaalsContact C-N 3.32Å; Q302-M308 HydrophobicContact CG-CE 3.62Å; Q302-L325 HydrophobicContact CB-CD1 3.49Å; Q302-L325 VanDerWaalsContact CB-CD1 3.49Å; Q302-L325 HydrophobicContact CG-CD1 4.12Å; Q302-P334 WeakPolarHBondContact O-CG 3.35Å
303K96.4Very high96.9Very high160 Ų16061.4 Ų61.470%0.69631%0.307SS*.  trans-111.7143.5176.4-63.4178.6-176.9176.50111.9G305 Q306K303-G305 PolarHBondContact O-N 2.58Å; K303-Q306 HydrophobicContact CB-CB 4.29Å; K303-Q306 VanDerWaalsContact N-OE1 3.14Å; K303-Q306 WeakPolarHBondContact O-CB 3.24Å; K303-Q306 PolarHBondContact O-N 2.99Å
304V96.5Very high96.8Very high77 Ų7756.8 Ų56.847%0.46729%0.285SS..THydrogen-bonded Turntrans-56.3133.1168.3176.60000108.7Q306 K327 P334V304-Q306 VanDerWaalsContact C-N 3.29Å; V304-Q306 PolarHBondContact O-N 3.4Å; V304-K327 HydrophobicContact CG1-CB 4.12Å; V304-K327 HydrophobicContact CG2-CB 4.09Å; V304-K327 HydrophobicContact CG2-CG 4.41Å; V304-P334 HydrophobicContact CG2-CB 4.04Å; V304-P334 HydrophobicContact CG2-CG 3.96Å
305G96.1Very high96.4Very high38 Ų3860.6 Ų60.639%0.39231%0.306SS..THydrogen-bonded Turntrans84.5-9.8-177.600000115.3K303 K324 L325K303-G305 PolarHBondContact O-N 2.58Å; G305-K324 WeakPolarHBondContact O-CG 3.2Å; G305-L325 PolarHBondContact N-O 2.98Å
306Q97Very high96Very high67 Ų6763.8 Ų63.831%0.31334%0.34SS..  trans-67.6136.6172.1-175.3178.5-2600109.9K303 V304 K324 L325K303-Q306 HydrophobicContact CB-CB 4.29Å; K303-Q306 VanDerWaalsContact N-OE1 3.14Å; K303-Q306 WeakPolarHBondContact O-CB 3.24Å; K303-Q306 PolarHBondContact O-N 2.99Å; V304-Q306 VanDerWaalsContact C-N 3.29Å; V304-Q306 PolarHBondContact O-N 3.4Å; Q306-K324 CarbonylContact O-C 3.52Å; Q306-K324 WeakPolarHBondContact O-CA 3.33Å; Q306-L325 PolarHBondContact O-N 2.79Å
307K97.7Very high96Very high137 Ų13766.9 Ų66.960%0.59635%0.353SS*.EExtended strand (participates in β ladder)trans-72.4133.6171.9-71.1-171.1175.4-168.40109.7T322 E323 K324K307-T322 HydrophobicContact CB-CG2 4.19Å; K307-T322 HydrophobicContact CD-CG2 4.37Å; K307-E323 CarbonylContact C-O 3.59Å; K307-E323 WeakPolarHBondContact CA-O 3.4Å; K307-K324 HydrophobicContact CG-CG 3.97Å
308M97.8Very high96.1Very high1 Ų164.6 Ų64.61%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-122.6131.5173.7175.9165.7-75.900108.9F271 A284 D285 Y298 V299 Q302 V310 T322 E323 L325 I336F271-M308 HydrophobicContact CZ-CB 4.49Å; A284-M308 HydrophobicContact CB-CG 4.47Å; A284-M308 HydrophobicContact CB-SD 3.98Å; D285-M308 WeakPolarHBondContact OD1-CA 3.43Å; Y298-M308 HydrophobicContact CD1-CE 4.28Å; Y298-M308 HydrophobicContact CE1-CE 3.75Å; V299-M308 HydrophobicContact CG2-CE 4.25Å; V299-M308 HydrophobicContact CG2-SD 3.95Å; Q302-M308 HydrophobicContact CG-CE 3.62Å; M308-V310 HydrophobicContact CG-CG2 4.07Å; M308-T322 WeakPolarHBondContact O-CA 3.32Å; M308-E323 PolarHBondContact N-O 3.45Å; M308-E323 PolarHBondContact O-N 3.04Å; M308-L325 HydrophobicContact CB-CD2 3.96Å; M308-L325 HydrophobicContact CB-CG 4.2Å; M308-L325 HydrophobicContact CE-CD1 4.14Å; M308-L325 HydrophobicContact CE-CD2 4.43Å; M308-L325 HydrophobicContact SD-CD2 3.96Å; M308-I336 HydrophobicContact SD-CD1 4.18Å; M308-I336 HydrophobicContact SD-CG1 4.33Å
309K98.3Very high96.1Very high78 Ų7866.4 Ų66.434%0.33936%0.361SS..EExtended strand (participates in β ladder)trans-88.9119.4172.2-178.5176.5180-173.80109A284 D285 E320 A321 T322A284-K309 CarbonylContact C-O 3.59Å; A284-K309 WeakPolarHBondContact CA-O 3.38Å; D285-K309 PolarHBondContact N-O 3.13Å; D285-K309 PolarHBondContact OD1-N 2.86Å; K309-E320 WeakPolarHBondContact CE-OE1 3.25Å; K309-E320 WeakPolarHBondContact CE-OE2 3.21Å; K309-E320 IonicContact NZ-OE1 2.69Å; K309-E320 PolarHBondContact NZ-OE1 2.85Å; K309-E320 IonicContact NZ-OE2 2.7Å; K309-E320 PolarHBondContact NZ-OE2 3.23Å; K309-A321 CarbonylContact C-O 3.59Å; K309-A321 WeakPolarHBondContact CA-O 3.31Å; K309-T322 HydrophobicContact CB-CG2 4.47Å
310V98.1Very high96.1Very high0 Ų071.2 Ų71.20%038%0.383CS..EExtended strand (participates in β ladder)trans-109.2126.9177.8-1780000108.7F271 I275 V281 M308 Y312 E320 A321 I336F271-V310 HydrophobicContact CD1-CG2 4.39Å; F271-V310 HydrophobicContact CE1-CB 4.03Å; F271-V310 HydrophobicContact CE1-CG2 3.5Å; F271-V310 HydrophobicContact CZ-CG2 3.75Å; I275-V310 HydrophobicContact CD1-CB 4.24Å; I275-V310 HydrophobicContact CD1-CG1 3.85Å; V281-V310 HydrophobicContact CB-CG1 4.26Å; V281-V310 HydrophobicContact CG1-CG1 3.52Å; V281-V310 HydrophobicContact CG2-CG1 3.79Å; M308-V310 HydrophobicContact CG-CG2 4.07Å; V310-Y312 HydrophobicContact CG1-CD1 4.33Å; V310-E320 CarbonylContact O-C 3.23Å; V310-E320 VanDerWaalsContact O-CA 3.29Å; V310-E320 WeakPolarHBondContact O-CA 3.15Å; V310-A321 PolarHBondContact N-O 2.72Å; V310-A321 PolarHBondContact O-N 2.95Å; V310-I336 HydrophobicContact CG2-CD1 3.81Å
311T98.4Very high96.2Very high9 Ų968 Ų686%0.05537%0.37CS..EExtended strand (participates in β ladder)trans-102.3128.3169.5-51.50000108T282 K283 T318 K319 E320T282-T311 PolarHBondContact N-O 3.14Å; T282-T311 PolarHBondContact OG1-O 2.99Å; K283-T311 PolarHBondContact N-O 3.42Å; K283-T311 PolarHBondContact O-N 2.95Å; T311-T318 HydrophobicContact CG2-CG2 3.65Å; T311-K319 WeakPolarHBondContact CA-O 3.4Å; T311-E320 HydrophobicContact CG2-CG 4.17Å; T311-E320 PolarHBondContact OG1-OE1 3.18Å
312Y98.1Very high96.3Very high14 Ų1467.3 Ų67.36%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-142.3157.1-176.259.9-81.6000110.7K274 I275 D279 T280 V310 H314 K319 A321K274-Y312 PolarHBondContact O-OH 3.45Å; I275-Y312 HydrophobicContact CD1-CD1 4.47Å; I275-Y312 HydrophobicContact CG1-CD1 4.09Å; I275-Y312 HydrophobicContact CG1-CE1 4.04Å; I275-Y312 HydrophobicContact CG1-CG 4.48Å; D279-Y312 HydrophobicContact CB-CD2 4.03Å; D279-Y312 WeakPolarHBondContact OD2-CD2 3.29Å; D279-Y312 WeakPolarHBondContact OD2-CE2 3.45Å; T280-Y312 CarbonylContact O-C 3.55Å; T280-Y312 WeakPolarHBondContact O-CA 3.4Å; T280-Y312 WeakPolarHBondContact O-CB 3.42Å; V310-Y312 HydrophobicContact CG1-CD1 4.33Å; Y312-H314 HydrophobicContact CD2-CB 4.32Å; Y312-H314 HydrophobicContact CE2-CB 4.17Å; Y312-K319 HydrophobicContact CD2-CB 4.26Å; Y312-K319 HydrophobicContact CE1-CB 4.04Å; Y312-K319 HydrophobicContact CE2-CB 3.66Å; Y312-K319 HydrophobicContact CE2-CD 4.12Å; Y312-K319 HydrophobicContact CE2-CG 4.43Å; Y312-K319 PolarHBondContact N-O 2.88Å; Y312-K319 PolarHBondContact O-N 3.27Å; Y312-A321 HydrophobicContact CE1-CB 3.93Å
313T96.9Very high96.4Very high39 Ų3968.6 Ų68.624%0.23937%0.368CS..EExtended strand (participates in β ladder)trans-101130.617158.60000109.7D279 T280 T282 E317D279-T313 WeakPolarHBondContact CA-O 3.31Å; T280-T313 WeakPolarHBondContact CB-OG1 3.19Å; T280-T313 PolarHBondContact N-O 2.96Å; T280-T313 VanDerWaalsContact N-O 3.08Å; T280-T313 PolarHBondContact O-N 3.27Å; T282-T313 HydrophobicContact CG2-CG2 4.21Å; T313-E317 CarbonylContact C-O 3.55Å; T313-E317 VanDerWaalsContact CA-O 3.27Å; T313-E317 WeakPolarHBondContact CA-O 3.39Å
314H94.3Very high96.4Very high47 Ų4766.1 Ų66.122%0.21836%0.358CS..EExtended strand (participates in β ladder)trans-125.8118.6176.1-176.289.7000107.7D279 Y312 G316 E317 K319D279-H314 WeakPolarHBondContact OD1-CA 3.49Å; D279-H314 VanDerWaalsContact OD1-CB 3.26Å; D279-H314 WeakPolarHBondContact OD1-CB 3.31Å; D279-H314 IonicContact OD1-CE1 2.68Å; D279-H314 IonicContact OD1-CG 3.8Å; D279-H314 VanDerWaalsContact OD1-CG 3.31Å; D279-H314 IonicContact OD1-ND1 2.89Å; D279-H314 PolarHBondContact OD1-ND1 3.13Å; D279-H314 IonicContact OD2-ND1 3.82Å; Y312-H314 HydrophobicContact CD2-CB 4.32Å; Y312-H314 HydrophobicContact CE2-CB 4.17Å; H314-G316 PolarHBondContact O-N 2.97Å; H314-G316 VanDerWaalsContact O-N 3.15Å; H314-E317 PolarHBondContact N-O 3.45Å; H314-E317 PolarHBondContact O-N 2.83Å; H314-K319 HydrophobicContact CB-CD 3.93Å; H314-K319 PolarHBondContact CD2-NZ 3.22Å
315D87.4Confident96.5Very high145 Ų14562.5 Ų62.578%0.77534%0.336SS*.THydrogen-bonded Turntrans5037.5-174.6-60.6-31.1000113.6E317D315-E317 VanDerWaalsContact C-N 3.26Å; D315-E317 PolarHBondContact O-N 3.41Å
316G88.7Confident96.6Very high71 Ų7161.6 Ų61.673%0.73232%0.322SS*.THydrogen-bonded Turntrans81.7-10.8-178.800000115.3H314H314-G316 PolarHBondContact O-N 2.97Å; H314-G316 VanDerWaalsContact O-N 3.15Å
317E95.8Very high96.5Very high132 Ų13264.3 Ų64.362%0.61733%0.332SS*.EExtended strand (participates in β ladder)trans-88.2134.2176.3-63.8-170.7162.100111.7T313 H314 D315T313-E317 CarbonylContact C-O 3.55Å; T313-E317 VanDerWaalsContact CA-O 3.27Å; T313-E317 WeakPolarHBondContact CA-O 3.39Å; H314-E317 PolarHBondContact N-O 3.45Å; H314-E317 PolarHBondContact O-N 2.83Å; D315-E317 VanDerWaalsContact C-N 3.26Å; D315-E317 PolarHBondContact O-N 3.41Å
318T97.3Very high96.3Very high104 Ų10459 Ų5964%0.63831%0.311SS*.EExtended strand (participates in β ladder)trans-77.5124.4174.5-61.10000110.7T311T311-T318 HydrophobicContact CG2-CG2 3.65Å
319K97.8Very high95.8Very high73 Ų7361.8 Ų61.832%0.31733%0.329SS..EExtended strand (participates in β ladder)trans-126.1164.2178-63.3-176.9-174.1173.20111T311 Y312 H314T311-K319 WeakPolarHBondContact CA-O 3.4Å; Y312-K319 HydrophobicContact CD2-CB 4.26Å; Y312-K319 HydrophobicContact CE1-CB 4.04Å; Y312-K319 HydrophobicContact CE2-CB 3.66Å; Y312-K319 HydrophobicContact CE2-CD 4.12Å; Y312-K319 HydrophobicContact CE2-CG 4.43Å; Y312-K319 PolarHBondContact N-O 2.88Å; Y312-K319 PolarHBondContact O-N 3.27Å; H314-K319 HydrophobicContact CB-CD 3.93Å; H314-K319 PolarHBondContact CD2-NZ 3.22Å
320E97.8Very high95.2Very high109 Ų10963.7 Ų63.751%0.50935%0.347SS..EExtended strand (participates in β ladder)trans-135.4141.3177.7-59.8-171.7134.400111.2K309 V310 T311K309-E320 WeakPolarHBondContact CE-OE1 3.25Å; K309-E320 WeakPolarHBondContact CE-OE2 3.21Å; K309-E320 IonicContact NZ-OE1 2.69Å; K309-E320 PolarHBondContact NZ-OE1 2.85Å; K309-E320 IonicContact NZ-OE2 2.7Å; K309-E320 PolarHBondContact NZ-OE2 3.23Å; V310-E320 CarbonylContact O-C 3.23Å; V310-E320 VanDerWaalsContact O-CA 3.29Å; V310-E320 WeakPolarHBondContact O-CA 3.15Å; T311-E320 HydrophobicContact CG2-CG 4.17Å; T311-E320 PolarHBondContact OG1-OE1 3.18Å
321A97.7Very high94.8Very high8 Ų866.3 Ų66.37%0.06636%0.361CS..EExtended strand (participates in β ladder)trans-133.1140.917300000109.7F271 K274 K309 V310 Y312F271-A321 HydrophobicContact CD1-CB 4.12Å; F271-A321 HydrophobicContact CE1-CB 4.22Å; K274-A321 HydrophobicContact CB-CB 3.98Å; K309-A321 CarbonylContact C-O 3.59Å; K309-A321 WeakPolarHBondContact CA-O 3.31Å; V310-A321 PolarHBondContact N-O 2.72Å; V310-A321 PolarHBondContact O-N 2.95Å; Y312-A321 HydrophobicContact CE1-CB 3.93Å
322T98.1Very high94.4Very high66 Ų6672 Ų7241%0.40539%0.385SS..EExtended strand (participates in β ladder)trans-127.3101.7177.7-590000110.2K307 M308 K309K307-T322 HydrophobicContact CB-CG2 4.19Å; K307-T322 HydrophobicContact CD-CG2 4.37Å; M308-T322 WeakPolarHBondContact O-CA 3.32Å; K309-T322 HydrophobicContact CB-CG2 4.47Å
323E98Very high94.2Very high65 Ų6576.3 Ų76.330%0.30440%0.404SS..EExtended strand (participates in β ladder)trans-135.2164.9-174.3-69.2-62.9165.200112.3N270 F271 K307 M308N270-E323 HydrophobicContact CB-CB 4.03Å; N270-E323 WeakPolarHBondContact O-CG 3.28Å; F271-E323 HydrophobicContact CD1-CB 4.05Å; F271-E323 HydrophobicContact CD1-CG 4.37Å; F271-E323 HydrophobicContact CD2-CB 3.87Å; F271-E323 HydrophobicContact CE1-CB 3.86Å; F271-E323 HydrophobicContact CE1-CG 4.46Å; F271-E323 HydrophobicContact CE2-CB 3.69Å; F271-E323 HydrophobicContact CG-CB 4.06Å; F271-E323 HydrophobicContact CZ-CB 3.69Å; K307-E323 CarbonylContact C-O 3.59Å; K307-E323 WeakPolarHBondContact CA-O 3.4Å; M308-E323 PolarHBondContact N-O 3.45Å; M308-E323 PolarHBondContact O-N 3.04Å
324K97.7Very high94.1Very high108 Ų10875.2 Ų75.247%0.4740%0.398SS..EExtended strand (participates in β ladder)trans-77135.2-179.2-65.4-179.5-176.5172.50111N270 G305 Q306 K307N270-K324 PolarHBondContact ND2-O 3.39Å; G305-K324 WeakPolarHBondContact O-CG 3.2Å; Q306-K324 CarbonylContact O-C 3.52Å; Q306-K324 WeakPolarHBondContact O-CA 3.33Å; K307-K324 HydrophobicContact CG-CG 3.97Å
325L97.9Very high94.2Very high2 Ų273.1 Ų73.11%0.0139%0.389CS..PPolyproline II helixtrans-63.9136.6170.8-62.4178.6000111V299 Q302 G305 Q306 M308 P334 G335 I336V299-L325 HydrophobicContact CG1-CD2 4.14Å; Q302-L325 HydrophobicContact CB-CD1 3.49Å; Q302-L325 VanDerWaalsContact CB-CD1 3.49Å; Q302-L325 HydrophobicContact CG-CD1 4.12Å; G305-L325 PolarHBondContact N-O 2.98Å; Q306-L325 PolarHBondContact O-N 2.79Å; M308-L325 HydrophobicContact CB-CD2 3.96Å; M308-L325 HydrophobicContact CB-CG 4.2Å; M308-L325 HydrophobicContact CE-CD1 4.14Å; M308-L325 HydrophobicContact CE-CD2 4.43Å; M308-L325 HydrophobicContact SD-CD2 3.96Å; L325-P334 HydrophobicContact CB-CB 4.38Å; L325-P334 HydrophobicContact CD1-CB 4.13Å; L325-G335 CarbonylContact C-O 3.48Å; L325-G335 WeakPolarHBondContact CA-O 3.2Å; L325-I336 HydrophobicContact CD2-CG1 3.83Å
326I97Very high94.7Very high18 Ų1866.4 Ų66.49%0.09235%0.353CS..EExtended strand (participates in β ladder)trans-92167175.963.2160.7000110.8N268 N270 L328 P334 G335N268-I326 WeakPolarHBondContact OD1-CD1 3.31Å; N270-I326 WeakPolarHBondContact ND2-CG2 3.35Å; I326-L328 HydrophobicContact CD1-CD2 4.35Å; I326-L328 HydrophobicContact CG1-CD2 4.35Å; I326-P334 CarbonylContact O-C 3.57Å; I326-P334 WeakPolarHBondContact O-CA 3.47Å; I326-G335 WeakPolarHBondContact CG1-O 3.46Å; I326-G335 PolarHBondContact N-O 2.89Å; I326-G335 PolarHBondContact O-N 2.83Å
327K96.5Very high95Very high124 Ų12463.1 Ų63.154%0.53932%0.319SS..EExtended strand (participates in β ladder)trans-85.3112.5166.6-171.5174.4-176.2176.30108.1V304 K332V304-K327 HydrophobicContact CG1-CB 4.12Å; V304-K327 HydrophobicContact CG2-CB 4.09Å; V304-K327 HydrophobicContact CG2-CG 4.41Å; K327-K332 HydrophobicContact CG-CB 4.44Å; K327-K332 WeakPolarHBondContact CG-O 3.49Å
328L93.1Very high95Very high26 Ų2658 Ų5814%0.13630%0.296CS..  trans-62.8138.6-177.2-67.1177.2000111.2I326 T330 K332 K333I326-L328 HydrophobicContact CD1-CD2 4.35Å; I326-L328 HydrophobicContact CG1-CD2 4.35Å; L328-T330 VanDerWaalsContact C-N 3.27Å; L328-T330 PolarHBondContact O-N 3.45Å; L328-K332 VanDerWaalsContact O-CA 3.25Å; L328-K332 WeakPolarHBondContact O-CA 3.31Å; L328-K332 PolarHBondContact O-N 2.8Å; L328-K332 VanDerWaalsContact O-N 3.13Å; L328-K333 PolarHBondContact N-O 3.32Å
329P86.8Confident94.7Very high59 Ų5956.9 Ų56.938%0.38329%0.289SS..THydrogen-bonded Turntrans-61.2-35.3178-24.734.6000113.5K332P329-K332 PolarHBondContact O-NZ 2.98Å
330T85Confident94.5Very high119 Ų11955.1 Ų55.173%0.7328%0.282SS*.THydrogen-bonded Turntrans-69.1-59.9-171.1510000113.5L328L328-T330 VanDerWaalsContact C-N 3.27Å; L328-T330 PolarHBondContact O-N 3.45Å
331D89.5Confident94.3Very high54 Ų5452.3 Ų52.329%0.28927%0.273SS..THydrogen-bonded Turntrans-118.64.8-173.4683.8000113.8K300 K333K300-D331 WeakPolarHBondContact CE-OD2 3.23Å; K300-D331 IonicContact NZ-OD2 2.7Å; K300-D331 PolarHBondContact NZ-OD2 3.36Å; D331-K333 HydrophobicContact CB-CG 4.47Å; D331-K333 PolarHBondContact O-N 2.95Å; D331-K333 VanDerWaalsContact O-N 3.11Å; D331-K333 VanDerWaalsContact OD1-CB 3.26Å; D331-K333 WeakPolarHBondContact OD1-CB 3.48Å; D331-K333 PolarHBondContact OD1-N 3.43Å; D331-K333 WeakPolarHBondContact OD2-CD 2.89Å
332K90.3Very high94.1Very high128 Ų12854.4 Ų54.456%0.55728%0.283SS*.SBendtrans60.714.2-179.1-55-46.4-176.1-157.60114.2K327 L328 P329K327-K332 HydrophobicContact CG-CB 4.44Å; K327-K332 WeakPolarHBondContact CG-O 3.49Å; L328-K332 VanDerWaalsContact O-CA 3.25Å; L328-K332 WeakPolarHBondContact O-CA 3.31Å; L328-K332 PolarHBondContact O-N 2.8Å; L328-K332 VanDerWaalsContact O-N 3.13Å; P329-K332 PolarHBondContact O-NZ 2.98Å
333K93.5Very high93.9Very high105 Ų10552.3 Ų52.346%0.45727%0.268SS..  trans-85.2163.1175.2-64.8-175-179.6174.20111.5K300 L328 D331K300-K333 HydrophobicContact CB-CD 4.4Å; K300-K333 HydrophobicContact CD-CD 4Å; K300-K333 HydrophobicContact CG-CB 4.31Å; K300-K333 HydrophobicContact CG-CD 4.34Å; L328-K333 PolarHBondContact N-O 3.32Å; D331-K333 HydrophobicContact CB-CG 4.47Å; D331-K333 PolarHBondContact O-N 2.95Å; D331-K333 VanDerWaalsContact O-N 3.11Å; D331-K333 VanDerWaalsContact OD1-CB 3.26Å; D331-K333 WeakPolarHBondContact OD1-CB 3.48Å; D331-K333 PolarHBondContact OD1-N 3.43Å; D331-K333 WeakPolarHBondContact OD2-CD 2.89Å
334P96.2Very high93.6Very high16 Ų1650.4 Ų50.410%0.10426%0.262CS..EExtended strand (participates in β ladder)trans-61.2139.6170.8-10.619.9000111.6Q302 V304 L325 I326Q302-P334 WeakPolarHBondContact O-CG 3.35Å; V304-P334 HydrophobicContact CG2-CB 4.04Å; V304-P334 HydrophobicContact CG2-CG 3.96Å; L325-P334 HydrophobicContact CB-CB 4.38Å; L325-P334 HydrophobicContact CD1-CB 4.13Å; I326-P334 CarbonylContact O-C 3.57Å; I326-P334 WeakPolarHBondContact O-CA 3.47Å
335G96.8Very high93.3Very high3 Ų349.1 Ų49.13%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-160.9165.3176.400000113.5L325 I326 G337L325-G335 CarbonylContact C-O 3.48Å; L325-G335 WeakPolarHBondContact CA-O 3.2Å; I326-G335 WeakPolarHBondContact CG1-O 3.46Å; I326-G335 PolarHBondContact N-O 2.89Å; I326-G335 PolarHBondContact O-N 2.83Å; G335-G337 VanDerWaalsContact C-N 3.35Å
336I97Very high93Very high5 Ų550.3 Ų50.33%0.02626%0.263CS..  trans-73.4-32.6173.2-65.2169.4000109.8S269 F271 I275 F295 V299 M308 V310 L325 I338S269-I336 WeakPolarHBondContact CB-O 3.31Å; S269-I336 PolarHBondContact OG-O 2.98Å; F271-I336 HydrophobicContact CB-CG2 4.06Å; F271-I336 HydrophobicContact CD1-CG2 4.34Å; F271-I336 HydrophobicContact CD2-CB 4.26Å; F271-I336 HydrophobicContact CD2-CG2 3.51Å; F271-I336 HydrophobicContact CE2-CB 4.34Å; F271-I336 HydrophobicContact CE2-CG1 4.14Å; F271-I336 HydrophobicContact CE2-CG2 3.95Å; F271-I336 HydrophobicContact CG-CG2 3.72Å; F271-I336 HydrophobicContact CZ-CG1 4.49Å; I275-I336 HydrophobicContact CD1-CG2 4.4Å; F295-I336 HydrophobicContact CE1-CD1 4.18Å; F295-I336 HydrophobicContact CZ-CD1 3.55Å; V299-I336 HydrophobicContact CG1-CG1 4.31Å; V299-I336 HydrophobicContact CG2-CD1 4.27Å; M308-I336 HydrophobicContact SD-CD1 4.18Å; M308-I336 HydrophobicContact SD-CG1 4.33Å; V310-I336 HydrophobicContact CG2-CD1 3.81Å; L325-I336 HydrophobicContact CD2-CG1 3.83Å; I336-I338 HydrophobicContact CB-CG1 4.29Å; I336-I338 HydrophobicContact CG2-CD1 4.39Å; I336-I338 HydrophobicContact CG2-CG1 4.22Å; I336-I338 HydrophobicContact CG2-CG2 3.9Å
337G95.5Very high92.8Very high2 Ų252.8 Ų52.82%0.02128%0.277CS..  trans87.649.3-174.400000111.6E266 G335E266-G337 WeakPolarHBondContact CB-O 3.39Å; E266-G337 PolarHBondContact N-O 3.28Å; G335-G337 VanDerWaalsContact C-N 3.35Å
338I94.7Very high92.7Very high25 Ų2548.1 Ų48.113%0.12826%0.26CS..EExtended strand (participates in β ladder)trans-127.8144.8176.156.5170.9000109.9V262 G264 V265 F295 I336 L340V262-I338 HydrophobicContact CG1-CB 4.28Å; V262-I338 HydrophobicContact CG1-CG2 4.15Å; V262-I338 HydrophobicContact CG2-CD1 4.12Å; G264-I338 CarbonylContact O-C 3.56Å; G264-I338 WeakPolarHBondContact O-CA 3.16Å; G264-I338 WeakPolarHBondContact O-CB 3.33Å; V265-I338 HydrophobicContact CG1-CG2 4.3Å; V265-I338 HydrophobicContact CG2-CG2 4.12Å; F295-I338 HydrophobicContact CE1-CD1 4.44Å; I336-I338 HydrophobicContact CB-CG1 4.29Å; I336-I338 HydrophobicContact CG2-CD1 4.39Å; I336-I338 HydrophobicContact CG2-CG1 4.22Å; I336-I338 HydrophobicContact CG2-CG2 3.9Å; I338-L340 HydrophobicContact CD1-CB 4.43Å; I338-L340 HydrophobicContact CD1-CD2 4.14Å; I338-L340 HydrophobicContact CG1-CD2 4.2Å
339T91.4Very high92.7Very high80 Ų8054.7 Ų54.749%0.49129%0.29SS..EExtended strand (participates in β ladder)trans-86.9137161.8-55.70000107.4L263 G264L263-T339 HydrophobicContact CB-CG2 4.03Å; L263-T339 HydrophobicContact CD1-CG2 4.42Å; L263-T339 PolarHBondContact N-O 3.03Å; G264-T339 PolarHBondContact N-O 2.93Å; G264-T339 PolarHBondContact O-N 3.25Å
340L94.1Very high93.1Very high35 Ų3553.3 Ų53.318%0.18328%0.278CS..EExtended strand (participates in β ladder)trans-146.9161.9-165.762.974.3000113.7V260 Y261 F295 M296 I338V260-L340 HydrophobicContact CG1-CB 3.5Å; V260-L340 HydrophobicContact CG1-CD1 4.13Å; V260-L340 HydrophobicContact CG1-CD2 3.73Å; V260-L340 HydrophobicContact CG1-CG 3.98Å; Y261-L340 WeakPolarHBondContact O-CA 3.24Å; Y261-L340 WeakPolarHBondContact O-CB 3.2Å; F295-L340 HydrophobicContact CD1-CD2 4.02Å; F295-L340 HydrophobicContact CE1-CD2 3.97Å; M296-L340 HydrophobicContact CE-CD1 4.19Å; M296-L340 HydrophobicContact CG-CD1 4.23Å; M296-L340 HydrophobicContact CG-CD2 3.93Å; M296-L340 HydrophobicContact SD-CD1 4.04Å; M296-L340 HydrophobicContact SD-CD2 4.43Å; I338-L340 HydrophobicContact CD1-CB 4.43Å; I338-L340 HydrophobicContact CD1-CD2 4.14Å; I338-L340 HydrophobicContact CG1-CD2 4.2Å
341T92.8Very high93.6Very high50 Ų5053.8 Ų53.831%0.30727%0.27SS..EExtended strand (participates in β ladder)trans-151.6172.2171.8-171.80000110.4F232 V260 Y261 L263F232-T341 HydrophobicContact CD1-CG2 4.27Å; F232-T341 HydrophobicContact CE1-CG2 3.34Å; F232-T341 HydrophobicContact CZ-CG2 3.89Å; V260-T341 CarbonylContact C-O 3.43Å; V260-T341 WeakPolarHBondContact CA-O 3.19Å; Y261-T341 HydrophobicContact CD1-CG2 4.45Å; Y261-T341 PolarHBondContact N-O 3.08Å; Y261-T341 PolarHBondContact O-N 2.85Å; Y261-T341 VanDerWaalsContact O-N 3.08Å; L263-T341 HydrophobicContact CD1-CG2 3.8Å; L263-T341 HydrophobicContact CD2-CG2 4.18Å; L263-T341 HydrophobicContact CG-CG2 4Å
342D93.1Very high93.9Very high53 Ų5352.6 Ų52.628%0.28327%0.265SS..EExtended strand (participates in β ladder)trans-73.1131.5174.4-72.7-15.9000111Y257 S292 T344Y257-D342 HydrophobicContact CE2-CB 3.98Å; Y257-D342 WeakPolarHBondContact CE2-OD1 3.35Å; S292-D342 WeakPolarHBondContact CA-OD1 3.32Å; S292-D342 WeakPolarHBondContact CB-OD1 3.31Å; S292-D342 PolarHBondContact N-OD1 3.49Å; S292-D342 PolarHBondContact OG-OD1 2.91Å; D342-T344 HydrophobicContact CB-CG2 4.22Å
343H94.3Very high94.1Very high21 Ų2152.8 Ų52.810%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-95.9112.4166-164.3165.7000108.1F232 E235 K258 G259 Y261 T280F232-H343 HydrophobicContact CE2-CB 4.41Å; F232-H343 AromaticContact CE2-CD2 3.9Å; F232-H343 AromaticContact CE2-CG 3.95Å; E235-H343 IonicContact OE1-NE2 2.84Å; E235-H343 PolarHBondContact OE1-NE2 3.36Å; K258-H343 HydrophobicContact CB-CB 4.1Å; K258-H343 WeakPolarHBondContact CB-O 3.46Å; K258-H343 PolarHBondContact N-O 2.99Å; G259-H343 PolarHBondContact N-O 2.83Å; G259-H343 WeakPolarHBondContact O-CB 3.49Å; G259-H343 PolarHBondContact O-N 3.05Å; Y261-H343 AromaticContact CD2-ND1 3.92Å; T280-H343 HydrophobicContact CG2-CB 3.95Å; T280-H343 PolarHBondContact OG1-ND1 3Å
344T92.3Very high94.2Very high26 Ų2648.7 Ų48.716%0.1625%0.249CC..EExtended strand (participates in β ladder)trans-121.1162.5179.460.10000111.6N239 M255 K256 Y257 D342N239-T344 PolarHBondContact ND2-O 2.97Å; M255-T344 HydrophobicContact CE-CG2 4.46Å; K256-T344 CarbonylContact O-C 3.55Å; K256-T344 VanDerWaalsContact O-CA 3.26Å; K256-T344 WeakPolarHBondContact O-CA 3.09Å; Y257-T344 HydrophobicContact CD2-CG2 4.39Å; D342-T344 HydrophobicContact CB-CG2 4.22Å
345E92.4Very high94Very high81 Ų8152.3 Ų52.338%0.37927%0.268SS..EExtended strand (participates in β ladder)trans-142.9147.1172.8172.8175.4-114.500109.3K256 K258K256-E345 PolarHBondContact N-O 3.01Å; K256-E345 PolarHBondContact O-N 3.3Å; K258-E345 HydrophobicContact CD-CB 4.1Å; K258-E345 VanDerWaalsContact CE-CB 3.42Å; K258-E345 WeakPolarHBondContact CE-OE2 3.4Å; K258-E345 HydrophobicContact CG-CB 4.48Å; K258-E345 IonicContact NZ-OE1 3.03Å; K258-E345 PolarHBondContact NZ-OE1 3.49Å; K258-E345 IonicContact NZ-OE2 3.79Å; K258-E345 PolarHBondContact NZ-OE2 2.66Å
346I91.5Very high93.6Very high26 Ų2652.6 Ų52.613%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-93.1128.2175.2-72169.4000110.1N239 I242 E243 L246 M255N239-I346 HydrophobicContact CB-CD1 4.21Å; N239-I346 WeakPolarHBondContact O-CD1 3.49Å; I242-I346 HydrophobicContact CB-CD1 3.8Å; I242-I346 HydrophobicContact CG2-CB 4.4Å; I242-I346 HydrophobicContact CG2-CD1 3.8Å; I242-I346 HydrophobicContact CG2-CG2 3.92Å; E243-I346 HydrophobicContact CB-CD1 3.75Å; L246-I346 HydrophobicContact CD1-CG2 4.02Å; M255-I346 HydrophobicContact CE-CG1 4.11Å; M255-I346 HydrophobicContact SD-CD1 4.02Å; M255-I346 HydrophobicContact SD-CG1 3.35Å; M255-I346 WeakPolarHBondContact SD-CG1 3.44Å
347D92.7Very high93Very high70 Ų7055.3 Ų55.337%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-104.3130.4163.6-166.68.3000109.9Y253 E254 K256Y253-D347 CarbonylContact C-O 3.57Å; Y253-D347 VanDerWaalsContact CA-O 3.28Å; Y253-D347 WeakPolarHBondContact CA-O 3.33Å; Y253-D347 WeakPolarHBondContact CB-O 3.28Å; E254-D347 HydrophobicContact CB-CB 4.46Å; E254-D347 PolarHBondContact N-O 3.11Å; E254-D347 PolarHBondContact O-N 3.2Å; K256-D347 HydrophobicContact CD-CB 4.15Å; K256-D347 WeakPolarHBondContact CE-OD2 3.28Å; K256-D347 HydrophobicContact CG-CB 4.48Å; K256-D347 VanDerWaalsContact NZ-CG 3.31Å; K256-D347 IonicContact NZ-OD2 3.91Å; K256-D347 PolarHBondContact NZ-OD2 2.83Å
348S94.1Very high92.5Very high27 Ų2762.8 Ų62.819%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-154.1150.1-172.4170.80000109.9E350S348-E350 PolarHBondContact O-N 2.94Å; S348-E350 PolarHBondContact OG-N 2.8Å; S348-E350 PolarHBondContact OG-O 2.9Å
349Q93.4Very high92.1Very high164 Ų16463.4 Ų63.477%0.76634%0.342SS*.SBendtrans-69.4-25.6169.8-66.5-174.3-10.200112.2
350E95.1Very high92.1Very high29 Ų2960.9 Ų60.914%0.13633%0.332CS..SBendtrans-84.1116.1176.8-51.7-65.8162.400108.9N175 L246 K251 S348 V352 L376N175-E350 PolarHBondContact ND2-OE2 3.38Å; N175-E350 WeakPolarHBondContact OD1-CA 3.22Å; L246-E350 HydrophobicContact CD2-CB 3.93Å; L246-E350 HydrophobicContact CD2-CG 3.85Å; K251-E350 HydrophobicContact CB-CG 4.29Å; K251-E350 HydrophobicContact CD-CG 4.24Å; K251-E350 VanDerWaalsContact CD-OE1 3.31Å; K251-E350 WeakPolarHBondContact CD-OE1 3.44Å; K251-E350 VanDerWaalsContact CE-OE1 3.25Å; K251-E350 WeakPolarHBondContact CE-OE1 3.3Å; K251-E350 HydrophobicContact CG-CG 4.14Å; K251-E350 IonicContact NZ-OE1 2.85Å; K251-E350 PolarHBondContact NZ-OE1 2.88Å; S348-E350 PolarHBondContact O-N 2.94Å; S348-E350 PolarHBondContact OG-N 2.8Å; S348-E350 PolarHBondContact OG-O 2.9Å; E350-V352 PolarHBondContact O-N 3.27Å; E350-V352 VanDerWaalsContact O-N 3.14Å; E350-L376 HydrophobicContact CB-CD2 3.8Å; E350-L376 HydrophobicContact CG-CD2 3.72Å
351K94.4Very high91.9Very high129 Ų12959.4 Ų59.456%0.56132%0.324SS*.  trans-80.997-178.7-62.2-176.5-171.91720110V174 N175 D176V174-K351 CarbonylContact C-O 3.51Å; V174-K351 WeakPolarHBondContact CA-O 3.06Å; N175-K351 PolarHBondContact N-O 2.84Å; N175-K351 PolarHBondContact OD1-N 3.11Å; D176-K351 IonicContact OD2-NZ 2.7Å; D176-K351 PolarHBondContact OD2-NZ 3.26Å
352V95.9Very high91.8Very high30 Ų3059.5 Ų59.518%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-98.8125.7173.2-174.10000109.1V174 I242 E350 V354 I372V174-V352 HydrophobicContact CG1-CG2 4.37Å; V174-V352 HydrophobicContact CG2-CG1 4.38Å; V174-V352 HydrophobicContact CG2-CG2 4.33Å; I242-V352 HydrophobicContact CD1-CB 4.19Å; I242-V352 HydrophobicContact CD1-CG1 4.08Å; I242-V352 HydrophobicContact CG1-CB 4.11Å; I242-V352 HydrophobicContact CG1-CG1 3.81Å; I242-V352 HydrophobicContact CG2-CB 4.49Å; I242-V352 HydrophobicContact CG2-CG2 4.42Å; E350-V352 PolarHBondContact O-N 3.27Å; E350-V352 VanDerWaalsContact O-N 3.14Å; V352-V354 HydrophobicContact CG1-CG2 4.33Å; V352-I372 HydrophobicContact CG1-CD1 3.79Å; V352-I372 HydrophobicContact CG1-CG1 3.8Å; V352-I372 HydrophobicContact CG1-CG2 4.05Å; V352-I372 HydrophobicContact CG2-CG2 3.81Å
353K95Very high91.8Very high131 Ų13158.1 Ų58.157%0.5732%0.32SS*.EExtended strand (participates in β ladder)trans-120.9128171.4-177.2-176176.6-170.20108.8I172 T173I172-K353 WeakPolarHBondContact CA-O 3.33Å; T173-K353 PolarHBondContact N-O 2.71Å; T173-K353 PolarHBondContact O-N 3.27Å
354V94.5Very high91.8Very high19 Ų1957.3 Ų57.312%0.11532%0.317CS..EExtended strand (participates in β ladder)trans-116.8122.6172.4-175.90000107.8L171 I172 Q238 V352 F368 I372L171-V354 CarbonylContact O-C 3.57Å; L171-V354 WeakPolarHBondContact O-CA 3.35Å; I172-V354 HydrophobicContact CD1-CG2 4.34Å; I172-V354 HydrophobicContact CG1-CG1 4.25Å; I172-V354 HydrophobicContact CG1-CG2 4.18Å; I172-V354 HydrophobicContact CG2-CG2 4.5Å; Q238-V354 HydrophobicContact CG-CB 4.03Å; Q238-V354 HydrophobicContact CG-CG1 3.93Å; Q238-V354 HydrophobicContact CG-CG2 4.43Å; V352-V354 HydrophobicContact CG1-CG2 4.33Å; V354-F368 HydrophobicContact CG1-CD2 4.43Å; V354-F368 HydrophobicContact CG1-CE1 4.03Å; V354-F368 HydrophobicContact CG1-CE2 3.99Å; V354-F368 HydrophobicContact CG1-CZ 3.76Å; V354-I372 HydrophobicContact CG2-CD1 4.4Å
355D92.7Very high91.9Very high92 Ų9256 Ų5649%0.49231%0.31SS..  trans-110.295.2174.5-165.9-14.7000108.7L171 G357L171-D355 WeakPolarHBondContact CB-O 3.26Å; L171-D355 VanDerWaalsContact CD2-O 3.28Å; L171-D355 WeakPolarHBondContact CD2-O 3.5Å; L171-D355 PolarHBondContact O-N 3.24Å; D355-G357 VanDerWaalsContact C-N 3.32Å; D355-G357 PolarHBondContact OD1-N 3.05Å
356A87.7Confident92.1Very high10 Ų1052.2 Ų52.28%0.08329%0.292CS..  trans-86.9-0.7-178.900000113.2M234 D358 I359M234-A356 HydrophobicContact CE-CB 4.46Å; M234-A356 HydrophobicContact CG-CB 3.84Å; M234-A356 HydrophobicContact SD-CB 4.16Å; A356-D358 PolarHBondContact O-N 2.81Å; A356-I359 HydrophobicContact CB-CB 4.48Å; A356-I359 VanDerWaalsContact O-CB 3.25Å; A356-I359 WeakPolarHBondContact O-CB 3.19Å; A356-I359 WeakPolarHBondContact O-CD1 3.42Å; A356-I359 WeakPolarHBondContact O-CG1 3.4Å; A356-I359 PolarHBondContact O-N 2.8Å
357G85.9Confident92.3Very high61 Ų6151 Ų5163%0.62929%0.285SS*.THydrogen-bonded Turntrans52.1-125-176.100000112.9D355 I359D355-G357 VanDerWaalsContact C-N 3.32Å; D355-G357 PolarHBondContact OD1-N 3.05Å; G357-I359 VanDerWaalsContact C-N 3.34Å
358D83.9Confident92.5Very high160 Ų16047.6 Ų47.686%0.85627%0.268SS*.THydrogen-bonded Turntrans-88.75.6179.4-63.9-38.5000113.7A356 G360A356-D358 PolarHBondContact O-N 2.81Å; D358-G360 PolarHBondContact O-N 2.81Å
359I87.7Confident92.6Very high38 Ų3846.3 Ų46.320%0.19526%0.259CS..  trans-76.2121.5-178.5-52.3163.6000109.7I166 L171 L187 M234 A356 G357I166-I359 HydrophobicContact CD1-CD1 3.45Å; I166-I359 VanDerWaalsContact CD1-CD1 3.45Å; I166-I359 HydrophobicContact CD1-CG1 4.22Å; L171-I359 HydrophobicContact CD1-CD1 4.37Å; L187-I359 HydrophobicContact CD1-CD1 4.36Å; M234-I359 HydrophobicContact CE-CB 4.15Å; M234-I359 HydrophobicContact CE-CG2 3.6Å; M234-I359 WeakPolarHBondContact CE-O 3.32Å; A356-I359 HydrophobicContact CB-CB 4.48Å; A356-I359 VanDerWaalsContact O-CB 3.25Å; A356-I359 WeakPolarHBondContact O-CB 3.19Å; A356-I359 WeakPolarHBondContact O-CD1 3.42Å; A356-I359 WeakPolarHBondContact O-CG1 3.4Å; A356-I359 PolarHBondContact O-N 2.8Å; G357-I359 VanDerWaalsContact C-N 3.34Å
360G90.6Very high92.6Very high27 Ų2738.6 Ų38.628%0.27822%0.222SC..  trans-104.9166.4176.800000114.6D358D358-G360 PolarHBondContact O-N 2.81Å
361G89.7Confident92.7Very high3 Ų337.2 Ų37.23%0.03122%0.216CC..SBendtrans89.4164.1171.300000114.8Q230 M234 S363Q230-G361 PolarHBondContact O-N 3.46Å; M234-G361 WeakPolarHBondContact CE-O 3.28Å; G361-S363 VanDerWaalsContact C-N 3.33Å; G361-S363 PolarHBondContact O-N 3.05Å
362P91.5Very high92.7Very high52 Ų5231 Ų3134%0.33819%0.189SC..SBendtrans-872.3-169.234.4-36.1000114.7S237 A364 G365 T392S237-P362 PolarHBondContact OG-O 3.12Å; S237-P362 VanDerWaalsContact OG-O 3.12Å; P362-A364 PolarHBondContact O-N 2.8Å; P362-A364 VanDerWaalsContact O-N 3.1Å; P362-G365 PolarHBondContact O-N 3.04Å; P362-T392 HydrophobicContact CB-CG2 3.83Å; P362-T392 HydrophobicContact CG-CG2 3.78Å
363S92.6Very high92.7Very high24 Ų2430.7 Ų30.717%0.16819%0.185CC..THydrogen-bonded Turntrans-74.6-1.7-163.469.70000116.1G361 T390 G391 K408G361-S363 VanDerWaalsContact C-N 3.33Å; G361-S363 PolarHBondContact O-N 3.05Å; S363-T390 PolarHBondContact O-OG1 2.84Å; S363-G391 CarbonylContact C-O 3.53Å; S363-G391 PolarHBondContact O-N 3.35Å; S363-K408 PolarHBondContact OG-NZ 2.83Å
364A94Very high92.6Very high4 Ų424.4 Ų24.43%0.03316%0.158CC..THydrogen-bonded Turntrans-98-10-177.600000113.7L187 M234 P362 L366 M367 F368L187-A364 HydrophobicContact CB-CB 4.47Å; L187-A364 HydrophobicContact CD2-CB 3.97Å; M234-A364 HydrophobicContact CE-CB 4.35Å; M234-A364 HydrophobicContact SD-CB 4.46Å; P362-A364 PolarHBondContact O-N 2.8Å; P362-A364 VanDerWaalsContact O-N 3.1Å; A364-L366 VanDerWaalsContact C-N 3.32Å; A364-L366 PolarHBondContact O-N 2.97Å; A364-M367 PolarHBondContact O-N 3.15Å; A364-F368 HydrophobicContact CB-CD1 4.34Å; A364-F368 HydrophobicContact CB-CD2 3.98Å; A364-F368 HydrophobicContact CB-CE1 4.01Å; A364-F368 HydrophobicContact CB-CE2 3.58Å; A364-F368 HydrophobicContact CB-CG 4.35Å; A364-F368 HydrophobicContact CB-CZ 3.62Å; A364-F368 PolarHBondContact O-N 3.48Å
365G95.2Very high92.6Very high0 Ų025.4 Ų25.40%016%0.159CC..Hα-helixtrans-48.9-47.8-171.900000114.2S237 A241 P362 M367 F368 T369 G391S237-G365 WeakPolarHBondContact OG-CA 3.3Å; S237-G365 PolarHBondContact OG-N 3.3Å; S237-G365 VanDerWaalsContact OG-N 3.14Å; A241-G365 WeakPolarHBondContact CB-O 3.38Å; P362-G365 PolarHBondContact O-N 3.04Å; G365-M367 PolarHBondContact O-N 3.42Å; G365-F368 PolarHBondContact O-N 3.44Å; G365-T369 PolarHBondContact O-N 3.5Å; G365-T369 PolarHBondContact O-OG1 3.32Å; G365-T369 VanDerWaalsContact O-OG1 3.08Å; G365-G391 PolarHBondContact N-O 3.07Å
366L95.7Very high92.7Very high0 Ų022 Ų220%014%0.141CC..Hα-helixtrans-57.5-47.8178-177.961.5000113.1A364 T369 L370 G391 V399 F421 V461 M467A364-L366 VanDerWaalsContact C-N 3.32Å; A364-L366 PolarHBondContact O-N 2.97Å; L366-T369 PolarHBondContact O-N 3.15Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.17Å; L366-G391 PolarHBondContact N-O 2.99Å; L366-V399 HydrophobicContact CD1-CG2 3.62Å; L366-V399 HydrophobicContact CD2-CG1 4.09Å; L366-V399 HydrophobicContact CD2-CG2 4.49Å; L366-F421 HydrophobicContact CD2-CB 4.07Å; L366-V461 HydrophobicContact CD1-CG1 4.22Å; L366-V461 HydrophobicContact CD2-CB 4.18Å; L366-V461 HydrophobicContact CD2-CG1 4.08Å; L366-V461 HydrophobicContact CD2-CG2 4.29Å; L366-M467 HydrophobicContact CD1-CE 3.73Å; L366-M467 HydrophobicContact CD1-SD 3.23Å; L366-M467 WeakPolarHBondContact CD1-SD 3.02Å; L366-M467 HydrophobicContact CD2-SD 4.36Å; L366-M467 HydrophobicContact CG-SD 3.82Å
367M96.5Very high92.9Very high0 Ų023.3 Ų23.30%015%0.148CC..Hα-helixtrans-72.9-36.3-174.7-59.8-53.2-59.400110.8L168 F185 A364 G365 L370 E371 G389 F421L168-M367 VanDerWaalsContact CD1-C 3.43Å; L168-M367 HydrophobicContact CD1-CB 3.79Å; L168-M367 WeakPolarHBondContact CD1-O 3.48Å; F185-M367 HydrophobicContact CB-CE 3.96Å; F185-M367 HydrophobicContact CD1-CE 3.77Å; F185-M367 HydrophobicContact CG-CE 4.21Å; A364-M367 PolarHBondContact O-N 3.15Å; G365-M367 PolarHBondContact O-N 3.42Å; M367-L370 HydrophobicContact CE-CD1 4.08Å; M367-L370 WeakPolarHBondContact O-CB 3.23Å; M367-L370 PolarHBondContact O-N 3.48Å; M367-L370 HydrophobicContact SD-CD1 4.1Å; M367-E371 PolarHBondContact O-N 2.95Å; M367-E371 VanDerWaalsContact O-N 3.15Å; M367-G389 VanDerWaalsContact CG-C 3.49Å; M367-G389 WeakPolarHBondContact CG-O 3.28Å; M367-G389 VanDerWaalsContact SD-CA 3.51Å; M367-F421 HydrophobicContact CE-CD2 4.43Å; M367-F421 HydrophobicContact SD-CB 4.47Å; M367-F421 HydrophobicContact SD-CD2 4.11Å
368F96.7Very high93Very high0 Ų027 Ų270%015%0.153CC..Hα-helixtrans-60.6-45.5170.6-68.1-17.8000111.8L168 I172 L187 M234 Q238 A241 V354 A364 G365 L370 E371 I372L168-F368 HydrophobicContact CD1-CD1 4.24Å; L168-F368 HydrophobicContact CD2-CD1 3.79Å; L168-F368 HydrophobicContact CD2-CE1 3.66Å; I172-F368 HydrophobicContact CD1-CB 4.29Å; I172-F368 HydrophobicContact CD1-CD1 3.64Å; I172-F368 HydrophobicContact CD1-CE1 4.3Å; I172-F368 HydrophobicContact CD1-CG 4.24Å; L187-F368 HydrophobicContact CD2-CE1 3.68Å; L187-F368 HydrophobicContact CD2-CZ 4Å; M234-F368 HydrophobicContact SD-CE2 3.6Å; M234-F368 HydrophobicContact SD-CZ 4.02Å; Q238-F368 HydrophobicContact CG-CD2 4.1Å; Q238-F368 HydrophobicContact CG-CE2 3.79Å; A241-F368 HydrophobicContact CB-CB 3.5Å; A241-F368 HydrophobicContact CB-CD2 4.47Å; V354-F368 HydrophobicContact CG1-CD2 4.43Å; V354-F368 HydrophobicContact CG1-CE1 4.03Å; V354-F368 HydrophobicContact CG1-CE2 3.99Å; V354-F368 HydrophobicContact CG1-CZ 3.76Å; A364-F368 HydrophobicContact CB-CD1 4.34Å; A364-F368 HydrophobicContact CB-CD2 3.98Å; A364-F368 HydrophobicContact CB-CE1 4.01Å; A364-F368 HydrophobicContact CB-CE2 3.58Å; A364-F368 HydrophobicContact CB-CG 4.35Å; A364-F368 HydrophobicContact CB-CZ 3.62Å; A364-F368 PolarHBondContact O-N 3.48Å; G365-F368 PolarHBondContact O-N 3.44Å; F368-L370 VanDerWaalsContact C-N 3.26Å; F368-L370 PolarHBondContact O-N 3.36Å; F368-E371 PolarHBondContact O-N 3.08Å; F368-I372 HydrophobicContact CB-CD1 4.35Å; F368-I372 WeakPolarHBondContact O-CB 3.37Å; F368-I372 WeakPolarHBondContact O-CD1 3.19Å; F368-I372 WeakPolarHBondContact O-CG1 3.18Å; F368-I372 PolarHBondContact O-N 3.19Å
369T95.9Very high93.1Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-56.6-42.3176.9-63.70000111.6A241 Q244 A245 L248 G365 L366 Y373 I393A241-T369 WeakPolarHBondContact CA-OG1 3.18Å; A241-T369 PolarHBondContact O-OG1 3.23Å; Q244-T369 HydrophobicContact CB-CG2 3.81Å; A245-T369 HydrophobicContact CB-CG2 4.44Å; L248-T369 HydrophobicContact CD1-CG2 4.08Å; G365-T369 PolarHBondContact O-N 3.5Å; G365-T369 PolarHBondContact O-OG1 3.32Å; G365-T369 VanDerWaalsContact O-OG1 3.08Å; L366-T369 PolarHBondContact O-N 3.15Å; T369-Y373 WeakPolarHBondContact O-CB 3.37Å; T369-Y373 PolarHBondContact O-N 3.36Å; T369-I393 HydrophobicContact CG2-CD1 4.15Å; T369-I393 WeakPolarHBondContact OG1-CD1 3.15Å
370L94.5Very high93.1Very high1 Ų127.6 Ų27.61%0.00515%0.15CC..Hα-helixtrans-62.2-51.9179.1-81.7177.3000113.5F185 L366 M367 F368 Y373 E374 F421 M467 L471F185-L370 HydrophobicContact CD1-CB 4.45Å; F185-L370 HydrophobicContact CD1-CD1 4.01Å; F185-L370 HydrophobicContact CD2-CB 4.03Å; F185-L370 HydrophobicContact CE1-CB 4.36Å; F185-L370 HydrophobicContact CE1-CD1 3.74Å; F185-L370 HydrophobicContact CE2-CB 3.91Å; F185-L370 HydrophobicContact CG-CB 4.31Å; F185-L370 HydrophobicContact CZ-CB 4.09Å; F185-L370 HydrophobicContact CZ-CD1 4.12Å; F185-L370 HydrophobicContact CZ-CD2 4.28Å; F185-L370 HydrophobicContact CZ-CG 4.43Å; L366-L370 PolarHBondContact O-N 3.15Å; L366-L370 VanDerWaalsContact O-N 3.17Å; M367-L370 HydrophobicContact CE-CD1 4.08Å; M367-L370 WeakPolarHBondContact O-CB 3.23Å; M367-L370 PolarHBondContact O-N 3.48Å; M367-L370 HydrophobicContact SD-CD1 4.1Å; F368-L370 VanDerWaalsContact C-N 3.26Å; F368-L370 PolarHBondContact O-N 3.36Å; L370-Y373 PolarHBondContact O-N 2.62Å; L370-E374 WeakPolarHBondContact O-CB 3.09Å; L370-E374 PolarHBondContact O-N 2.95Å; L370-F421 HydrophobicContact CD1-CD2 3.77Å; L370-F421 HydrophobicContact CD1-CE2 3.68Å; L370-M467 HydrophobicContact CD1-CE 4.35Å; L370-M467 HydrophobicContact CD1-CG 4.12Å; L370-M467 HydrophobicContact CD1-SD 3.34Å; L370-M467 WeakPolarHBondContact CD1-SD 3.21Å; L370-M467 HydrophobicContact CD2-CE 3.27Å; L370-M467 HydrophobicContact CD2-CG 3.69Å; L370-M467 HydrophobicContact CD2-SD 3.28Å; L370-M467 WeakPolarHBondContact CD2-SD 3.33Å; L370-M467 HydrophobicContact CG-CE 3.52Å; L370-M467 HydrophobicContact CG-CG 4.18Å; L370-M467 HydrophobicContact CG-SD 3.2Å; L370-M467 WeakPolarHBondContact CG-SD 3.17Å; L370-L471 HydrophobicContact CD2-CD1 3.37Å
371E95.4Very high93Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-62.4-48.4-178.7179.459.4-14400110.4L168 I172 D179 F185 M367 F368 Y373 E374 R375 R382L168-E371 HydrophobicContact CB-CB 4.16Å; L168-E371 HydrophobicContact CB-CG 3.89Å; L168-E371 HydrophobicContact CD1-CB 3.74Å; L168-E371 HydrophobicContact CD1-CG 4.39Å; I172-E371 HydrophobicContact CB-CG 4.08Å; I172-E371 HydrophobicContact CD1-CB 3.93Å; I172-E371 HydrophobicContact CD1-CG 3.83Å; I172-E371 HydrophobicContact CG1-CG 4.38Å; I172-E371 HydrophobicContact CG2-CG 4.32Å; D179-E371 WeakPolarHBondContact CB-OE1 3.24Å; F185-E371 HydrophobicContact CD2-CB 4.4Å; M367-E371 PolarHBondContact O-N 2.95Å; M367-E371 VanDerWaalsContact O-N 3.15Å; F368-E371 PolarHBondContact O-N 3.08Å; E371-Y373 PolarHBondContact O-N 3.02Å; E371-E374 PolarHBondContact O-N 3.33Å; E371-R375 VanDerWaalsContact O-CG 3.28Å; E371-R375 WeakPolarHBondContact O-CG 3.39Å; E371-R375 PolarHBondContact O-N 2.77Å; E371-R375 VanDerWaalsContact O-N 3.08Å; E371-R375 IonicContact OE1-CZ 3.46Å; E371-R375 IonicContact OE1-NH1 3.56Å; E371-R375 PolarHBondContact OE1-NH1 2.81Å; E371-R375 IonicContact OE2-NH1 2.81Å; E371-R382 IonicContact OE2-NH1 2.62Å
372I96Very high92.9Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-62.3-45.2178.5-60161.5000110.2I172 V174 I242 A245 V352 V354 F368 E374 R375 L376I172-I372 HydrophobicContact CD1-CG1 4.22Å; I172-I372 HydrophobicContact CG2-CG1 3.91Å; V174-I372 HydrophobicContact CG2-CG2 4.27Å; I242-I372 HydrophobicContact CG1-CD1 3.75Å; A245-I372 HydrophobicContact CB-CB 3.68Å; A245-I372 HydrophobicContact CB-CG2 3.44Å; A245-I372 VanDerWaalsContact CB-CG2 3.44Å; V352-I372 HydrophobicContact CG1-CD1 3.79Å; V352-I372 HydrophobicContact CG1-CG1 3.8Å; V352-I372 HydrophobicContact CG1-CG2 4.05Å; V352-I372 HydrophobicContact CG2-CG2 3.81Å; V354-I372 HydrophobicContact CG2-CD1 4.4Å; F368-I372 HydrophobicContact CB-CD1 4.35Å; F368-I372 WeakPolarHBondContact O-CB 3.37Å; F368-I372 WeakPolarHBondContact O-CD1 3.19Å; F368-I372 WeakPolarHBondContact O-CG1 3.18Å; F368-I372 PolarHBondContact O-N 3.19Å; I372-E374 PolarHBondContact O-N 3.27Å; I372-R375 PolarHBondContact O-N 3.19Å; I372-L376 HydrophobicContact CG2-CD1 3.84Å; I372-L376 HydrophobicContact CG2-CG 4.22Å; I372-L376 WeakPolarHBondContact O-CB 3.42Å; I372-L376 VanDerWaalsContact O-CG 3.25Å; I372-L376 WeakPolarHBondContact O-CG 3.13Å; I372-L376 PolarHBondContact O-N 2.87Å
373Y94.8Very high92.7Very high22 Ų2228.1 Ų28.19%0.08614%0.14CC..Hα-helixtrans-61-46178.9175.7-115.8000111.8L248 A249 T369 L370 E371 R375 L376 V377 L381 K468L248-Y373 HydrophobicContact CB-CD2 3.52Å; L248-Y373 HydrophobicContact CB-CE2 3.57Å; L248-Y373 HydrophobicContact CB-CG 4.29Å; L248-Y373 HydrophobicContact CD1-CD2 4.43Å; L248-Y373 HydrophobicContact CD1-CG 4.41Å; L248-Y373 WeakPolarHBondContact O-CE2 3.45Å; A249-Y373 HydrophobicContact CB-CD2 4.26Å; A249-Y373 HydrophobicContact CB-CE2 4.33Å; T369-Y373 WeakPolarHBondContact O-CB 3.37Å; T369-Y373 PolarHBondContact O-N 3.36Å; L370-Y373 PolarHBondContact O-N 2.62Å; E371-Y373 PolarHBondContact O-N 3.02Å; Y373-R375 VanDerWaalsContact C-N 3.31Å; Y373-R375 PolarHBondContact O-N 2.67Å; Y373-L376 PolarHBondContact O-N 3.22Å; Y373-V377 HydrophobicContact CD2-CG1 3.86Å; Y373-V377 HydrophobicContact CE1-CG2 4.37Å; Y373-V377 HydrophobicContact CE2-CB 4.48Å; Y373-V377 HydrophobicContact CE2-CG1 3.29Å; Y373-V377 HydrophobicContact CE2-CG2 4.44Å; Y373-V377 WeakPolarHBondContact O-CG2 3.41Å; Y373-V377 PolarHBondContact O-N 3.13Å; Y373-L381 HydrophobicContact CD1-CD1 3.7Å; Y373-L381 HydrophobicContact CE1-CD1 3.92Å; Y373-K468 HydrophobicContact CE1-CD 4.35Å; Y373-K468 HydrophobicContact CE1-CG 4.48Å; Y373-K468 WeakPolarHBondContact OH-CE 3.4Å; Y373-K468 PolarHBondContact OH-NZ 3.26Å
374E93.5Very high92.5Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-55.7-48.3177.8-166.6172.3116.400111.1F185 L370 E371 I372 L376 V377 D378 K379 L381 R382F185-E374 HydrophobicContact CE2-CB 4.45Å; F185-E374 VanDerWaalsContact CE2-OE2 3.26Å; F185-E374 WeakPolarHBondContact CE2-OE2 3.47Å; L370-E374 WeakPolarHBondContact O-CB 3.09Å; L370-E374 PolarHBondContact O-N 2.95Å; E371-E374 PolarHBondContact O-N 3.33Å; I372-E374 PolarHBondContact O-N 3.27Å; E374-L376 PolarHBondContact O-N 3.06Å; E374-V377 PolarHBondContact O-N 2.77Å; E374-D378 PolarHBondContact O-N 3.42Å; E374-K379 WeakPolarHBondContact CG-O 3.33Å; E374-L381 HydrophobicContact CB-CD1 4.05Å; E374-L381 HydrophobicContact CB-CG 4.43Å; E374-L381 HydrophobicContact CG-CB 4.4Å; E374-L381 HydrophobicContact CG-CD1 4.18Å; E374-L381 HydrophobicContact CG-CG 4.01Å; E374-L381 WeakPolarHBondContact OE2-CA 3.47Å; E374-L381 WeakPolarHBondContact OE2-CB 3.39Å; E374-L381 PolarHBondContact OE2-N 2.88Å; E374-R382 IonicContact OE1-CZ 3.65Å; E374-R382 IonicContact OE1-NE 2.78Å; E374-R382 PolarHBondContact OE1-NE 3.45Å; E374-R382 IonicContact OE1-NH2 3.93Å; E374-R382 PolarHBondContact OE1-NH2 3.27Å; E374-R382 IonicContact OE2-NE 3.58Å; E374-R382 PolarHBondContact OE2-NE 3.37Å
375R94.3Very high92.2Very high39 Ų3932.7 Ų32.715%0.14717%0.166CC..Hα-helixtrans-65.3-35.6178.1-65.6-66.288.163.1-3.4113.4V174 D179 D181 E371 I372 Y373 R382V174-R375 HydrophobicContact CB-CB 3.81Å; V174-R375 HydrophobicContact CB-CG 4.48Å; V174-R375 HydrophobicContact CG1-CB 4.28Å; V174-R375 HydrophobicContact CG2-CB 3.67Å; V174-R375 HydrophobicContact CG2-CG 4.14Å; D179-R375 VanDerWaalsContact CG-CZ 3.45Å; D179-R375 IonicContact OD1-CZ 3.4Å; D179-R375 IonicContact OD1-NE 2.71Å; D179-R375 IonicContact OD1-NH1 3.27Å; D179-R375 PolarHBondContact OD1-NH1 2.91Å; D179-R375 IonicContact OD1-NH2 2.63Å; D179-R375 PolarHBondContact OD1-NH2 2.66Å; D179-R375 IonicContact OD2-CZ 3.41Å; D179-R375 IonicContact OD2-NH1 3.81Å; D179-R375 PolarHBondContact OD2-NH1 2.79Å; D179-R375 VanDerWaalsContact OD2-NH1 3.08Å; D181-R375 IonicContact OD2-CZ 3.27Å; D181-R375 IonicContact OD2-NH2 2.65Å; D181-R375 PolarHBondContact OD2-NH2 3.08Å; E371-R375 VanDerWaalsContact O-CG 3.28Å; E371-R375 WeakPolarHBondContact O-CG 3.39Å; E371-R375 PolarHBondContact O-N 2.77Å; E371-R375 VanDerWaalsContact O-N 3.08Å; E371-R375 IonicContact OE1-CZ 3.46Å; E371-R375 IonicContact OE1-NH1 3.56Å; E371-R375 PolarHBondContact OE1-NH1 2.81Å; E371-R375 IonicContact OE2-NH1 2.81Å; I372-R375 PolarHBondContact O-N 3.19Å; Y373-R375 VanDerWaalsContact C-N 3.31Å; Y373-R375 PolarHBondContact O-N 2.67Å; R375-R382 VanDerWaalsContact NH2-NH2 3.19Å
376L94.3Very high92.1Very high21 Ų2138.3 Ų38.311%0.1119%0.191CC..Hα-helixtrans-71.8-31.9178.5-74174.5000113.2V174 A245 L246 A249 E350 I372 Y373 E374V174-L376 HydrophobicContact CG1-CD2 3.73Å; V174-L376 HydrophobicContact CG1-CG 4.22Å; A245-L376 HydrophobicContact CB-CD1 4.14Å; L246-L376 HydrophobicContact CD2-CD1 3.84Å; L246-L376 HydrophobicContact CG-CD1 4.38Å; A249-L376 HydrophobicContact CB-CB 3.88Å; A249-L376 HydrophobicContact CB-CD1 4.05Å; E350-L376 HydrophobicContact CB-CD2 3.8Å; E350-L376 HydrophobicContact CG-CD2 3.72Å; I372-L376 HydrophobicContact CG2-CD1 3.84Å; I372-L376 HydrophobicContact CG2-CG 4.22Å; I372-L376 WeakPolarHBondContact O-CB 3.42Å; I372-L376 VanDerWaalsContact O-CG 3.25Å; I372-L376 WeakPolarHBondContact O-CG 3.13Å; I372-L376 PolarHBondContact O-N 2.87Å; Y373-L376 PolarHBondContact O-N 3.22Å; E374-L376 PolarHBondContact O-N 3.06Å
377V91.5Very high92.1Very high37 Ų3738.3 Ų38.322%0.22419%0.191CC..Hα-helixtrans-98.2-8.3-178.4-56.30000114.5A249 Y373 E374 K379A249-V377 HydrophobicContact CB-CG1 4.07Å; Y373-V377 HydrophobicContact CD2-CG1 3.86Å; Y373-V377 HydrophobicContact CE1-CG2 4.37Å; Y373-V377 HydrophobicContact CE2-CB 4.48Å; Y373-V377 HydrophobicContact CE2-CG1 3.29Å; Y373-V377 HydrophobicContact CE2-CG2 4.44Å; Y373-V377 WeakPolarHBondContact O-CG2 3.41Å; Y373-V377 PolarHBondContact O-N 3.13Å; E374-V377 PolarHBondContact O-N 2.77Å; V377-K379 HydrophobicContact CG2-CB 4.12Å; V377-K379 HydrophobicContact CG2-CD 4.49Å; V377-K379 HydrophobicContact CG2-CG 4.32Å
378D88.5Confident92.1Very high140 Ų14038.3 Ų38.375%0.74919%0.191SC*.THydrogen-bonded Turntrans5551.8177.6-162.432.8000112.6E374E374-D378 PolarHBondContact O-N 3.42Å
379K86.4Confident92.1Very high143 Ų14338.3 Ų38.362%0.62219%0.191SC*.  trans-138.9128.1178.5-66.1-179.3-177.5-178.60110.4E374 V377 L381E374-K379 WeakPolarHBondContact CG-O 3.33Å; V377-K379 HydrophobicContact CG2-CB 4.12Å; V377-K379 HydrophobicContact CG2-CD 4.49Å; V377-K379 HydrophobicContact CG2-CG 4.32Å; K379-L381 PolarHBondContact O-N 2.81Å
380D87.6Confident92.1Very high66 Ų6638.4 Ų38.435%0.35319%0.191SC..  trans-63.2105.9171.9179.59.9000110.7R382 H383D380-R382 PolarHBondContact OD1-N 2.91Å; D380-H383 PolarHBondContact OD1-N 2.93Å; D380-H383 WeakPolarHBondContact OD2-CA 3.49Å; D380-H383 PolarHBondContact OD2-N 3.17Å
381L88Confident92.1Very high17 Ų1738.3 Ų38.39%0.08919%0.191CC..SBendtrans-90.5-18.9174.4-55.7174.1000111.6F185 Y373 E374 K379 H383 L471F185-L381 HydrophobicContact CZ-CB 4.42Å; Y373-L381 HydrophobicContact CD1-CD1 3.7Å; Y373-L381 HydrophobicContact CE1-CD1 3.92Å; E374-L381 HydrophobicContact CB-CD1 4.05Å; E374-L381 HydrophobicContact CB-CG 4.43Å; E374-L381 HydrophobicContact CG-CB 4.4Å; E374-L381 HydrophobicContact CG-CD1 4.18Å; E374-L381 HydrophobicContact CG-CG 4.01Å; E374-L381 WeakPolarHBondContact OE2-CA 3.47Å; E374-L381 WeakPolarHBondContact OE2-CB 3.39Å; E374-L381 PolarHBondContact OE2-N 2.88Å; K379-L381 PolarHBondContact O-N 2.81Å; L381-H383 PolarHBondContact O-CD2 2.78Å; L381-H383 PolarHBondContact O-NE2 3.04Å; L381-L471 HydrophobicContact CB-CB 4.15Å; L381-L471 HydrophobicContact CB-CD1 4.02Å; L381-L471 HydrophobicContact CB-CG 4.48Å; L381-L471 HydrophobicContact CD1-CD1 4.23Å; L381-L471 WeakPolarHBondContact O-CD2 3.4Å
382R88.9Confident92.1Very high0 Ų040 Ų400%020%0.201CC..SBendtrans-82.7-24.8-175.3-67.9168.4-69.3176.62.7112.6K169 D179 D181 G183 F185 E371 E374 R375 D380 G384 K385 I387K169-R382 VanDerWaalsContact CE-NH1 3.31Å; D179-R382 VanDerWaalsContact CG-NH2 3.28Å; D179-R382 IonicContact OD1-CZ 3.6Å; D179-R382 IonicContact OD1-NH1 3.36Å; D179-R382 IonicContact OD1-NH2 3.16Å; D179-R382 PolarHBondContact OD1-NH2 3.12Å; D179-R382 IonicContact OD2-CZ 3.49Å; D179-R382 IonicContact OD2-NH1 3.04Å; D179-R382 PolarHBondContact OD2-NH1 3.47Å; D179-R382 IonicContact OD2-NH2 4Å; D179-R382 PolarHBondContact OD2-NH2 2.85Å; D181-R382 IonicContact OD2-NH2 2.77Å; G183-R382 PolarHBondContact O-NH1 3.1Å; F185-R382 HydrophobicContact CD1-CG 4.15Å; F185-R382 HydrophobicContact CD2-CG 3.96Å; F185-R382 HydrophobicContact CE1-CG 3.74Å; F185-R382 HydrophobicContact CE2-CG 3.55Å; F185-R382 HydrophobicContact CG-CG 4.24Å; F185-R382 HydrophobicContact CZ-CG 3.43Å; F185-R382 VanDerWaalsContact CZ-CG 3.43Å; E371-R382 IonicContact OE2-NH1 2.62Å; E374-R382 IonicContact OE1-CZ 3.65Å; E374-R382 IonicContact OE1-NE 2.78Å; E374-R382 PolarHBondContact OE1-NE 3.45Å; E374-R382 IonicContact OE1-NH2 3.93Å; E374-R382 PolarHBondContact OE1-NH2 3.27Å; E374-R382 IonicContact OE2-NE 3.58Å; E374-R382 PolarHBondContact OE2-NE 3.37Å; R375-R382 VanDerWaalsContact NH2-NH2 3.19Å; D380-R382 PolarHBondContact OD1-N 2.91Å; R382-G384 PolarHBondContact O-N 2.78Å; R382-K385 WeakPolarHBondContact O-CB 3.48Å; R382-K385 WeakPolarHBondContact O-CG 3.46Å; R382-K385 PolarHBondContact O-N 2.98Å; R382-K385 VanDerWaalsContact O-N 3.07Å; R382-I387 HydrophobicContact CB-CD1 4.42Å; R382-I387 HydrophobicContact CG-CD1 4.3Å
383H86.2Confident92Very high76 Ų7640.3 Ų40.335%0.35220%0.203SC..THydrogen-bonded Turntrans52.343.1-176-55.8-80.3000111.4D380 L381 K385 L471D380-H383 PolarHBondContact OD1-N 2.93Å; D380-H383 WeakPolarHBondContact OD2-CA 3.49Å; D380-H383 PolarHBondContact OD2-N 3.17Å; L381-H383 PolarHBondContact O-CD2 2.78Å; L381-H383 PolarHBondContact O-NE2 3.04Å; H383-K385 VanDerWaalsContact C-N 3.31Å; H383-K385 PolarHBondContact O-N 3.22Å; H383-L471 PolarHBondContact NE2-O 3.19Å
384G88.1Confident91.8Very high36 Ų3641.2 Ų41.237%0.37121%0.209SC..THydrogen-bonded Turntrans73.19.8-179.200000116.3K182 R382K182-G384 WeakPolarHBondContact O-CA 3.48Å; R382-G384 PolarHBondContact O-N 2.78Å
385K88.6Confident91.5Very high88 Ų8843 Ų4338%0.38322%0.222SC..  trans-93.8151.9-177.8-58.8-59.6-177.7-177.40112.8G183 S184 R382 H383 I387 Y474G183-K385 CarbonylContact C-O 3.49Å; G183-K385 WeakPolarHBondContact CA-O 3.43Å; S184-K385 PolarHBondContact N-O 3.31Å; R382-K385 WeakPolarHBondContact O-CB 3.48Å; R382-K385 WeakPolarHBondContact O-CG 3.46Å; R382-K385 PolarHBondContact O-N 2.98Å; R382-K385 VanDerWaalsContact O-N 3.07Å; H383-K385 VanDerWaalsContact C-N 3.31Å; H383-K385 PolarHBondContact O-N 3.22Å; K385-I387 HydrophobicContact CB-CD1 4.44Å; K385-I387 HydrophobicContact CB-CG1 4.09Å; K385-Y474 HydrophobicContact CG-CE1 4.09Å
386K93.5Very high91.2Very high118 Ų11847 Ų4751%0.51324%0.242SC..EExtended strand (participates in β ladder)trans-86.3115.1165.1-61.8-170.6174.6-171.40109.1K418K386-K418 PolarHBondContact O-N 3.45Å; K386-K418 VanDerWaalsContact O-N 3.16Å
387I94.8Very high91Very high1 Ų146 Ų461%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-122.6112.6-174.4-58.4177.9000107.7S184 F185 S186 R382 K385 V419 F421 L471S184-I387 PolarHBondContact O-N 3.29Å; F185-I387 CarbonylContact C-O 3.59Å; F185-I387 VanDerWaalsContact CA-O 3.32Å; F185-I387 WeakPolarHBondContact CA-O 3.42Å; F185-I387 HydrophobicContact CD1-CB 3.86Å; F185-I387 HydrophobicContact CD1-CG2 4Å; F185-I387 HydrophobicContact CE1-CB 4.05Å; F185-I387 HydrophobicContact CE1-CD1 3.88Å; F185-I387 HydrophobicContact CE1-CG2 4.04Å; S186-I387 PolarHBondContact N-O 3Å; R382-I387 HydrophobicContact CB-CD1 4.42Å; R382-I387 HydrophobicContact CG-CD1 4.3Å; K385-I387 HydrophobicContact CB-CD1 4.44Å; K385-I387 HydrophobicContact CB-CG1 4.09Å; I387-V419 HydrophobicContact CG1-CB 4.29Å; I387-V419 HydrophobicContact CG2-CB 4.16Å; I387-V419 HydrophobicContact CG2-CG1 4.2Å; I387-F421 HydrophobicContact CG2-CD2 3.76Å; I387-F421 HydrophobicContact CG2-CE2 3.41Å; I387-F421 VanDerWaalsContact CG2-CE2 3.41Å; I387-F421 HydrophobicContact CG2-CZ 3.96Å; I387-L471 HydrophobicContact CD1-CD2 4.1Å
388A97Very high91.1Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-93.5166.3171.300000110.5T165 S186 T188 A412 N417 V419 F420 F421T165-A388 HydrophobicContact CG2-CB 4.48Å; S186-A388 CarbonylContact O-C 3.58Å; S186-A388 VanDerWaalsContact O-CA 3.3Å; S186-A388 WeakPolarHBondContact O-CA 3.14Å; T188-A388 HydrophobicContact CG2-CB 4.4Å; A388-A412 HydrophobicContact CB-CB 3.66Å; A388-N417 HydrophobicContact CB-CB 3.9Å; A388-N417 PolarHBondContact N-OD1 3.49Å; A388-V419 PolarHBondContact N-O 3.07Å; A388-F420 HydrophobicContact CB-CD2 3.88Å; A388-F420 HydrophobicContact CB-CE2 4.38Å; A388-F420 CarbonylContact O-C 3.58Å; A388-F420 VanDerWaalsContact O-CA 3.23Å; A388-F420 WeakPolarHBondContact O-CA 3.39Å; A388-F421 PolarHBondContact O-N 2.69Å
389G96Very high91.5Very high0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans178-175.1167.700000113S186 M367 F421S186-G389 PolarHBondContact O-N 3.43Å; S186-G389 VanDerWaalsContact O-N 3.11Å; M367-G389 VanDerWaalsContact CG-C 3.49Å; M367-G389 WeakPolarHBondContact CG-O 3.28Å; M367-G389 VanDerWaalsContact SD-CA 3.51Å; G389-F421 WeakPolarHBondContact CA-O 3.44Å
390T96.1Very high91.7Very high1 Ų137.5 Ų37.51%0.00620%0.199CC..  trans-158163.2178.4-166.20000109.6S363 I402 I405 K408 F420 F421 P423S363-T390 PolarHBondContact O-OG1 2.84Å; T390-I402 HydrophobicContact CG2-CD1 3.92Å; T390-I402 HydrophobicContact CG2-CG1 3.68Å; T390-I405 HydrophobicContact CG2-CD1 3.91Å; T390-I405 HydrophobicContact CG2-CG1 4.24Å; T390-K408 HydrophobicContact CG2-CD 4.02Å; T390-K408 PolarHBondContact OG1-NZ 3.17Å; T390-F420 HydrophobicContact CG2-CE1 4.06Å; T390-F420 HydrophobicContact CG2-CZ 3.84Å; T390-F421 PolarHBondContact N-O 2.85Å; T390-P423 WeakPolarHBondContact O-CD 3.45Å
391G94.9Very high92Very high0 Ų037.8 Ų37.80%020%0.195CC..  trans153.1138.1175.700000109.8S363 G365 L366S363-G391 CarbonylContact C-O 3.53Å; S363-G391 PolarHBondContact O-N 3.35Å; G365-G391 PolarHBondContact N-O 3.07Å; L366-G391 PolarHBondContact N-O 2.99Å
392T94.8Very high92.3Very high34 Ų3437.6 Ų37.621%0.20919%0.194CC..EExtended strand (participates in β ladder)trans-69.6162.616566.30000109P362 V399 G400 I402P362-T392 HydrophobicContact CB-CG2 3.83Å; P362-T392 HydrophobicContact CG-CG2 3.78Å; T392-V399 VanDerWaalsContact O-CA 3.31Å; T392-V399 WeakPolarHBondContact O-CA 3.36Å; T392-G400 PolarHBondContact N-O 3.41Å; T392-G400 PolarHBondContact O-N 3.5Å; T392-G400 WeakPolarHBondContact OG1-CA 3.45Å; T392-G400 PolarHBondContact OG1-N 2.96Å; T392-I402 HydrophobicContact CG2-CG2 3.9Å
393I93.7Very high92.3Very high7 Ų740.3 Ų40.34%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-139.8137.5171.4-160.5168.3000108.9F240 A241 Q244 T369 E398 E464F240-I393 HydrophobicContact CB-CG2 3.96Å; F240-I393 VanDerWaalsContact CB-O 3.31Å; F240-I393 WeakPolarHBondContact CB-O 3.49Å; F240-I393 WeakPolarHBondContact CD2-O 3.45Å; A241-I393 HydrophobicContact CB-CG2 4.39Å; Q244-I393 HydrophobicContact CB-CD1 3.88Å; Q244-I393 HydrophobicContact CG-CD1 3.6Å; Q244-I393 HydrophobicContact CG-CG1 3.92Å; T369-I393 HydrophobicContact CG2-CD1 4.15Å; T369-I393 WeakPolarHBondContact OG1-CD1 3.15Å; I393-E398 WeakPolarHBondContact CA-O 3.44Å; I393-E464 HydrophobicContact CD1-CB 4.26Å
394N90.4Very high92.6Very high41 Ų4137.4 Ų37.422%0.21921%0.213CC..  trans-104.4-178.8177.767.38.2000112.1Q244 E396 G397 E398Q244-N394 PolarHBondContact NE2-O 2.98Å; N394-E396 VanDerWaalsContact CG-OE2 3.27Å; N394-E396 PolarHBondContact ND2-OE2 2.91Å; N394-E396 PolarHBondContact O-N 3.18Å; N394-E396 WeakPolarHBondContact OD1-CA 3.21Å; N394-E396 PolarHBondContact OD1-N 2.96Å; N394-G397 PolarHBondContact O-N 3.08Å; N394-G397 VanDerWaalsContact O-N 3.16Å; N394-G397 PolarHBondContact OD1-N 3.41Å; N394-E398 PolarHBondContact N-O 2.72Å; N394-E398 PolarHBondContact ND2-OE2 2.65Å; N394-E398 PolarHBondContact OD1-N 3.41Å
395S87.5Confident93Very high38 Ų3835.7 Ų35.727%0.26620%0.195SC..THydrogen-bonded Turntrans-64.2-18.8176.743.10000113.5Q244 K247Q244-S395 PolarHBondContact NE2-O 3.16Å; K247-S395 PolarHBondContact NZ-O 3.26Å
396E88.9Confident93.3Very high122 Ų12233.8 Ų33.857%0.5719%0.189SC*.THydrogen-bonded Turntrans-90.8-6.7177.5-63.665.9-132.700113.1N394 E398N394-E396 VanDerWaalsContact CG-OE2 3.27Å; N394-E396 PolarHBondContact ND2-OE2 2.91Å; N394-E396 PolarHBondContact O-N 3.18Å; N394-E396 WeakPolarHBondContact OD1-CA 3.21Å; N394-E396 PolarHBondContact OD1-N 2.96Å; E396-E398 VanDerWaalsContact C-N 3.34Å; E396-E398 HydrophobicContact CB-CG 4.15Å
397G90.5Very high93.5Very high0 Ų028.2 Ų28.20%017%0.165CC..  trans85.63.3-178.400000114.4N394 T463 E464N394-G397 PolarHBondContact O-N 3.08Å; N394-G397 VanDerWaalsContact O-N 3.16Å; N394-G397 PolarHBondContact OD1-N 3.41Å; G397-T463 WeakPolarHBondContact O-CA 3.31Å; G397-E464 VanDerWaalsContact C-OE2 3.25Å; G397-E464 VanDerWaalsContact CA-OE2 3.28Å; G397-E464 WeakPolarHBondContact CA-OE2 3.42Å; G397-E464 PolarHBondContact O-N 2.76Å; G397-E464 VanDerWaalsContact O-N 3.11Å
398E93.5Very high93.6Very high111 Ų11128.3 Ų28.352%0.51917%0.165SC..BIsolated β-bridgetrans-71.6135.4178.4-54175.413900110.5I393 N394 E396I393-E398 WeakPolarHBondContact CA-O 3.44Å; N394-E398 PolarHBondContact N-O 2.72Å; N394-E398 PolarHBondContact ND2-OE2 2.65Å; N394-E398 PolarHBondContact OD1-N 3.41Å; E396-E398 VanDerWaalsContact C-N 3.34Å; E396-E398 HydrophobicContact CB-CG 4.15Å
399V95Very high93.6Very high8 Ų828.3 Ų28.35%0.04817%0.165CC..EExtended strand (participates in β ladder)trans-93.8116.1178.7179.60000109.1L366 T392 P423 V461 K462L366-V399 HydrophobicContact CD1-CG2 3.62Å; L366-V399 HydrophobicContact CD2-CG1 4.09Å; L366-V399 HydrophobicContact CD2-CG2 4.49Å; T392-V399 VanDerWaalsContact O-CA 3.31Å; T392-V399 WeakPolarHBondContact O-CA 3.36Å; V399-P423 HydrophobicContact CG1-CB 4.04Å; V399-P423 HydrophobicContact CG1-CG 4.04Å; V399-V461 HydrophobicContact CB-CG1 4.37Å; V399-V461 HydrophobicContact CG2-CG1 3.83Å; V399-K462 PolarHBondContact N-O 2.69Å
400G92.3Very high93.6Very high23 Ų2328.8 Ų28.824%0.23717%0.169CC..EExtended strand (participates in β ladder)trans-98.1166.5-174.700000114.5T392 P423T392-G400 PolarHBondContact N-O 3.41Å; T392-G400 PolarHBondContact O-N 3.5Å; T392-G400 WeakPolarHBondContact OG1-CA 3.45Å; T392-G400 PolarHBondContact OG1-N 2.96Å; G400-P423 WeakPolarHBondContact O-CB 3.41Å; G400-P423 VanDerWaalsContact O-CG 3.28Å; G400-P423 WeakPolarHBondContact O-CG 3.32Å
401R93.5Very high93.6Very high72 Ų7229 Ų2927%0.27217%0.17SC..PPolyproline II helixtrans-58.1147.5174.1171.1174-68.8-100.4-5.2112.1D425 K439 N441 E444R401-D425 HydrophobicContact CB-CB 4.16Å; R401-D425 IonicContact CZ-OD2 2.66Å; R401-D425 IonicContact NE-OD2 3.78Å; R401-D425 PolarHBondContact NE-OD2 3.38Å; R401-D425 IonicContact NH2-OD1 3.96Å; R401-D425 IonicContact NH2-OD2 2.72Å; R401-D425 PolarHBondContact NH2-OD2 3.17Å; R401-K439 PolarHBondContact NH1-O 3.39Å; R401-K439 PolarHBondContact NH2-O 3.01Å; R401-N441 WeakPolarHBondContact CA-OD1 3.48Å; R401-E444 IonicContact NH1-OE1 3.87Å
402I93.1Very high93.7Very high13 Ų1329 Ų297%0.06717%0.17CC..  trans-127.2165.6172.560.177.4000110.7T390 T392 I405 K408 P423 N441T390-I402 HydrophobicContact CG2-CD1 3.92Å; T390-I402 HydrophobicContact CG2-CG1 3.68Å; T392-I402 HydrophobicContact CG2-CG2 3.9Å; I402-I405 HydrophobicContact CD1-CB 3.5Å; I402-I405 VanDerWaalsContact CD1-CB 3.5Å; I402-I405 HydrophobicContact CD1-CD1 3.99Å; I402-I405 HydrophobicContact CD1-CG1 3.89Å; I402-I405 HydrophobicContact CG1-CD1 4.36Å; I402-K408 HydrophobicContact CD1-CD 3.6Å; I402-K408 HydrophobicContact CG1-CD 4.49Å; I402-P423 HydrophobicContact CG1-CG 4.39Å; I402-N441 WeakPolarHBondContact CG1-OD1 3.28Å; I402-N441 PolarHBondContact N-OD1 2.98Å; I402-N441 PolarHBondContact O-ND2 3.17Å; I402-N441 PolarHBondContact O-OD1 3.22Å; I402-N441 VanDerWaalsContact O-OD1 3.13Å
403G89.6Confident93.8Very high58 Ų5828.1 Ų28.160%0.59817%0.167SC*.SBendtrans-91.6150.9171.600000112.7
404G92Very high93.7Very high14 Ų1431.8 Ų31.814%0.14420%0.198CC..  trans64.938.2174.500000114.7D406 K407 K408G404-D406 VanDerWaalsContact C-N 3.28Å; G404-D406 VanDerWaalsContact C-OD1 3.28Å; G404-D406 PolarHBondContact O-N 3.34Å; G404-K407 WeakPolarHBondContact O-CB 3.21Å; G404-K407 PolarHBondContact O-N 2.91Å; G404-K408 WeakPolarHBondContact O-CG 3.2Å; G404-K408 PolarHBondContact O-N 3.49Å
405I96.4Very high93.8Very high1 Ų132.2 Ų32.21%0.00520%0.204CC..Hα-helixtrans-66-31.6-176.5-161.8153.3000113.3T390 I402 K408 V409 F420 A422 N441 E444 A445T390-I405 HydrophobicContact CG2-CD1 3.91Å; T390-I405 HydrophobicContact CG2-CG1 4.24Å; I402-I405 HydrophobicContact CD1-CB 3.5Å; I402-I405 VanDerWaalsContact CD1-CB 3.5Å; I402-I405 HydrophobicContact CD1-CD1 3.99Å; I402-I405 HydrophobicContact CD1-CG1 3.89Å; I402-I405 HydrophobicContact CG1-CD1 4.36Å; I405-K408 PolarHBondContact O-N 3.06Å; I405-V409 HydrophobicContact CG1-CG2 4.47Å; I405-V409 WeakPolarHBondContact O-CB 3.37Å; I405-V409 VanDerWaalsContact O-CG2 3.29Å; I405-V409 WeakPolarHBondContact O-CG2 2.8Å; I405-V409 PolarHBondContact O-N 3.37Å; I405-F420 HydrophobicContact CD1-CE1 4.34Å; I405-F420 HydrophobicContact CG1-CE1 4.29Å; I405-A422 HydrophobicContact CD1-CB 3.96Å; I405-N441 HydrophobicContact CD1-CB 3.64Å; I405-N441 HydrophobicContact CG2-CB 4.42Å; I405-E444 HydrophobicContact CG2-CB 3.52Å; I405-E444 WeakPolarHBondContact CG2-OE2 3.38Å; I405-A445 HydrophobicContact CD1-CB 4.13Å; I405-A445 HydrophobicContact CG1-CB 4.11Å
406D96.3Very high93.9Very high47 Ų4736.1 Ų36.125%0.25122%0.222SC..Hα-helixtrans-59.4-47.4172.162.6-39000111.5F208 G404 K408 V409 A410 A448F208-D406 HydrophobicContact CD1-CB 3.85Å; F208-D406 HydrophobicContact CE1-CB 4.07Å; G404-D406 VanDerWaalsContact C-N 3.28Å; G404-D406 VanDerWaalsContact C-OD1 3.28Å; G404-D406 PolarHBondContact O-N 3.34Å; D406-K408 PolarHBondContact O-N 2.95Å; D406-V409 PolarHBondContact O-N 3.4Å; D406-A410 PolarHBondContact O-N 3.43Å; D406-A448 HydrophobicContact CB-CB 3.97Å
407K96.5Very high94Very high1 Ų130.5 Ų30.50%0.00420%0.196CC..Hα-helixtrans-62.1-42.8176.1-49.9-173.8-177.487.10111.1E160 P162 V190 F208 E210 G404 A410 S411E160-K407 HydrophobicContact CB-CD 3.83Å; E160-K407 VanDerWaalsContact CB-CE 3.46Å; E160-K407 IonicContact OE2-NZ 3.99Å; E160-K407 PolarHBondContact OE2-NZ 2.7Å; P162-K407 HydrophobicContact CG-CB 4.45Å; V190-K407 HydrophobicContact CG1-CD 3.94Å; V190-K407 HydrophobicContact CG2-CB 4.25Å; F208-K407 HydrophobicContact CB-CG 4.37Å; F208-K407 WeakPolarHBondContact O-CD 3.01Å; F208-K407 WeakPolarHBondContact O-CE 3.43Å; F208-K407 WeakPolarHBondContact O-CG 2.95Å; E210-K407 IonicContact OE2-NZ 2.64Å; E210-K407 PolarHBondContact OE2-NZ 2.91Å; G404-K407 WeakPolarHBondContact O-CB 3.21Å; G404-K407 PolarHBondContact O-N 2.91Å; K407-A410 WeakPolarHBondContact O-CB 3.43Å; K407-A410 PolarHBondContact O-N 2.87Å; K407-S411 PolarHBondContact O-N 3.2Å; K407-S411 PolarHBondContact O-OG 3.48Å
408K97.4Very high94Very high4 Ų434.7 Ų34.72%0.01721%0.214CC..Hα-helixtrans-64.4-40.6176.3-74.8166173.8-86.10113T188 V190 S363 T390 I402 G404 I405 D406 A410 S411 A412 F420T188-K408 WeakPolarHBondContact CG2-O 3.3Å; T188-K408 PolarHBondContact O-NZ 3.48Å; T188-K408 WeakPolarHBondContact OG1-CB 3.41Å; T188-K408 WeakPolarHBondContact OG1-CG 3.49Å; V190-K408 HydrophobicContact CG2-CD 4.49Å; V190-K408 HydrophobicContact CG2-CG 4.04Å; S363-K408 PolarHBondContact OG-NZ 2.83Å; T390-K408 HydrophobicContact CG2-CD 4.02Å; T390-K408 PolarHBondContact OG1-NZ 3.17Å; I402-K408 HydrophobicContact CD1-CD 3.6Å; I402-K408 HydrophobicContact CG1-CD 4.49Å; G404-K408 WeakPolarHBondContact O-CG 3.2Å; G404-K408 PolarHBondContact O-N 3.49Å; I405-K408 PolarHBondContact O-N 3.06Å; D406-K408 PolarHBondContact O-N 2.95Å; K408-A410 VanDerWaalsContact C-N 3.33Å; K408-S411 PolarHBondContact O-N 3.16Å; K408-A412 PolarHBondContact O-N 2.9Å; K408-F420 HydrophobicContact CB-CZ 4.1Å
409V97.8Very high94.1Very high0 Ų029.4 Ų29.40%019%0.189CC..Hα-helixtrans-64.8-39.6173.2168.90000110.6I405 D406 A412 A413 F420 A445 A448 A449 L452 M456 I458I405-V409 HydrophobicContact CG1-CG2 4.47Å; I405-V409 WeakPolarHBondContact O-CB 3.37Å; I405-V409 VanDerWaalsContact O-CG2 3.29Å; I405-V409 WeakPolarHBondContact O-CG2 2.8Å; I405-V409 PolarHBondContact O-N 3.37Å; D406-V409 PolarHBondContact O-N 3.4Å; V409-A412 PolarHBondContact O-N 3.49Å; V409-A413 VanDerWaalsContact O-CB 3.29Å; V409-A413 WeakPolarHBondContact O-CB 3.24Å; V409-A413 PolarHBondContact O-N 3.05Å; V409-F420 HydrophobicContact CG2-CD1 3.87Å; V409-F420 HydrophobicContact CG2-CE1 3.67Å; V409-F420 HydrophobicContact CG2-CE2 4.34Å; V409-F420 HydrophobicContact CG2-CG 4.3Å; V409-F420 HydrophobicContact CG2-CZ 3.92Å; V409-A445 HydrophobicContact CG2-CB 3.75Å; V409-A448 HydrophobicContact CB-CB 4.12Å; V409-A448 HydrophobicContact CG1-CB 4Å; V409-A449 HydrophobicContact CG1-CB 4.14Å; V409-L452 HydrophobicContact CG1-CD1 4.01Å; V409-M456 HydrophobicContact CG1-CE 3.84Å; V409-I458 HydrophobicContact CG1-CD1 4.38Å; V409-I458 HydrophobicContact CG2-CD1 4.46Å
410A96.6Very high94.1Very high9 Ų929 Ų297%0.07419%0.187CC..Hα-helixtrans-60.7-45.3174.100000112.2P162 F208 D406 K407 K408 A412 A413 A414 L452P162-A410 HydrophobicContact CB-CB 4.19Å; P162-A410 HydrophobicContact CG-CB 3.95Å; F208-A410 HydrophobicContact CB-CB 4.41Å; F208-A410 HydrophobicContact CD1-CB 4.42Å; F208-A410 HydrophobicContact CD2-CB 3.85Å; F208-A410 HydrophobicContact CE2-CB 4.28Å; F208-A410 HydrophobicContact CG-CB 3.95Å; D406-A410 PolarHBondContact O-N 3.43Å; K407-A410 WeakPolarHBondContact O-CB 3.43Å; K407-A410 PolarHBondContact O-N 2.87Å; K408-A410 VanDerWaalsContact C-N 3.33Å; A410-A412 PolarHBondContact O-N 3.1Å; A410-A413 PolarHBondContact O-N 3.06Å; A410-A414 WeakPolarHBondContact O-CB 3.44Å; A410-A414 PolarHBondContact O-N 3.5Å; A410-L452 HydrophobicContact CB-CD1 3.98Å; A410-L452 HydrophobicContact CB-CD2 4.36Å
411S95.7Very high94.3Very high5 Ų527.9 Ų27.94%0.03518%0.176CC..Hα-helixtrans-59.1-46.7174.6-60.20000112.4G163 T165 K407 K408 A414 S415G163-S411 PolarHBondContact N-OG 3.26Å; G163-S411 VanDerWaalsContact N-OG 3.08Å; G163-S411 VanDerWaalsContact O-CB 3.28Å; G163-S411 WeakPolarHBondContact O-CB 3.43Å; G163-S411 PolarHBondContact O-OG 3.49Å; T165-S411 PolarHBondContact OG1-O 3.14Å; K407-S411 PolarHBondContact O-N 3.2Å; K407-S411 PolarHBondContact O-OG 3.48Å; K408-S411 PolarHBondContact O-N 3.16Å; S411-A414 PolarHBondContact O-N 3.05Å; S411-S415 PolarHBondContact O-N 3.09Å; S411-S415 PolarHBondContact O-OG 2.77Å
412A97Very high94.5Very high0 Ų024.5 Ų24.50%016%0.163CC..Hα-helixtrans-65.6-40179.700000112.8T165 T188 A388 K408 V409 A410 S415 N416 N417 F420 M456T165-A412 PolarHBondContact OG1-N 2.89Å; T188-A412 HydrophobicContact CG2-CB 3.93Å; A388-A412 HydrophobicContact CB-CB 3.66Å; K408-A412 PolarHBondContact O-N 2.9Å; V409-A412 PolarHBondContact O-N 3.49Å; A410-A412 PolarHBondContact O-N 3.1Å; A412-S415 PolarHBondContact O-N 3.34Å; A412-N416 PolarHBondContact O-N 3.31Å; A412-N417 HydrophobicContact CB-CB 4.47Å; A412-N417 PolarHBondContact O-N 2.98Å; A412-N417 PolarHBondContact O-ND2 3.34Å; A412-F420 HydrophobicContact CB-CD2 3.46Å; A412-F420 VanDerWaalsContact CB-CD2 3.46Å; A412-F420 HydrophobicContact CB-CE2 3.77Å; A412-M456 HydrophobicContact CB-CE 3.93Å; A412-M456 HydrophobicContact CB-SD 3.78Å
413A95.4Very high94.7Very high17 Ų1723.9 Ų23.914%0.1416%0.16CC..Hα-helixtrans-64.6-44.1177.200000111.5V409 A410 S415 N416 L452 T454 M456V409-A413 VanDerWaalsContact O-CB 3.29Å; V409-A413 WeakPolarHBondContact O-CB 3.24Å; V409-A413 PolarHBondContact O-N 3.05Å; A410-A413 PolarHBondContact O-N 3.06Å; A413-S415 PolarHBondContact O-N 3.16Å; A413-N416 PolarHBondContact O-N 3.27Å; A413-L452 HydrophobicContact CB-CD1 4.1Å; A413-T454 HydrophobicContact CB-CG2 4.24Å; A413-M456 HydrophobicContact CB-CE 4.2Å
414A93.2Very high94.9Very high84 Ų8423 Ų2369%0.69414%0.142SC*.Hα-helixtrans-61.3-24.6175.200000112.9A410 S411A410-A414 WeakPolarHBondContact O-CB 3.44Å; A410-A414 PolarHBondContact O-N 3.5Å; S411-A414 PolarHBondContact O-N 3.05Å
415S92Very high95Very high49 Ų4923.3 Ų23.334%0.34314%0.14SC..THydrogen-bonded Turntrans-95.312.5-179.6-53.20000114T165 S411 A412 A413 N417T165-S415 VanDerWaalsContact CB-OG 3.3Å; T165-S415 WeakPolarHBondContact CB-OG 3.25Å; T165-S415 PolarHBondContact OG1-OG 3.24Å; S411-S415 PolarHBondContact O-N 3.09Å; S411-S415 PolarHBondContact O-OG 2.77Å; A412-S415 PolarHBondContact O-N 3.34Å; A413-S415 PolarHBondContact O-N 3.16Å; S415-N417 VanDerWaalsContact C-N 3.27Å; S415-N417 PolarHBondContact O-N 3.37Å
416N89.6Confident94.8Very high121 Ų12130.8 Ų30.865%0.64718%0.175SC*.THydrogen-bonded Turntrans56.732178-69.6-33000114.9A412 A413A412-N416 PolarHBondContact O-N 3.31Å; A413-N416 PolarHBondContact O-N 3.27Å
417N91.8Very high94.6Very high3 Ų330 Ų302%0.01617%0.17CC..  trans-68.5141.6172.2-74.7-82000110.9A388 A412 S415 M456A388-N417 HydrophobicContact CB-CB 3.9Å; A388-N417 PolarHBondContact N-OD1 3.49Å; A412-N417 HydrophobicContact CB-CB 4.47Å; A412-N417 PolarHBondContact O-N 2.98Å; A412-N417 PolarHBondContact O-ND2 3.34Å; S415-N417 VanDerWaalsContact C-N 3.27Å; S415-N417 PolarHBondContact O-N 3.37Å; N417-M456 HydrophobicContact CB-SD 3.95Å; N417-M456 WeakPolarHBondContact O-CG 3.46Å
418K90.4Very high94.4Very high88 Ų8832.5 Ų32.538%0.38319%0.185SC..SBendtrans-93.1-21.5-177.8-65.8-54.5-175.2-172.90113.4K386 D455 K457K386-K418 PolarHBondContact O-N 3.45Å; K386-K418 VanDerWaalsContact O-N 3.16Å; K418-D455 IonicContact NZ-OD1 2.82Å; K418-D455 PolarHBondContact NZ-OD1 3.25Å; K418-D455 IonicContact NZ-OD2 2.7Å; K418-D455 PolarHBondContact NZ-OD2 3.01Å; K418-K457 PolarHBondContact O-N 3.37Å
419V93.8Very high94.1Very high0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-134.8139.3179.2-179.50000108.3I387 A388 F421 K457 V459 Y470 Y474I387-V419 HydrophobicContact CG1-CB 4.29Å; I387-V419 HydrophobicContact CG2-CB 4.16Å; I387-V419 HydrophobicContact CG2-CG1 4.2Å; A388-V419 PolarHBondContact N-O 3.07Å; V419-F421 HydrophobicContact CG1-CD1 4.29Å; V419-F421 HydrophobicContact CG1-CE1 3.93Å; V419-F421 HydrophobicContact CG1-CZ 4.29Å; V419-K457 WeakPolarHBondContact CA-O 3.39Å; V419-V459 HydrophobicContact CG1-CB 4.44Å; V419-V459 HydrophobicContact CG1-CG2 3.72Å; V419-Y470 HydrophobicContact CG1-CE1 4.42Å; V419-Y474 HydrophobicContact CG2-CE2 4.36Å; V419-Y474 WeakPolarHBondContact CG2-OH 3.39Å
420F96.5Very high93.7Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-124.5117170.2-169.8-89.8000110.1T188 A388 T390 I405 K408 V409 A412 A422 M456 K457 I458 V459T188-F420 HydrophobicContact CG2-CE2 4.07Å; A388-F420 HydrophobicContact CB-CD2 3.88Å; A388-F420 HydrophobicContact CB-CE2 4.38Å; A388-F420 CarbonylContact O-C 3.58Å; A388-F420 VanDerWaalsContact O-CA 3.23Å; A388-F420 WeakPolarHBondContact O-CA 3.39Å; T390-F420 HydrophobicContact CG2-CE1 4.06Å; T390-F420 HydrophobicContact CG2-CZ 3.84Å; I405-F420 HydrophobicContact CD1-CE1 4.34Å; I405-F420 HydrophobicContact CG1-CE1 4.29Å; K408-F420 HydrophobicContact CB-CZ 4.1Å; V409-F420 HydrophobicContact CG2-CD1 3.87Å; V409-F420 HydrophobicContact CG2-CE1 3.67Å; V409-F420 HydrophobicContact CG2-CE2 4.34Å; V409-F420 HydrophobicContact CG2-CG 4.3Å; V409-F420 HydrophobicContact CG2-CZ 3.92Å; A412-F420 HydrophobicContact CB-CD2 3.46Å; A412-F420 VanDerWaalsContact CB-CD2 3.46Å; A412-F420 HydrophobicContact CB-CE2 3.77Å; F420-A422 HydrophobicContact CD1-CB 4.05Å; F420-A422 HydrophobicContact CE1-CB 4.07Å; F420-M456 HydrophobicContact CB-CE 3.85Å; F420-M456 HydrophobicContact CB-CG 4.12Å; F420-M456 HydrophobicContact CB-SD 3.76Å; F420-M456 HydrophobicContact CD2-CE 4.28Å; F420-M456 HydrophobicContact CD2-SD 4.43Å; F420-M456 HydrophobicContact CG-CE 4.27Å; F420-K457 PolarHBondContact N-O 3.05Å; F420-I458 HydrophobicContact CB-CD1 3.7Å; F420-I458 HydrophobicContact CD1-CD1 4.34Å; F420-I458 HydrophobicContact CG-CD1 4.29Å; F420-I458 WeakPolarHBondContact O-CA 3.41Å; F420-V459 PolarHBondContact O-N 2.92Å
421F96.4Very high93.4Very high0 Ų049 Ų490%026%0.259CS..EExtended strand (participates in β ladder)trans-79.9120.4170.8-66-45.1000110.3F185 L366 M367 L370 I387 A388 G389 T390 V419 V459 V461 M467 Y470 L471F185-F421 HydrophobicContact CE1-CE2 4.36Å; L366-F421 HydrophobicContact CD2-CB 4.07Å; M367-F421 HydrophobicContact CE-CD2 4.43Å; M367-F421 HydrophobicContact SD-CB 4.47Å; M367-F421 HydrophobicContact SD-CD2 4.11Å; L370-F421 HydrophobicContact CD1-CD2 3.77Å; L370-F421 HydrophobicContact CD1-CE2 3.68Å; I387-F421 HydrophobicContact CG2-CD2 3.76Å; I387-F421 HydrophobicContact CG2-CE2 3.41Å; I387-F421 VanDerWaalsContact CG2-CE2 3.41Å; I387-F421 HydrophobicContact CG2-CZ 3.96Å; A388-F421 PolarHBondContact O-N 2.69Å; G389-F421 WeakPolarHBondContact CA-O 3.44Å; T390-F421 PolarHBondContact N-O 2.85Å; V419-F421 HydrophobicContact CG1-CD1 4.29Å; V419-F421 HydrophobicContact CG1-CE1 3.93Å; V419-F421 HydrophobicContact CG1-CZ 4.29Å; F421-V459 HydrophobicContact CD1-CB 3.7Å; F421-V459 HydrophobicContact CD1-CG1 3.79Å; F421-V459 HydrophobicContact CD1-CG2 4.48Å; F421-V459 HydrophobicContact CE1-CB 3.95Å; F421-V459 HydrophobicContact CE1-CG1 3.8Å; F421-V459 HydrophobicContact CE1-CG2 4.35Å; F421-V461 HydrophobicContact CB-CG2 3.85Å; F421-V461 HydrophobicContact CD1-CG2 3.8Å; F421-V461 HydrophobicContact CG-CG2 4.04Å; F421-M467 HydrophobicContact CE2-CG 4.46Å; F421-Y470 AromaticContact CE1-CD1 3.62Å; F421-Y470 HydrophobicContact CE1-CD1 3.62Å; F421-Y470 AromaticContact CE1-CE1 3.75Å; F421-Y470 HydrophobicContact CE1-CE1 3.75Å; F421-Y470 HydrophobicContact CE1-CG 4.36Å; F421-Y470 AromaticContact CZ-CD1 3.8Å; F421-Y470 HydrophobicContact CZ-CD1 3.8Å; F421-Y470 HydrophobicContact CZ-CE1 4.03Å; F421-L471 HydrophobicContact CE2-CD2 4.36Å; F421-L471 HydrophobicContact CZ-CD2 3.93Å; F421-L471 HydrophobicContact CZ-CG 4.37Å
422A97.1Very high93.2Very high0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-119.913818000000110.6I405 F420 D424 Y442 A445 I458 V459 P460 V461I405-A422 HydrophobicContact CD1-CB 3.96Å; F420-A422 HydrophobicContact CD1-CB 4.05Å; F420-A422 HydrophobicContact CE1-CB 4.07Å; A422-D424 PolarHBondContact O-N 3.17Å; A422-Y442 HydrophobicContact CB-CD2 4.46Å; A422-A445 HydrophobicContact CB-CB 3.81Å; A422-I458 HydrophobicContact CB-CG2 3.97Å; A422-V459 PolarHBondContact N-O 3.42Å; A422-P460 CarbonylContact O-C 3.5Å; A422-V461 PolarHBondContact O-N 3.23Å
423P96.8Very high92.9Very high0 Ų063 Ų630%032%0.319CS..EExtended strand (participates in β ladder)trans-57.6129.4173.5-24.835.9000111.5T390 V399 G400 I402 D425 N441 Y442 V461T390-P423 WeakPolarHBondContact O-CD 3.45Å; V399-P423 HydrophobicContact CG1-CB 4.04Å; V399-P423 HydrophobicContact CG1-CG 4.04Å; G400-P423 WeakPolarHBondContact O-CB 3.41Å; G400-P423 VanDerWaalsContact O-CG 3.28Å; G400-P423 WeakPolarHBondContact O-CG 3.32Å; I402-P423 HydrophobicContact CG1-CG 4.39Å; P423-D425 VanDerWaalsContact C-N 3.34Å; P423-D425 PolarHBondContact O-N 3.39Å; P423-N441 HydrophobicContact CB-CB 4.16Å; P423-N441 CarbonylContact O-C 3.53Å; P423-N441 WeakPolarHBondContact O-CB 3.49Å; P423-Y442 WeakPolarHBondContact O-CB 3.28Å; P423-Y442 PolarHBondContact O-N 3.03Å; P423-V461 WeakPolarHBondContact CA-O 3.43Å
424D95.5Very high92.4Very high41 Ų4166.5 Ų66.522%0.21935%0.348CS..  trans-101.660.7171.2-172.534.8000109.5A422 P460 V461 K462A422-D424 PolarHBondContact O-N 3.17Å; D424-P460 HydrophobicContact CB-CB 3.67Å; D424-V461 PolarHBondContact N-O 3.06Å; D424-K462 HydrophobicContact CB-CG 3.85Å; D424-K462 WeakPolarHBondContact O-CE 3.48Å; D424-K462 WeakPolarHBondContact OD2-CE 3.03Å; D424-K462 IonicContact OD2-NZ 2.77Å
425D93.2Very high92.2Very high19 Ų1967.9 Ų67.910%0.10234%0.34CS..  trans-69.3148.9-173.766.8-67.7000112.5R401 P423 N441R401-D425 HydrophobicContact CB-CB 4.16Å; R401-D425 IonicContact CZ-OD2 2.66Å; R401-D425 IonicContact NE-OD2 3.78Å; R401-D425 PolarHBondContact NE-OD2 3.38Å; R401-D425 IonicContact NH2-OD1 3.96Å; R401-D425 IonicContact NH2-OD2 2.72Å; R401-D425 PolarHBondContact NH2-OD2 3.17Å; P423-D425 VanDerWaalsContact C-N 3.34Å; P423-D425 PolarHBondContact O-N 3.39Å; D425-N441 WeakPolarHBondContact OD1-CB 3.4Å; D425-N441 PolarHBondContact OD1-N 2.94Å
426E91.9Very high92Very high159 Ų15971.1 Ų71.174%0.74336%0.36SS*.  trans-79.6128.3177.2-174.5175.7171.300111.4T428E426-T428 PolarHBondContact O-N 3.25Å
427I92.7Very high92Very high29 Ų2968.2 Ų68.215%0.14936%0.359CS..  trans-84.7105.8173.1-51.7-55.4000110.4M431 K432 I438 K439I427-M431 HydrophobicContact CD1-CE 3.86Å; I427-M431 HydrophobicContact CG2-CB 4.2Å; I427-K432 HydrophobicContact CG2-CD 4.09Å; I427-K432 VanDerWaalsContact CG2-CE 3.41Å; I427-K432 HydrophobicContact CG2-CG 3.51Å; I427-I438 HydrophobicContact CD1-CG1 4.46Å; I427-I438 HydrophobicContact CG2-CG2 3.54Å; I427-K439 WeakPolarHBondContact CD1-O 3.33Å
428T91.6Very high91.9Very high54 Ų5469.2 Ų69.233%0.33136%0.364SS..  trans-69.9163.6177.871.10000112.6E426 E430 M431 K432E426-T428 PolarHBondContact O-N 3.25Å; T428-E430 WeakPolarHBondContact CB-OE2 3.4Å; T428-E430 PolarHBondContact O-N 2.78Å; T428-M431 HydrophobicContact CG2-SD 4.11Å; T428-M431 PolarHBondContact O-N 2.99Å; T428-M431 VanDerWaalsContact OG1-CG 3.24Å; T428-M431 WeakPolarHBondContact OG1-CG 3.48Å; T428-M431 PolarHBondContact OG1-N 3.26Å; T428-M431 PolarHBondContact OG1-SD 2.67Å; T428-K432 PolarHBondContact O-N 3.5Å; T428-K432 VanDerWaalsContact O-N 3.15Å
429K92.3Very high92.1Very high177 Ų17770 Ų7077%0.7737%0.367SS*.Hα-helixtrans-65.4-34.1177.1-70.2178.7-178.9172.50111.3K432 K433K429-K432 PolarHBondContact O-N 3.3Å; K429-K433 WeakPolarHBondContact O-CB 3.43Å; K429-K433 PolarHBondContact O-N 2.87Å
430E89.6Confident92.2Very high135 Ų13570.3 Ų70.363%0.63137%0.37SS*.Hα-helixtrans-64.8-45177.7-64.567.9-150.300110.4T428 K433 A434T428-E430 WeakPolarHBondContact CB-OE2 3.4Å; T428-E430 PolarHBondContact O-N 2.78Å; E430-K433 WeakPolarHBondContact O-CB 3.44Å; E430-K433 PolarHBondContact O-N 2.94Å; E430-A434 PolarHBondContact O-N 3.38Å
431M89.4Confident92.2Very high48 Ų4870.3 Ų70.324%0.23637%0.37CS..Hα-helixtrans-60.9-47.1175-73.4165.872.400111.8I427 T428 K433 A434 Q435 I438I427-M431 HydrophobicContact CD1-CE 3.86Å; I427-M431 HydrophobicContact CG2-CB 4.2Å; T428-M431 HydrophobicContact CG2-SD 4.11Å; T428-M431 PolarHBondContact O-N 2.99Å; T428-M431 VanDerWaalsContact OG1-CG 3.24Å; T428-M431 WeakPolarHBondContact OG1-CG 3.48Å; T428-M431 PolarHBondContact OG1-N 3.26Å; T428-M431 PolarHBondContact OG1-SD 2.67Å; M431-K433 VanDerWaalsContact C-N 3.26Å; M431-K433 PolarHBondContact O-N 3.48Å; M431-A434 PolarHBondContact O-N 3.22Å; M431-Q435 PolarHBondContact O-N 3.18Å; M431-I438 HydrophobicContact CB-CD1 4.24Å; M431-I438 HydrophobicContact CB-CG2 4.42Å; M431-I438 HydrophobicContact CE-CD1 3.63Å
432K91.2Very high92.2Very high114 Ų11472.7 Ų72.750%0.49638%0.379SS..Hα-helixtrans-63.8-32.1176.1-69.1-177.1-178.6177.80112.8I427 T428 K429 Q435 P436 I438I427-K432 HydrophobicContact CG2-CD 4.09Å; I427-K432 VanDerWaalsContact CG2-CE 3.41Å; I427-K432 HydrophobicContact CG2-CG 3.51Å; T428-K432 PolarHBondContact O-N 3.5Å; T428-K432 VanDerWaalsContact O-N 3.15Å; K429-K432 PolarHBondContact O-N 3.3Å; K432-Q435 CarbonylContact O-C 3.55Å; K432-Q435 VanDerWaalsContact O-C 3.28Å; K432-P436 WeakPolarHBondContact O-CA 3.38Å; K432-P436 VanDerWaalsContact O-N 3.15Å; K432-I438 HydrophobicContact CG-CG2 4.1Å
433K91.2Very high92.2Very high184 Ų18477 Ų7780%0.840%0.399SS*.Hα-helixtrans-69.7-38.9176.8-172.6-178.8177.5-174.40111.5K429 E430 M431K429-K433 WeakPolarHBondContact O-CB 3.43Å; K429-K433 PolarHBondContact O-N 2.87Å; E430-K433 WeakPolarHBondContact O-CB 3.44Å; E430-K433 PolarHBondContact O-N 2.94Å; M431-K433 VanDerWaalsContact C-N 3.26Å; M431-K433 PolarHBondContact O-N 3.48Å
434A85.1Confident92.2Very high91 Ų9179.5 Ų79.575%0.75241%0.411SS*.Hα-helixtrans-72.2-40175.900000112E430 M431E430-A434 PolarHBondContact O-N 3.38Å; M431-A434 PolarHBondContact O-N 3.22Å
435Q87.5Confident92.4Very high113 Ų11377.6 Ų77.653%0.52840%0.4SS..  trans-138.193.3-178.8-172.6-179.11000110.1M431 K432 G437 I438M431-Q435 PolarHBondContact O-N 3.18Å; K432-Q435 CarbonylContact O-C 3.55Å; K432-Q435 VanDerWaalsContact O-C 3.28Å; Q435-G437 PolarHBondContact O-N 2.95Å; Q435-I438 HydrophobicContact CB-CB 4.08Å; Q435-I438 HydrophobicContact CG-CB 4.04Å; Q435-I438 WeakPolarHBondContact O-CB 3.41Å; Q435-I438 WeakPolarHBondContact O-CG2 3.5Å; Q435-I438 PolarHBondContact O-N 2.94Å
436P88.2Confident92.6Very high117 Ų11780.7 Ų80.776%0.7641%0.413SS*.THydrogen-bonded Turntrans-57.3-25.7-174.8-29.736.7000115.8K432K432-P436 WeakPolarHBondContact O-CA 3.38Å; K432-P436 VanDerWaalsContact O-N 3.15Å
437G89.1Confident92.8Very high60 Ų6075.2 Ų75.262%0.61940%0.395SS*.THydrogen-bonded Turntrans-96.17.9179.300000115.3Q435 K439Q435-G437 PolarHBondContact O-N 2.95Å; G437-K439 PolarHBondContact O-N 2.67Å
438I91.2Very high93Very high25 Ų2574 Ų7413%0.12839%0.389CS..  trans-62.3135.6-177-165.6169.8000111.4I427 M431 K432 Q435I427-I438 HydrophobicContact CD1-CG1 4.46Å; I427-I438 HydrophobicContact CG2-CG2 3.54Å; M431-I438 HydrophobicContact CB-CD1 4.24Å; M431-I438 HydrophobicContact CB-CG2 4.42Å; M431-I438 HydrophobicContact CE-CD1 3.63Å; K432-I438 HydrophobicContact CG-CG2 4.1Å; Q435-I438 HydrophobicContact CB-CB 4.08Å; Q435-I438 HydrophobicContact CG-CB 4.04Å; Q435-I438 WeakPolarHBondContact O-CB 3.41Å; Q435-I438 WeakPolarHBondContact O-CG2 3.5Å; Q435-I438 PolarHBondContact O-N 2.94Å
439K94Very high93.3Very high104 Ų10471.9 Ų71.945%0.45238%0.377SS..  trans-114.5161179.5-70.3177.5-174.21710109.5R401 I427 G437 E443 E444R401-K439 PolarHBondContact NH1-O 3.39Å; R401-K439 PolarHBondContact NH2-O 3.01Å; I427-K439 WeakPolarHBondContact CD1-O 3.33Å; G437-K439 PolarHBondContact O-N 2.67Å; K439-E443 HydrophobicContact CB-CB 3.98Å; K439-E443 HydrophobicContact CD-CB 4.49Å; K439-E444 HydrophobicContact CB-CG 3.87Å
440S95.6Very high93.5Very high7 Ų771.7 Ų71.75%0.04938%0.376CS..  trans-65.5154.1168.875.80000110.4Y442 E443 E444S440-Y442 PolarHBondContact O-N 2.85Å; S440-E443 PolarHBondContact N-OE2 3.04Å; S440-E443 WeakPolarHBondContact O-CA 3.29Å; S440-E443 WeakPolarHBondContact O-CB 3.4Å; S440-E443 PolarHBondContact O-N 3.11Å; S440-E443 WeakPolarHBondContact OG-CG 3.42Å; S440-E443 PolarHBondContact OG-N 3.11Å; S440-E444 PolarHBondContact O-N 3.41Å
441N96.8Very high93.8Very high0 Ų071.5 Ų71.50%038%0.375CS..Hα-helixtrans-57.2-35.6174.2-94.3178.3000111.3R401 I402 I405 P423 D425 E443 E444 A445R401-N441 WeakPolarHBondContact CA-OD1 3.48Å; I402-N441 WeakPolarHBondContact CG1-OD1 3.28Å; I402-N441 PolarHBondContact N-OD1 2.98Å; I402-N441 PolarHBondContact O-ND2 3.17Å; I402-N441 PolarHBondContact O-OD1 3.22Å; I402-N441 VanDerWaalsContact O-OD1 3.13Å; I405-N441 HydrophobicContact CD1-CB 3.64Å; I405-N441 HydrophobicContact CG2-CB 4.42Å; P423-N441 HydrophobicContact CB-CB 4.16Å; P423-N441 CarbonylContact O-C 3.53Å; P423-N441 WeakPolarHBondContact O-CB 3.49Å; D425-N441 WeakPolarHBondContact OD1-CB 3.4Å; D425-N441 PolarHBondContact OD1-N 2.94Å; N441-E443 PolarHBondContact O-N 3.17Å; N441-E444 PolarHBondContact ND2-OE2 2.7Å; N441-E444 PolarHBondContact O-N 3.35Å; N441-A445 WeakPolarHBondContact O-CB 3.42Å; N441-A445 PolarHBondContact O-N 3.23Å
442Y97.4Very high94.1Very high50 Ų5072 Ų7220%0.19638%0.379CS..Hα-helixtrans-61.8-40.4172.4171.7-125.5000112.9A422 P423 S440 K446 I458 P460A422-Y442 HydrophobicContact CB-CD2 4.46Å; P423-Y442 WeakPolarHBondContact O-CB 3.28Å; P423-Y442 PolarHBondContact O-N 3.03Å; S440-Y442 PolarHBondContact O-N 2.85Å; Y442-K446 HydrophobicContact CD2-CD 4.41Å; Y442-K446 HydrophobicContact CD2-CG 4.29Å; Y442-K446 HydrophobicContact CE1-CD 4.01Å; Y442-K446 VanDerWaalsContact CE1-NZ 3.31Å; Y442-K446 HydrophobicContact CE2-CD 3.76Å; Y442-K446 HydrophobicContact CE2-CG 3.85Å; Y442-K446 WeakPolarHBondContact O-CE 3.47Å; Y442-K446 WeakPolarHBondContact O-CG 3.46Å; Y442-K446 PolarHBondContact O-N 3.1Å; Y442-I458 HydrophobicContact CD2-CG2 3.75Å; Y442-I458 HydrophobicContact CE2-CB 4.38Å; Y442-I458 HydrophobicContact CE2-CG2 3.8Å; Y442-P460 HydrophobicContact CD1-CB 3.84Å; Y442-P460 HydrophobicContact CD2-CB 3.82Å; Y442-P460 HydrophobicContact CD2-CG 4.47Å; Y442-P460 HydrophobicContact CE1-CB 3.9Å; Y442-P460 HydrophobicContact CE1-CG 4.07Å; Y442-P460 HydrophobicContact CE2-CB 3.92Å; Y442-P460 HydrophobicContact CE2-CG 4.06Å; Y442-P460 HydrophobicContact CG-CB 3.79Å
443E97.1Very high94.3Very high91 Ų9174.7 Ų74.743%0.42539%0.391SS..Hα-helixtrans-68-41.7175.9-72.8178.8147.100112.7K439 S440 N441 K446 A447K439-E443 HydrophobicContact CB-CB 3.98Å; K439-E443 HydrophobicContact CD-CB 4.49Å; S440-E443 PolarHBondContact N-OE2 3.04Å; S440-E443 WeakPolarHBondContact O-CA 3.29Å; S440-E443 WeakPolarHBondContact O-CB 3.4Å; S440-E443 PolarHBondContact O-N 3.11Å; S440-E443 WeakPolarHBondContact OG-CG 3.42Å; S440-E443 PolarHBondContact OG-N 3.11Å; N441-E443 PolarHBondContact O-N 3.17Å; E443-K446 PolarHBondContact O-N 3.15Å; E443-A447 PolarHBondContact O-N 3.48Å
444E96.7Very high94.4Very high52 Ų5267.8 Ų67.824%0.24336%0.364CS..Hα-helixtrans-62.6-45.3173.6-69.5167.5-168.200111R401 I405 K439 S440 N441 K446 A447 A448R401-E444 IonicContact NH1-OE1 3.87Å; I405-E444 HydrophobicContact CG2-CB 3.52Å; I405-E444 WeakPolarHBondContact CG2-OE2 3.38Å; K439-E444 HydrophobicContact CB-CG 3.87Å; S440-E444 PolarHBondContact O-N 3.41Å; N441-E444 PolarHBondContact ND2-OE2 2.7Å; N441-E444 PolarHBondContact O-N 3.35Å; E444-K446 PolarHBondContact O-N 2.92Å; E444-A447 WeakPolarHBondContact O-CB 3.3Å; E444-A447 PolarHBondContact O-N 3.08Å; E444-A447 VanDerWaalsContact O-N 3.08Å; E444-A448 PolarHBondContact O-N 3.35Å
445A97.9Very high94.8Very high0 Ų069.1 Ų69.10%036%0.358CS..Hα-helixtrans-59.8-42.8177.100000112.3I405 V409 A422 N441 A447 A448 A449 I458I405-A445 HydrophobicContact CD1-CB 4.13Å; I405-A445 HydrophobicContact CG1-CB 4.11Å; V409-A445 HydrophobicContact CG2-CB 3.75Å; A422-A445 HydrophobicContact CB-CB 3.81Å; N441-A445 WeakPolarHBondContact O-CB 3.42Å; N441-A445 PolarHBondContact O-N 3.23Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A448 PolarHBondContact O-N 3.32Å; A445-A449 WeakPolarHBondContact O-CB 3.43Å; A445-A449 PolarHBondContact O-N 3.25Å; A445-I458 HydrophobicContact CB-CG2 3.81Å
446K97.9Very high95.1Very high84 Ų8464.1 Ų64.137%0.36534%0.335SS..Hα-helixtrans-63.1-39.5173.5-78.1-178.3-65.5-177.20112.3Y442 E443 E444 K450 I458Y442-K446 HydrophobicContact CD2-CD 4.41Å; Y442-K446 HydrophobicContact CD2-CG 4.29Å; Y442-K446 HydrophobicContact CE1-CD 4.01Å; Y442-K446 VanDerWaalsContact CE1-NZ 3.31Å; Y442-K446 HydrophobicContact CE2-CD 3.76Å; Y442-K446 HydrophobicContact CE2-CG 3.85Å; Y442-K446 WeakPolarHBondContact O-CE 3.47Å; Y442-K446 WeakPolarHBondContact O-CG 3.46Å; Y442-K446 PolarHBondContact O-N 3.1Å; E443-K446 PolarHBondContact O-N 3.15Å; E444-K446 PolarHBondContact O-N 2.92Å; K446-K450 WeakPolarHBondContact O-CB 3.31Å; K446-K450 PolarHBondContact O-N 3.42Å; K446-I458 HydrophobicContact CG-CB 4.24Å; K446-I458 HydrophobicContact CG-CG2 4.28Å
447A97.1Very high95.4Very high44 Ų4462.9 Ų62.936%0.36432%0.318SS..Hα-helixtrans-64.9-46.6178.200000110.9E443 E444 A445 K450 E451E443-A447 PolarHBondContact O-N 3.48Å; E444-A447 WeakPolarHBondContact O-CB 3.3Å; E444-A447 PolarHBondContact O-N 3.08Å; E444-A447 VanDerWaalsContact O-N 3.08Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A447-K450 WeakPolarHBondContact O-CB 3.36Å; A447-K450 PolarHBondContact O-N 3.15Å; A447-E451 PolarHBondContact O-N 3.15Å
448A97Very high95.8Very high3 Ų361 Ų613%0.02529%0.293CS..Hα-helixtrans-60.2-45.7175.300000111.9F208 D406 V409 E444 A445 K450 E451 L452F208-A448 HydrophobicContact CE1-CB 3.84Å; F208-A448 HydrophobicContact CZ-CB 4.4Å; D406-A448 HydrophobicContact CB-CB 3.97Å; V409-A448 HydrophobicContact CB-CB 4.12Å; V409-A448 HydrophobicContact CG1-CB 4Å; E444-A448 PolarHBondContact O-N 3.35Å; A445-A448 PolarHBondContact O-N 3.32Å; A448-K450 VanDerWaalsContact C-N 3.28Å; A448-K450 PolarHBondContact O-N 3.3Å; A448-E451 PolarHBondContact O-N 2.85Å; A448-L452 WeakPolarHBondContact O-CB 3.3Å; A448-L452 WeakPolarHBondContact O-CD1 3.41Å; A448-L452 VanDerWaalsContact O-CG 3.29Å; A448-L452 WeakPolarHBondContact O-CG 3.23Å; A448-L452 PolarHBondContact O-N 2.97Å
449A97.1Very high95.9Very high10 Ų1060.2 Ų60.28%0.08329%0.29CS..Hα-helixtrans-60-38.6176.900000112.6V409 A445 K453 T454 I458V409-A449 HydrophobicContact CG1-CB 4.14Å; A445-A449 WeakPolarHBondContact O-CB 3.43Å; A445-A449 PolarHBondContact O-N 3.25Å; A449-K453 PolarHBondContact O-N 3.48Å; A449-K453 VanDerWaalsContact O-N 3.09Å; A449-T454 HydrophobicContact CB-CG2 3.84Å; A449-T454 WeakPolarHBondContact O-CG2 3.28Å; A449-T454 PolarHBondContact O-N 3.47Å; A449-I458 HydrophobicContact CB-CD1 3.87Å; A449-I458 HydrophobicContact CB-CG1 3.7Å
450K96.7Very high96Very high173 Ų17357.2 Ų57.275%0.75228%0.281SS*.Hα-helixtrans-67.5-42.7175.7-176.7-178.7176.9-176.20112K446 A447 A448 L452 K453K446-K450 WeakPolarHBondContact O-CB 3.31Å; K446-K450 PolarHBondContact O-N 3.42Å; A447-K450 WeakPolarHBondContact O-CB 3.36Å; A447-K450 PolarHBondContact O-N 3.15Å; A448-K450 VanDerWaalsContact C-N 3.28Å; A448-K450 PolarHBondContact O-N 3.3Å; K450-L452 VanDerWaalsContact C-N 3.33Å; K450-K453 PolarHBondContact O-N 3.43Å
451E96.1Very high95.9Very high131 Ų13156.9 Ų56.961%0.61228%0.279SS*.Hα-helixtrans-61.4-42.4176.1-177.3175.416400111.6F208 A447 A448 K453F208-E451 HydrophobicContact CZ-CB 4.36Å; F208-E451 HydrophobicContact CZ-CG 4.19Å; A447-E451 PolarHBondContact O-N 3.15Å; A448-E451 PolarHBondContact O-N 2.85Å; E451-K453 PolarHBondContact O-N 2.98Å
452L94.9Very high95.7Very high60 Ų6062.5 Ų62.531%0.31430%0.303SS..THydrogen-bonded Turntrans-72.4-12.9176.4-70162.1000114.1F208 V409 A410 A413 A448 K450 T454F208-L452 HydrophobicContact CD2-CD2 4.28Å; F208-L452 HydrophobicContact CE2-CD1 4.24Å; F208-L452 HydrophobicContact CE2-CD2 3.42Å; F208-L452 VanDerWaalsContact CE2-CD2 3.42Å; F208-L452 HydrophobicContact CE2-CG 3.72Å; F208-L452 HydrophobicContact CZ-CD1 4.04Å; F208-L452 HydrophobicContact CZ-CD2 3.97Å; F208-L452 HydrophobicContact CZ-CG 3.7Å; V409-L452 HydrophobicContact CG1-CD1 4.01Å; A410-L452 HydrophobicContact CB-CD1 3.98Å; A410-L452 HydrophobicContact CB-CD2 4.36Å; A413-L452 HydrophobicContact CB-CD1 4.1Å; A448-L452 WeakPolarHBondContact O-CB 3.3Å; A448-L452 WeakPolarHBondContact O-CD1 3.41Å; A448-L452 VanDerWaalsContact O-CG 3.29Å; A448-L452 WeakPolarHBondContact O-CG 3.23Å; A448-L452 PolarHBondContact O-N 2.97Å; K450-L452 VanDerWaalsContact C-N 3.33Å; L452-T454 HydrophobicContact CB-CG2 4.36Å; L452-T454 PolarHBondContact O-N 2.89Å
453K95.1Very high95.3Very high170 Ų17062.4 Ų62.474%0.73931%0.308SS*.THydrogen-bonded Turntrans52.934-174-55.3178-177.4175.70113.4A449 K450 E451A449-K453 PolarHBondContact O-N 3.48Å; A449-K453 VanDerWaalsContact O-N 3.09Å; K450-K453 PolarHBondContact O-N 3.43Å; E451-K453 PolarHBondContact O-N 2.98Å
454T94.4Very high94.5Very high38 Ų3859.7 Ų59.723%0.23330%0.295CS..  trans-78.8148.7-179.8-179.90000111.9A413 A449 L452 M456A413-T454 HydrophobicContact CB-CG2 4.24Å; A449-T454 HydrophobicContact CB-CG2 3.84Å; A449-T454 WeakPolarHBondContact O-CG2 3.28Å; A449-T454 PolarHBondContact O-N 3.47Å; L452-T454 HydrophobicContact CB-CG2 4.36Å; L452-T454 PolarHBondContact O-N 2.89Å; T454-M456 HydrophobicContact CG2-CB 3.9Å; T454-M456 HydrophobicContact CG2-CE 4.45Å; T454-M456 VanDerWaalsContact OG1-CB 3.26Å; T454-M456 WeakPolarHBondContact OG1-CB 3.16Å; T454-M456 PolarHBondContact OG1-N 3.01Å; T454-M456 VanDerWaalsContact OG1-N 3.12Å
455D92.8Very high93.6Very high119 Ų11958.5 Ų58.564%0.63630%0.297SS*.  trans-79.9-2.317074.6-28.6000112.9K418 K457K418-D455 IonicContact NZ-OD1 2.82Å; K418-D455 PolarHBondContact NZ-OD1 3.25Å; K418-D455 IonicContact NZ-OD2 2.7Å; K418-D455 PolarHBondContact NZ-OD2 3.01Å; D455-K457 PolarHBondContact O-N 3.2Å
456M95Very high92.4Very high9 Ų961.7 Ų61.74%0.04432%0.316CS..  trans-62126.1-179.4-175169.766.200111.6V409 A412 A413 N417 F420 T454 I458V409-M456 HydrophobicContact CG1-CE 3.84Å; A412-M456 HydrophobicContact CB-CE 3.93Å; A412-M456 HydrophobicContact CB-SD 3.78Å; A413-M456 HydrophobicContact CB-CE 4.2Å; N417-M456 HydrophobicContact CB-SD 3.95Å; N417-M456 WeakPolarHBondContact O-CG 3.46Å; F420-M456 HydrophobicContact CB-CE 3.85Å; F420-M456 HydrophobicContact CB-CG 4.12Å; F420-M456 HydrophobicContact CB-SD 3.76Å; F420-M456 HydrophobicContact CD2-CE 4.28Å; F420-M456 HydrophobicContact CD2-SD 4.43Å; F420-M456 HydrophobicContact CG-CE 4.27Å; T454-M456 HydrophobicContact CG2-CB 3.9Å; T454-M456 HydrophobicContact CG2-CE 4.45Å; T454-M456 VanDerWaalsContact OG1-CB 3.26Å; T454-M456 WeakPolarHBondContact OG1-CB 3.16Å; T454-M456 PolarHBondContact OG1-N 3.01Å; T454-M456 VanDerWaalsContact OG1-N 3.12Å; M456-I458 HydrophobicContact CE-CD1 3.94Å; M456-I458 PolarHBondContact O-N 2.83Å
457K94.6Very high91.4Very high90 Ų9057.9 Ų57.939%0.39130%0.3SS..EExtended strand (participates in β ladder)trans-80.1113.7178.1-174.8-178.9177.2-1700110.6K418 V419 F420 D455 V459 Y470K418-K457 PolarHBondContact O-N 3.37Å; V419-K457 WeakPolarHBondContact CA-O 3.39Å; F420-K457 PolarHBondContact N-O 3.05Å; D455-K457 PolarHBondContact O-N 3.2Å; K457-V459 HydrophobicContact CD-CG2 4.21Å; K457-V459 HydrophobicContact CG-CG2 4.04Å; K457-Y470 WeakPolarHBondContact CE-OH 3.39Å; K457-Y470 PolarHBondContact NZ-OH 3.46Å
458I95.9Very high90.2Very high20 Ų2057.9 Ų57.910%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-78.9125.1170.8-48.7-52.5000109.3V409 F420 A422 Y442 A445 K446 A449 M456V409-I458 HydrophobicContact CG1-CD1 4.38Å; V409-I458 HydrophobicContact CG2-CD1 4.46Å; F420-I458 HydrophobicContact CB-CD1 3.7Å; F420-I458 HydrophobicContact CD1-CD1 4.34Å; F420-I458 HydrophobicContact CG-CD1 4.29Å; F420-I458 WeakPolarHBondContact O-CA 3.41Å; A422-I458 HydrophobicContact CB-CG2 3.97Å; Y442-I458 HydrophobicContact CD2-CG2 3.75Å; Y442-I458 HydrophobicContact CE2-CB 4.38Å; Y442-I458 HydrophobicContact CE2-CG2 3.8Å; A445-I458 HydrophobicContact CB-CG2 3.81Å; K446-I458 HydrophobicContact CG-CB 4.24Å; K446-I458 HydrophobicContact CG-CG2 4.28Å; A449-I458 HydrophobicContact CB-CD1 3.87Å; A449-I458 HydrophobicContact CB-CG1 3.7Å; M456-I458 HydrophobicContact CE-CD1 3.94Å; M456-I458 PolarHBondContact O-N 2.83Å
459V94.4Very high89.3Confident9 Ų961.7 Ų61.76%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-118.8122.8-176.8177.20000109.4V419 F420 F421 A422 K457 Y470V419-V459 HydrophobicContact CG1-CB 4.44Å; V419-V459 HydrophobicContact CG1-CG2 3.72Å; F420-V459 PolarHBondContact O-N 2.92Å; F421-V459 HydrophobicContact CD1-CB 3.7Å; F421-V459 HydrophobicContact CD1-CG1 3.79Å; F421-V459 HydrophobicContact CD1-CG2 4.48Å; F421-V459 HydrophobicContact CE1-CB 3.95Å; F421-V459 HydrophobicContact CE1-CG1 3.8Å; F421-V459 HydrophobicContact CE1-CG2 4.35Å; A422-V459 PolarHBondContact N-O 3.42Å; K457-V459 HydrophobicContact CD-CG2 4.21Å; K457-V459 HydrophobicContact CG-CG2 4.04Å; V459-Y470 HydrophobicContact CG1-CD1 4.48Å; V459-Y470 HydrophobicContact CG1-CD2 3.83Å; V459-Y470 HydrophobicContact CG1-CE1 4.42Å; V459-Y470 HydrophobicContact CG1-CE2 3.77Å; V459-Y470 HydrophobicContact CG1-CG 4.19Å; V459-Y470 HydrophobicContact CG2-CE1 4.2Å; V459-Y470 HydrophobicContact CG2-CE2 3.84Å; V459-Y470 WeakPolarHBondContact CG2-OH 3.48Å
460P95.4Very high88.4Confident42 Ų4262.8 Ų62.827%0.27331%0.313SS..EExtended strand (participates in β ladder)trans-72.4135.7178.528.4-31.6000111A422 D424 Y442A422-P460 CarbonylContact O-C 3.5Å; D424-P460 HydrophobicContact CB-CB 3.67Å; Y442-P460 HydrophobicContact CD1-CB 3.84Å; Y442-P460 HydrophobicContact CD2-CB 3.82Å; Y442-P460 HydrophobicContact CD2-CG 4.47Å; Y442-P460 HydrophobicContact CE1-CB 3.9Å; Y442-P460 HydrophobicContact CE1-CG 4.07Å; Y442-P460 HydrophobicContact CE2-CB 3.92Å; Y442-P460 HydrophobicContact CE2-CG 4.06Å; Y442-P460 HydrophobicContact CG-CB 3.79Å
461V94.6Very high87.4Confident0 Ų054.5 Ų54.50%028%0.278CS..EExtended strand (participates in β ladder)trans-130.3120.4176.3-171.70000110L366 V399 F421 A422 P423 D424 T463 M467L366-V461 HydrophobicContact CD1-CG1 4.22Å; L366-V461 HydrophobicContact CD2-CB 4.18Å; L366-V461 HydrophobicContact CD2-CG1 4.08Å; L366-V461 HydrophobicContact CD2-CG2 4.29Å; V399-V461 HydrophobicContact CB-CG1 4.37Å; V399-V461 HydrophobicContact CG2-CG1 3.83Å; F421-V461 HydrophobicContact CB-CG2 3.85Å; F421-V461 HydrophobicContact CD1-CG2 3.8Å; F421-V461 HydrophobicContact CG-CG2 4.04Å; A422-V461 PolarHBondContact O-N 3.23Å; P423-V461 WeakPolarHBondContact CA-O 3.43Å; D424-V461 PolarHBondContact N-O 3.06Å; V461-T463 WeakPolarHBondContact CG1-O 3.09Å; V461-M467 HydrophobicContact CG1-CB 3.94Å
462K92.5Very high86.4Confident117 Ų11753.7 Ų53.751%0.50927%0.272SS..SBendtrans-100.2-37174.8-66.5-162.9174.4-163.70113.2V399 D424V399-K462 PolarHBondContact N-O 2.69Å; D424-K462 HydrophobicContact CB-CG 3.85Å; D424-K462 WeakPolarHBondContact O-CE 3.48Å; D424-K462 WeakPolarHBondContact OD2-CE 3.03Å; D424-K462 IonicContact OD2-NZ 2.77Å
463T89.3Confident85.2Confident48 Ų4857 Ų5729%0.29428%0.284SS..BIsolated β-bridgetrans-142.4160.7-177.168.60000108.9G397 V461 G465 V466 M467G397-T463 WeakPolarHBondContact O-CA 3.31Å; V461-T463 WeakPolarHBondContact CG1-O 3.09Å; T463-G465 PolarHBondContact O-N 3.44Å; T463-G465 PolarHBondContact OG1-N 3.49Å; T463-V466 PolarHBondContact O-N 3.08Å; T463-V466 PolarHBondContact OG1-N 3.34Å; T463-M467 PolarHBondContact O-N 3.35Å
464E78.7Confident84Confident35 Ų3549.4 Ų49.416%0.16425%0.25CS..Hα-helixtrans-56.5-30.7171.184.9-65.7176.800112.5L248 I393 G397 M467 K468L248-E464 HydrophobicContact CD1-CB 4.14Å; L248-E464 HydrophobicContact CD1-CG 3.75Å; L248-E464 HydrophobicContact CD2-CG 3.88Å; L248-E464 HydrophobicContact CG-CG 4.06Å; I393-E464 HydrophobicContact CD1-CB 4.26Å; G397-E464 VanDerWaalsContact C-OE2 3.25Å; G397-E464 VanDerWaalsContact CA-OE2 3.28Å; G397-E464 WeakPolarHBondContact CA-OE2 3.42Å; G397-E464 PolarHBondContact O-N 2.76Å; G397-E464 VanDerWaalsContact O-N 3.11Å; E464-M467 HydrophobicContact CB-CE 4.26Å; E464-M467 PolarHBondContact O-N 2.98Å; E464-K468 PolarHBondContact O-N 2.93Å
465G77.4Confident82.6Confident27 Ų2750.1 Ų50.128%0.27826%0.256SS..Hα-helixtrans-64.4-46.417500000113.9T463 M467 K468 D469T463-G465 PolarHBondContact O-N 3.44Å; T463-G465 PolarHBondContact OG1-N 3.49Å; G465-M467 PolarHBondContact O-N 3.45Å; G465-K468 PolarHBondContact O-N 3.04Å; G465-D469 PolarHBondContact O-N 3.48Å
466V74.1Confident81Confident67 Ų6752.2 Ų52.241%0.40626%0.256SS..Hα-helixtrans-58.3-40.5178.1171.80000110.8T463 D469 Y470T463-V466 PolarHBondContact O-N 3.08Å; T463-V466 PolarHBondContact OG1-N 3.34Å; V466-D469 PolarHBondContact O-N 2.71Å; V466-Y470 PolarHBondContact O-N 2.7Å
467M75.5Confident79.3Confident3 Ų355.8 Ų55.82%0.01528%0.275CS..Hα-helixtrans-68.5-45.8179.4178.1-175.467.600112.5L366 L370 F421 V461 T463 E464 G465 D469 Y470 L471L366-M467 HydrophobicContact CD1-CE 3.73Å; L366-M467 HydrophobicContact CD1-SD 3.23Å; L366-M467 WeakPolarHBondContact CD1-SD 3.02Å; L366-M467 HydrophobicContact CD2-SD 4.36Å; L366-M467 HydrophobicContact CG-SD 3.82Å; L370-M467 HydrophobicContact CD1-CE 4.35Å; L370-M467 HydrophobicContact CD1-CG 4.12Å; L370-M467 HydrophobicContact CD1-SD 3.34Å; L370-M467 WeakPolarHBondContact CD1-SD 3.21Å; L370-M467 HydrophobicContact CD2-CE 3.27Å; L370-M467 HydrophobicContact CD2-CG 3.69Å; L370-M467 HydrophobicContact CD2-SD 3.28Å; L370-M467 WeakPolarHBondContact CD2-SD 3.33Å; L370-M467 HydrophobicContact CG-CE 3.52Å; L370-M467 HydrophobicContact CG-CG 4.18Å; L370-M467 HydrophobicContact CG-SD 3.2Å; L370-M467 WeakPolarHBondContact CG-SD 3.17Å; F421-M467 HydrophobicContact CE2-CG 4.46Å; V461-M467 HydrophobicContact CG1-CB 3.94Å; T463-M467 PolarHBondContact O-N 3.35Å; E464-M467 HydrophobicContact CB-CE 4.26Å; E464-M467 PolarHBondContact O-N 2.98Å; G465-M467 PolarHBondContact O-N 3.45Å; M467-D469 VanDerWaalsContact C-N 3.27Å; M467-D469 PolarHBondContact O-N 2.91Å; M467-Y470 WeakPolarHBondContact O-CB 3.2Å; M467-Y470 PolarHBondContact O-N 3.06Å; M467-Y470 VanDerWaalsContact O-N 3.14Å; M467-L471 HydrophobicContact CG-CD1 4.31Å; M467-L471 WeakPolarHBondContact O-CG 3.33Å; M467-L471 PolarHBondContact O-N 2.93Å
468K72.6Confident77.5Confident45 Ų4557.2 Ų57.220%0.19628%0.281CS..Hα-helixtrans-57.9-40.9174.6-179.9172.5175.7171.90111.8L248 Y373 E464 G465 K472L248-K468 HydrophobicContact CD2-CD 4.13Å; Y373-K468 HydrophobicContact CE1-CD 4.35Å; Y373-K468 HydrophobicContact CE1-CG 4.48Å; Y373-K468 WeakPolarHBondContact OH-CE 3.4Å; Y373-K468 PolarHBondContact OH-NZ 3.26Å; E464-K468 PolarHBondContact O-N 2.93Å; G465-K468 PolarHBondContact O-N 3.04Å; K468-K472 WeakPolarHBondContact O-CG 3.31Å; K468-K472 PolarHBondContact O-N 3.31Å; K468-K472 VanDerWaalsContact O-N 3.09Å
469D78.1Confident75.7Confident82 Ų8258.4 Ų58.444%0.43929%0.294SS..Hα-helixtrans-67.2-39.3176-82.4-2.6000112.5G465 V466 M467 K473G465-D469 PolarHBondContact O-N 3.48Å; V466-D469 PolarHBondContact O-N 2.71Å; M467-D469 VanDerWaalsContact C-N 3.27Å; M467-D469 PolarHBondContact O-N 2.91Å; D469-K473 WeakPolarHBondContact O-CB 3.45Å; D469-K473 WeakPolarHBondContact O-CG 3.28Å; D469-K473 PolarHBondContact O-N 3.33Å
470Y78Confident74.2Confident33 Ų3362 Ų6213%0.12932%0.316CS..Hα-helixtrans-59.3-51174.7-176.9-93.7000111.3V419 F421 K457 V459 V466 M467 K472 K473 Y474 L477V419-Y470 HydrophobicContact CG1-CE1 4.42Å; F421-Y470 AromaticContact CE1-CD1 3.62Å; F421-Y470 HydrophobicContact CE1-CD1 3.62Å; F421-Y470 AromaticContact CE1-CE1 3.75Å; F421-Y470 HydrophobicContact CE1-CE1 3.75Å; F421-Y470 HydrophobicContact CE1-CG 4.36Å; F421-Y470 AromaticContact CZ-CD1 3.8Å; F421-Y470 HydrophobicContact CZ-CD1 3.8Å; F421-Y470 HydrophobicContact CZ-CE1 4.03Å; K457-Y470 WeakPolarHBondContact CE-OH 3.39Å; K457-Y470 PolarHBondContact NZ-OH 3.46Å; V459-Y470 HydrophobicContact CG1-CD1 4.48Å; V459-Y470 HydrophobicContact CG1-CD2 3.83Å; V459-Y470 HydrophobicContact CG1-CE1 4.42Å; V459-Y470 HydrophobicContact CG1-CE2 3.77Å; V459-Y470 HydrophobicContact CG1-CG 4.19Å; V459-Y470 HydrophobicContact CG2-CE1 4.2Å; V459-Y470 HydrophobicContact CG2-CE2 3.84Å; V459-Y470 WeakPolarHBondContact CG2-OH 3.48Å; V466-Y470 PolarHBondContact O-N 2.7Å; M467-Y470 WeakPolarHBondContact O-CB 3.2Å; M467-Y470 PolarHBondContact O-N 3.06Å; M467-Y470 VanDerWaalsContact O-N 3.14Å; Y470-K472 PolarHBondContact O-N 3.09Å; Y470-K473 PolarHBondContact O-N 2.93Å; Y470-Y474 HydrophobicContact CD1-CD2 4.21Å; Y470-Y474 AromaticContact CE1-CD2 3.45Å; Y470-Y474 HydrophobicContact CE1-CD2 3.45Å; Y470-Y474 VanDerWaalsContact CE1-CD2 3.45Å; Y470-Y474 AromaticContact CE1-CE2 3.74Å; Y470-Y474 HydrophobicContact CE1-CE2 3.74Å; Y470-Y474 HydrophobicContact CE1-CG 4.45Å; Y470-Y474 HydrophobicContact CE2-CD2 4.49Å; Y470-Y474 AromaticContact CZ-CD2 3.62Å; Y470-Y474 AromaticContact CZ-CE2 3.7Å; Y470-Y474 WeakPolarHBondContact O-CB 3.26Å; Y470-Y474 PolarHBondContact O-N 2.96Å; Y470-Y474 VanDerWaalsContact OH-CE2 3.23Å; Y470-Y474 WeakPolarHBondContact OH-CE2 3.25Å; Y470-L477 HydrophobicContact CE2-CD1 4.4Å
471L75.7Confident72.5Confident0 Ų063 Ų630%032%0.322CS..Hα-helixtrans-66.2-35-177.3-67.2170.6000112.7F185 L370 L381 H383 I387 F421 M467 Y474F185-L471 HydrophobicContact CE1-CD2 4.48Å; F185-L471 HydrophobicContact CZ-CD1 4.05Å; F185-L471 HydrophobicContact CZ-CD2 4.45Å; L370-L471 HydrophobicContact CD2-CD1 3.37Å; L381-L471 HydrophobicContact CB-CB 4.15Å; L381-L471 HydrophobicContact CB-CD1 4.02Å; L381-L471 HydrophobicContact CB-CG 4.48Å; L381-L471 HydrophobicContact CD1-CD1 4.23Å; L381-L471 WeakPolarHBondContact O-CD2 3.4Å; H383-L471 PolarHBondContact NE2-O 3.19Å; I387-L471 HydrophobicContact CD1-CD2 4.1Å; F421-L471 HydrophobicContact CE2-CD2 4.36Å; F421-L471 HydrophobicContact CZ-CD2 3.93Å; F421-L471 HydrophobicContact CZ-CG 4.37Å; M467-L471 HydrophobicContact CG-CD1 4.31Å; M467-L471 WeakPolarHBondContact O-CG 3.33Å; M467-L471 PolarHBondContact O-N 2.93Å; L471-Y474 WeakPolarHBondContact O-CB 3.25Å
472K74.8Confident71.2Confident114 Ų11466.5 Ų66.550%0.49634%0.344SS..Hα-helixtrans-68-38.1172.9-76.8179.5179.1-178.80113.4K468 Y470 P475K468-K472 WeakPolarHBondContact O-CG 3.31Å; K468-K472 PolarHBondContact O-N 3.31Å; K468-K472 VanDerWaalsContact O-N 3.09Å; Y470-K472 PolarHBondContact O-N 3.09Å; K472-P475 WeakPolarHBondContact O-CD 3.38Å
473K71.5Confident70.2Confident128 Ų12865.4 Ų65.456%0.55735%0.347SS*.Hα-helixtrans-80.8-20.8-179.7-72.1174.3-175.6168.50112.7D469 Y470 Y476 L477D469-K473 WeakPolarHBondContact O-CB 3.45Å; D469-K473 WeakPolarHBondContact O-CG 3.28Å; D469-K473 PolarHBondContact O-N 3.33Å; Y470-K473 PolarHBondContact O-N 2.93Å; K473-Y476 WeakPolarHBondContact O-CB 3.44Å; K473-Y476 PolarHBondContact O-N 2.92Å; K473-L477 PolarHBondContact O-N 3.47Å
474Y69.2Low69.4Low11 Ų1168.1 Ų68.14%0.04336%0.359CS..Hα-helixtrans-48.6-45.6-175.5-156.7-105.2000115.7K385 V419 Y470 L471 Y476 L477 F478K385-Y474 HydrophobicContact CG-CE1 4.09Å; V419-Y474 HydrophobicContact CG2-CE2 4.36Å; V419-Y474 WeakPolarHBondContact CG2-OH 3.39Å; Y470-Y474 HydrophobicContact CD1-CD2 4.21Å; Y470-Y474 AromaticContact CE1-CD2 3.45Å; Y470-Y474 HydrophobicContact CE1-CD2 3.45Å; Y470-Y474 VanDerWaalsContact CE1-CD2 3.45Å; Y470-Y474 AromaticContact CE1-CE2 3.74Å; Y470-Y474 HydrophobicContact CE1-CE2 3.74Å; Y470-Y474 HydrophobicContact CE1-CG 4.45Å; Y470-Y474 HydrophobicContact CE2-CD2 4.49Å; Y470-Y474 AromaticContact CZ-CD2 3.62Å; Y470-Y474 AromaticContact CZ-CE2 3.7Å; Y470-Y474 WeakPolarHBondContact O-CB 3.26Å; Y470-Y474 PolarHBondContact O-N 2.96Å; Y470-Y474 VanDerWaalsContact OH-CE2 3.23Å; Y470-Y474 WeakPolarHBondContact OH-CE2 3.25Å; L471-Y474 WeakPolarHBondContact O-CB 3.25Å; Y474-Y476 PolarHBondContact O-N 3.23Å; Y474-L477 HydrophobicContact CD2-CD1 4.35Å; Y474-L477 PolarHBondContact O-N 2.9Å; Y474-F478 HydrophobicContact CE1-CD2 4.38Å; Y474-F478 HydrophobicContact CE1-CE2 4.07Å; Y474-F478 HydrophobicContact CE2-CE2 4.01Å; Y474-F478 AromaticContact CZ-CE2 3.62Å
475P63.8Low69.1Low54 Ų5472.9 Ų72.935%0.35138%0.383SS..Hα-helixtrans-60.3-31.217718.8-30.3000113.1K472 A479K472-P475 WeakPolarHBondContact O-CD 3.38Å; P475-A479 WeakPolarHBondContact O-CB 3.31Å; P475-A479 PolarHBondContact O-N 3.4Å
476Y60.5Low69Low163 Ų16375.6 Ų75.664%0.63939%0.39SS*.Hα-helixtrans-79-28.2179.2-54.6-78.2000113.1K473 Y474 F478 A479 V480K473-Y476 WeakPolarHBondContact O-CB 3.44Å; K473-Y476 PolarHBondContact O-N 2.92Å; Y474-Y476 PolarHBondContact O-N 3.23Å; Y476-F478 PolarHBondContact O-N 3.08Å; Y476-A479 PolarHBondContact O-N 3.45Å; Y476-V480 WeakPolarHBondContact O-CG2 3.44Å; Y476-V480 PolarHBondContact O-N 3.04Å; Y476-V480 VanDerWaalsContact O-N 3.1Å
477L58.8Low68.8Low84 Ų8475 Ų7544%0.4439%0.392SS..Hα-helixtrans-63.4-26.9-179.2-78.2165.6000113Y470 K473 Y474 P481Y470-L477 HydrophobicContact CE2-CD1 4.4Å; K473-L477 PolarHBondContact O-N 3.47Å; Y474-L477 HydrophobicContact CD2-CD1 4.35Å; Y474-L477 PolarHBondContact O-N 2.9Å; L477-P481 WeakPolarHBondContact O-CD 3.41Å; L477-P481 WeakPolarHBondContact O-CG 3.41Å
478F57.3Low68.8Low119 Ų11978.6 Ų78.652%0.52241%0.414SS..Hα-helixtrans-101.1-26.6174.5-73.3-83.9000113.5Y474 Y476 P481 V482Y474-F478 HydrophobicContact CE1-CD2 4.38Å; Y474-F478 HydrophobicContact CE1-CE2 4.07Å; Y474-F478 HydrophobicContact CE2-CE2 4.01Å; Y474-F478 AromaticContact CZ-CE2 3.62Å; Y476-F478 PolarHBondContact O-N 3.08Å; F478-P481 WeakPolarHBondContact O-CD 3.29Å; F478-V482 VanDerWaalsContact O-CG2 3.26Å; F478-V482 WeakPolarHBondContact O-CG2 3.41Å; F478-V482 PolarHBondContact O-N 3.05Å
479A58.1Low69.1Low46 Ų4683 Ų8338%0.3843%0.434SS..Hα-helixtrans-66.7-39.7175.800000112.3P475 Y476 V482 V483P475-A479 WeakPolarHBondContact O-CB 3.31Å; P475-A479 PolarHBondContact O-N 3.4Å; Y476-A479 PolarHBondContact O-N 3.45Å; A479-V482 PolarHBondContact O-N 3.41Å; A479-V483 WeakPolarHBondContact O-CB 3.43Å; A479-V483 VanDerWaalsContact O-CG2 3.28Å; A479-V483 WeakPolarHBondContact O-CG2 3.43Å; A479-V483 PolarHBondContact O-N 2.66Å
480V62.7Low68.9Low83 Ų8386 Ų8650%0.50344%0.443SS..Hα-helixtrans-65.5-47.8-176.7174.70000112.7Y476 V482 V483 L484Y476-V480 WeakPolarHBondContact O-CG2 3.44Å; Y476-V480 PolarHBondContact O-N 3.04Å; Y476-V480 VanDerWaalsContact O-N 3.1Å; V480-V482 VanDerWaalsContact C-N 3.3Å; V480-V482 PolarHBondContact O-N 3.48Å; V480-V483 PolarHBondContact O-N 2.9Å; V480-L484 HydrophobicContact CG1-CD1 3.77Å; V480-L484 HydrophobicContact CG1-CG 4.35Å; V480-L484 VanDerWaalsContact O-CB 3.32Å; V480-L484 WeakPolarHBondContact O-CB 3.19Å; V480-L484 VanDerWaalsContact O-CG 3.28Å; V480-L484 WeakPolarHBondContact O-CG 3.41Å; V480-L484 PolarHBondContact O-N 3.36Å
481P60.4Low68.7Low63 Ų6392.3 Ų92.341%0.40947%0.471SS..Hα-helixtrans-61.7-36.4174.9-21.931.7000112.9L477 F478 L484 M485L477-P481 WeakPolarHBondContact O-CD 3.41Å; L477-P481 WeakPolarHBondContact O-CG 3.41Å; F478-P481 WeakPolarHBondContact O-CD 3.29Å; P481-L484 PolarHBondContact O-N 2.89Å; P481-M485 WeakPolarHBondContact O-CB 3.29Å; P481-M485 PolarHBondContact O-N 2.81Å
482V66.9Low68.6Low75 Ų7598.9 Ų98.946%0.45551%0.506SS..Hα-helixtrans-70.5-44.3178.7173.20000111.2F478 A479 V480 L484 M485 I486F478-V482 VanDerWaalsContact O-CG2 3.26Å; F478-V482 WeakPolarHBondContact O-CG2 3.41Å; F478-V482 PolarHBondContact O-N 3.05Å; A479-V482 PolarHBondContact O-N 3.41Å; V480-V482 VanDerWaalsContact C-N 3.3Å; V480-V482 PolarHBondContact O-N 3.48Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 2.86Å; V482-M485 PolarHBondContact O-N 3.22Å; V482-I486 HydrophobicContact CG1-CD1 3.76Å; V482-I486 HydrophobicContact CG1-CG1 4.4Å; V482-I486 WeakPolarHBondContact O-CB 3.49Å; V482-I486 WeakPolarHBondContact O-CG1 3.36Å; V482-I486 PolarHBondContact O-N 2.84Å
483V70.9Confident68.1Low94 Ų9496.3 Ų96.357%0.5751%0.506SS*.Hα-helixtrans-64.5-38.4174.6173.70000110.9A479 V480 I486 A487A479-V483 WeakPolarHBondContact O-CB 3.43Å; A479-V483 VanDerWaalsContact O-CG2 3.28Å; A479-V483 WeakPolarHBondContact O-CG2 3.43Å; A479-V483 PolarHBondContact O-N 2.66Å; V480-V483 PolarHBondContact O-N 2.9Å; V483-I486 PolarHBondContact O-N 3.2Å; V483-A487 WeakPolarHBondContact O-CB 3.41Å; V483-A487 PolarHBondContact O-N 2.98Å
484L72.2Confident67.3Low105 Ų10599.9 Ų99.955%0.5552%0.515SS..Hα-helixtrans-66.4-40.8172.9-75169.2000111.8V480 P481 V482 A487 V488V480-L484 HydrophobicContact CG1-CD1 3.77Å; V480-L484 HydrophobicContact CG1-CG 4.35Å; V480-L484 VanDerWaalsContact O-CB 3.32Å; V480-L484 WeakPolarHBondContact O-CB 3.19Å; V480-L484 VanDerWaalsContact O-CG 3.28Å; V480-L484 WeakPolarHBondContact O-CG 3.41Å; V480-L484 PolarHBondContact O-N 3.36Å; P481-L484 PolarHBondContact O-N 2.89Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 2.86Å; L484-A487 PolarHBondContact O-N 3.44Å; L484-V488 VanDerWaalsContact O-CB 3.29Å; L484-V488 WeakPolarHBondContact O-CB 3.23Å; L484-V488 WeakPolarHBondContact O-CG2 3.2Å; L484-V488 PolarHBondContact O-N 3.38Å
485M72.7Confident66.5Low134 Ų134107.8 Ų107.866%0.6655%0.553SS**Hα-helixtrans-64.8-40.9175.3-123-168.4-71.600111.5P481 V482 V488 F489P481-M485 WeakPolarHBondContact O-CB 3.29Å; P481-M485 PolarHBondContact O-N 2.81Å; V482-M485 PolarHBondContact O-N 3.22Å; M485-V488 PolarHBondContact O-N 3.49Å; M485-F489 WeakPolarHBondContact O-CB 2.86Å; M485-F489 PolarHBondContact O-N 3.35Å
486I74.2Confident65.7Low84 Ų84110.8 Ų110.843%0.43157%0.572SS.*Hα-helixtrans-65.7-44175.1-70.2168.1000110V482 V483 F489 F490V482-I486 HydrophobicContact CG1-CD1 3.76Å; V482-I486 HydrophobicContact CG1-CG1 4.4Å; V482-I486 WeakPolarHBondContact O-CB 3.49Å; V482-I486 WeakPolarHBondContact O-CG1 3.36Å; V482-I486 PolarHBondContact O-N 2.84Å; V483-I486 PolarHBondContact O-N 3.2Å; I486-F489 WeakPolarHBondContact O-CB 3.46Å; I486-F489 PolarHBondContact O-N 3.22Å; I486-F490 HydrophobicContact CG2-CD2 3.54Å; I486-F490 HydrophobicContact CG2-CE2 3.46Å; I486-F490 VanDerWaalsContact CG2-CE2 3.46Å; I486-F490 WeakPolarHBondContact O-CD2 3.45Å; I486-F490 PolarHBondContact O-N 3.23Å
487A71Confident65.2Low54 Ų54112.5 Ų112.545%0.44659%0.586SS.*Hα-helixtrans-64-41.1176.400000111.9V483 L484 F490 F491V483-A487 WeakPolarHBondContact O-CB 3.41Å; V483-A487 PolarHBondContact O-N 2.98Å; L484-A487 PolarHBondContact O-N 3.44Å; A487-F490 PolarHBondContact O-N 3.44Å; A487-F491 VanDerWaalsContact O-CB 3.24Å; A487-F491 WeakPolarHBondContact O-CB 3.48Å; A487-F491 PolarHBondContact O-N 2.97Å
488V76.3Confident64.2Low79 Ų79117.6 Ų117.648%0.47961%0.608SS.*Hα-helixtrans-65.7-41173.51690000110.5L484 M485 F491 L492L484-V488 VanDerWaalsContact O-CB 3.29Å; L484-V488 WeakPolarHBondContact O-CB 3.23Å; L484-V488 WeakPolarHBondContact O-CG2 3.2Å; L484-V488 PolarHBondContact O-N 3.38Å; M485-V488 PolarHBondContact O-N 3.49Å; V488-F491 PolarHBondContact O-N 3.29Å; V488-L492 HydrophobicContact CG1-CD1 3.61Å; V488-L492 HydrophobicContact CG1-CG 4.15Å; V488-L492 VanDerWaalsContact O-CB 3.31Å; V488-L492 WeakPolarHBondContact O-CB 3.32Å; V488-L492 VanDerWaalsContact O-CG 3.24Å; V488-L492 WeakPolarHBondContact O-CG 3.31Å; V488-L492 PolarHBondContact O-N 2.98Å
489F78.8Confident63.5Low139 Ų139121.2 Ų121.261%0.6163%0.626SS**Hα-helixtrans-61.9-45.7174.5-179.2-95.8000111.5M485 I486 F491 L492 A493M485-F489 WeakPolarHBondContact O-CB 2.86Å; M485-F489 PolarHBondContact O-N 3.35Å; I486-F489 WeakPolarHBondContact O-CB 3.46Å; I486-F489 PolarHBondContact O-N 3.22Å; F489-F491 VanDerWaalsContact C-N 3.31Å; F489-F491 PolarHBondContact O-N 3.21Å; F489-L492 PolarHBondContact O-N 2.96Å; F489-A493 WeakPolarHBondContact O-CB 3.4Å; F489-A493 PolarHBondContact O-N 3.48Å
490F73.1Confident62.4Low143 Ų143125.3 Ų125.363%0.62765%0.647SS**Hα-helixtrans-67.9-29174.8-81.6-67.7000113.3I486 A487 R494I486-F490 HydrophobicContact CG2-CD2 3.54Å; I486-F490 HydrophobicContact CG2-CE2 3.46Å; I486-F490 VanDerWaalsContact CG2-CE2 3.46Å; I486-F490 WeakPolarHBondContact O-CD2 3.45Å; I486-F490 PolarHBondContact O-N 3.23Å; A487-F490 PolarHBondContact O-N 3.44Å; F490-R494 PolarHBondContact O-N 3.22Å
491F74.3Confident61.2Low167 Ų167127.4 Ų127.473%0.73266%0.659SS**Hα-helixtrans-75.6-36.6175.3-165.9-93.4000112A487 V488 F489A487-F491 VanDerWaalsContact O-CB 3.24Å; A487-F491 WeakPolarHBondContact O-CB 3.48Å; A487-F491 PolarHBondContact O-N 2.97Å; V488-F491 PolarHBondContact O-N 3.29Å; F489-F491 VanDerWaalsContact C-N 3.31Å; F489-F491 PolarHBondContact O-N 3.21Å
492L73.5Confident60.2Low137 Ų137131.5 Ų131.572%0.71768%0.678SS**Hα-helixtrans-81.3-28.8176.9-69.1173.5000113.3V488 F489V488-L492 HydrophobicContact CG1-CD1 3.61Å; V488-L492 HydrophobicContact CG1-CG 4.15Å; V488-L492 VanDerWaalsContact O-CB 3.31Å; V488-L492 WeakPolarHBondContact O-CB 3.32Å; V488-L492 VanDerWaalsContact O-CG 3.24Å; V488-L492 WeakPolarHBondContact O-CG 3.31Å; V488-L492 PolarHBondContact O-N 2.98Å; F489-L492 PolarHBondContact O-N 2.96Å
493A63.9Low58.6Low60 Ų60133.1 Ų133.150%0.49669%0.69SS.*SBendtrans-83.72175.100000113F489 E495F489-A493 WeakPolarHBondContact O-CB 3.4Å; F489-A493 PolarHBondContact O-N 3.48Å; A493-E495 PolarHBondContact O-N 2.94Å
494R55.6Low56.8Low203 Ų203132.3 Ų132.377%0.76669%0.693SS**SBendtrans-78.899.6172.7-162.5173.8-177.5148.50.4107.9F490F490-R494 PolarHBondContact O-N 3.22Å
495E51.7Low54.8Low178 Ų178134.3 Ų134.383%0.83270%0.704SS**PPolyproline II helixtrans-55.3134.2176.2-72.2178.9163.400110.4A493A493-E495 PolarHBondContact O-N 2.94Å
496P47.6Very low53Low116 Ų116136.6 Ų136.675%0.75371%0.71SS**PPolyproline II helixtrans-68.4136.2170.44.39.8000108.9E498P496-E498 PolarHBondContact O-N 3.44Å
497E48.8Very low50.9Low200 Ų200136.9 Ų136.994%0.93572%0.72SS**PPolyproline II helixtrans-55.4122.8170.6-85.5176.8151.700109.9E499E497-E499 PolarHBondContact O-N 3.34Å
498E38.7Very low48.9Very low190 Ų190139.9 Ų139.989%0.88873%0.732SS**PPolyproline II helixtrans-70.6119.3-179.8-71.9-175.5146.100111.5P496P496-E498 PolarHBondContact O-N 3.44Å
499E41.6Very low46.8Very low196 Ų196144.9 Ų144.992%0.91675%0.751SS**  trans-105.6142.4153.2-101.7-172.4167.800110.3E497E497-E499 PolarHBondContact O-N 3.34Å
500T36.6Very low44.5Very low131 Ų131143 Ų14380%0.80476%0.755SS**  trans-78.3124.8-150.449.80000117.3
501V36.4Very low42.6Very low127 Ų127140.9 Ų140.977%0.7776%0.758SS**  trans27.3125.7137.9-162.20000121.7P503V501-P503 HydrophobicContact CG1-CG 4.32Å
502D39.8Very low40.6Very low149 Ų149140.5 Ų140.580%0.79776%0.762SS**  trans-151.8122.6130.9-166.1-8.7000110.3
503P33.5Very low38.8Very low109 Ų109137.8 Ų137.871%0.70877%0.767SS**  trans-106.499.2-178.933.2-16.5000111.1V501V501-P503 HydrophobicContact CG1-CG 4.32Å
504A31.8Very low37.2Very low78 Ų78144.3 Ų144.365%0.64578%0.784SS**  trans-155.9141.3164.200000112.7
505L31.8Very low36Very low147 Ų147140.9 Ų140.977%0.7779%0.786SS**  trans97.6109.8155.9-65.3114.8000120.6
506F34.7Very low34.9Very low182 Ų182138.1 Ų138.180%0.79878%0.781SS**  65.5110.7129.7-73.7-97.5000121.5
507S28.8Very low34Very low90 Ų90141.9 Ų141.963%0.62979%0.789SS**  18.8143125.4630000122.9
508T29.1Very low33Very low116 Ų116137.6 Ų137.671%0.71278%0.781SS**  trans90.9119.414037.80000121
509E32Very low32.6Very low185 Ų185134.4 Ų134.486%0.86478%0.779SS**  trans68.3151.1144.9-65.5179.7-17200117.7
510S31.1Very low32.7Very low99 Ų99129.1 Ų129.169%0.69276%0.764SS**  cis176.6136.8-15.1168.60000103.1
511S33.4Very low33.8Very low99 Ų99129.7 Ų129.769%0.69276%0.758SS**  trans163.5110.8133.148.50000111.6
512I32.9Very low35.5Very low159 Ų159127.4 Ų127.482%0.81574%0.739SS**  84.4107.4101-63160.8000113.2
513G34.7Very low37.8Very low80 Ų80123 Ų12383%0.82571%0.711SS**  trans-154.180157.700000109.2
514K29.7Very low40.5Very low197 Ų197121.7 Ų121.786%0.85769%0.693SS**  trans-66.8134.6172-87.3-179.9170.4-179.30109.9
515T30.6Very low43.2Very low130 Ų130118 Ų11880%0.79866%0.662SS**  trans-155.6105.9136.3-49.70000110.3
516T30.2Very low46.1Very low121 Ų121113.3 Ų113.374%0.74264%0.638SS**  trans54.393.9140.9-29.70000118.8
517E27Very low48.9Very low194 Ų194104.7 Ų104.791%0.90760%0.6SS**  5191.691.5-79.2-174.1-177.600115.6
518S28.9Very low51.8Low110 Ų110104.2 Ų104.277%0.76959%0.587SS**  trans-139.1117138.6172.30000105.6S520S518-S520 VanDerWaalsContact C-N 3.28Å; S518-S520 PolarHBondContact O-N 3.24Å
519S30.9Very low54.8Low123 Ų123100 Ų10086%0.8657%0.566SS**  trans-65.785.4178.9610000110.1Q521S519-Q521 VanDerWaalsContact C-N 3.34Å; S519-Q521 PolarHBondContact O-N 3.39Å; S519-Q521 VanDerWaalsContact O-N 3.13Å
520S43.3Very low57.7Low86 Ų8691.3 Ų91.360%0.60153%0.526SS*.  trans-78.191165.965.60000107.1S518 E522S518-S520 VanDerWaalsContact C-N 3.28Å; S518-S520 PolarHBondContact O-N 3.24Å; S520-E522 PolarHBondContact O-N 3.47Å
521Q59.2Low60.8Low142 Ų14287 Ų8766%0.66450%0.495SS*.  trans-55.8115165.3-173.4171.6-14.700107.6S519 W523S519-Q521 VanDerWaalsContact C-N 3.34Å; S519-Q521 PolarHBondContact O-N 3.39Å; S519-Q521 VanDerWaalsContact O-N 3.13Å; Q521-W523 PolarHBondContact O-N 2.87Å
522E73Confident63.6Low80 Ų8089.2 Ų89.237%0.37449%0.492SS..  trans-74122.4177.8-57.8-168.2163.700108S520 Y524 R538S520-E522 PolarHBondContact O-N 3.47Å; E522-Y524 HydrophobicContact CB-CE2 3.89Å; E522-Y524 PolarHBondContact OE2-OH 3.48Å; E522-R538 IonicContact OE1-CZ 2.97Å; E522-R538 IonicContact OE1-NH1 2.8Å; E522-R538 PolarHBondContact OE1-NH1 3.25Å; E522-R538 IonicContact OE1-NH2 2.67Å; E522-R538 PolarHBondContact OE1-NH2 3.44Å; E522-R538 IonicContact OE2-CZ 3.28Å; E522-R538 VanDerWaalsContact OE2-CZ 3.28Å; E522-R538 IonicContact OE2-NE 3.74Å; E522-R538 IonicContact OE2-NH1 3.03Å; E522-R538 PolarHBondContact OE2-NH1 2.94Å; E522-R538 IonicContact OE2-NH2 3.7Å
523W87.2Confident66.4Low57 Ų5788.3 Ų88.322%0.21648%0.482CS..EExtended strand (participates in β ladder)trans-92.7145.4179.4-71.911.3000110Q521 I539 Q541 L570 D572Q521-W523 PolarHBondContact O-N 2.87Å; W523-I539 HydrophobicContact CB-CD1 3.96Å; W523-I539 HydrophobicContact CB-CG1 3.45Å; W523-I539 VanDerWaalsContact CB-CG1 3.45Å; W523-I539 HydrophobicContact CE3-CD1 4.35Å; W523-I539 WeakPolarHBondContact O-CG1 3.26Å; W523-I539 PolarHBondContact O-N 2.88Å; W523-Q541 HydrophobicContact CE3-CB 4.43Å; W523-Q541 HydrophobicContact CH2-CB 4.2Å; W523-Q541 HydrophobicContact CH2-CG 3.7Å; W523-Q541 HydrophobicContact CZ2-CB 4.44Å; W523-Q541 HydrophobicContact CZ2-CG 4.18Å; W523-Q541 HydrophobicContact CZ3-CB 4.19Å; W523-Q541 HydrophobicContact CZ3-CG 3.99Å; W523-L570 WeakPolarHBondContact CZ3-O 3.34Å; W523-D572 VanDerWaalsContact CA-OD1 3.28Å; W523-D572 WeakPolarHBondContact CA-OD1 3.41Å; W523-D572 HydrophobicContact CB-CB 4.1Å; W523-D572 HydrophobicContact CD2-CB 3.88Å; W523-D572 HydrophobicContact CE3-CB 4.47Å; W523-D572 HydrophobicContact CG-CB 3.69Å
524Y89.7Confident69.2Low81 Ų8188.8 Ų88.832%0.31847%0.47SS..EExtended strand (participates in β ladder)trans-131.3143.6176.2-68.5-93.2000111.4E522 M536 Y537 R538 D572 Q573E522-Y524 HydrophobicContact CB-CE2 3.89Å; E522-Y524 PolarHBondContact OE2-OH 3.48Å; Y524-M536 HydrophobicContact CD1-CE 3.93Å; Y524-M536 HydrophobicContact CD1-CG 3.91Å; Y524-M536 HydrophobicContact CD1-SD 4.17Å; Y524-M536 HydrophobicContact CE1-CE 4.18Å; Y524-M536 HydrophobicContact CG-CE 4.44Å; Y524-M536 HydrophobicContact CG-CG 4.33Å; Y524-M536 HydrophobicContact CG-SD 4.3Å; Y524-Y537 WeakPolarHBondContact CA-O 3.28Å; Y524-R538 HydrophobicContact CD1-CB 4.09Å; Y524-R538 HydrophobicContact CE1-CB 3.73Å; Y524-R538 HydrophobicContact CE1-CG 4.22Å; Y524-D572 PolarHBondContact N-OD1 2.94Å; Y524-Q573 WeakPolarHBondContact O-CA 3.49Å; Y524-Q573 PolarHBondContact O-N 2.95Å
525V89.3Confident72.2Confident1 Ų180.6 Ų80.61%0.00644%0.441CS..EExtended strand (participates in β ladder)trans-119.5150.8165.1-68.70000110.3V527 M536 Y537 I539 A548 L570 E574 I576V525-V527 HydrophobicContact CG2-CG2 4.1Å; V525-M536 CarbonylContact O-C 3.55Å; V525-M536 WeakPolarHBondContact O-CA 3.2Å; V525-Y537 PolarHBondContact N-O 3.3Å; V525-Y537 PolarHBondContact O-N 2.61Å; V525-I539 HydrophobicContact CG1-CD1 3.48Å; V525-I539 VanDerWaalsContact CG1-CD1 3.48Å; V525-I539 HydrophobicContact CG1-CG2 4.47Å; V525-I539 HydrophobicContact CG2-CG2 3.66Å; V525-A548 HydrophobicContact CG2-CB 3.83Å; V525-L570 HydrophobicContact CG1-CB 4.14Å; V525-L570 HydrophobicContact CG1-CD1 4.1Å; V525-L570 HydrophobicContact CG1-CD2 4.28Å; V525-L570 HydrophobicContact CG1-CG 4.4Å; V525-L570 HydrophobicContact CG2-CD1 4.42Å; V525-E574 VanDerWaalsContact CA-O 3.28Å; V525-E574 WeakPolarHBondContact CA-O 3.49Å; V525-E574 WeakPolarHBondContact CB-O 3.23Å; V525-E574 HydrophobicContact CG1-CB 3.99Å; V525-I576 HydrophobicContact CB-CD1 3.97Å; V525-I576 HydrophobicContact CG1-CD1 4.11Å; V525-I576 HydrophobicContact CG2-CD1 3.88Å
526D92Very high75Confident48 Ų4880.7 Ų80.726%0.25743%0.434SS..EExtended strand (participates in β ladder)trans-104.5108.7174.1-172.60.1000109.4K528 E574 I575 I576D526-K528 WeakPolarHBondContact OD1-CE 3.26Å; D526-K528 IonicContact OD1-NZ 3.53Å; D526-K528 WeakPolarHBondContact OD2-CE 3.47Å; D526-K528 IonicContact OD2-NZ 3.96Å; D526-K528 PolarHBondContact OD2-NZ 3.02Å; D526-E574 PolarHBondContact N-O 3.5Å; D526-I575 HydrophobicContact CB-CG1 4.26Å; D526-I575 CarbonylContact O-C 3.56Å; D526-I575 WeakPolarHBondContact O-CA 3.48Å; D526-I576 PolarHBondContact O-N 2.81Å
527V93.4Very high77.9Confident0 Ų076.8 Ų76.80%041%0.406CS..EExtended strand (participates in β ladder)trans-96.6123.1-177.5-173.80000110.1V525 V531 T534 G535 Y537 A548 I549 A552 I576V525-V527 HydrophobicContact CG2-CG2 4.1Å; V527-V531 HydrophobicContact CG1-CB 4.43Å; V527-V531 HydrophobicContact CG1-CG1 3.9Å; V527-V531 HydrophobicContact CG1-CG2 3.95Å; V527-T534 WeakPolarHBondContact O-CA 3.13Å; V527-G535 PolarHBondContact N-O 3.24Å; V527-G535 PolarHBondContact O-N 2.83Å; V527-Y537 HydrophobicContact CB-CD2 3.89Å; V527-Y537 HydrophobicContact CB-CE2 3.91Å; V527-Y537 HydrophobicContact CG2-CD2 3.56Å; V527-Y537 HydrophobicContact CG2-CE2 4.07Å; V527-A548 HydrophobicContact CG2-CB 4.01Å; V527-I549 HydrophobicContact CG1-CD1 3.9Å; V527-A552 HydrophobicContact CB-CB 4.33Å; V527-A552 HydrophobicContact CG1-CB 3.89Å; V527-I576 CarbonylContact C-O 3.54Å; V527-I576 WeakPolarHBondContact CA-O 3.32Å; V527-I576 HydrophobicContact CG2-CB 4.34Å; V527-I576 HydrophobicContact CG2-CD1 4.1Å
528K90.8Very high80.9Confident81 Ų8173.9 Ų73.935%0.35239%0.386SS..EExtended strand (participates in β ladder)trans-131.4168.3-175.7-58.1-168.8-172.2-172.40111.9D526 I575 I576 Y577 V578D526-K528 WeakPolarHBondContact OD1-CE 3.26Å; D526-K528 IonicContact OD1-NZ 3.53Å; D526-K528 WeakPolarHBondContact OD2-CE 3.47Å; D526-K528 IonicContact OD2-NZ 3.96Å; D526-K528 PolarHBondContact OD2-NZ 3.02Å; K528-I575 HydrophobicContact CD-CG2 4.41Å; K528-I576 PolarHBondContact N-O 3.02Å; K528-Y577 HydrophobicContact CB-CD2 3.82Å; K528-Y577 HydrophobicContact CB-CE2 4.35Å; K528-V578 PolarHBondContact O-N 2.88Å
529G91.5Very high83.7Confident26 Ų2668.8 Ų68.827%0.26835%0.351SS..EExtended strand (participates in β ladder)trans89.5-144.1174.800000112.8V531 V578G529-V531 PolarHBondContact O-N 2.87Å; G529-V578 CarbonylContact C-O 3.54Å; G529-V578 VanDerWaalsContact CA-O 3.25Å; G529-V578 WeakPolarHBondContact CA-O 3.13Å
530A93.6Very high86.3Confident3 Ų372.4 Ų72.43%0.02535%0.345CS..SBendtrans-7559.8-173.600000113.3F555 T556 A559 V578 K580A530-F555 WeakPolarHBondContact O-CA 3.29Å; A530-T556 WeakPolarHBondContact CA-OG1 3.36Å; A530-T556 VanDerWaalsContact CB-OG1 3.29Å; A530-T556 WeakPolarHBondContact CB-OG1 3.05Å; A530-T556 PolarHBondContact O-N 3.37Å; A530-T556 PolarHBondContact O-OG1 3.29Å; A530-A559 HydrophobicContact CB-CB 3.54Å; A530-A559 WeakPolarHBondContact O-CB 3.3Å; A530-V578 HydrophobicContact CB-CB 4.43Å; A530-V578 HydrophobicContact CB-CG1 4.01Å; A530-V578 PolarHBondContact N-O 2.91Å; A530-K580 HydrophobicContact CB-CG 4.03Å
531V95Very high88.1Confident8 Ų875.9 Ų75.95%0.04835%0.352CS..BIsolated β-bridgetrans-124.5153.2175.2-64.90000110.9V527 G529 K533 T534 I549 A552 G554 V578V527-V531 HydrophobicContact CG1-CB 4.43Å; V527-V531 HydrophobicContact CG1-CG1 3.9Å; V527-V531 HydrophobicContact CG1-CG2 3.95Å; G529-V531 PolarHBondContact O-N 2.87Å; V531-K533 VanDerWaalsContact C-N 3.29Å; V531-K533 PolarHBondContact O-N 3.39Å; V531-T534 HydrophobicContact CG2-CG2 3.78Å; V531-I549 HydrophobicContact CG1-CD1 3.85Å; V531-I549 HydrophobicContact CG1-CG2 4.46Å; V531-A552 HydrophobicContact CB-CB 4.11Å; V531-A552 HydrophobicContact CG1-CB 4.44Å; V531-A552 HydrophobicContact CG2-CB 4.26Å; V531-G554 CarbonylContact C-O 3.56Å; V531-G554 WeakPolarHBondContact CA-O 3.2Å; V531-V578 HydrophobicContact CG1-CB 4.08Å; V531-V578 HydrophobicContact CG1-CG2 3.48Å; V531-V578 VanDerWaalsContact CG1-CG2 3.48Å
532K93Very high89.1Confident146 Ų14670.8 Ų70.864%0.63534%0.337SS*.SBendtrans-64.3-33.7-175.9-65.4-162.8-163.1156.10113.2G553 G554 F555K532-G553 WeakPolarHBondContact CD-O 3.37Å; K532-G553 WeakPolarHBondContact CE-O 3.18Å; K532-G553 PolarHBondContact NZ-O 3.04Å; K532-G554 PolarHBondContact N-O 3.12Å; K532-F555 WeakPolarHBondContact CE-O 3.48Å; K532-F555 WeakPolarHBondContact CG-O 3.41Å
533K92.6Very high89.8Confident140 Ų14068.8 Ų68.861%0.60933%0.328SS*.SBendtrans-134.9110176-60.5179.9-178.3177.70108.4V531 Y537 A552V531-K533 VanDerWaalsContact C-N 3.29Å; V531-K533 PolarHBondContact O-N 3.39Å; K533-Y537 WeakPolarHBondContact CB-OH 3.42Å; K533-Y537 PolarHBondContact O-OH 3.47Å; K533-A552 WeakPolarHBondContact CB-O 3.19Å; K533-A552 PolarHBondContact N-O 3.12Å; K533-A552 VanDerWaalsContact O-CB 3.28Å; K533-A552 WeakPolarHBondContact O-CB 3.05Å
534T93.4Very high89.9Confident91 Ų9172.2 Ų72.256%0.55834%0.341SS*.  trans-77.4147.2169.857.60000109.9V527 V531V527-T534 WeakPolarHBondContact O-CA 3.13Å; V531-T534 HydrophobicContact CG2-CG2 3.78Å
535G91.3Very high89.9Confident24 Ų2468.8 Ų68.825%0.24733%0.329CS..EExtended strand (participates in β ladder)trans156.8-177.6174.200000113.6V527 Y537V527-G535 PolarHBondContact N-O 3.24Å; V527-G535 PolarHBondContact O-N 2.83Å; G535-Y537 WeakPolarHBondContact O-CD2 3.37Å; G535-Y537 WeakPolarHBondContact O-CE2 3.38Å
536M90.7Very high89.9Confident133 Ų13372 Ų7266%0.65534%0.344SS*.EExtended strand (participates in β ladder)trans-87.2127.2176.6-168.7173.77100110.3Y524 V525Y524-M536 HydrophobicContact CD1-CE 3.93Å; Y524-M536 HydrophobicContact CD1-CG 3.91Å; Y524-M536 HydrophobicContact CD1-SD 4.17Å; Y524-M536 HydrophobicContact CE1-CE 4.18Å; Y524-M536 HydrophobicContact CG-CE 4.44Å; Y524-M536 HydrophobicContact CG-CG 4.33Å; Y524-M536 HydrophobicContact CG-SD 4.3Å; V525-M536 CarbonylContact O-C 3.55Å; V525-M536 WeakPolarHBondContact O-CA 3.2Å
537Y91.1Very high90Very high38 Ų3872.8 Ų72.815%0.14935%0.348CS..EExtended strand (participates in β ladder)trans-117132.1-177.1-67.6-81000110.5Y524 V525 V527 K533 G535 I539 L551 A552Y524-Y537 WeakPolarHBondContact CA-O 3.28Å; V525-Y537 PolarHBondContact N-O 3.3Å; V525-Y537 PolarHBondContact O-N 2.61Å; V527-Y537 HydrophobicContact CB-CD2 3.89Å; V527-Y537 HydrophobicContact CB-CE2 3.91Å; V527-Y537 HydrophobicContact CG2-CD2 3.56Å; V527-Y537 HydrophobicContact CG2-CE2 4.07Å; K533-Y537 WeakPolarHBondContact CB-OH 3.42Å; K533-Y537 PolarHBondContact O-OH 3.47Å; G535-Y537 WeakPolarHBondContact O-CD2 3.37Å; G535-Y537 WeakPolarHBondContact O-CE2 3.38Å; Y537-I539 PolarHBondContact O-N 3.08Å; Y537-L551 HydrophobicContact CD1-CB 3.6Å; Y537-L551 VanDerWaalsContact CE1-C 3.47Å; Y537-L551 HydrophobicContact CE1-CB 4.15Å; Y537-L551 WeakPolarHBondContact CE1-O 3.44Å; Y537-L551 HydrophobicContact CG-CB 4.04Å; Y537-A552 HydrophobicContact CE2-CB 3.81Å; Y537-A552 WeakPolarHBondContact OH-CA 3.5Å
538R89.8Confident89.9Confident133 Ų13372.8 Ų72.850%0.50235%0.348SS..EExtended strand (participates in β ladder)trans-72.8124.6171.5-178177.5168.4158.24.3109E522 Y524E522-R538 IonicContact OE1-CZ 2.97Å; E522-R538 IonicContact OE1-NH1 2.8Å; E522-R538 PolarHBondContact OE1-NH1 3.25Å; E522-R538 IonicContact OE1-NH2 2.67Å; E522-R538 PolarHBondContact OE1-NH2 3.44Å; E522-R538 IonicContact OE2-CZ 3.28Å; E522-R538 VanDerWaalsContact OE2-CZ 3.28Å; E522-R538 IonicContact OE2-NE 3.74Å; E522-R538 IonicContact OE2-NH1 3.03Å; E522-R538 PolarHBondContact OE2-NH1 2.94Å; E522-R538 IonicContact OE2-NH2 3.7Å; Y524-R538 HydrophobicContact CD1-CB 4.09Å; Y524-R538 HydrophobicContact CE1-CB 3.73Å; Y524-R538 HydrophobicContact CE1-CG 4.22Å
539I87.7Confident90.1Very high4 Ų468.9 Ų68.92%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-118.3173.2178.868.5178.1000110.9W523 V525 Y537 M543 L551 L570W523-I539 HydrophobicContact CB-CD1 3.96Å; W523-I539 HydrophobicContact CB-CG1 3.45Å; W523-I539 VanDerWaalsContact CB-CG1 3.45Å; W523-I539 HydrophobicContact CE3-CD1 4.35Å; W523-I539 WeakPolarHBondContact O-CG1 3.26Å; W523-I539 PolarHBondContact O-N 2.88Å; V525-I539 HydrophobicContact CG1-CD1 3.48Å; V525-I539 VanDerWaalsContact CG1-CD1 3.48Å; V525-I539 HydrophobicContact CG1-CG2 4.47Å; V525-I539 HydrophobicContact CG2-CG2 3.66Å; Y537-I539 PolarHBondContact O-N 3.08Å; I539-M543 VanDerWaalsContact CA-SD 3.58Å; I539-M543 HydrophobicContact CB-CE 4.49Å; I539-M543 HydrophobicContact CB-SD 3.73Å; I539-M543 HydrophobicContact CG2-CE 4.37Å; I539-M543 HydrophobicContact CG2-SD 4.24Å; I539-L551 HydrophobicContact CG2-CD1 4.46Å; I539-L570 HydrophobicContact CD1-CB 3.75Å; I539-L570 HydrophobicContact CD1-CD1 4.35Å; I539-L570 HydrophobicContact CG2-CD1 4.3Å
540R85.9Confident90.2Very high198 Ų19872.1 Ų72.175%0.74734%0.343SS*.  trans-123.1152172.6-64.5179.8177.9138.4-0.6109.3G542 M543R540-G542 PolarHBondContact O-N 2.62Å; R540-M543 HydrophobicContact CB-CG 4.37Å; R540-M543 HydrophobicContact CB-SD 4.13Å; R540-M543 PolarHBondContact N-SD 2.83Å; R540-M543 WeakPolarHBondContact O-CB 3.34Å; R540-M543 WeakPolarHBondContact O-CG 3.26Å; R540-M543 PolarHBondContact O-N 2.72Å; R540-M543 VanDerWaalsContact O-N 3.08Å
541Q80Confident90.1Very high160 Ų16075.9 Ų75.975%0.74836%0.362SS*.THydrogen-bonded Turntrans-54.3128.1174.1-168.6176.219.600110.6W523W523-Q541 HydrophobicContact CE3-CB 4.43Å; W523-Q541 HydrophobicContact CH2-CB 4.2Å; W523-Q541 HydrophobicContact CH2-CG 3.7Å; W523-Q541 HydrophobicContact CZ2-CB 4.44Å; W523-Q541 HydrophobicContact CZ2-CG 4.18Å; W523-Q541 HydrophobicContact CZ3-CB 4.19Å; W523-Q541 HydrophobicContact CZ3-CG 3.99Å
542G80.2Confident90.1Very high34 Ų3475.5 Ų75.535%0.35136%0.36SS..THydrogen-bonded Turntrans96.5-4.8-177.400000115.4R540R540-G542 PolarHBondContact O-N 2.62Å
543M88.3Confident89.9Confident38 Ų3870.1 Ų70.119%0.18735%0.346CS..  trans-68.1148.2168.8-70.8-179.172.200110.9I539 R540 D547 L551 L570I539-M543 VanDerWaalsContact CA-SD 3.58Å; I539-M543 HydrophobicContact CB-CE 4.49Å; I539-M543 HydrophobicContact CB-SD 3.73Å; I539-M543 HydrophobicContact CG2-CE 4.37Å; I539-M543 HydrophobicContact CG2-SD 4.24Å; R540-M543 HydrophobicContact CB-CG 4.37Å; R540-M543 HydrophobicContact CB-SD 4.13Å; R540-M543 PolarHBondContact N-SD 2.83Å; R540-M543 WeakPolarHBondContact O-CB 3.34Å; R540-M543 WeakPolarHBondContact O-CG 3.26Å; R540-M543 PolarHBondContact O-N 2.72Å; R540-M543 VanDerWaalsContact O-N 3.08Å; M543-D547 VanDerWaalsContact CA-OD2 3.3Å; M543-D547 WeakPolarHBondContact CA-OD2 3.5Å; M543-D547 HydrophobicContact CB-CB 4.24Å; M543-D547 HydrophobicContact CE-CB 3.4Å; M543-D547 HydrophobicContact CG-CB 4.46Å; M543-L551 HydrophobicContact CE-CD1 3.8Å; M543-L570 PolarHBondContact O-N 3.19Å
544R89.2Confident89.9Confident129 Ų12964.1 Ų64.149%0.48732%0.323SS..BIsolated β-bridgetrans-106.8165.8178.7-67.3179.1169.9-156.5-2.4111.1M546 D547 A548 K568 L569 L570R544-M546 PolarHBondContact O-N 3.46Å; R544-D547 PolarHBondContact N-OD2 2.93Å; R544-D547 WeakPolarHBondContact O-CB 3.38Å; R544-D547 PolarHBondContact O-N 2.85Å; R544-A548 PolarHBondContact O-N 3.42Å; R544-K568 CarbonylContact C-O 3.54Å; R544-K568 WeakPolarHBondContact CA-O 3.44Å; R544-L569 HydrophobicContact CG-CD2 4.38Å; R544-L570 VanDerWaalsContact O-CD1 3.31Å; R544-L570 WeakPolarHBondContact O-CD1 3.32Å
545L88.6Confident89.9Confident10 Ų1061.1 Ų61.15%0.05230%0.303CS..Hα-helixtrans-51-42.5178.4-170.1149000112.6D547 A548 I549 M564 F566 K568 L570 I576L545-D547 VanDerWaalsContact C-N 3.28Å; L545-D547 PolarHBondContact O-N 2.99Å; L545-A548 PolarHBondContact O-N 3.2Å; L545-A548 VanDerWaalsContact O-N 3.14Å; L545-I549 HydrophobicContact CD2-CD1 4.41Å; L545-I549 HydrophobicContact CD2-CG1 3.92Å; L545-I549 WeakPolarHBondContact O-CG1 3.17Å; L545-I549 PolarHBondContact O-N 3.05Å; L545-I549 VanDerWaalsContact O-N 3.12Å; L545-M564 HydrophobicContact CD1-CE 3.74Å; L545-M564 HydrophobicContact CD2-CE 3.7Å; L545-M564 HydrophobicContact CG-CE 4.26Å; L545-F566 HydrophobicContact CD2-CD1 3.84Å; L545-F566 HydrophobicContact CD2-CE1 4.31Å; L545-K568 HydrophobicContact CB-CB 4.47Å; L545-K568 PolarHBondContact N-O 3.27Å; L545-L570 HydrophobicContact CB-CD2 4.2Å; L545-I576 HydrophobicContact CD1-CG2 4.04Å; L545-I576 HydrophobicContact CD2-CG2 4.31Å; L545-I576 HydrophobicContact CG-CD1 4.49Å; L545-I576 HydrophobicContact CG-CG2 3.95Å
546M91.1Very high90Very high68 Ų6862.1 Ų62.134%0.33530%0.304SS..Hα-helixtrans-59.1-38.2177-167.464.5-165.300112.8R544 A548 I549 D550 F555 F566R544-M546 PolarHBondContact O-N 3.46Å; M546-A548 VanDerWaalsContact C-N 3.28Å; M546-A548 PolarHBondContact O-N 2.97Å; M546-I549 PolarHBondContact O-N 3.49Å; M546-I549 VanDerWaalsContact O-N 3.14Å; M546-D550 PolarHBondContact O-N 2.78Å; M546-F555 HydrophobicContact CE-CE2 4.22Å; M546-F555 HydrophobicContact SD-CE2 4.19Å; M546-F555 HydrophobicContact SD-CZ 4.37Å; M546-F566 HydrophobicContact CB-CB 4.28Å; M546-F566 HydrophobicContact SD-CD1 4.15Å; M546-F566 HydrophobicContact SD-CG 4.42Å
547D92.1Very high90Very high64 Ų6465.4 Ų65.434%0.34232%0.318SS..Hα-helixtrans-64.3-36.5179.3-55.6-45000111.2M543 R544 L545 D550 L551M543-D547 VanDerWaalsContact CA-OD2 3.3Å; M543-D547 WeakPolarHBondContact CA-OD2 3.5Å; M543-D547 HydrophobicContact CB-CB 4.24Å; M543-D547 HydrophobicContact CE-CB 3.4Å; M543-D547 HydrophobicContact CG-CB 4.46Å; R544-D547 PolarHBondContact N-OD2 2.93Å; R544-D547 WeakPolarHBondContact O-CB 3.38Å; R544-D547 PolarHBondContact O-N 2.85Å; L545-D547 VanDerWaalsContact C-N 3.28Å; L545-D547 PolarHBondContact O-N 2.99Å; D547-D550 PolarHBondContact O-N 3.2Å; D547-L551 WeakPolarHBondContact O-CG 3.15Å; D547-L551 PolarHBondContact O-N 3.03Å
548A92.4Very high90.1Very high0 Ų066.4 Ų66.40%033%0.326CS..Hα-helixtrans-69.9-35.4174.900000112.5V525 V527 R544 L545 M546 L551 A552 L570 I576V525-A548 HydrophobicContact CG2-CB 3.83Å; V527-A548 HydrophobicContact CG2-CB 4.01Å; R544-A548 PolarHBondContact O-N 3.42Å; L545-A548 PolarHBondContact O-N 3.2Å; L545-A548 VanDerWaalsContact O-N 3.14Å; M546-A548 VanDerWaalsContact C-N 3.28Å; M546-A548 PolarHBondContact O-N 2.97Å; A548-L551 PolarHBondContact O-N 3.39Å; A548-A552 WeakPolarHBondContact O-CB 3.45Å; A548-A552 PolarHBondContact O-N 3.29Å; A548-L570 HydrophobicContact CB-CD1 3.53Å; A548-I576 HydrophobicContact CB-CD1 3.47Å; A548-I576 VanDerWaalsContact CB-CD1 3.47Å
549I94.7Very high90.1Very high0 Ų060.4 Ų60.40%031%0.305CS..Hα-helixtrans-66.1-39.7173.5-58.9-52.4000111.4V527 V531 L545 M546 L551 A552 G553 G554 F555 I576 V578V527-I549 HydrophobicContact CG1-CD1 3.9Å; V531-I549 HydrophobicContact CG1-CD1 3.85Å; V531-I549 HydrophobicContact CG1-CG2 4.46Å; L545-I549 HydrophobicContact CD2-CD1 4.41Å; L545-I549 HydrophobicContact CD2-CG1 3.92Å; L545-I549 WeakPolarHBondContact O-CG1 3.17Å; L545-I549 PolarHBondContact O-N 3.05Å; L545-I549 VanDerWaalsContact O-N 3.12Å; M546-I549 PolarHBondContact O-N 3.49Å; M546-I549 VanDerWaalsContact O-N 3.14Å; I549-L551 VanDerWaalsContact C-N 3.34Å; I549-A552 CarbonylContact O-C 3.59Å; I549-A552 WeakPolarHBondContact O-CA 3.39Å; I549-A552 WeakPolarHBondContact O-CB 3.48Å; I549-A552 PolarHBondContact O-N 3.45Å; I549-G553 PolarHBondContact O-N 3.36Å; I549-G554 PolarHBondContact O-N 3.22Å; I549-F555 HydrophobicContact CB-CE1 4.31Å; I549-F555 HydrophobicContact CB-CZ 4.15Å; I549-F555 HydrophobicContact CD1-CE1 4.15Å; I549-F555 HydrophobicContact CG1-CE1 3.87Å; I549-F555 HydrophobicContact CG1-CZ 3.91Å; I549-F555 HydrophobicContact CG2-CD1 3.84Å; I549-F555 HydrophobicContact CG2-CD2 4.11Å; I549-F555 HydrophobicContact CG2-CE1 3.58Å; I549-F555 HydrophobicContact CG2-CE2 3.84Å; I549-F555 HydrophobicContact CG2-CG 4.11Å; I549-F555 HydrophobicContact CG2-CZ 3.56Å; I549-I576 HydrophobicContact CD1-CG2 4.08Å; I549-V578 HydrophobicContact CD1-CG2 3.48Å; I549-V578 VanDerWaalsContact CD1-CG2 3.48Å
550D93.4Very high90.1Very high94 Ų9461.3 Ų61.350%0.50331%0.31SS..Hα-helixtrans-63.8-40.9175.7-76.4-18.9000111.4M546 D547 A552 G553M546-D550 PolarHBondContact O-N 2.78Å; D547-D550 PolarHBondContact O-N 3.2Å; D550-A552 PolarHBondContact O-N 3Å; D550-G553 PolarHBondContact O-N 3.09Å
551L92.9Very high90.3Very high81 Ų8156.1 Ų56.142%0.42429%0.294SS..Hα-helixtrans-60.2-35.2170.5-71.5177.2000112.2Y537 I539 M543 D547 A548 I549 G553Y537-L551 HydrophobicContact CD1-CB 3.6Å; Y537-L551 VanDerWaalsContact CE1-C 3.47Å; Y537-L551 HydrophobicContact CE1-CB 4.15Å; Y537-L551 WeakPolarHBondContact CE1-O 3.44Å; Y537-L551 HydrophobicContact CG-CB 4.04Å; I539-L551 HydrophobicContact CG2-CD1 4.46Å; M543-L551 HydrophobicContact CE-CD1 3.8Å; D547-L551 WeakPolarHBondContact O-CG 3.15Å; D547-L551 PolarHBondContact O-N 3.03Å; A548-L551 PolarHBondContact O-N 3.39Å; I549-L551 VanDerWaalsContact C-N 3.34Å; L551-G553 PolarHBondContact O-N 3.27Å
552A92.9Very high90.3Very high0 Ų055.8 Ų55.80%030%0.298CS..THydrogen-bonded Turntrans-73.32.5172.600000114.5V527 V531 K533 Y537 A548 I549 D550V527-A552 HydrophobicContact CB-CB 4.33Å; V527-A552 HydrophobicContact CG1-CB 3.89Å; V531-A552 HydrophobicContact CB-CB 4.11Å; V531-A552 HydrophobicContact CG1-CB 4.44Å; V531-A552 HydrophobicContact CG2-CB 4.26Å; K533-A552 WeakPolarHBondContact CB-O 3.19Å; K533-A552 PolarHBondContact N-O 3.12Å; K533-A552 VanDerWaalsContact O-CB 3.28Å; K533-A552 WeakPolarHBondContact O-CB 3.05Å; Y537-A552 HydrophobicContact CE2-CB 3.81Å; Y537-A552 WeakPolarHBondContact OH-CA 3.5Å; A548-A552 WeakPolarHBondContact O-CB 3.45Å; A548-A552 PolarHBondContact O-N 3.29Å; I549-A552 CarbonylContact O-C 3.59Å; I549-A552 WeakPolarHBondContact O-CA 3.39Å; I549-A552 WeakPolarHBondContact O-CB 3.48Å; I549-A552 PolarHBondContact O-N 3.45Å; D550-A552 PolarHBondContact O-N 3Å
553G90.8Very high90.2Very high33 Ų3358.5 Ų58.534%0.3430%0.301SS..THydrogen-bonded Turntrans81.512.9178.900000114.3K532 I549 D550 L551K532-G553 WeakPolarHBondContact CD-O 3.37Å; K532-G553 WeakPolarHBondContact CE-O 3.18Å; K532-G553 PolarHBondContact NZ-O 3.04Å; I549-G553 PolarHBondContact O-N 3.36Å; D550-G553 PolarHBondContact O-N 3.09Å; L551-G553 PolarHBondContact O-N 3.27Å
554G91Very high89.7Confident14 Ų1458.1 Ų58.114%0.14430%0.299CS..SBendtrans90.7-180-178.600000113.6V531 K532 I549V531-G554 CarbonylContact C-O 3.56Å; V531-G554 WeakPolarHBondContact CA-O 3.2Å; K532-G554 PolarHBondContact N-O 3.12Å; I549-G554 PolarHBondContact O-N 3.22Å
555F94.6Very high89.4Confident28 Ų2856.5 Ų56.512%0.12330%0.3CS..BIsolated β-bridgetrans-73155.2177.1-58.2-69.8000112.7A530 K532 M546 I549 A559 Q561 F566 V578A530-F555 WeakPolarHBondContact O-CA 3.29Å; K532-F555 WeakPolarHBondContact CE-O 3.48Å; K532-F555 WeakPolarHBondContact CG-O 3.41Å; M546-F555 HydrophobicContact CE-CE2 4.22Å; M546-F555 HydrophobicContact SD-CE2 4.19Å; M546-F555 HydrophobicContact SD-CZ 4.37Å; I549-F555 HydrophobicContact CB-CE1 4.31Å; I549-F555 HydrophobicContact CB-CZ 4.15Å; I549-F555 HydrophobicContact CD1-CE1 4.15Å; I549-F555 HydrophobicContact CG1-CE1 3.87Å; I549-F555 HydrophobicContact CG1-CZ 3.91Å; I549-F555 HydrophobicContact CG2-CD1 3.84Å; I549-F555 HydrophobicContact CG2-CD2 4.11Å; I549-F555 HydrophobicContact CG2-CE1 3.58Å; I549-F555 HydrophobicContact CG2-CE2 3.84Å; I549-F555 HydrophobicContact CG2-CG 4.11Å; I549-F555 HydrophobicContact CG2-CZ 3.56Å; F555-A559 HydrophobicContact CB-CB 3.73Å; F555-A559 HydrophobicContact CD1-CB 3.98Å; F555-A559 HydrophobicContact CG-CB 4.17Å; F555-Q561 HydrophobicContact CD1-CG 4.19Å; F555-Q561 HydrophobicContact CD2-CG 3.86Å; F555-Q561 HydrophobicContact CE1-CG 4.2Å; F555-Q561 HydrophobicContact CE2-CG 3.89Å; F555-Q561 HydrophobicContact CG-CG 4.02Å; F555-Q561 HydrophobicContact CZ-CG 4.06Å; F555-F566 HydrophobicContact CE1-CE1 4.22Å; F555-F566 HydrophobicContact CE2-CE1 4.25Å; F555-F566 HydrophobicContact CE2-CZ 4.43Å; F555-F566 HydrophobicContact CZ-CD1 4.28Å; F555-F566 AromaticContact CZ-CE1 3.44Å; F555-F566 HydrophobicContact CZ-CE1 3.44Å; F555-F566 VanDerWaalsContact CZ-CE1 3.44Å; F555-F566 AromaticContact CZ-CZ 3.93Å; F555-F566 HydrophobicContact CZ-CZ 3.93Å; F555-V578 HydrophobicContact CD1-CG1 3.75Å; F555-V578 HydrophobicContact CD1-CG2 4.39Å; F555-V578 HydrophobicContact CE1-CG1 3.89Å; F555-V578 HydrophobicContact CE1-CG2 4.1Å
556T93.1Very high89.2Confident46 Ų4659 Ų5928%0.28231%0.311SS..  trans-79.1164.4158.852.20000110.4A530 D558 A559A530-T556 WeakPolarHBondContact CA-OG1 3.36Å; A530-T556 VanDerWaalsContact CB-OG1 3.29Å; A530-T556 WeakPolarHBondContact CB-OG1 3.05Å; A530-T556 PolarHBondContact O-N 3.37Å; A530-T556 PolarHBondContact O-OG1 3.29Å; T556-D558 WeakPolarHBondContact CB-OD1 3.4Å; T556-D558 PolarHBondContact O-N 2.85Å; T556-D558 PolarHBondContact OG1-OD1 3.17Å; T556-A559 VanDerWaalsContact O-CB 3.31Å; T556-A559 WeakPolarHBondContact O-CB 3.14Å; T556-A559 PolarHBondContact O-N 2.9Å
557E89.7Confident88.3Confident202 Ų20258.7 Ų58.794%0.94432%0.315SS*.THydrogen-bonded Turntrans-64.7-22.9-176.6-64.6-178.2174.500113.4
558D93.3Very high87.8Confident58 Ų5859.5 Ų59.531%0.3132%0.316SS..THydrogen-bonded Turntrans-92.98179.662-22.1000113.7T556 K580 I581T556-D558 WeakPolarHBondContact CB-OD1 3.4Å; T556-D558 PolarHBondContact O-N 2.85Å; T556-D558 PolarHBondContact OG1-OD1 3.17Å; D558-K580 CarbonylContact O-C 3.37Å; D558-K580 WeakPolarHBondContact O-CA 3.31Å; D558-K580 VanDerWaalsContact OD2-CD 3.24Å; D558-K580 WeakPolarHBondContact OD2-CD 3.39Å; D558-K580 WeakPolarHBondContact OD2-CE 3.45Å; D558-K580 IonicContact OD2-NZ 2.67Å; D558-K580 PolarHBondContact OD2-NZ 2.63Å; D558-I581 PolarHBondContact O-N 2.9Å
559A90.7Very high87.4Confident8 Ų864.8 Ų64.87%0.06634%0.343CS..BIsolated β-bridgetrans-73.6130.5-17900000113.3A530 F555 T556 Q561 V578A530-A559 HydrophobicContact CB-CB 3.54Å; A530-A559 WeakPolarHBondContact O-CB 3.3Å; F555-A559 HydrophobicContact CB-CB 3.73Å; F555-A559 HydrophobicContact CD1-CB 3.98Å; F555-A559 HydrophobicContact CG-CB 4.17Å; T556-A559 VanDerWaalsContact O-CB 3.31Å; T556-A559 WeakPolarHBondContact O-CB 3.14Å; T556-A559 PolarHBondContact O-N 2.9Å; A559-Q561 PolarHBondContact O-N 2.8Å; A559-V578 HydrophobicContact CB-CG1 3.9Å
560D88.5Confident87.1Confident23 Ų2365.1 Ų65.112%0.12335%0.345CS..  trans-8687.7171.6-164.8-12.7000111N562 Q563 P579 I581D560-N562 PolarHBondContact O-N 3.21Å; D560-N562 WeakPolarHBondContact OD1-CB 3.18Å; D560-N562 PolarHBondContact OD1-N 3.38Å; D560-N562 VanDerWaalsContact OD1-N 3.16Å; D560-Q563 PolarHBondContact OD2-NE2 3.16Å; D560-P579 HydrophobicContact CB-CG 4.22Å; D560-P579 PolarHBondContact N-O 3.27Å; D560-I581 HydrophobicContact CB-CG1 4.17Å
561Q88Confident86.7Confident88 Ų8862.9 Ų62.941%0.41134%0.34SS..G310 helixtrans-66.4-20.5179.2-73.4178.558.800113.2F555 A559 Q563 M564 F566F555-Q561 HydrophobicContact CD1-CG 4.19Å; F555-Q561 HydrophobicContact CD2-CG 3.86Å; F555-Q561 HydrophobicContact CE1-CG 4.2Å; F555-Q561 HydrophobicContact CE2-CG 3.89Å; F555-Q561 HydrophobicContact CG-CG 4.02Å; F555-Q561 HydrophobicContact CZ-CG 4.06Å; A559-Q561 PolarHBondContact O-N 2.8Å; Q561-Q563 VanDerWaalsContact C-N 3.3Å; Q561-Q563 PolarHBondContact O-N 3.31Å; Q561-M564 PolarHBondContact O-N 2.86Å; Q561-F566 HydrophobicContact CB-CE2 4.34Å; Q561-F566 HydrophobicContact CB-CZ 3.75Å; Q561-F566 HydrophobicContact CG-CZ 4.12Å; Q561-F566 WeakPolarHBondContact O-CZ 3.31Å
562N81.3Confident86.5Confident154 Ų15460.8 Ų60.882%0.82433%0.329SS*.G310 helixtrans-75.7-19.7-174.9-61.7-45000113D560 M564D560-N562 PolarHBondContact O-N 3.21Å; D560-N562 WeakPolarHBondContact OD1-CB 3.18Å; D560-N562 PolarHBondContact OD1-N 3.38Å; D560-N562 VanDerWaalsContact OD1-N 3.16Å; N562-M564 VanDerWaalsContact C-N 3.26Å; N562-M564 PolarHBondContact O-N 3.41Å
563Q77.6Confident86Confident90 Ų9068.1 Ų68.142%0.42136%0.363SS..G310 helixtrans-84.41.7178-63.8-16862.100113.1D560 Q561 P579 E583D560-Q563 PolarHBondContact OD2-NE2 3.16Å; Q561-Q563 VanDerWaalsContact C-N 3.3Å; Q561-Q563 PolarHBondContact O-N 3.31Å; Q563-P579 HydrophobicContact CB-CG 3.96Å; Q563-P579 HydrophobicContact CG-CG 4.47Å; Q563-E583 PolarHBondContact NE2-O 3.16Å
564M78.1Confident85.9Confident30 Ų3067.4 Ų67.415%0.14835%0.351CS..  trans-113.9131.8-169.3-60-63.4-71.800112L545 Q561 N562 F566 I576 Y577 V578L545-M564 HydrophobicContact CD1-CE 3.74Å; L545-M564 HydrophobicContact CD2-CE 3.7Å; L545-M564 HydrophobicContact CG-CE 4.26Å; Q561-M564 PolarHBondContact O-N 2.86Å; N562-M564 VanDerWaalsContact C-N 3.26Å; N562-M564 PolarHBondContact O-N 3.41Å; M564-F566 HydrophobicContact CB-CD1 4.08Å; M564-F566 HydrophobicContact CB-CE1 3.45Å; M564-F566 VanDerWaalsContact CB-CE1 3.45Å; M564-F566 HydrophobicContact CB-CZ 3.84Å; M564-F566 HydrophobicContact CG-CE1 4.27Å; M564-F566 PolarHBondContact O-N 3.36Å; M564-I576 HydrophobicContact CE-CG2 3.9Å; M564-Y577 WeakPolarHBondContact CE-O 3.38Å; M564-Y577 VanDerWaalsContact SD-O 3.38Å; M564-V578 HydrophobicContact CE-CG2 4.1Å
565N82.2Confident85.7Confident95 Ų9569.5 Ų69.551%0.50836%0.358SS..  trans-88.588.4170.1-176.5-2.3000110.6S567 K568N565-S567 PolarHBondContact O-N 2.99Å; N565-S567 PolarHBondContact OD1-N 3.14Å; N565-S567 VanDerWaalsContact OD1-N 3.12Å; N565-S567 PolarHBondContact OD1-OG 2.97Å; N565-K568 HydrophobicContact CB-CB 4.32Å; N565-K568 VanDerWaalsContact O-CB 3.26Å; N565-K568 WeakPolarHBondContact O-CB 3.33Å; N565-K568 PolarHBondContact O-N 3.48Å; N565-K568 PolarHBondContact OD1-N 3Å
566F84.6Confident85.5Confident64 Ų6468.3 Ų68.328%0.28135%0.353SS..THydrogen-bonded Turntrans-59-19.4179.7-57.6-48.2000114.5L545 M546 F555 Q561 M564L545-F566 HydrophobicContact CD2-CD1 3.84Å; L545-F566 HydrophobicContact CD2-CE1 4.31Å; M546-F566 HydrophobicContact CB-CB 4.28Å; M546-F566 HydrophobicContact SD-CD1 4.15Å; M546-F566 HydrophobicContact SD-CG 4.42Å; F555-F566 HydrophobicContact CE1-CE1 4.22Å; F555-F566 HydrophobicContact CE2-CE1 4.25Å; F555-F566 HydrophobicContact CE2-CZ 4.43Å; F555-F566 HydrophobicContact CZ-CD1 4.28Å; F555-F566 AromaticContact CZ-CE1 3.44Å; F555-F566 HydrophobicContact CZ-CE1 3.44Å; F555-F566 VanDerWaalsContact CZ-CE1 3.44Å; F555-F566 AromaticContact CZ-CZ 3.93Å; F555-F566 HydrophobicContact CZ-CZ 3.93Å; Q561-F566 HydrophobicContact CB-CE2 4.34Å; Q561-F566 HydrophobicContact CB-CZ 3.75Å; Q561-F566 HydrophobicContact CG-CZ 4.12Å; Q561-F566 WeakPolarHBondContact O-CZ 3.31Å; M564-F566 HydrophobicContact CB-CD1 4.08Å; M564-F566 HydrophobicContact CB-CE1 3.45Å; M564-F566 VanDerWaalsContact CB-CE1 3.45Å; M564-F566 HydrophobicContact CB-CZ 3.84Å; M564-F566 HydrophobicContact CG-CE1 4.27Å; M564-F566 PolarHBondContact O-N 3.36Å
567S73Confident85.4Confident61 Ų6168.7 Ų68.743%0.42735%0.35SS..THydrogen-bonded Turntrans-86.8-9.6178.375.50000114.3N565 L569N565-S567 PolarHBondContact O-N 2.99Å; N565-S567 PolarHBondContact OD1-N 3.14Å; N565-S567 VanDerWaalsContact OD1-N 3.12Å; N565-S567 PolarHBondContact OD1-OG 2.97Å; S567-L569 PolarHBondContact O-N 3.08Å
568K80.5Confident85.5Confident80 Ų8059 Ų5935%0.34831%0.305SS..PPolyproline II helixtrans-58.3125.1179.5-173.1-174.4179.5-1690109.6R544 L545 N565 E574R544-K568 CarbonylContact C-O 3.54Å; R544-K568 WeakPolarHBondContact CA-O 3.44Å; L545-K568 HydrophobicContact CB-CB 4.47Å; L545-K568 PolarHBondContact N-O 3.27Å; N565-K568 HydrophobicContact CB-CB 4.32Å; N565-K568 VanDerWaalsContact O-CB 3.26Å; N565-K568 WeakPolarHBondContact O-CB 3.33Å; N565-K568 PolarHBondContact O-N 3.48Å; N565-K568 PolarHBondContact OD1-N 3Å; K568-E574 WeakPolarHBondContact CE-OE1 3.35Å; K568-E574 IonicContact NZ-OE1 3.34Å; K568-E574 PolarHBondContact NZ-OE1 3.09Å
569L85.1Confident85.3Confident111 Ų11156.3 Ų56.358%0.58129%0.29SS*.BIsolated β-bridgetrans-67.7134169.1-80.4167000109.3R544 S567R544-L569 HydrophobicContact CG-CD2 4.38Å; S567-L569 PolarHBondContact O-N 3.08Å
570L87.9Confident85.2Confident7 Ų760.7 Ų60.74%0.03731%0.308CS..PPolyproline II helixtrans-81.8140.4179.7-63.5177.1000111.5W523 V525 I539 M543 R544 L545 A548 E574 I576W523-L570 WeakPolarHBondContact CZ3-O 3.34Å; V525-L570 HydrophobicContact CG1-CB 4.14Å; V525-L570 HydrophobicContact CG1-CD1 4.1Å; V525-L570 HydrophobicContact CG1-CD2 4.28Å; V525-L570 HydrophobicContact CG1-CG 4.4Å; V525-L570 HydrophobicContact CG2-CD1 4.42Å; I539-L570 HydrophobicContact CD1-CB 3.75Å; I539-L570 HydrophobicContact CD1-CD1 4.35Å; I539-L570 HydrophobicContact CG2-CD1 4.3Å; M543-L570 PolarHBondContact O-N 3.19Å; R544-L570 VanDerWaalsContact O-CD1 3.31Å; R544-L570 WeakPolarHBondContact O-CD1 3.32Å; L545-L570 HydrophobicContact CB-CD2 4.2Å; A548-L570 HydrophobicContact CB-CD1 3.53Å; L570-E574 WeakPolarHBondContact CA-OE2 3.42Å; L570-I576 HydrophobicContact CD1-CD1 4.02Å; L570-I576 HydrophobicContact CD2-CD1 3.47Å; L570-I576 VanDerWaalsContact CD2-CD1 3.47Å; L570-I576 HydrophobicContact CD2-CG1 4.04Å; L570-I576 HydrophobicContact CG-CD1 4.39Å
571A85.5Confident84.9Confident48 Ų4865.4 Ų65.440%0.39733%0.332SS..PPolyproline II helixtrans-100.3158.6168.800000111.2E574A571-E574 PolarHBondContact N-OE2 3.4Å; A571-E574 WeakPolarHBondContact O-CB 3.47Å
572D88.2Confident84.5Confident37 Ų3764.8 Ų64.820%0.19835%0.349CS..THydrogen-bonded Turntrans-61.3140.8168-171.933.9000110.3W523 Y524 E574W523-D572 VanDerWaalsContact CA-OD1 3.28Å; W523-D572 WeakPolarHBondContact CA-OD1 3.41Å; W523-D572 HydrophobicContact CB-CB 4.1Å; W523-D572 HydrophobicContact CD2-CB 3.88Å; W523-D572 HydrophobicContact CE3-CB 4.47Å; W523-D572 HydrophobicContact CG-CB 3.69Å; Y524-D572 PolarHBondContact N-OD1 2.94Å; D572-E574 PolarHBondContact O-N 3.16Å
573Q83.3Confident84.6Confident154 Ų15460.5 Ų60.572%0.7232%0.324SS*.THydrogen-bonded Turntrans67.115.9179.1-56.8157.749.200115.1Y524Y524-Q573 WeakPolarHBondContact O-CA 3.49Å; Y524-Q573 PolarHBondContact O-N 2.95Å
574E87.4Confident84.3Confident17 Ų1764.8 Ų64.88%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-74.8141.8176.7-172.6176.4166.800112V525 D526 K568 L570 A571 D572V525-E574 VanDerWaalsContact CA-O 3.28Å; V525-E574 WeakPolarHBondContact CA-O 3.49Å; V525-E574 WeakPolarHBondContact CB-O 3.23Å; V525-E574 HydrophobicContact CG1-CB 3.99Å; D526-E574 PolarHBondContact N-O 3.5Å; K568-E574 WeakPolarHBondContact CE-OE1 3.35Å; K568-E574 IonicContact NZ-OE1 3.34Å; K568-E574 PolarHBondContact NZ-OE1 3.09Å; L570-E574 WeakPolarHBondContact CA-OE2 3.42Å; A571-E574 PolarHBondContact N-OE2 3.4Å; A571-E574 WeakPolarHBondContact O-CB 3.47Å; D572-E574 PolarHBondContact O-N 3.16Å
575I88.2Confident83.5Confident58 Ų5866.5 Ų66.530%0.29736%0.356SS..EExtended strand (participates in β ladder)trans-102.3119.8172.9-60.7173.9000108.5D526 K528 I588D526-I575 HydrophobicContact CB-CG1 4.26Å; D526-I575 CarbonylContact O-C 3.56Å; D526-I575 WeakPolarHBondContact O-CA 3.48Å; K528-I575 HydrophobicContact CD-CG2 4.41Å; I575-I588 HydrophobicContact CD1-CG2 3.83Å; I575-I588 HydrophobicContact CG2-CD1 3.79Å; I575-I588 HydrophobicContact CG2-CG2 4.45Å
576I89.2Confident82.3Confident4 Ų464.6 Ų64.62%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-101.6109.9176.8-58.1165.1000107.6V525 D526 V527 K528 L545 A548 I549 M564 L570V525-I576 HydrophobicContact CB-CD1 3.97Å; V525-I576 HydrophobicContact CG1-CD1 4.11Å; V525-I576 HydrophobicContact CG2-CD1 3.88Å; D526-I576 PolarHBondContact O-N 2.81Å; V527-I576 CarbonylContact C-O 3.54Å; V527-I576 WeakPolarHBondContact CA-O 3.32Å; V527-I576 HydrophobicContact CG2-CB 4.34Å; V527-I576 HydrophobicContact CG2-CD1 4.1Å; K528-I576 PolarHBondContact N-O 3.02Å; L545-I576 HydrophobicContact CD1-CG2 4.04Å; L545-I576 HydrophobicContact CD2-CG2 4.31Å; L545-I576 HydrophobicContact CG-CD1 4.49Å; L545-I576 HydrophobicContact CG-CG2 3.95Å; A548-I576 HydrophobicContact CB-CD1 3.47Å; A548-I576 VanDerWaalsContact CB-CD1 3.47Å; I549-I576 HydrophobicContact CD1-CG2 4.08Å; M564-I576 HydrophobicContact CE-CG2 3.9Å; L570-I576 HydrophobicContact CD1-CD1 4.02Å; L570-I576 HydrophobicContact CD2-CD1 3.47Å; L570-I576 VanDerWaalsContact CD2-CD1 3.47Å; L570-I576 HydrophobicContact CD2-CG1 4.04Å; L570-I576 HydrophobicContact CG-CD1 4.39Å
577Y91.6Very high80.2Confident53 Ų5368 Ų6821%0.20837%0.374CS..EExtended strand (participates in β ladder)trans-104.5119.4175.1-169.3-88.2000110.3K528 M564 P579 E583 P586 I588K528-Y577 HydrophobicContact CB-CD2 3.82Å; K528-Y577 HydrophobicContact CB-CE2 4.35Å; M564-Y577 WeakPolarHBondContact CE-O 3.38Å; M564-Y577 VanDerWaalsContact SD-O 3.38Å; Y577-P579 HydrophobicContact CE1-CB 4.38Å; Y577-P579 WeakPolarHBondContact O-CD 3.27Å; Y577-E583 PolarHBondContact OH-OE1 3.02Å; Y577-P586 HydrophobicContact CD1-CG 4.31Å; Y577-P586 VanDerWaalsContact CE1-CD 3.43Å; Y577-P586 HydrophobicContact CE1-CG 3.88Å; Y577-P586 HydrophobicContact CE2-CG 4.29Å; Y577-I588 HydrophobicContact CD2-CD1 4.07Å; Y577-I588 HydrophobicContact CG-CD1 4.09Å
578V90.7Very high79Confident0 Ų068 Ų680%037%0.369CS..EExtended strand (participates in β ladder)trans-94108.9173.1-174.60000109K528 G529 A530 V531 I549 F555 A559 M564K528-V578 PolarHBondContact O-N 2.88Å; G529-V578 CarbonylContact C-O 3.54Å; G529-V578 VanDerWaalsContact CA-O 3.25Å; G529-V578 WeakPolarHBondContact CA-O 3.13Å; A530-V578 HydrophobicContact CB-CB 4.43Å; A530-V578 HydrophobicContact CB-CG1 4.01Å; A530-V578 PolarHBondContact N-O 2.91Å; V531-V578 HydrophobicContact CG1-CB 4.08Å; V531-V578 HydrophobicContact CG1-CG2 3.48Å; V531-V578 VanDerWaalsContact CG1-CG2 3.48Å; I549-V578 HydrophobicContact CD1-CG2 3.48Å; I549-V578 VanDerWaalsContact CD1-CG2 3.48Å; F555-V578 HydrophobicContact CD1-CG1 3.75Å; F555-V578 HydrophobicContact CD1-CG2 4.39Å; F555-V578 HydrophobicContact CE1-CG1 3.89Å; F555-V578 HydrophobicContact CE1-CG2 4.1Å; A559-V578 HydrophobicContact CB-CG1 3.9Å; M564-V578 HydrophobicContact CE-CG2 4.1Å
579P89.8Confident76.7Confident0 Ų070.9 Ų70.90%039%0.388CS..PPolyproline II helixtrans-68.8156.4178.329.1-34.3000111.7D560 Q563 Y577 E583 V585D560-P579 HydrophobicContact CB-CG 4.22Å; D560-P579 PolarHBondContact N-O 3.27Å; Q563-P579 HydrophobicContact CB-CG 3.96Å; Q563-P579 HydrophobicContact CG-CG 4.47Å; Y577-P579 HydrophobicContact CE1-CB 4.38Å; Y577-P579 WeakPolarHBondContact O-CD 3.27Å; P579-E583 HydrophobicContact CB-CB 4.18Å; P579-E583 HydrophobicContact CB-CG 4.49Å; P579-V585 HydrophobicContact CB-CG2 4.16Å; P579-V585 HydrophobicContact CG-CG2 3.9Å
580K89.5Confident74.1Confident100 Ų10070.9 Ų70.944%0.43539%0.386SS..BIsolated β-bridgetrans-78.4159.4164.3-64.2179.3179.8-135.80111.2A530 D558 G582 E583A530-K580 HydrophobicContact CB-CG 4.03Å; D558-K580 CarbonylContact O-C 3.37Å; D558-K580 WeakPolarHBondContact O-CA 3.31Å; D558-K580 VanDerWaalsContact OD2-CD 3.24Å; D558-K580 WeakPolarHBondContact OD2-CD 3.39Å; D558-K580 WeakPolarHBondContact OD2-CE 3.45Å; D558-K580 IonicContact OD2-NZ 2.67Å; D558-K580 PolarHBondContact OD2-NZ 2.63Å; K580-G582 PolarHBondContact O-N 3.4Å; K580-G582 VanDerWaalsContact O-N 3.08Å; K580-E583 HydrophobicContact CB-CB 4.21Å; K580-E583 PolarHBondContact N-OE2 3.08Å; K580-E583 VanDerWaalsContact O-CB 3.27Å; K580-E583 WeakPolarHBondContact O-CB 3.33Å; K580-E583 PolarHBondContact O-N 2.93Å
581I81.9Confident71.4Confident123 Ų12377.2 Ų77.263%0.63142%0.424SS*.THydrogen-bonded Turntrans-56.1116.7173.5-62170.5000109.4D558 D560D558-I581 PolarHBondContact O-N 2.9Å; D560-I581 HydrophobicContact CB-CG1 4.17Å
582G78.1Confident68.6Low75 Ų7579.5 Ų79.577%0.77344%0.437SS*.THydrogen-bonded Turntrans88.71.4-177.900000115.6K580K580-G582 PolarHBondContact O-N 3.4Å; K580-G582 VanDerWaalsContact O-N 3.08Å
583E83.6Confident66Low64 Ų6482.8 Ų82.830%0.29946%0.461SS..PPolyproline II helixtrans-83.8130.1173-174.4170.3-153.500110.5Q563 Y577 P579 K580Q563-E583 PolarHBondContact NE2-O 3.16Å; Y577-E583 PolarHBondContact OH-OE1 3.02Å; P579-E583 HydrophobicContact CB-CB 4.18Å; P579-E583 HydrophobicContact CB-CG 4.49Å; K580-E583 HydrophobicContact CB-CB 4.21Å; K580-E583 PolarHBondContact N-OE2 3.08Å; K580-E583 VanDerWaalsContact O-CB 3.27Å; K580-E583 WeakPolarHBondContact O-CB 3.33Å; K580-E583 PolarHBondContact O-N 2.93Å
584E71.2Confident63.5Low179 Ų17982.1 Ų82.184%0.83647%0.467SS*.PPolyproline II helixtrans-71.7126.7165.4-73.8-171.7164.300108.9P586E584-P586 WeakPolarHBondContact O-CD 3.49Å; E584-P586 VanDerWaalsContact O-N 3.14Å
585V62.7Low60.7Low67 Ų6785.5 Ų85.541%0.40651%0.506SS..PPolyproline II helixtrans-56.3120.5178.5-177.80000109P579 V587P579-V585 HydrophobicContact CB-CG2 4.16Å; P579-V585 HydrophobicContact CG-CG2 3.9Å; V585-V587 PolarHBondContact O-N 3.2Å
586P56.7Low57.8Low54 Ų5486.5 Ų86.535%0.35153%0.531SS..PPolyproline II helixtrans-57.6133.4175.5-19.629.9000109.2Y577 E584 I588Y577-P586 HydrophobicContact CD1-CG 4.31Å; Y577-P586 VanDerWaalsContact CE1-CD 3.43Å; Y577-P586 HydrophobicContact CE1-CG 3.88Å; Y577-P586 HydrophobicContact CE2-CG 4.29Å; E584-P586 WeakPolarHBondContact O-CD 3.49Å; E584-P586 VanDerWaalsContact O-N 3.14Å; P586-I588 VanDerWaalsContact C-N 3.29Å; P586-I588 HydrophobicContact CB-CG1 4.35Å; P586-I588 WeakPolarHBondContact O-CG1 3.39Å; P586-I588 PolarHBondContact O-N 2.74Å
587V40.5Very low55Low135 Ų13589.8 Ų89.882%0.81857%0.566SS**  trans-67.893.4170.8-176.90000107.8V585 N589V585-V587 PolarHBondContact O-N 3.2Å; V587-N589 PolarHBondContact O-N 3.31Å
588I47.6Very low51.8Low63 Ų6393.7 Ų93.732%0.32360%0.595SS.*  trans-85.3108.8173.2-47.3179.1000106.1I575 Y577 P586 E590I575-I588 HydrophobicContact CD1-CG2 3.83Å; I575-I588 HydrophobicContact CG2-CD1 3.79Å; I575-I588 HydrophobicContact CG2-CG2 4.45Å; Y577-I588 HydrophobicContact CD2-CD1 4.07Å; Y577-I588 HydrophobicContact CG-CD1 4.09Å; P586-I588 VanDerWaalsContact C-N 3.29Å; P586-I588 HydrophobicContact CB-CG1 4.35Å; P586-I588 WeakPolarHBondContact O-CG1 3.39Å; P586-I588 PolarHBondContact O-N 2.74Å; I588-E590 PolarHBondContact O-N 2.92Å
589N31.4Very low48.9Very low140 Ų14098.8 Ų98.875%0.74963%0.631SS**  trans-60.896177.2-75.5-29.6000109.9V587 V591V587-N589 PolarHBondContact O-N 3.31Å; N589-V591 PolarHBondContact O-N 3.33Å
590E31.9Very low45.9Very low111 Ų111104.2 Ų104.252%0.51967%0.669SS.*  trans-65.9112.8170-76.1-170.6174.600109.3I588 S592I588-E590 PolarHBondContact O-N 2.92Å; E590-S592 VanDerWaalsContact C-N 3.29Å; E590-S592 PolarHBondContact O-N 3.14Å
591V30Very low43Very low140 Ų140107 Ų10785%0.84869%0.689SS**  trans-73.887.5169.5-176.30000107.3N589N589-V591 PolarHBondContact O-N 3.33Å
592S27.9Very low40.4Very low95 Ų95106.4 Ų106.466%0.66470%0.696SS**  trans-69131.2163.8-75.60000109.4E590 T594E590-S592 VanDerWaalsContact C-N 3.29Å; E590-S592 PolarHBondContact O-N 3.14Å; S592-T594 PolarHBondContact O-N 3.37Å
593P33.5Very low38.6Very low107 Ų107111.6 Ų111.670%0.69570%0.7SS**  trans-71.2117.8175.7-2.216000110.7
594T30Very low37.1Very low140 Ų140114.7 Ų114.786%0.85972%0.723SS**  trans56.1110.914246.20000120S592S592-T594 PolarHBondContact O-N 3.37Å
595G28.5Very low37.2Very low87 Ų87110.6 Ų110.690%0.89772%0.72SS**  121.598.7124.500000116.5
596G28.3Very low38.6Very low80 Ų80113 Ų11383%0.82573%0.725SS**  trans170.473.3165.500000113.6
597G29.9Very low40.3Very low72 Ų72111.6 Ų111.674%0.74271%0.714SS**  trans-63.5134.5171.200000112.2
598T24.3Very low42.9Very low135 Ų135107.1 Ų107.183%0.82869%0.686SS**  trans17.1116.9141.7-32.30000117.6
599S30.2Very low45.1Very low107 Ų107104.2 Ų104.275%0.74867%0.671SS**  168.8134.5116.2-74.60000111.4N601S599-N601 PolarHBondContact O-N 3.12Å
600S26.2Very low48.1Very low115 Ų11599 Ų9980%0.80464%0.643SS**  trans-43124.6163.651.60000113.8
601N29.4Very low51Low158 Ų15898.7 Ų98.785%0.84565%0.649SS**  trans-155.2131.1133.5-131.37.3000111S599 E603S599-N601 PolarHBondContact O-N 3.12Å; N601-E603 PolarHBondContact O-N 3.14Å
602S26.7Very low54Low111 Ų11192.1 Ų92.178%0.77661%0.609SS**  trans-74108.9175176.40000109.1
603E39.5Very low57Low184 Ų18491.4 Ų91.486%0.8660%0.598SS**  trans-129.7109.3153-86.2-174.2164.400106.2N601 A605N601-E603 PolarHBondContact O-N 3.14Å; E603-A605 PolarHBondContact O-N 2.71Å
604T52.4Low59.7Low129 Ų12988.2 Ų88.279%0.79158%0.58SS**  trans-53.8112.2169.734.30000108.7K606T604-K606 PolarHBondContact O-N 3.34Å
605A74.8Confident62.5Low93 Ų9384.6 Ų84.677%0.76956%0.564SS**PPolyproline II helixtrans-57.3123.9178.800000109.8E603E603-A605 PolarHBondContact O-N 2.71Å
606K90.5Very high65.5Low116 Ų11684.3 Ų84.350%0.50454%0.54SS..PPolyproline II helixtrans-64.5138.4177.2-65.8-175.3174.7-159.40110.1T604 D663 S664 T666T604-K606 PolarHBondContact O-N 3.34Å; K606-D663 VanDerWaalsContact CE-O 3.31Å; K606-D663 WeakPolarHBondContact CE-O 3.17Å; K606-S664 WeakPolarHBondContact CA-O 3.5Å; K606-T666 HydrophobicContact CB-CG2 4.28Å
607I92.2Very high68.6Low25 Ų2580.5 Ų80.513%0.12850%0.501CS..EExtended strand (participates in β ladder)trans-83.5122-179.9-68.5159.8000109.2I609 A612 E616 L617 Q619 L620 S664 I665 T666I607-I609 PolarHBondContact O-N 2.88Å; I607-A612 HydrophobicContact CG2-CB 3.47Å; I607-A612 VanDerWaalsContact CG2-CB 3.47Å; I607-E616 WeakPolarHBondContact CD1-O 3.38Å; I607-E616 HydrophobicContact CG2-CB 4.48Å; I607-L617 HydrophobicContact CG2-CD2 4.34Å; I607-Q619 HydrophobicContact CD1-CB 3.86Å; I607-L620 HydrophobicContact CB-CD2 4.19Å; I607-L620 HydrophobicContact CB-CG 4.46Å; I607-L620 HydrophobicContact CD1-CD2 3.63Å; I607-L620 HydrophobicContact CD1-CG 3.77Å; I607-L620 HydrophobicContact CG1-CD2 4.41Å; I607-L620 HydrophobicContact CG2-CD1 4.37Å; I607-S664 PolarHBondContact N-O 2.79Å; I607-I665 CarbonylContact O-C 3.59Å; I607-I665 VanDerWaalsContact O-CA 3.31Å; I607-I665 WeakPolarHBondContact O-CA 3.22Å; I607-T666 PolarHBondContact O-N 2.86Å
608N95.1Very high71.6Confident42 Ų4281.2 Ų81.223%0.22548%0.484CS..EExtended strand (participates in β ladder)trans-76.6115.4177.2-177.8-52.8000110.7N610 T611 A612 T666 I667N608-N610 VanDerWaalsContact C-N 3.26Å; N608-N610 PolarHBondContact O-N 3.21Å; N608-N610 WeakPolarHBondContact OD1-CA 3.32Å; N608-N610 WeakPolarHBondContact OD1-CB 3.43Å; N608-N610 PolarHBondContact OD1-N 2.95Å; N608-T611 WeakPolarHBondContact CB-OG1 3.39Å; N608-T611 PolarHBondContact O-N 2.91Å; N608-T611 PolarHBondContact OD1-N 3.03Å; N608-T611 VanDerWaalsContact OD1-N 3.11Å; N608-A612 WeakPolarHBondContact O-CA 3.39Å; N608-A612 WeakPolarHBondContact O-CB 3.46Å; N608-A612 PolarHBondContact O-N 3.38Å; N608-T666 CarbonylContact C-O 3.57Å; N608-T666 WeakPolarHBondContact CA-O 3.31Å; N608-T666 HydrophobicContact CB-CG2 3.62Å; N608-I667 PolarHBondContact ND2-O 3.45Å; N608-I667 VanDerWaalsContact ND2-O 3.16Å; N608-I667 PolarHBondContact ND2-OXT 3.19Å; N608-I667 PolarHBondContact OD1-OXT 3.47Å
609I94.4Very high74.8Confident1 Ų181.9 Ų81.91%0.00548%0.478CS..THydrogen-bonded Turntrans-68-22.7-173.8-59.4-65.3000113.2I607 L617 L620 I631 R635 F641 L647 I665 T666 I667I607-I609 PolarHBondContact O-N 2.88Å; I609-L617 HydrophobicContact CD1-CD2 3.63Å; I609-L620 HydrophobicContact CD1-CD1 3.77Å; I609-I631 HydrophobicContact CG2-CG2 3.76Å; I609-R635 PolarHBondContact O-NH1 3.43Å; I609-F641 HydrophobicContact CG2-CD2 3.63Å; I609-F641 HydrophobicContact CG2-CE2 3.75Å; I609-F641 HydrophobicContact CG2-CG 4.4Å; I609-L647 HydrophobicContact CD1-CD1 4.34Å; I609-L647 HydrophobicContact CG1-CD1 4.06Å; I609-L647 HydrophobicContact CG2-CD1 4.32Å; I609-L647 HydrophobicContact CG2-CD2 4.06Å; I609-L647 HydrophobicContact CG2-CG 4.26Å; I609-I665 HydrophobicContact CD1-CB 3.98Å; I609-I665 HydrophobicContact CD1-CG2 3.71Å; I609-I665 HydrophobicContact CG1-CB 3.9Å; I609-I665 HydrophobicContact CG1-CD1 4.41Å; I609-I665 HydrophobicContact CG1-CG2 4.23Å; I609-T666 PolarHBondContact N-O 3.44Å; I609-I667 HydrophobicContact CB-CD1 4.32Å
610N95.4Very high77.7Confident31 Ų3177 Ų7717%0.16644%0.444CS..THydrogen-bonded Turntrans-84.9-24.8177.8-73.7-44000113.5N608 R635 S640 F641 I667N608-N610 VanDerWaalsContact C-N 3.26Å; N608-N610 PolarHBondContact O-N 3.21Å; N608-N610 WeakPolarHBondContact OD1-CA 3.32Å; N608-N610 WeakPolarHBondContact OD1-CB 3.43Å; N608-N610 PolarHBondContact OD1-N 2.95Å; N610-R635 VanDerWaalsContact C-NH1 3.31Å; N610-R635 PolarHBondContact O-NH1 3.04Å; N610-S640 VanDerWaalsContact OD1-CA 3.26Å; N610-S640 WeakPolarHBondContact OD1-CA 3.33Å; N610-S640 WeakPolarHBondContact OD1-CB 3.09Å; N610-F641 PolarHBondContact ND2-O 3.05Å; N610-F641 PolarHBondContact OD1-N 2.95Å; N610-I667 VanDerWaalsContact ND2-CG2 3.33Å; N610-I667 WeakPolarHBondContact ND2-CG2 3.24Å; N610-I667 PolarHBondContact ND2-OXT 3.22Å
611T92.5Very high80.6Confident105 Ų10575.8 Ų75.864%0.64444%0.435SS*.THydrogen-bonded Turntrans-112-22.2-177.7650000114N608 N613N608-T611 WeakPolarHBondContact CB-OG1 3.39Å; N608-T611 PolarHBondContact O-N 2.91Å; N608-T611 PolarHBondContact OD1-N 3.03Å; N608-T611 VanDerWaalsContact OD1-N 3.11Å; T611-N613 PolarHBondContact O-N 2.85Å
612A92Very high83.3Confident2 Ų270.5 Ų70.52%0.01742%0.418CS..  trans-61.4135.3-176.400000111.4I607 N608 E616 L617 R635I607-A612 HydrophobicContact CG2-CB 3.47Å; I607-A612 VanDerWaalsContact CG2-CB 3.47Å; N608-A612 WeakPolarHBondContact O-CA 3.39Å; N608-A612 WeakPolarHBondContact O-CB 3.46Å; N608-A612 PolarHBondContact O-N 3.38Å; A612-E616 VanDerWaalsContact CA-OE2 3.23Å; A612-E616 WeakPolarHBondContact CA-OE2 3.28Å; A612-E616 HydrophobicContact CB-CB 3.87Å; A612-L617 HydrophobicContact CB-CD2 3.86Å; A612-L617 HydrophobicContact CB-CG 3.84Å; A612-R635 VanDerWaalsContact O-CZ 3.26Å; A612-R635 PolarHBondContact O-NH1 3.46Å; A612-R635 PolarHBondContact O-NH2 2.84Å
613N90.8Very high86.3Confident80 Ų8065.5 Ų65.543%0.42838%0.382SS..  trans-77.6175.5170.668.353.2000110.9T611 A615 E616 L617T611-N613 PolarHBondContact O-N 2.85Å; N613-A615 PolarHBondContact O-N 2.86Å; N613-A615 WeakPolarHBondContact OD1-CA 3.46Å; N613-A615 WeakPolarHBondContact OD1-CB 3.41Å; N613-A615 PolarHBondContact OD1-N 2.82Å; N613-E616 PolarHBondContact N-OE2 3.35Å; N613-E616 PolarHBondContact ND2-OE2 3.07Å; N613-E616 VanDerWaalsContact ND2-OE2 3.12Å; N613-E616 PolarHBondContact O-N 3.21Å; N613-E616 PolarHBondContact OD1-N 3.24Å; N613-L617 WeakPolarHBondContact O-CG 3.34Å; N613-L617 PolarHBondContact O-N 3.3Å
614A91.2Very high88.7Confident39 Ų3958.7 Ų58.732%0.32236%0.361SS..Hα-helixtrans-60.9-31.6-176.500000113.4Q618 I632A614-Q618 WeakPolarHBondContact O-CB 3.25Å; A614-Q618 WeakPolarHBondContact O-CG 3.4Å; A614-Q618 PolarHBondContact O-N 3.25Å; A614-Q618 VanDerWaalsContact O-N 3.16Å; A614-Q618 PolarHBondContact O-NE2 2.86Å; A614-I632 HydrophobicContact CB-CD1 3.72Å
615A88.5Confident90.5Very high64 Ų6458.8 Ų58.853%0.52935%0.353SS..Hα-helixtrans-76-40.5179.800000111.7N613 Q618 Q619N613-A615 PolarHBondContact O-N 2.86Å; N613-A615 WeakPolarHBondContact OD1-CA 3.46Å; N613-A615 WeakPolarHBondContact OD1-CB 3.41Å; N613-A615 PolarHBondContact OD1-N 2.82Å; A615-Q618 PolarHBondContact O-N 2.99Å; A615-Q619 PolarHBondContact O-N 3.34Å
616E90.8Very high91.3Very high82 Ų8262.1 Ų62.138%0.38335%0.35SS..Hα-helixtrans-62.7-46.2173.1-69.3169.614100110.6I607 A612 N613 Q618 Q619I607-E616 WeakPolarHBondContact CD1-O 3.38Å; I607-E616 HydrophobicContact CG2-CB 4.48Å; A612-E616 VanDerWaalsContact CA-OE2 3.23Å; A612-E616 WeakPolarHBondContact CA-OE2 3.28Å; A612-E616 HydrophobicContact CB-CB 3.87Å; N613-E616 PolarHBondContact N-OE2 3.35Å; N613-E616 PolarHBondContact ND2-OE2 3.07Å; N613-E616 VanDerWaalsContact ND2-OE2 3.12Å; N613-E616 PolarHBondContact O-N 3.21Å; N613-E616 PolarHBondContact OD1-N 3.24Å; E616-Q618 PolarHBondContact O-N 3.19Å; E616-Q619 VanDerWaalsContact O-CB 3.31Å; E616-Q619 WeakPolarHBondContact O-CB 3.34Å; E616-Q619 PolarHBondContact O-N 3.13Å
617L93.9Very high91.5Very high0 Ų060.5 Ų60.50%034%0.341CS..Hα-helixtrans-59.8-33.1175.8-71.5173.6000112.8I607 I609 A612 N613 Q619 L620 I623 A628 I631 I632I607-L617 HydrophobicContact CG2-CD2 4.34Å; I609-L617 HydrophobicContact CD1-CD2 3.63Å; A612-L617 HydrophobicContact CB-CD2 3.86Å; A612-L617 HydrophobicContact CB-CG 3.84Å; N613-L617 WeakPolarHBondContact O-CG 3.34Å; N613-L617 PolarHBondContact O-N 3.3Å; L617-Q619 PolarHBondContact O-N 3.43Å; L617-L620 HydrophobicContact CD2-CD1 4.15Å; L617-L620 VanDerWaalsContact O-CB 3.26Å; L617-L620 WeakPolarHBondContact O-CB 3.34Å; L617-L620 PolarHBondContact O-N 3.46Å; L617-L620 VanDerWaalsContact O-N 3.16Å; L617-I623 HydrophobicContact CB-CG2 4.36Å; L617-I623 WeakPolarHBondContact O-CB 3.44Å; L617-I623 VanDerWaalsContact O-CG2 3.3Å; L617-I623 WeakPolarHBondContact O-CG2 3.24Å; L617-A628 HydrophobicContact CB-CB 3.88Å; L617-A628 HydrophobicContact CD1-CB 4.4Å; L617-I631 HydrophobicContact CD1-CB 4.21Å; L617-I631 HydrophobicContact CD1-CG2 3.91Å; L617-I631 HydrophobicContact CD2-CG2 4.42Å; L617-I632 HydrophobicContact CD1-CD1 4.05Å; L617-I632 HydrophobicContact CD1-CG1 3.73Å
618Q93.3Very high91.6Very high86 Ų8659.3 Ų59.340%0.40233%0.334SS..THydrogen-bonded Turntrans-72.4-10.8177.5-77.9171.670.800114.1A614 A615 E616 L620 I623 A628A614-Q618 WeakPolarHBondContact O-CB 3.25Å; A614-Q618 WeakPolarHBondContact O-CG 3.4Å; A614-Q618 PolarHBondContact O-N 3.25Å; A614-Q618 VanDerWaalsContact O-N 3.16Å; A614-Q618 PolarHBondContact O-NE2 2.86Å; A615-Q618 PolarHBondContact O-N 2.99Å; E616-Q618 PolarHBondContact O-N 3.19Å; Q618-L620 PolarHBondContact O-N 3.45Å; Q618-I623 WeakPolarHBondContact CA-O 3.15Å; Q618-A628 HydrophobicContact CG-CB 3.95Å
619Q90.6Very high91.6Very high150 Ų15059.8 Ų59.870%0.70134%0.344SS*.THydrogen-bonded Turntrans-74.2-13.8170.1-60.5178.11.800112.1I607 A615 E616 L617I607-Q619 HydrophobicContact CD1-CB 3.86Å; A615-Q619 PolarHBondContact O-N 3.34Å; E616-Q619 VanDerWaalsContact O-CB 3.31Å; E616-Q619 WeakPolarHBondContact O-CB 3.34Å; E616-Q619 PolarHBondContact O-N 3.13Å; L617-Q619 PolarHBondContact O-N 3.43Å
620L91.3Very high91.7Very high5 Ų562 Ų623%0.02636%0.356CS..SBendtrans-77.7128.7177.8-65171.8000111.5I607 I609 L617 Q618 G622 I623 L661 I665I607-L620 HydrophobicContact CB-CD2 4.19Å; I607-L620 HydrophobicContact CB-CG 4.46Å; I607-L620 HydrophobicContact CD1-CD2 3.63Å; I607-L620 HydrophobicContact CD1-CG 3.77Å; I607-L620 HydrophobicContact CG1-CD2 4.41Å; I607-L620 HydrophobicContact CG2-CD1 4.37Å; I609-L620 HydrophobicContact CD1-CD1 3.77Å; L617-L620 HydrophobicContact CD2-CD1 4.15Å; L617-L620 VanDerWaalsContact O-CB 3.26Å; L617-L620 WeakPolarHBondContact O-CB 3.34Å; L617-L620 PolarHBondContact O-N 3.46Å; L617-L620 VanDerWaalsContact O-N 3.16Å; Q618-L620 PolarHBondContact O-N 3.45Å; L620-G622 PolarHBondContact O-N 2.83Å; L620-G622 VanDerWaalsContact O-N 3.14Å; L620-I623 HydrophobicContact CB-CB 4.02Å; L620-I623 HydrophobicContact CB-CG1 3.78Å; L620-I623 HydrophobicContact CD1-CG1 4.35Å; L620-I623 PolarHBondContact O-N 2.84Å; L620-L661 HydrophobicContact CB-CD2 3.65Å; L620-L661 HydrophobicContact CD1-CD2 4.4Å; L620-L661 HydrophobicContact CD2-CD2 4.33Å; L620-L661 HydrophobicContact CG-CD2 4.36Å; L620-I665 HydrophobicContact CD1-CG2 3.51Å; L620-I665 HydrophobicContact CD2-CG2 3.46Å; L620-I665 VanDerWaalsContact CD2-CG2 3.46Å; L620-I665 HydrophobicContact CG-CG2 4.13Å
621S86.7Confident91.7Very high89 Ų8960.6 Ų60.662%0.62235%0.349SS*.THydrogen-bonded Turntrans-56.1119.7178.3-173.60000111.4L661S621-L661 WeakPolarHBondContact O-CD2 3.29Å
622G86.3Confident91.8Very high46 Ų4656.8 Ų56.847%0.47432%0.324SS..THydrogen-bonded Turntrans87.4-0.1-178.400000115.4L620 R627L620-G622 PolarHBondContact O-N 2.83Å; L620-G622 VanDerWaalsContact O-N 3.14Å; G622-R627 WeakPolarHBondContact O-CD 3.29Å; G622-R627 PolarHBondContact O-NH1 2.8Å
623I91.1Very high92Very high7 Ų762 Ų624%0.03635%0.346CS..  trans-99.796.1171.7-58.6-57.8000109.3L617 Q618 L620 R627 A628 I631 I653 L661L617-I623 HydrophobicContact CB-CG2 4.36Å; L617-I623 WeakPolarHBondContact O-CB 3.44Å; L617-I623 VanDerWaalsContact O-CG2 3.3Å; L617-I623 WeakPolarHBondContact O-CG2 3.24Å; Q618-I623 WeakPolarHBondContact CA-O 3.15Å; L620-I623 HydrophobicContact CB-CB 4.02Å; L620-I623 HydrophobicContact CB-CG1 3.78Å; L620-I623 HydrophobicContact CD1-CG1 4.35Å; L620-I623 PolarHBondContact O-N 2.84Å; I623-R627 HydrophobicContact CD1-CB 4.07Å; I623-R627 HydrophobicContact CG2-CB 4.08Å; I623-A628 HydrophobicContact CG2-CB 3.96Å; I623-I631 HydrophobicContact CD1-CD1 4.06Å; I623-I631 HydrophobicContact CG2-CD1 4.27Å; I623-I653 HydrophobicContact CD1-CD1 4.1Å; I623-L661 HydrophobicContact CD1-CD1 3.78Å; I623-L661 HydrophobicContact CG1-CD1 3.98Å; I623-L661 HydrophobicContact CG1-CD2 4.08Å
624G88.8Confident92.2Very high40 Ų4060.5 Ų60.541%0.41234%0.335SS..  trans-82.5174.416700000112K626 R627 A628G624-K626 VanDerWaalsContact C-N 3.33Å; G624-K626 PolarHBondContact O-N 2.96Å; G624-R627 PolarHBondContact O-N 2.79Å; G624-A628 PolarHBondContact O-N 3.46Å
625E90.5Very high92.4Very high132 Ų13260.6 Ų60.662%0.61733%0.327SS*.Hα-helixtrans-46.6-49.2-178.2-173.5179.7-177.300113.9R627 A628 A629E625-R627 VanDerWaalsContact C-N 3.35Å; E625-R627 PolarHBondContact O-N 3.05Å; E625-A628 PolarHBondContact O-N 2.85Å; E625-A629 WeakPolarHBondContact O-CB 3.18Å; E625-A629 PolarHBondContact O-N 3.2Å
626K91.6Very high92.5Very high163 Ų16364.6 Ų64.671%0.70934%0.335SS*.Hα-helixtrans-58.3-44.5178.3-178.2174.9179.61780112.4G624 A629 D630G624-K626 VanDerWaalsContact C-N 3.33Å; G624-K626 PolarHBondContact O-N 2.96Å; K626-A629 PolarHBondContact O-N 2.97Å; K626-D630 WeakPolarHBondContact O-CB 3.48Å; K626-D630 PolarHBondContact O-N 3.39Å
627R93.5Very high92.6Very high81 Ų8167 Ų6731%0.30635%0.346SS..Hα-helixtrans-69.6-38.3179.1-75.4-179.6169.3169.3-3.6111.5G622 I623 G624 E625 A629 D630 I631 G652G622-R627 WeakPolarHBondContact O-CD 3.29Å; G622-R627 PolarHBondContact O-NH1 2.8Å; I623-R627 HydrophobicContact CD1-CB 4.07Å; I623-R627 HydrophobicContact CG2-CB 4.08Å; G624-R627 PolarHBondContact O-N 2.79Å; E625-R627 VanDerWaalsContact C-N 3.35Å; E625-R627 PolarHBondContact O-N 3.05Å; R627-A629 VanDerWaalsContact C-N 3.34Å; R627-D630 PolarHBondContact O-N 2.91Å; R627-I631 VanDerWaalsContact O-CG1 3.24Å; R627-I631 WeakPolarHBondContact O-CG1 3.39Å; R627-I631 PolarHBondContact O-N 3.26Å; R627-G652 VanDerWaalsContact CZ-O 3.3Å; R627-G652 PolarHBondContact NE-O 2.84Å; R627-G652 PolarHBondContact NH2-O 2.88Å
628A95.8Very high92.6Very high0 Ų071.8 Ų71.80%037%0.371CS..Hα-helixtrans-61.4-44174.200000111.2L617 Q618 I623 G624 E625 I631 I632L617-A628 HydrophobicContact CB-CB 3.88Å; L617-A628 HydrophobicContact CD1-CB 4.4Å; Q618-A628 HydrophobicContact CG-CB 3.95Å; I623-A628 HydrophobicContact CG2-CB 3.96Å; G624-A628 PolarHBondContact O-N 3.46Å; E625-A628 PolarHBondContact O-N 2.85Å; A628-I631 PolarHBondContact O-N 3.18Å; A628-I632 VanDerWaalsContact O-CG1 3.31Å; A628-I632 WeakPolarHBondContact O-CG1 3.21Å; A628-I632 PolarHBondContact O-N 2.9Å
629A95Very high92.4Very high52 Ų5269.3 Ų69.343%0.4337%0.37SS..Hα-helixtrans-62.9-42.9174.500000112.2E625 K626 R627 I631 I632 K633E625-A629 WeakPolarHBondContact O-CB 3.18Å; E625-A629 PolarHBondContact O-N 3.2Å; K626-A629 PolarHBondContact O-N 2.97Å; R627-A629 VanDerWaalsContact C-N 3.34Å; A629-I631 PolarHBondContact O-N 3.26Å; A629-I632 PolarHBondContact O-N 2.97Å; A629-K633 VanDerWaalsContact O-CB 3.23Å; A629-K633 WeakPolarHBondContact O-CB 3.16Å; A629-K633 PolarHBondContact O-N 3.22Å
630D95.8Very high92.5Very high48 Ų4865.5 Ų65.526%0.25736%0.359SS..Hα-helixtrans-64.8-36.9177.7-69.7-29.3000112K626 R627 Y634 V650K626-D630 WeakPolarHBondContact O-CB 3.48Å; K626-D630 PolarHBondContact O-N 3.39Å; R627-D630 PolarHBondContact O-N 2.91Å; D630-Y634 VanDerWaalsContact O-CB 3.28Å; D630-Y634 WeakPolarHBondContact O-CB 3.44Å; D630-Y634 PolarHBondContact O-N 2.94Å; D630-V650 HydrophobicContact CB-CG1 3.61Å
631I95.4Very high92.6Very high1 Ų165.5 Ų65.51%0.00536%0.359CS..Hα-helixtrans-63.7-48.7173.6-69.3166.2000110.7I609 L617 I623 R627 A628 A629 Y634 R635 F641 L647 V650 I653I609-I631 HydrophobicContact CG2-CG2 3.76Å; L617-I631 HydrophobicContact CD1-CB 4.21Å; L617-I631 HydrophobicContact CD1-CG2 3.91Å; L617-I631 HydrophobicContact CD2-CG2 4.42Å; I623-I631 HydrophobicContact CD1-CD1 4.06Å; I623-I631 HydrophobicContact CG2-CD1 4.27Å; R627-I631 VanDerWaalsContact O-CG1 3.24Å; R627-I631 WeakPolarHBondContact O-CG1 3.39Å; R627-I631 PolarHBondContact O-N 3.26Å; A628-I631 PolarHBondContact O-N 3.18Å; A629-I631 PolarHBondContact O-N 3.26Å; I631-Y634 PolarHBondContact O-N 3.25Å; I631-R635 PolarHBondContact O-N 3.49Å; I631-R635 VanDerWaalsContact O-N 3.09Å; I631-F641 HydrophobicContact CG2-CE2 3.85Å; I631-F641 HydrophobicContact CG2-CZ 4.17Å; I631-L647 HydrophobicContact CD1-CD2 3.83Å; I631-L647 HydrophobicContact CG1-CD2 3.83Å; I631-L647 HydrophobicContact CG2-CD2 4.43Å; I631-V650 HydrophobicContact CG1-CG1 4.17Å; I631-V650 HydrophobicContact CG1-CG2 4.29Å; I631-I653 HydrophobicContact CD1-CD1 3.71Å; I631-I653 HydrophobicContact CG1-CD1 3.65Å
632I95.3Very high92.9Very high26 Ų2669 Ų6913%0.13337%0.365CS..Hα-helixtrans-62.9-47.9-179.5-68.3171.6000110.2A614 L617 A628 A629 Y634 R635 E636A614-I632 HydrophobicContact CB-CD1 3.72Å; L617-I632 HydrophobicContact CD1-CD1 4.05Å; L617-I632 HydrophobicContact CD1-CG1 3.73Å; A628-I632 VanDerWaalsContact O-CG1 3.31Å; A628-I632 WeakPolarHBondContact O-CG1 3.21Å; A628-I632 PolarHBondContact O-N 2.9Å; A629-I632 PolarHBondContact O-N 2.97Å; I632-Y634 VanDerWaalsContact C-N 3.3Å; I632-Y634 PolarHBondContact O-N 2.57Å; I632-R635 WeakPolarHBondContact O-CG 3.49Å; I632-R635 PolarHBondContact O-N 2.7Å; I632-E636 HydrophobicContact CG2-CG 4.35Å; I632-E636 WeakPolarHBondContact CG2-OE1 3.28Å; I632-E636 WeakPolarHBondContact O-CB 3.48Å; I632-E636 VanDerWaalsContact O-CG 3.32Å; I632-E636 WeakPolarHBondContact O-CG 3.46Å; I632-E636 PolarHBondContact O-N 2.94Å
633K94.7Very high93.2Very high110 Ų11069.8 Ų69.848%0.47836%0.361SS..Hα-helixtrans-57.7-44.5176.2-177.7179.9176.9-176.50111.4A629 R635 E636 E637A629-K633 VanDerWaalsContact O-CB 3.23Å; A629-K633 WeakPolarHBondContact O-CB 3.16Å; A629-K633 PolarHBondContact O-N 3.22Å; K633-R635 PolarHBondContact O-N 3.13Å; K633-E636 PolarHBondContact O-N 2.85Å; K633-E637 VanDerWaalsContact CE-CD 3.42Å; K633-E637 WeakPolarHBondContact CE-OE1 2.76Å; K633-E637 WeakPolarHBondContact CE-OE2 3.35Å; K633-E637 HydrophobicContact CG-CG 4.33Å; K633-E637 IonicContact NZ-OE1 2.61Å; K633-E637 WeakPolarHBondContact O-CB 3.34Å; K633-E637 WeakPolarHBondContact O-CG 3.49Å; K633-E637 PolarHBondContact O-N 2.82Å
634Y96.2Very high93.3Very high49 Ų4971 Ų7119%0.19237%0.368CS..Hα-helixtrans-60.6-46.9179.3-174.6-83.5000112.1D630 I631 I632 E636 E637 N638 F641 K649 V650D630-Y634 VanDerWaalsContact O-CB 3.28Å; D630-Y634 WeakPolarHBondContact O-CB 3.44Å; D630-Y634 PolarHBondContact O-N 2.94Å; I631-Y634 PolarHBondContact O-N 3.25Å; I632-Y634 VanDerWaalsContact C-N 3.3Å; I632-Y634 PolarHBondContact O-N 2.57Å; Y634-E636 VanDerWaalsContact C-N 3.33Å; Y634-E636 PolarHBondContact O-N 3.47Å; Y634-E637 PolarHBondContact O-N 3Å; Y634-N638 HydrophobicContact CD1-CB 4.3Å; Y634-N638 HydrophobicContact CE1-CB 3.89Å; Y634-N638 HydrophobicContact CE2-CB 4.45Å; Y634-N638 VanDerWaalsContact O-CB 3.32Å; Y634-N638 WeakPolarHBondContact O-CB 3.08Å; Y634-N638 PolarHBondContact O-N 2.83Å; Y634-N638 PolarHBondContact O-ND2 3.03Å; Y634-F641 HydrophobicContact CD1-CD1 4.11Å; Y634-F641 AromaticContact CD1-CE1 3.24Å; Y634-F641 HydrophobicContact CD1-CE1 3.24Å; Y634-F641 HydrophobicContact CD1-CE2 4.28Å; Y634-F641 AromaticContact CD1-CZ 3.36Å; Y634-F641 HydrophobicContact CD1-CZ 3.36Å; Y634-F641 HydrophobicContact CE1-CD1 4.11Å; Y634-F641 AromaticContact CE1-CE1 3.58Å; Y634-F641 HydrophobicContact CE1-CE1 3.58Å; Y634-F641 HydrophobicContact CE1-CZ 4.16Å; Y634-F641 HydrophobicContact CG-CE1 4.13Å; Y634-F641 HydrophobicContact CG-CZ 4.02Å; Y634-K649 HydrophobicContact CE1-CB 4.3Å; Y634-K649 HydrophobicContact CE2-CB 3.62Å; Y634-K649 VanDerWaalsContact CZ-CB 3.5Å; Y634-K649 WeakPolarHBondContact OH-CB 3.46Å; Y634-K649 WeakPolarHBondContact OH-CD 3.32Å; Y634-V650 HydrophobicContact CD1-CG2 4.29Å; Y634-V650 HydrophobicContact CD2-CG2 4.28Å; Y634-V650 HydrophobicContact CG-CG2 3.85Å
635R94.5Very high93.5Very high42 Ų4273.2 Ų73.216%0.15837%0.368CS..Hα-helixtrans-70.4-27.4179.266.4179-169.6-163.25.2113.6I609 N610 A612 I631 I632 K633 G639 F641I609-R635 PolarHBondContact O-NH1 3.43Å; N610-R635 VanDerWaalsContact C-NH1 3.31Å; N610-R635 PolarHBondContact O-NH1 3.04Å; A612-R635 VanDerWaalsContact O-CZ 3.26Å; A612-R635 PolarHBondContact O-NH1 3.46Å; A612-R635 PolarHBondContact O-NH2 2.84Å; I631-R635 PolarHBondContact O-N 3.49Å; I631-R635 VanDerWaalsContact O-N 3.09Å; I632-R635 WeakPolarHBondContact O-CG 3.49Å; I632-R635 PolarHBondContact O-N 2.7Å; K633-R635 PolarHBondContact O-N 3.13Å; R635-G639 VanDerWaalsContact CA-O 3.29Å; R635-G639 WeakPolarHBondContact CA-O 3.11Å; R635-G639 CarbonylContact O-C 3.53Å; R635-G639 VanDerWaalsContact O-C 3.23Å; R635-G639 WeakPolarHBondContact O-CA 3.17Å; R635-G639 PolarHBondContact O-N 2.88Å; R635-G639 VanDerWaalsContact O-N 3.08Å; R635-F641 HydrophobicContact CB-CD2 4.09Å; R635-F641 HydrophobicContact CB-CE2 3.75Å; R635-F641 HydrophobicContact CG-CE2 4.45Å
636E91.1Very high93.7Very high148 Ų14867.9 Ų67.969%0.69234%0.344SS*.Hα-helixtrans-71.9-40.3173-74.2174176.300111.8I632 K633 Y634I632-E636 HydrophobicContact CG2-CG 4.35Å; I632-E636 WeakPolarHBondContact CG2-OE1 3.28Å; I632-E636 WeakPolarHBondContact O-CB 3.48Å; I632-E636 VanDerWaalsContact O-CG 3.32Å; I632-E636 WeakPolarHBondContact O-CG 3.46Å; I632-E636 PolarHBondContact O-N 2.94Å; K633-E636 PolarHBondContact O-N 2.85Å; Y634-E636 VanDerWaalsContact C-N 3.33Å; Y634-E636 PolarHBondContact O-N 3.47Å
637E93.2Very high93.8Very high133 Ų13360.1 Ų60.162%0.62131%0.31SS*.Hα-helixtrans-82.5-32.7-178.2-71.1179.5166.500113.5K633 Y634K633-E637 VanDerWaalsContact CE-CD 3.42Å; K633-E637 WeakPolarHBondContact CE-OE1 2.76Å; K633-E637 WeakPolarHBondContact CE-OE2 3.35Å; K633-E637 HydrophobicContact CG-CG 4.33Å; K633-E637 IonicContact NZ-OE1 2.61Å; K633-E637 WeakPolarHBondContact O-CB 3.34Å; K633-E637 WeakPolarHBondContact O-CG 3.49Å; K633-E637 PolarHBondContact O-N 2.82Å; Y634-E637 PolarHBondContact O-N 3Å
638N93.3Very high93.8Very high99 Ų9959.5 Ų59.553%0.52932%0.315SS..Hα-helixtrans-115.1-2.4-171.3-57.9-91.7000113.7Y634Y634-N638 HydrophobicContact CD1-CB 4.3Å; Y634-N638 HydrophobicContact CE1-CB 3.89Å; Y634-N638 HydrophobicContact CE2-CB 4.45Å; Y634-N638 VanDerWaalsContact O-CB 3.32Å; Y634-N638 WeakPolarHBondContact O-CB 3.08Å; Y634-N638 PolarHBondContact O-N 2.83Å; Y634-N638 PolarHBondContact O-ND2 3.03Å
639G89.3Confident93.7Very high35 Ų3565.1 Ų65.136%0.36134%0.34SS..  trans83.8175.4-171.400000113R635R635-G639 VanDerWaalsContact CA-O 3.29Å; R635-G639 WeakPolarHBondContact CA-O 3.11Å; R635-G639 CarbonylContact O-C 3.53Å; R635-G639 VanDerWaalsContact O-C 3.23Å; R635-G639 WeakPolarHBondContact O-CA 3.17Å; R635-G639 PolarHBondContact O-N 2.88Å; R635-G639 VanDerWaalsContact O-N 3.08Å
640S92.1Very high93.6Very high70 Ų7062.8 Ų62.849%0.4932%0.32SS..  trans-56.7142.6-178.7-56.80000112.6N610N610-S640 VanDerWaalsContact OD1-CA 3.26Å; N610-S640 WeakPolarHBondContact OD1-CA 3.33Å; N610-S640 WeakPolarHBondContact OD1-CB 3.09Å
641F95.2Very high93.2Very high4 Ų465.4 Ų65.42%0.01834%0.342CS..  trans-61.7139.4167.5-60-85.4000109.3I609 N610 I631 Y634 R635 D646 V650 I667I609-F641 HydrophobicContact CG2-CD2 3.63Å; I609-F641 HydrophobicContact CG2-CE2 3.75Å; I609-F641 HydrophobicContact CG2-CG 4.4Å; N610-F641 PolarHBondContact ND2-O 3.05Å; N610-F641 PolarHBondContact OD1-N 2.95Å; I631-F641 HydrophobicContact CG2-CE2 3.85Å; I631-F641 HydrophobicContact CG2-CZ 4.17Å; Y634-F641 HydrophobicContact CD1-CD1 4.11Å; Y634-F641 AromaticContact CD1-CE1 3.24Å; Y634-F641 HydrophobicContact CD1-CE1 3.24Å; Y634-F641 HydrophobicContact CD1-CE2 4.28Å; Y634-F641 AromaticContact CD1-CZ 3.36Å; Y634-F641 HydrophobicContact CD1-CZ 3.36Å; Y634-F641 HydrophobicContact CE1-CD1 4.11Å; Y634-F641 AromaticContact CE1-CE1 3.58Å; Y634-F641 HydrophobicContact CE1-CE1 3.58Å; Y634-F641 HydrophobicContact CE1-CZ 4.16Å; Y634-F641 HydrophobicContact CG-CE1 4.13Å; Y634-F641 HydrophobicContact CG-CZ 4.02Å; R635-F641 HydrophobicContact CB-CD2 4.09Å; R635-F641 HydrophobicContact CB-CE2 3.75Å; R635-F641 HydrophobicContact CG-CE2 4.45Å; F641-D646 HydrophobicContact CB-CB 4.19Å; F641-D646 HydrophobicContact CD1-CB 3.62Å; F641-D646 HydrophobicContact CG-CB 4.4Å; F641-V650 HydrophobicContact CE1-CG2 3.74Å; F641-V650 HydrophobicContact CZ-CG2 3.59Å; F641-I667 HydrophobicContact CB-CD1 3.88Å; F641-I667 WeakPolarHBondContact O-CG2 3.08Å
642H91.3Very high92.8Very high163 Ų16367.5 Ų67.576%0.75537%0.365SS*.SBendtrans-102.9-25.1-179.4-64.6-53.7000112.5D646H642-D646 WeakPolarHBondContact CA-OD2 3.36Å; H642-D646 PolarHBondContact N-OD2 3.1Å
643T94.3Very high92.6Very high62 Ų6266.5 Ų66.538%0.3836%0.359SS..SBendtrans-136.6157.8178.160.10000109.7E645 D646T643-E645 PolarHBondContact O-N 2.81Å; T643-D646 PolarHBondContact N-OD2 2.8Å; T643-D646 WeakPolarHBondContact O-CB 3.45Å; T643-D646 PolarHBondContact O-N 3.33Å; T643-D646 VanDerWaalsContact O-N 3.11Å; T643-D646 PolarHBondContact OG1-N 3.34Å; T643-D646 PolarHBondContact OG1-OD1 3.38Å; T643-D646 PolarHBondContact OG1-OD2 3.25Å
644V92.8Very high92.4Very high32 Ų3263.2 Ų63.219%0.19436%0.356CS..G310 helixtrans-60.7-34.1175.2169.80000110.3D646 L647 L658 R662 I665 I667V644-D646 PolarHBondContact O-N 3.43Å; V644-L647 WeakPolarHBondContact O-CB 3.4Å; V644-L647 PolarHBondContact O-N 3.06Å; V644-L658 HydrophobicContact CG1-CD1 3.57Å; V644-L658 HydrophobicContact CG1-CG 4.36Å; V644-L658 WeakPolarHBondContact O-CD1 3.28Å; V644-R662 HydrophobicContact CG1-CG 4.05Å; V644-I665 HydrophobicContact CG1-CD1 3.56Å; V644-I665 HydrophobicContact CG1-CG1 4.25Å; V644-I665 HydrophobicContact CG2-CD1 4.38Å; V644-I665 HydrophobicContact CG2-CG1 4.41Å; V644-I667 HydrophobicContact CG2-CD1 4.27Å; V644-I667 HydrophobicContact CG2-CG1 3.75Å
645E93.1Very high92.1Very high87 Ų8768.8 Ų68.841%0.40738%0.384SS..G310 helixtrans-59.4-27.1176.4-71.161.5-140.300113.4T643 L647 T648 R662T643-E645 PolarHBondContact O-N 2.81Å; E645-L647 PolarHBondContact O-N 2.87Å; E645-T648 WeakPolarHBondContact O-CB 3.26Å; E645-T648 PolarHBondContact O-N 2.87Å; E645-T648 VanDerWaalsContact O-N 3.09Å; E645-T648 PolarHBondContact O-OG1 3.33Å; E645-R662 IonicContact OE1-CZ 3.99Å; E645-R662 IonicContact OE1-NE 3.43Å; E645-R662 IonicContact OE1-NH2 2.63Å; E645-R662 PolarHBondContact OE1-NH2 2.81Å
646D94.4Very high91.7Very high20 Ų2074.7 Ų74.711%0.10741%0.411CS..G310 helixtrans-64.8-20.3179.5-67-43.9000113F641 H642 T643 V644 T648 K649F641-D646 HydrophobicContact CB-CB 4.19Å; F641-D646 HydrophobicContact CD1-CB 3.62Å; F641-D646 HydrophobicContact CG-CB 4.4Å; H642-D646 WeakPolarHBondContact CA-OD2 3.36Å; H642-D646 PolarHBondContact N-OD2 3.1Å; T643-D646 PolarHBondContact N-OD2 2.8Å; T643-D646 WeakPolarHBondContact O-CB 3.45Å; T643-D646 PolarHBondContact O-N 3.33Å; T643-D646 VanDerWaalsContact O-N 3.11Å; T643-D646 PolarHBondContact OG1-N 3.34Å; T643-D646 PolarHBondContact OG1-OD1 3.38Å; T643-D646 PolarHBondContact OG1-OD2 3.25Å; V644-D646 PolarHBondContact O-N 3.43Å; D646-T648 PolarHBondContact O-N 2.67Å; D646-T648 VanDerWaalsContact O-N 3.17Å; D646-K649 HydrophobicContact CB-CD 4.41Å; D646-K649 VanDerWaalsContact O-CB 3.24Å; D646-K649 WeakPolarHBondContact O-CB 3.19Å; D646-K649 WeakPolarHBondContact O-CG 3.38Å; D646-K649 PolarHBondContact O-N 2.8Å; D646-K649 VanDerWaalsContact OD1-CE 3.25Å; D646-K649 WeakPolarHBondContact OD1-CE 3.28Å; D646-K649 IonicContact OD1-NZ 3.13Å; D646-K649 PolarHBondContact OD1-NZ 3.03Å
647L93.9Very high91.6Very high1 Ų168.8 Ų68.81%0.00539%0.385CS..G310 helixtrans-58.5-25.6172.7-91.1154.3000112.9I609 I631 V644 E645 K649 V650 I653 L658 I665I609-L647 HydrophobicContact CD1-CD1 4.34Å; I609-L647 HydrophobicContact CG1-CD1 4.06Å; I609-L647 HydrophobicContact CG2-CD1 4.32Å; I609-L647 HydrophobicContact CG2-CD2 4.06Å; I609-L647 HydrophobicContact CG2-CG 4.26Å; I631-L647 HydrophobicContact CD1-CD2 3.83Å; I631-L647 HydrophobicContact CG1-CD2 3.83Å; I631-L647 HydrophobicContact CG2-CD2 4.43Å; V644-L647 WeakPolarHBondContact O-CB 3.4Å; V644-L647 PolarHBondContact O-N 3.06Å; E645-L647 PolarHBondContact O-N 2.87Å; L647-K649 PolarHBondContact O-N 3.21Å; L647-V650 WeakPolarHBondContact O-CB 3.28Å; L647-V650 PolarHBondContact O-N 3.48Å; L647-I653 HydrophobicContact CB-CG2 4.33Å; L647-I653 HydrophobicContact CD2-CD1 3.72Å; L647-I653 WeakPolarHBondContact O-CB 3.36Å; L647-L658 HydrophobicContact CB-CD1 4Å; L647-L658 HydrophobicContact CD1-CD1 4.09Å; L647-I665 HydrophobicContact CD1-CD1 3.46Å; L647-I665 VanDerWaalsContact CD1-CD1 3.46Å
648T94.1Very high91.6Very high67 Ų6762.8 Ų62.841%0.41136%0.357SS..G310 helixtrans-66.6-13.7175.3610000113.6E645 D646 V650 I653 L658E645-T648 WeakPolarHBondContact O-CB 3.26Å; E645-T648 PolarHBondContact O-N 2.87Å; E645-T648 VanDerWaalsContact O-N 3.09Å; E645-T648 PolarHBondContact O-OG1 3.33Å; D646-T648 PolarHBondContact O-N 2.67Å; D646-T648 VanDerWaalsContact O-N 3.17Å; T648-V650 VanDerWaalsContact C-N 3.28Å; T648-I653 WeakPolarHBondContact CA-O 3.34Å; T648-L658 HydrophobicContact CG2-CB 4.41Å; T648-L658 HydrophobicContact CG2-CD2 3.75Å
649K93Very high91.5Very high118 Ų11864.1 Ų64.151%0.51336%0.36SS..G310 helixtrans-78.2-14.8173.6-56.3174.6-178.1165.30112.1Y634 D646 L647Y634-K649 HydrophobicContact CE1-CB 4.3Å; Y634-K649 HydrophobicContact CE2-CB 3.62Å; Y634-K649 VanDerWaalsContact CZ-CB 3.5Å; Y634-K649 WeakPolarHBondContact OH-CB 3.46Å; Y634-K649 WeakPolarHBondContact OH-CD 3.32Å; D646-K649 HydrophobicContact CB-CD 4.41Å; D646-K649 VanDerWaalsContact O-CB 3.24Å; D646-K649 WeakPolarHBondContact O-CB 3.19Å; D646-K649 WeakPolarHBondContact O-CG 3.38Å; D646-K649 PolarHBondContact O-N 2.8Å; D646-K649 VanDerWaalsContact OD1-CE 3.25Å; D646-K649 WeakPolarHBondContact OD1-CE 3.28Å; D646-K649 IonicContact OD1-NZ 3.13Å; D646-K649 PolarHBondContact OD1-NZ 3.03Å; L647-K649 PolarHBondContact O-N 3.21Å
650V93.6Very high91.4Very high4 Ų467.4 Ų67.42%0.02437%0.37CS..SBendtrans-80.4124.6173.7-174.30000109.4D630 I631 Y634 F641 L647 T648 G652 I653D630-V650 HydrophobicContact CB-CG1 3.61Å; I631-V650 HydrophobicContact CG1-CG1 4.17Å; I631-V650 HydrophobicContact CG1-CG2 4.29Å; Y634-V650 HydrophobicContact CD1-CG2 4.29Å; Y634-V650 HydrophobicContact CD2-CG2 4.28Å; Y634-V650 HydrophobicContact CG-CG2 3.85Å; F641-V650 HydrophobicContact CE1-CG2 3.74Å; F641-V650 HydrophobicContact CZ-CG2 3.59Å; L647-V650 WeakPolarHBondContact O-CB 3.28Å; L647-V650 PolarHBondContact O-N 3.48Å; T648-V650 VanDerWaalsContact C-N 3.28Å; V650-G652 PolarHBondContact O-N 3.5Å; V650-I653 HydrophobicContact CB-CD1 3.98Å; V650-I653 HydrophobicContact CB-CG1 4.28Å; V650-I653 HydrophobicContact CG1-CD1 4.11Å; V650-I653 HydrophobicContact CG1-CG1 4.4Å; V650-I653 PolarHBondContact O-N 2.87Å; V650-I653 VanDerWaalsContact O-N 3.11Å
651S87.1Confident91.5Very high102 Ų10264.1 Ų64.171%0.71335%0.347SS*.THydrogen-bonded Turntrans-54.4126.1179.7-170.40000111.4
652G87.1Confident91.3Very high46 Ų4669.3 Ų69.347%0.47437%0.366SS..THydrogen-bonded Turntrans90.7-2.6179.100000115.9R627 V650R627-G652 VanDerWaalsContact CZ-O 3.3Å; R627-G652 PolarHBondContact NE-O 2.84Å; R627-G652 PolarHBondContact NH2-O 2.88Å; V650-G652 PolarHBondContact O-N 3.5Å
653I91.1Very high91.2Very high5 Ų567.9 Ų67.93%0.02636%0.364CS..  trans-101.993.2169.7-55.9-175.1000108.7I623 I631 L647 T648 V650 T657I623-I653 HydrophobicContact CD1-CD1 4.1Å; I631-I653 HydrophobicContact CD1-CD1 3.71Å; I631-I653 HydrophobicContact CG1-CD1 3.65Å; L647-I653 HydrophobicContact CB-CG2 4.33Å; L647-I653 HydrophobicContact CD2-CD1 3.72Å; L647-I653 WeakPolarHBondContact O-CB 3.36Å; T648-I653 WeakPolarHBondContact CA-O 3.34Å; V650-I653 HydrophobicContact CB-CD1 3.98Å; V650-I653 HydrophobicContact CB-CG1 4.28Å; V650-I653 HydrophobicContact CG1-CD1 4.11Å; V650-I653 HydrophobicContact CG1-CG1 4.4Å; V650-I653 PolarHBondContact O-N 2.87Å; V650-I653 VanDerWaalsContact O-N 3.11Å; I653-T657 HydrophobicContact CG2-CG2 4.17Å
654G89.6Confident91.1Very high40 Ų4067.2 Ų67.241%0.41236%0.362SS..  trans-87.2174.117300000112.7K656 T657 L658G654-K656 VanDerWaalsContact C-N 3.25Å; G654-K656 PolarHBondContact O-N 2.82Å; G654-K656 VanDerWaalsContact O-N 3.16Å; G654-T657 WeakPolarHBondContact O-CB 3.21Å; G654-T657 PolarHBondContact O-N 3.34Å; G654-L658 PolarHBondContact O-N 2.79Å
655E89.9Confident91.1Very high167 Ų16765.9 Ų65.978%0.7835%0.354SS*.Hα-helixtrans-50.5-42.2-179.2-67.4-175.4163.300113.2T657 L658 E659E655-T657 VanDerWaalsContact C-N 3.34Å; E655-T657 PolarHBondContact O-N 3.39Å; E655-L658 WeakPolarHBondContact O-CB 3.38Å; E655-L658 PolarHBondContact O-N 3.46Å; E655-E659 WeakPolarHBondContact O-CB 3.44Å; E655-E659 PolarHBondContact O-N 3.41Å
656K87.2Confident91.2Very high166 Ų16664.6 Ų64.672%0.72235%0.352SS*.Hα-helixtrans-63.9-36.7178.6-168.9177.2-176.7178.20113.3G654 N660G654-K656 VanDerWaalsContact C-N 3.25Å; G654-K656 PolarHBondContact O-N 2.82Å; G654-K656 VanDerWaalsContact O-N 3.16Å; K656-N660 PolarHBondContact O-N 3.24Å
657T88.9Confident91Very high23 Ų2366.4 Ų66.414%0.14136%0.361CS..Hα-helixtrans-70.4-43175-54.30000109.6I653 G654 E655 E659 N660 L661I653-T657 HydrophobicContact CG2-CG2 4.17Å; G654-T657 WeakPolarHBondContact O-CB 3.21Å; G654-T657 PolarHBondContact O-N 3.34Å; E655-T657 VanDerWaalsContact C-N 3.34Å; E655-T657 PolarHBondContact O-N 3.39Å; T657-E659 VanDerWaalsContact C-N 3.32Å; T657-E659 PolarHBondContact O-N 2.8Å; T657-N660 PolarHBondContact O-N 3.26Å; T657-L661 HydrophobicContact CG2-CD1 3.96Å; T657-L661 VanDerWaalsContact O-CG 3.26Å; T657-L661 WeakPolarHBondContact O-CG 3.17Å; T657-L661 PolarHBondContact O-N 2.77Å
658L92.6Very high90.8Very high8 Ų869.7 Ų69.74%0.04238%0.379CS..Hα-helixtrans-59.9-43.2178.1-177.162.6000111.9V644 L647 T648 G654 E655 N660 L661 R662 I665V644-L658 HydrophobicContact CG1-CD1 3.57Å; V644-L658 HydrophobicContact CG1-CG 4.36Å; V644-L658 WeakPolarHBondContact O-CD1 3.28Å; L647-L658 HydrophobicContact CB-CD1 4Å; L647-L658 HydrophobicContact CD1-CD1 4.09Å; T648-L658 HydrophobicContact CG2-CB 4.41Å; T648-L658 HydrophobicContact CG2-CD2 3.75Å; G654-L658 PolarHBondContact O-N 2.79Å; E655-L658 WeakPolarHBondContact O-CB 3.38Å; E655-L658 PolarHBondContact O-N 3.46Å; L658-N660 VanDerWaalsContact C-N 3.3Å; L658-N660 PolarHBondContact O-N 3.46Å; L658-L661 PolarHBondContact O-N 2.78Å; L658-R662 PolarHBondContact O-N 3.35Å; L658-I665 HydrophobicContact CD1-CD1 4.4Å
659E90.4Very high90.7Very high126 Ų12669.8 Ų69.859%0.58938%0.377SS*.Hα-helixtrans-58.8-40.7178.9-167.4166.7-151.100112E655 T657 L661E655-E659 WeakPolarHBondContact O-CB 3.44Å; E655-E659 PolarHBondContact O-N 3.41Å; T657-E659 VanDerWaalsContact C-N 3.32Å; T657-E659 PolarHBondContact O-N 2.8Å; E659-L661 VanDerWaalsContact C-N 3.25Å; E659-L661 PolarHBondContact O-N 2.83Å
660N88.5Confident90.5Very high105 Ų10567.2 Ų67.256%0.56137%0.37SS*.Hα-helixtrans-69.8-19.2175.2-70-15.4000114.1K656 T657 L658K656-N660 PolarHBondContact O-N 3.24Å; T657-N660 PolarHBondContact O-N 3.26Å; L658-N660 VanDerWaalsContact C-N 3.3Å; L658-N660 PolarHBondContact O-N 3.46Å
661L92.7Very high90.4Very high1 Ų170.9 Ų70.91%0.00539%0.39CS..Hα-helixtrans-96-23.9-176.2-68.4175.4000113.3L620 S621 I623 T657 L658 E659 D663 S664 I665L620-L661 HydrophobicContact CB-CD2 3.65Å; L620-L661 HydrophobicContact CD1-CD2 4.4Å; L620-L661 HydrophobicContact CD2-CD2 4.33Å; L620-L661 HydrophobicContact CG-CD2 4.36Å; S621-L661 WeakPolarHBondContact O-CD2 3.29Å; I623-L661 HydrophobicContact CD1-CD1 3.78Å; I623-L661 HydrophobicContact CG1-CD1 3.98Å; I623-L661 HydrophobicContact CG1-CD2 4.08Å; T657-L661 HydrophobicContact CG2-CD1 3.96Å; T657-L661 VanDerWaalsContact O-CG 3.26Å; T657-L661 WeakPolarHBondContact O-CG 3.17Å; T657-L661 PolarHBondContact O-N 2.77Å; L658-L661 PolarHBondContact O-N 2.78Å; E659-L661 VanDerWaalsContact C-N 3.25Å; E659-L661 PolarHBondContact O-N 2.83Å; L661-D663 PolarHBondContact O-N 3.38Å; L661-S664 PolarHBondContact O-N 3.25Å; L661-I665 HydrophobicContact CB-CD1 3.97Å; L661-I665 HydrophobicContact CB-CG2 4.21Å; L661-I665 VanDerWaalsContact O-CG1 3.31Å; L661-I665 WeakPolarHBondContact O-CG1 3.21Å; L661-I665 WeakPolarHBondContact O-CG2 3.24Å; L661-I665 PolarHBondContact O-N 3.45Å
662R90.9Very high90.6Very high112 Ų11268.9 Ų68.942%0.42337%0.37SS..THydrogen-bonded Turntrans-50.1-36.6-171.6-87.7-179170.3156-2.6114.5V644 E645 L658 S664V644-R662 HydrophobicContact CG1-CG 4.05Å; E645-R662 IonicContact OE1-CZ 3.99Å; E645-R662 IonicContact OE1-NE 3.43Å; E645-R662 IonicContact OE1-NH2 2.63Å; E645-R662 PolarHBondContact OE1-NH2 2.81Å; L658-R662 PolarHBondContact O-N 3.35Å; R662-S664 VanDerWaalsContact C-N 3.35Å
663D90Very high90.8Very high133 Ų13370.5 Ų70.571%0.71136%0.363SS*.THydrogen-bonded Turntrans-81.5-16.2-178.3-65.4-26.8000113.3K606 L661K606-D663 VanDerWaalsContact CE-O 3.31Å; K606-D663 WeakPolarHBondContact CE-O 3.17Å; L661-D663 PolarHBondContact O-N 3.38Å
664S91.5Very high90.8Very high49 Ų4975.1 Ų75.134%0.34339%0.387SS..THydrogen-bonded Turntrans-106.1-5.7-174-48.90000113.9K606 I607 L661 R662K606-S664 WeakPolarHBondContact CA-O 3.5Å; I607-S664 PolarHBondContact N-O 2.79Å; L661-S664 PolarHBondContact O-N 3.25Å; R662-S664 VanDerWaalsContact C-N 3.35Å
665I94Very high90.9Very high4 Ų477.8 Ų77.82%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-124.4154.5-171.169-179.2000113I607 I609 L620 V644 L647 L658 L661I607-I665 CarbonylContact O-C 3.59Å; I607-I665 VanDerWaalsContact O-CA 3.31Å; I607-I665 WeakPolarHBondContact O-CA 3.22Å; I609-I665 HydrophobicContact CD1-CB 3.98Å; I609-I665 HydrophobicContact CD1-CG2 3.71Å; I609-I665 HydrophobicContact CG1-CB 3.9Å; I609-I665 HydrophobicContact CG1-CD1 4.41Å; I609-I665 HydrophobicContact CG1-CG2 4.23Å; L620-I665 HydrophobicContact CD1-CG2 3.51Å; L620-I665 HydrophobicContact CD2-CG2 3.46Å; L620-I665 VanDerWaalsContact CD2-CG2 3.46Å; L620-I665 HydrophobicContact CG-CG2 4.13Å; V644-I665 HydrophobicContact CG1-CD1 3.56Å; V644-I665 HydrophobicContact CG1-CG1 4.25Å; V644-I665 HydrophobicContact CG2-CD1 4.38Å; V644-I665 HydrophobicContact CG2-CG1 4.41Å; L647-I665 HydrophobicContact CD1-CD1 3.46Å; L647-I665 VanDerWaalsContact CD1-CD1 3.46Å; L658-I665 HydrophobicContact CD1-CD1 4.4Å; L661-I665 HydrophobicContact CB-CD1 3.97Å; L661-I665 HydrophobicContact CB-CG2 4.21Å; L661-I665 VanDerWaalsContact O-CG1 3.31Å; L661-I665 WeakPolarHBondContact O-CG1 3.21Å; L661-I665 WeakPolarHBondContact O-CG2 3.24Å; L661-I665 PolarHBondContact O-N 3.45Å
666T94.9Very high90.9Very high60 Ų6070.4 Ų70.437%0.36835%0.352SS..EExtended strand (participates in β ladder)trans-135.6164.4167.9-171.20000109.8K606 I607 N608 I609K606-T666 HydrophobicContact CB-CG2 4.28Å; I607-T666 PolarHBondContact O-N 2.86Å; N608-T666 CarbonylContact C-O 3.57Å; N608-T666 WeakPolarHBondContact CA-O 3.31Å; N608-T666 HydrophobicContact CB-CG2 3.62Å; I609-T666 PolarHBondContact N-O 3.44Å
667I89.8Confident91.3Very high58 Ų5861.7 Ų61.730%0.29732%0.318SS..  trans-103.40178.2-63.1-65000110.6N608 I609 N610 F641 V644N608-I667 PolarHBondContact ND2-O 3.45Å; N608-I667 VanDerWaalsContact ND2-O 3.16Å; N608-I667 PolarHBondContact ND2-OXT 3.19Å; N608-I667 PolarHBondContact OD1-OXT 3.47Å; I609-I667 HydrophobicContact CB-CD1 4.32Å; N610-I667 VanDerWaalsContact ND2-CG2 3.33Å; N610-I667 WeakPolarHBondContact ND2-CG2 3.24Å; N610-I667 PolarHBondContact ND2-OXT 3.22Å; F641-I667 HydrophobicContact CB-CD1 3.88Å; F641-I667 WeakPolarHBondContact O-CG2 3.08Å; V644-I667 HydrophobicContact CG2-CD1 4.27Å; V644-I667 HydrophobicContact CG2-CG1 3.75Å

Retrieved 667 of 667 residues in 989.8 ms (Link to these results)

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