A0A093HRE0_STRCA Loading...

Leucine-rich repeat-containing protein 8D

AlphaFold DB , UniProt , Accession A0A093HRE0, Species STRCA (Struthio camelus australis), Gene n/a, Length 856 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
1M56.2Low66.6Low171 Ų17176.6 Ų76.684%0.84243%0.428SS*.  01130-175.7175.4-175.600105.5T44M1-T44 HydrophobicContact CE-CG2 3.6Å; M1-T44 WeakPolarHBondContact CE-OG1 3.13Å
2F65Low66.2Low145 Ų14579.9 Ų79.964%0.63644%0.444SS*.  trans-69.7138.1-171.2-56.4-72.9000111E6 V7F2-E6 WeakPolarHBondContact CA-OE2 3.37Å; F2-V7 HydrophobicContact CB-CG2 4.02Å
3T68.1Low66.1Low69 Ų6976.5 Ų76.542%0.42342%0.424SS..  trans-77.9155.5170.566.60000111.1A5 E6 V7T3-A5 PolarHBondContact O-N 3.42Å; T3-E6 VanDerWaalsContact CB-OE1 3.26Å; T3-E6 WeakPolarHBondContact CB-OE1 3.47Å; T3-E6 WeakPolarHBondContact CG2-OE1 3.47Å; T3-E6 VanDerWaalsContact N-CD 3.35Å; T3-E6 PolarHBondContact N-OE1 2.74Å; T3-E6 PolarHBondContact N-OE2 3.23Å; T3-E6 VanDerWaalsContact N-OE2 3.17Å; T3-E6 PolarHBondContact O-N 3.17Å; T3-E6 WeakPolarHBondContact OG1-CG 3.46Å; T3-E6 PolarHBondContact OG1-N 3.4Å; T3-E6 PolarHBondContact OG1-OE1 2.96Å; T3-V7 PolarHBondContact O-N 3.27Å
4L70.4Confident66Low65 Ų6578.6 Ų78.634%0.3443%0.429SS..Hα-helixtrans-58.9-33.7173.5-177.465.5000111.4A8 L36 M37 I40L4-A8 WeakPolarHBondContact O-CB 3.23Å; L4-A8 PolarHBondContact O-N 3.19Å; L4-L36 HydrophobicContact CD1-CD2 3.93Å; L4-L36 HydrophobicContact CD1-CG 3.94Å; L4-M37 HydrophobicContact CD1-CG 3.78Å; L4-M37 HydrophobicContact CD2-CE 4.49Å; L4-M37 HydrophobicContact CD2-CG 3.67Å; L4-M37 HydrophobicContact CD2-SD 4.15Å; L4-M37 HydrophobicContact CG-CG 4.41Å; L4-I40 HydrophobicContact CD1-CD1 4Å
5A67.7Low65.9Low74 Ų7479.5 Ų79.561%0.61244%0.441SS*.Hα-helixtrans-66.2-44.9179.100000112.8T3 V7 A8 S9T3-A5 PolarHBondContact O-N 3.42Å; A5-V7 VanDerWaalsContact C-N 3.34Å; A5-V7 PolarHBondContact O-N 3.16Å; A5-A8 PolarHBondContact O-N 3.16Å; A5-S9 PolarHBondContact O-N 3.32Å; A5-S9 VanDerWaalsContact O-N 3.1Å
6E69.8Low66Low95 Ų9579 Ų7944%0.44444%0.44SS..Hα-helixtrans-54.3-49.6175.1-75.4147.5-127.100111.5F2 T3 S9F2-E6 WeakPolarHBondContact CA-OE2 3.37Å; T3-E6 VanDerWaalsContact CB-OE1 3.26Å; T3-E6 WeakPolarHBondContact CB-OE1 3.47Å; T3-E6 WeakPolarHBondContact CG2-OE1 3.47Å; T3-E6 VanDerWaalsContact N-CD 3.35Å; T3-E6 PolarHBondContact N-OE1 2.74Å; T3-E6 PolarHBondContact N-OE2 3.23Å; T3-E6 VanDerWaalsContact N-OE2 3.17Å; T3-E6 PolarHBondContact O-N 3.17Å; T3-E6 WeakPolarHBondContact OG1-CG 3.46Å; T3-E6 PolarHBondContact OG1-N 3.4Å; T3-E6 PolarHBondContact OG1-OE1 2.96Å; E6-S9 WeakPolarHBondContact O-CB 3.48Å; E6-S9 PolarHBondContact O-N 2.68Å; E6-S9 PolarHBondContact O-OG 3.16Å
7V67.6Low66.8Low14 Ų1475.2 Ų75.29%0.08542%0.418CS..Hα-helixtrans-78.8-31.3-175.4-169.60000111.9F2 T3 A5 S9 L10 L36 I172F2-V7 HydrophobicContact CB-CG2 4.02Å; T3-V7 PolarHBondContact O-N 3.27Å; A5-V7 VanDerWaalsContact C-N 3.34Å; A5-V7 PolarHBondContact O-N 3.16Å; V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 2.83Å; V7-L10 HydrophobicContact CG1-CD1 4.27Å; V7-L10 WeakPolarHBondContact O-CB 3.38Å; V7-L10 PolarHBondContact O-N 2.91Å; V7-L36 HydrophobicContact CB-CD1 4.33Å; V7-L36 HydrophobicContact CB-CD2 4.02Å; V7-L36 HydrophobicContact CG1-CD1 3.74Å; V7-L36 HydrophobicContact CG1-CD2 3.8Å; V7-L36 HydrophobicContact CG1-CG 4.42Å; V7-I172 HydrophobicContact CG1-CD1 4.15Å; V7-I172 HydrophobicContact CG1-CG1 3.97Å
8A66.8Low67.5Low34 Ų3480.8 Ų80.828%0.28143%0.432SS..Hα-helixtrans-64.1-29.1173.100000112.8L4 A5 L10 N11L4-A8 WeakPolarHBondContact O-CB 3.23Å; L4-A8 PolarHBondContact O-N 3.19Å; A5-A8 PolarHBondContact O-N 3.16Å; A8-L10 PolarHBondContact O-N 3.37Å; A8-L10 VanDerWaalsContact O-N 3.13Å; A8-N11 WeakPolarHBondContact O-CA 3.1Å; A8-N11 WeakPolarHBondContact O-CB 3.28Å; A8-N11 PolarHBondContact O-N 3.02Å
9S67.8Low68.5Low70 Ų7077.8 Ų77.849%0.4942%0.415SS..G310 helixtrans-58.6-24.5176.777.20000113.9A5 E6 V7 N11 D12A5-S9 PolarHBondContact O-N 3.32Å; A5-S9 VanDerWaalsContact O-N 3.1Å; E6-S9 WeakPolarHBondContact O-CB 3.48Å; E6-S9 PolarHBondContact O-N 2.68Å; E6-S9 PolarHBondContact O-OG 3.16Å; V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 2.83Å; S9-N11 PolarHBondContact O-N 3.11Å; S9-D12 VanDerWaalsContact O-CB 3.32Å; S9-D12 WeakPolarHBondContact O-CB 3Å; S9-D12 PolarHBondContact O-N 2.87Å
10L65.2Low69.4Low79 Ų7974 Ų7441%0.41440%0.395SS..G310 helixtrans-63.5-29.1174-61.6175.5000112.3V7 A8 D12 I172 I175 K183V7-L10 HydrophobicContact CG1-CD1 4.27Å; V7-L10 WeakPolarHBondContact O-CB 3.38Å; V7-L10 PolarHBondContact O-N 2.91Å; A8-L10 PolarHBondContact O-N 3.37Å; A8-L10 VanDerWaalsContact O-N 3.13Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-I172 HydrophobicContact CD1-CG2 4.34Å; L10-I175 HydrophobicContact CB-CG2 4.44Å; L10-K183 PolarHBondContact O-NZ 3.19Å; L10-K183 VanDerWaalsContact O-NZ 3.1Å
11N67.9Low70.3Confident27 Ų2771.4 Ų71.414%0.14438%0.38CS..G310 helixtrans-85.7-3.8176-157.935.4000113.3A8 S9 I175 N179A8-N11 WeakPolarHBondContact O-CA 3.1Å; A8-N11 WeakPolarHBondContact O-CB 3.28Å; A8-N11 PolarHBondContact O-N 3.02Å; S9-N11 PolarHBondContact O-N 3.11Å; N11-I175 HydrophobicContact CB-CG2 3.82Å; N11-N179 PolarHBondContact OD1-ND2 2.79Å
12D62.6Low71.9Confident116 Ų11663.3 Ų63.362%0.6234%0.34SS*.  trans-75.7139.5179.8-157.50.8000111.5S9 L10 K183S9-D12 VanDerWaalsContact O-CB 3.32Å; S9-D12 WeakPolarHBondContact O-CB 3Å; S9-D12 PolarHBondContact O-N 2.87Å; L10-D12 VanDerWaalsContact C-N 3.34Å; D12-K183 PolarHBondContact O-NZ 3.22Å
13I64.3Low73.2Confident36 Ų3663 Ų6319%0.18534%0.335CS..  trans-151.3139-167.7-61.2173.3000107.8Y17 N179 F182I13-Y17 HydrophobicContact CG2-CD2 3.78Å; I13-Y17 HydrophobicContact CG2-CG 4.39Å; I13-N179 HydrophobicContact CD1-CB 4.23Å; I13-N179 WeakPolarHBondContact CD1-OD1 3.08Å; I13-F182 HydrophobicContact CD1-CD2 4.45Å
14Q64.7Low74.3Confident105 Ų10559.7 Ų59.749%0.49132%0.315SS..  trans-48133.6173-63.5-178.4-7.400112.3T16 Y17Q14-T16 WeakPolarHBondContact CB-OG1 3.36Å; Q14-T16 PolarHBondContact O-N 3.19Å; Q14-T16 VanDerWaalsContact O-N 3.14Å; Q14-Y17 HydrophobicContact CB-CD2 4.21Å; Q14-Y17 HydrophobicContact CB-CE2 4.28Å; Q14-Y17 PolarHBondContact O-N 2.89Å; Q14-Y17 VanDerWaalsContact O-N 3.12Å; Q14-Y17 PolarHBondContact OE1-OH 3.33Å
15P64.3Low75.3Confident93 Ų9356.9 Ų56.960%0.60430%0.3SS*.G310 helixtrans-65.2-21.5-174.526.2-35.1000113.4Y17 R18P15-Y17 VanDerWaalsContact C-N 3.26Å; P15-Y17 PolarHBondContact O-N 3.44Å; P15-R18 WeakPolarHBondContact O-CB 3.47Å; P15-R18 VanDerWaalsContact O-CG 3.29Å; P15-R18 WeakPolarHBondContact O-CG 3.45Å; P15-R18 PolarHBondContact O-N 3.07Å
16T67.5Low76.3Confident71 Ų7156.1 Ų56.144%0.43629%0.288SS..G310 helixtrans-57.5-33.1173430000113.3Q14 R18Q14-T16 WeakPolarHBondContact CB-OG1 3.36Å; Q14-T16 PolarHBondContact O-N 3.19Å; Q14-T16 VanDerWaalsContact O-N 3.14Å; T16-R18 VanDerWaalsContact C-N 3.26Å; T16-R18 PolarHBondContact O-N 3.22Å
17Y79.9Confident77.4Confident15 Ų1556.5 Ų56.56%0.05929%0.288CS..G310 helixtrans-80.50-177.7-59.3-26000114.2I13 Q14 P15 I19 L20 F182 I191 V195I13-Y17 HydrophobicContact CG2-CD2 3.78Å; I13-Y17 HydrophobicContact CG2-CG 4.39Å; Q14-Y17 HydrophobicContact CB-CD2 4.21Å; Q14-Y17 HydrophobicContact CB-CE2 4.28Å; Q14-Y17 PolarHBondContact O-N 2.89Å; Q14-Y17 VanDerWaalsContact O-N 3.12Å; Q14-Y17 PolarHBondContact OE1-OH 3.33Å; P15-Y17 VanDerWaalsContact C-N 3.26Å; P15-Y17 PolarHBondContact O-N 3.44Å; Y17-I19 PolarHBondContact O-N 3.28Å; Y17-L20 PolarHBondContact O-N 3.46Å; Y17-L20 VanDerWaalsContact O-N 3.08Å; Y17-F182 AromaticContact CD2-CD1 3.94Å; Y17-F182 HydrophobicContact CD2-CD1 3.94Å; Y17-F182 HydrophobicContact CD2-CE1 4.48Å; Y17-F182 HydrophobicContact CG-CD1 4.11Å; Y17-F182 HydrophobicContact CG-CE1 4.21Å; Y17-I191 HydrophobicContact CD1-CG2 4.25Å; Y17-I191 HydrophobicContact CE1-CG2 4.18Å; Y17-V195 HydrophobicContact CD1-CG2 4.31Å
18R79.2Confident78.5Confident176 Ų17656 Ų5666%0.66429%0.285SS*.G310 helixtrans-61.4-29.9176.4-71.1177.7178.5-168.90.1113.4P15 T16 L20 K21P15-R18 WeakPolarHBondContact O-CB 3.47Å; P15-R18 VanDerWaalsContact O-CG 3.29Å; P15-R18 WeakPolarHBondContact O-CG 3.45Å; P15-R18 PolarHBondContact O-N 3.07Å; T16-R18 VanDerWaalsContact C-N 3.26Å; T16-R18 PolarHBondContact O-N 3.22Å; R18-L20 PolarHBondContact O-N 2.86Å; R18-L20 VanDerWaalsContact O-N 3.16Å; R18-K21 PolarHBondContact O-N 2.97Å
19I85.9Confident79.5Confident24 Ų2455.3 Ų55.312%0.12328%0.277CS..G310 helixtrans-61.9-21.3176.7-49173.3000111.5Y17 L198 V421 Y424 Y428Y17-I19 PolarHBondContact O-N 3.28Å; I19-L198 HydrophobicContact CG2-CD2 4.19Å; I19-V421 HydrophobicContact CG2-CG1 4.28Å; I19-V421 HydrophobicContact CG2-CG2 4.26Å; I19-Y424 HydrophobicContact CB-CD1 4.5Å; I19-Y424 HydrophobicContact CG1-CE1 4.42Å; I19-Y424 HydrophobicContact CG2-CD1 3.97Å; I19-Y424 HydrophobicContact CG2-CE1 4.36Å; I19-Y424 HydrophobicContact CG2-CG 4.43Å; I19-Y424 WeakPolarHBondContact O-CB 3.41Å; I19-Y428 HydrophobicContact CD1-CE1 4.3Å
20L87.8Confident80.5Confident0 Ų059.7 Ų59.70%028%0.284CS..G310 helixtrans-103.513.6177.4-73.6170.1000113.7Y17 R18 P22 W181 F182 I191 F194 V195 L417 M420 V421Y17-L20 PolarHBondContact O-N 3.46Å; Y17-L20 VanDerWaalsContact O-N 3.08Å; R18-L20 PolarHBondContact O-N 2.86Å; R18-L20 VanDerWaalsContact O-N 3.16Å; L20-P22 WeakPolarHBondContact O-CD 3.48Å; L20-W181 HydrophobicContact CB-CH2 4.37Å; L20-F182 HydrophobicContact CB-CE1 4.15Å; L20-F182 HydrophobicContact CB-CZ 4.17Å; L20-I191 HydrophobicContact CD1-CG2 3.63Å; L20-F194 HydrophobicContact CD1-CD1 4.39Å; L20-F194 HydrophobicContact CD2-CD1 4.47Å; L20-F194 HydrophobicContact CD2-CE1 4.13Å; L20-V195 HydrophobicContact CD1-CG2 3.66Å; L20-V195 HydrophobicContact CG-CG2 4.36Å; L20-L417 HydrophobicContact CD1-CD2 4.19Å; L20-L417 HydrophobicContact CD2-CD2 3.87Å; L20-M420 HydrophobicContact CD2-CB 4.02Å; L20-V421 HydrophobicContact CD2-CG2 3.84Å
21K88.4Confident81.8Confident21 Ų2156.6 Ų56.69%0.09127%0.267CS..  trans-114.398.5172.3-75.9-159.7166.4-168.70110.7R18 D25 V26 D29 N179 F182R18-K21 PolarHBondContact O-N 2.97Å; K21-D25 HydrophobicContact CG-CB 4.46Å; K21-V26 HydrophobicContact CB-CG2 3.91Å; K21-D29 IonicContact NZ-OD1 2.76Å; K21-D29 PolarHBondContact NZ-OD1 3.28Å; K21-D29 IonicContact NZ-OD2 3.62Å; K21-D29 PolarHBondContact NZ-OD2 3.04Å; K21-N179 PolarHBondContact NZ-OD1 2.95Å; K21-F182 HydrophobicContact CD-CE2 4.49Å; K21-F182 HydrophobicContact CG-CE2 4.15Å; K21-F182 HydrophobicContact CG-CZ 4.1Å
22P90.1Very high82.9Confident1 Ų155.4 Ų55.41%0.00626%0.261CS..  trans-60.2165.6168.7-23.134.8000112.1L20 W24 D25 V26 M420 Q423L20-P22 WeakPolarHBondContact O-CD 3.48Å; P22-W24 HydrophobicContact CB-CD2 3.73Å; P22-W24 HydrophobicContact CB-CE3 3.94Å; P22-W24 HydrophobicContact CB-CG 4.41Å; P22-W24 HydrophobicContact CB-CH2 3.84Å; P22-W24 HydrophobicContact CB-CZ2 3.61Å; P22-W24 HydrophobicContact CB-CZ3 3.99Å; P22-W24 HydrophobicContact CG-CH2 4.14Å; P22-W24 HydrophobicContact CG-CZ2 3.62Å; P22-W24 PolarHBondContact O-N 3.09Å; P22-D25 PolarHBondContact O-N 3.08Å; P22-V26 PolarHBondContact O-N 2.64Å; P22-M420 HydrophobicContact CG-CE 3.81Å; P22-M420 HydrophobicContact CG-SD 4.07Å; P22-Q423 HydrophobicContact CB-CB 4.1Å; P22-Q423 HydrophobicContact CG-CB 4.08Å
23W91.3Very high84.1Confident137 Ų13751.7 Ų51.752%0.51924%0.243SC..Hα-helixtrans-53.4-31.7-174.867.2-96.9000114.1F27 Y380W23-F27 WeakPolarHBondContact O-CB 3.25Å; W23-F27 PolarHBondContact O-N 3.2Å; W23-Y380 HydrophobicContact CH2-CD1 4.19Å; W23-Y380 AromaticContact CH2-CE1 3.96Å; W23-Y380 HydrophobicContact CH2-CE1 3.96Å; W23-Y380 HydrophobicContact CZ2-CD1 4.19Å; W23-Y380 AromaticContact CZ2-CE1 3.5Å; W23-Y380 HydrophobicContact CZ2-CE1 3.5Å; W23-Y380 VanDerWaalsContact CZ2-CE1 3.5Å; W23-Y380 AromaticContact CZ2-CZ 3.85Å
24W92Very high85.4Confident0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-68.3-45.8178.354.578.9000112.8P22 V26 F27 M28 Y306 I377 Y380 T381 W384 Q423P22-W24 HydrophobicContact CB-CD2 3.73Å; P22-W24 HydrophobicContact CB-CE3 3.94Å; P22-W24 HydrophobicContact CB-CG 4.41Å; P22-W24 HydrophobicContact CB-CH2 3.84Å; P22-W24 HydrophobicContact CB-CZ2 3.61Å; P22-W24 HydrophobicContact CB-CZ3 3.99Å; P22-W24 HydrophobicContact CG-CH2 4.14Å; P22-W24 HydrophobicContact CG-CZ2 3.62Å; P22-W24 PolarHBondContact O-N 3.09Å; W24-V26 VanDerWaalsContact C-N 3.33Å; W24-V26 PolarHBondContact O-N 3.32Å; W24-F27 PolarHBondContact O-N 3.22Å; W24-M28 WeakPolarHBondContact O-CB 3.39Å; W24-M28 WeakPolarHBondContact O-CG 3.36Å; W24-M28 PolarHBondContact O-N 3.13Å; W24-Y306 PolarHBondContact NE1-OH 3.21Å; W24-I377 HydrophobicContact CB-CG2 3.79Å; W24-Y380 AromaticContact CE3-CE1 3.93Å; W24-Y380 HydrophobicContact CE3-CE1 3.93Å; W24-Y380 HydrophobicContact CZ3-CE1 4.24Å; W24-T381 HydrophobicContact CB-CG2 3.76Å; W24-T381 HydrophobicContact CD2-CG2 3.85Å; W24-T381 HydrophobicContact CG-CG2 3.36Å; W24-W384 AromaticContact CH2-CD2 3.84Å; W24-W384 HydrophobicContact CH2-CD2 3.84Å; W24-W384 AromaticContact CH2-CE2 3.61Å; W24-W384 HydrophobicContact CH2-CE3 4.13Å; W24-W384 HydrophobicContact CH2-CG 4.41Å; W24-W384 HydrophobicContact CH2-CH2 4.07Å; W24-W384 AromaticContact CH2-CZ2 3.77Å; W24-W384 HydrophobicContact CH2-CZ2 3.77Å; W24-W384 HydrophobicContact CH2-CZ3 4.23Å; W24-W384 AromaticContact CH2-NE1 3.96Å; W24-W384 HydrophobicContact CZ2-CD2 4.14Å; W24-W384 AromaticContact CZ2-CE3 3.94Å; W24-W384 HydrophobicContact CZ2-CE3 3.94Å; W24-W384 HydrophobicContact CZ2-CH2 4.01Å; W24-W384 HydrophobicContact CZ2-CZ2 4.19Å; W24-W384 AromaticContact CZ2-CZ3 3.86Å; W24-W384 HydrophobicContact CZ2-CZ3 3.86Å; W24-Q423 HydrophobicContact CH2-CB 4.4Å; W24-Q423 HydrophobicContact CH2-CG 3.97Å
25D89.9Confident86.7Confident7 Ų748.1 Ų48.14%0.03723%0.23CC..Hα-helixtrans-67.5-38.5179.8-84-40.3000110.2K21 P22 M28 D29 Y306 K313K21-D25 HydrophobicContact CG-CB 4.46Å; P22-D25 PolarHBondContact O-N 3.08Å; D25-M28 PolarHBondContact O-N 3.04Å; D25-D29 PolarHBondContact O-N 3.13Å; D25-Y306 PolarHBondContact OD2-OH 3.05Å; D25-K313 IonicContact OD1-NZ 2.84Å
26V89.9Confident87.9Confident58 Ų5843.7 Ų43.735%0.35220%0.201SC..Hα-helixtrans-59.7-47.1172.6177.50000111.6K21 P22 W24 M28 D29 Y30K21-V26 HydrophobicContact CB-CG2 3.91Å; P22-V26 PolarHBondContact O-N 2.64Å; W24-V26 VanDerWaalsContact C-N 3.33Å; W24-V26 PolarHBondContact O-N 3.32Å; V26-M28 VanDerWaalsContact C-N 3.34Å; V26-M28 PolarHBondContact O-N 3.03Å; V26-D29 PolarHBondContact O-N 3.38Å; V26-Y30 HydrophobicContact CG1-CD2 4.06Å; V26-Y30 HydrophobicContact CG1-CE2 3.69Å; V26-Y30 WeakPolarHBondContact O-CD2 3.45Å; V26-Y30 PolarHBondContact O-N 3.12Å
27F91.8Very high89Confident102 Ų10245 Ų4545%0.44720%0.203SC..Hα-helixtrans-67.9-35.2179.9-172.5-138.3000112.2W23 W24 Y30 L31 V373 I377W23-F27 WeakPolarHBondContact O-CB 3.25Å; W23-F27 PolarHBondContact O-N 3.2Å; W24-F27 PolarHBondContact O-N 3.22Å; F27-Y30 PolarHBondContact O-N 2.95Å; F27-L31 VanDerWaalsContact O-CB 3.31Å; F27-L31 WeakPolarHBondContact O-CB 3.44Å; F27-L31 PolarHBondContact O-N 3.12Å; F27-V373 HydrophobicContact CE1-CG1 4.26Å; F27-I377 HydrophobicContact CD1-CD1 3.41Å; F27-I377 VanDerWaalsContact CD1-CD1 3.41Å; F27-I377 HydrophobicContact CD1-CG1 4.25Å; F27-I377 HydrophobicContact CE1-CD1 3.63Å; F27-I377 HydrophobicContact CE1-CG1 4.49Å; F27-I377 HydrophobicContact CG-CD1 4.43Å
28M90.4Very high89.5Confident4 Ų445.4 Ų45.42%0.0221%0.207CC..Hα-helixtrans-67.2-35.5176-70.6-75.4-102.400112.9W24 D25 V26 A32 Y374 I377 C378W24-M28 WeakPolarHBondContact O-CB 3.39Å; W24-M28 WeakPolarHBondContact O-CG 3.36Å; W24-M28 PolarHBondContact O-N 3.13Å; D25-M28 PolarHBondContact O-N 3.04Å; V26-M28 VanDerWaalsContact C-N 3.34Å; V26-M28 PolarHBondContact O-N 3.03Å; M28-A32 WeakPolarHBondContact O-CB 3.42Å; M28-A32 PolarHBondContact O-N 3.36Å; M28-Y374 HydrophobicContact CB-CE2 4.11Å; M28-Y374 HydrophobicContact CE-CD1 3.57Å; M28-Y374 HydrophobicContact CE-CD2 3.83Å; M28-Y374 HydrophobicContact CE-CE1 3.4Å; M28-Y374 VanDerWaalsContact CE-CE1 3.4Å; M28-Y374 HydrophobicContact CE-CE2 3.68Å; M28-Y374 HydrophobicContact CE-CG 3.76Å; M28-Y374 VanDerWaalsContact CE-CZ 3.44Å; M28-Y374 VanDerWaalsContact CE-O 3.24Å; M28-Y374 WeakPolarHBondContact CE-O 3.47Å; M28-Y374 HydrophobicContact CG-CE2 4.45Å; M28-Y374 HydrophobicContact SD-CD1 4.12Å; M28-Y374 HydrophobicContact SD-CD2 3.35Å; M28-Y374 WeakPolarHBondContact SD-CD2 3.15Å; M28-Y374 HydrophobicContact SD-CE1 4.28Å; M28-Y374 HydrophobicContact SD-CE2 3.55Å; M28-Y374 VanDerWaalsContact SD-CE2 3.55Å; M28-Y374 HydrophobicContact SD-CG 3.65Å; M28-I377 HydrophobicContact CE-CB 4.07Å; M28-I377 HydrophobicContact CE-CG2 4.16Å; M28-I377 HydrophobicContact CG-CB 4.19Å; M28-I377 HydrophobicContact CG-CD1 4.26Å; M28-I377 HydrophobicContact CG-CG2 3.61Å; M28-I377 HydrophobicContact SD-CB 3.63Å; M28-I377 HydrophobicContact SD-CD1 3.63Å; M28-I377 HydrophobicContact SD-CG1 4.27Å; M28-I377 HydrophobicContact SD-CG2 3.76Å; M28-C378 HydrophobicContact CE-CB 4.16Å; M28-C378 WeakPolarHBondContact CE-SG 3.38Å
29D88.5Confident90.1Very high20 Ų2037.2 Ų37.211%0.10718%0.177CC..Hα-helixtrans-63.8-48.1173.2-68.6-26000111.2K21 D25 V26 L31 A32 V33K21-D29 IonicContact NZ-OD1 2.76Å; K21-D29 PolarHBondContact NZ-OD1 3.28Å; K21-D29 IonicContact NZ-OD2 3.62Å; K21-D29 PolarHBondContact NZ-OD2 3.04Å; D25-D29 PolarHBondContact O-N 3.13Å; V26-D29 PolarHBondContact O-N 3.38Å; D29-L31 PolarHBondContact O-N 3Å; D29-A32 PolarHBondContact O-N 3.26Å; D29-V33 WeakPolarHBondContact O-CG2 3.47Å; D29-V33 PolarHBondContact O-N 3Å
30Y89.8Confident90.3Very high162 Ų16237.8 Ų37.864%0.63518%0.18SC*.Hα-helixtrans-61.7-43.1175.8-75-63.8000112V26 F27 A32 V33 V34V26-Y30 HydrophobicContact CG1-CD2 4.06Å; V26-Y30 HydrophobicContact CG1-CE2 3.69Å; V26-Y30 WeakPolarHBondContact O-CD2 3.45Å; V26-Y30 PolarHBondContact O-N 3.12Å; F27-Y30 PolarHBondContact O-N 2.95Å; Y30-A32 VanDerWaalsContact C-N 3.33Å; Y30-A32 PolarHBondContact O-N 3.35Å; Y30-V33 PolarHBondContact O-N 3.43Å; Y30-V33 VanDerWaalsContact O-N 3.16Å; Y30-V34 WeakPolarHBondContact O-CG2 3.3Å; Y30-V34 PolarHBondContact O-N 2.91Å
31L91.8Very high90.4Very high13 Ų1343 Ų437%0.06820%0.202CC..Hα-helixtrans-63.6-38.7178.8-17554.5000111.9F27 D29 V34 M35 L370 V373 Y374 I377F27-L31 VanDerWaalsContact O-CB 3.31Å; F27-L31 WeakPolarHBondContact O-CB 3.44Å; F27-L31 PolarHBondContact O-N 3.12Å; D29-L31 PolarHBondContact O-N 3Å; L31-V34 PolarHBondContact O-N 2.96Å; L31-M35 HydrophobicContact CG-SD 4.45Å; L31-M35 WeakPolarHBondContact O-CG 3.31Å; L31-M35 PolarHBondContact O-N 3.48Å; L31-L370 HydrophobicContact CD1-CB 4.09Å; L31-L370 HydrophobicContact CD1-CD2 3.61Å; L31-L370 HydrophobicContact CD1-CG 4.43Å; L31-V373 HydrophobicContact CD2-CB 4.04Å; L31-V373 HydrophobicContact CD2-CG1 3.78Å; L31-Y374 HydrophobicContact CD2-CD2 4.13Å; L31-Y374 HydrophobicContact CD2-CG 4.42Å; L31-Y374 HydrophobicContact CG-CD2 4.29Å; L31-I377 HydrophobicContact CD2-CD1 4.1Å
32A89.9Confident90.4Very high2 Ų242 Ų422%0.01720%0.199CC..Hα-helixtrans-66-35.8173.300000112.6M28 D29 Y30 M35 L36 T171 I175M28-A32 WeakPolarHBondContact O-CB 3.42Å; M28-A32 PolarHBondContact O-N 3.36Å; D29-A32 PolarHBondContact O-N 3.26Å; Y30-A32 VanDerWaalsContact C-N 3.33Å; Y30-A32 PolarHBondContact O-N 3.35Å; A32-M35 PolarHBondContact O-N 3Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.85Å; A32-T171 WeakPolarHBondContact O-CG2 3.47Å; A32-I175 HydrophobicContact CB-CD1 4.26Å; A32-I175 HydrophobicContact CB-CG1 3.7Å
33V88.9Confident90.4Very high39 Ų3942.5 Ų42.524%0.23620%0.204CC..Hα-helixtrans-65.5-40.4172.1172.70000111.5D29 Y30 L36 M37D29-V33 WeakPolarHBondContact O-CG2 3.47Å; D29-V33 PolarHBondContact O-N 3Å; Y30-V33 PolarHBondContact O-N 3.43Å; Y30-V33 VanDerWaalsContact O-N 3.16Å; V33-L36 WeakPolarHBondContact O-CB 3.35Å; V33-L36 PolarHBondContact O-N 3.13Å; V33-M37 WeakPolarHBondContact O-CG 3.39Å; V33-M37 PolarHBondContact O-N 2.9Å
34V91.4Very high90.2Very high66 Ų6638.1 Ų38.140%0.419%0.192SC..Hα-helixtrans-64.7-42.9174.7175.80000111.3Y30 L31 L36 M37 V38 L370Y30-V34 WeakPolarHBondContact O-CG2 3.3Å; Y30-V34 PolarHBondContact O-N 2.91Å; L31-V34 PolarHBondContact O-N 2.96Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 2.76Å; V34-M37 WeakPolarHBondContact O-CB 3.46Å; V34-M37 PolarHBondContact O-N 2.98Å; V34-V38 WeakPolarHBondContact O-CG2 3.22Å; V34-V38 PolarHBondContact O-N 2.89Å; V34-L370 HydrophobicContact CG1-CD1 3.95Å; V34-L370 HydrophobicContact CG1-CD2 3.96Å
35M91.2Very high90Very high0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-59.6-38.7173-72.816749.400112.4L31 A32 V38 A39 T171 L174 Y367 L370 I371 Y374L31-M35 HydrophobicContact CG-SD 4.45Å; L31-M35 WeakPolarHBondContact O-CG 3.31Å; L31-M35 PolarHBondContact O-N 3.48Å; A32-M35 PolarHBondContact O-N 3Å; M35-V38 PolarHBondContact O-N 2.81Å; M35-A39 WeakPolarHBondContact O-CB 3.17Å; M35-A39 PolarHBondContact O-N 3.11Å; M35-T171 HydrophobicContact CB-CG2 3.9Å; M35-T171 HydrophobicContact CE-CG2 4.4Å; M35-L174 HydrophobicContact CE-CD1 3.8Å; M35-Y367 HydrophobicContact CB-CE2 4.2Å; M35-Y367 HydrophobicContact CE-CE2 4.06Å; M35-Y367 HydrophobicContact CG-CE2 4.37Å; M35-L370 HydrophobicContact CG-CB 3.72Å; M35-L370 HydrophobicContact CG-CD1 4.03Å; M35-L370 HydrophobicContact CG-CG 4.48Å; M35-L370 HydrophobicContact SD-CB 4.38Å; M35-I371 HydrophobicContact CE-CD1 3.39Å; M35-I371 HydrophobicContact CE-CG1 4.13Å; M35-I371 HydrophobicContact SD-CD1 4.26Å; M35-Y374 HydrophobicContact SD-CD2 4.34Å
36L90.6Very high89.8Confident0 Ų039.9 Ų39.90%020%0.2CC..Hα-helixtrans-65.8-42.3177.1177.463000111.4L4 V7 A32 V33 V34 A39 I40 L168 T171 I175L4-L36 HydrophobicContact CD1-CD2 3.93Å; L4-L36 HydrophobicContact CD1-CG 3.94Å; V7-L36 HydrophobicContact CB-CD1 4.33Å; V7-L36 HydrophobicContact CB-CD2 4.02Å; V7-L36 HydrophobicContact CG1-CD1 3.74Å; V7-L36 HydrophobicContact CG1-CD2 3.8Å; V7-L36 HydrophobicContact CG1-CG 4.42Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.85Å; V33-L36 WeakPolarHBondContact O-CB 3.35Å; V33-L36 PolarHBondContact O-N 3.13Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 2.76Å; L36-A39 PolarHBondContact O-N 2.85Å; L36-I40 HydrophobicContact CD1-CD1 3.79Å; L36-I40 HydrophobicContact CD1-CG1 4.18Å; L36-I40 HydrophobicContact CG-CD1 3.94Å; L36-I40 WeakPolarHBondContact O-CB 3.4Å; L36-I40 WeakPolarHBondContact O-CG1 3.1Å; L36-I40 PolarHBondContact O-N 2.94Å; L36-L168 HydrophobicContact CD1-CD1 3.4Å; L36-L168 VanDerWaalsContact CD1-CD1 3.4Å; L36-T171 HydrophobicContact CB-CG2 3.91Å; L36-I175 HydrophobicContact CD2-CD1 4.38Å
37M90Very high89.7Confident99 Ų9942.7 Ų42.749%0.48821%0.213SC..Hα-helixtrans-60-45.2173-69.9176.37000111.7L4 V33 V34 A39 I40 F41L4-M37 HydrophobicContact CD1-CG 3.78Å; L4-M37 HydrophobicContact CD2-CE 4.49Å; L4-M37 HydrophobicContact CD2-CG 3.67Å; L4-M37 HydrophobicContact CD2-SD 4.15Å; L4-M37 HydrophobicContact CG-CG 4.41Å; V33-M37 WeakPolarHBondContact O-CG 3.39Å; V33-M37 PolarHBondContact O-N 2.9Å; V34-M37 WeakPolarHBondContact O-CB 3.46Å; V34-M37 PolarHBondContact O-N 2.98Å; M37-A39 PolarHBondContact O-N 3.05Å; M37-I40 PolarHBondContact O-N 3.18Å; M37-F41 WeakPolarHBondContact O-CB 3.37Å; M37-F41 PolarHBondContact O-N 3.3Å
38V91.1Very high89.3Confident23 Ų2342.5 Ų42.514%0.13922%0.22CC..Hα-helixtrans-62.2-42.7176.7172.40000111.4V34 M35 A42 L363 L370V34-V38 WeakPolarHBondContact O-CG2 3.22Å; V34-V38 PolarHBondContact O-N 2.89Å; M35-V38 PolarHBondContact O-N 2.81Å; V38-A42 VanDerWaalsContact O-CB 3.27Å; V38-A42 WeakPolarHBondContact O-CB 3.31Å; V38-A42 PolarHBondContact O-N 3.27Å; V38-L363 HydrophobicContact CG1-CD2 4.42Å; V38-L370 HydrophobicContact CG2-CD1 3.95Å
39A90.9Very high88.8Confident3 Ų348.2 Ų48.23%0.02525%0.245CC..Hα-helixtrans-65.9-45.6178.600000112.8M35 L36 M37 A42 G43 A167 L168M35-A39 WeakPolarHBondContact O-CB 3.17Å; M35-A39 PolarHBondContact O-N 3.11Å; L36-A39 PolarHBondContact O-N 2.85Å; M37-A39 PolarHBondContact O-N 3.05Å; A39-A42 PolarHBondContact O-N 3.2Å; A39-G43 PolarHBondContact O-N 2.9Å; A39-A167 HydrophobicContact CB-CB 3.95Å; A39-L168 HydrophobicContact CB-CB 4.15Å
40I89.9Confident88.3Confident36 Ų3648.7 Ų48.719%0.18525%0.248CC..Hα-helixtrans-65.6-41177.1-68.6172.4000110.8L4 L36 M37 G43 T44 L168L4-I40 HydrophobicContact CD1-CD1 4Å; L36-I40 HydrophobicContact CD1-CD1 3.79Å; L36-I40 HydrophobicContact CD1-CG1 4.18Å; L36-I40 HydrophobicContact CG-CD1 3.94Å; L36-I40 WeakPolarHBondContact O-CB 3.4Å; L36-I40 WeakPolarHBondContact O-CG1 3.1Å; L36-I40 PolarHBondContact O-N 2.94Å; M37-I40 PolarHBondContact O-N 3.18Å; I40-G43 PolarHBondContact O-N 2.88Å; I40-T44 VanDerWaalsContact O-CB 3.32Å; I40-T44 WeakPolarHBondContact O-CB 3.49Å; I40-T44 PolarHBondContact O-N 2.92Å; I40-T44 PolarHBondContact O-OG1 3.3Å; I40-L168 HydrophobicContact CG1-CD1 4.28Å
41F90.3Very high87.9Confident109 Ų10947.6 Ų47.648%0.47825%0.248SC..Hα-helixtrans-63.2-46.4175.7177.8-103.3000111.9M37 G43 T44 M45 L363M37-F41 WeakPolarHBondContact O-CB 3.37Å; M37-F41 PolarHBondContact O-N 3.3Å; F41-G43 PolarHBondContact O-N 3.08Å; F41-T44 WeakPolarHBondContact O-CB 3.4Å; F41-T44 PolarHBondContact O-N 3.02Å; F41-M45 HydrophobicContact CD1-SD 4.31Å; F41-M45 HydrophobicContact CE1-CG 4.07Å; F41-M45 HydrophobicContact CE1-SD 3.45Å; F41-M45 WeakPolarHBondContact CE1-SD 3.27Å; F41-M45 HydrophobicContact CE2-CG 4.3Å; F41-M45 HydrophobicContact CE2-SD 4.44Å; F41-M45 HydrophobicContact CZ-CG 3.95Å; F41-M45 HydrophobicContact CZ-SD 3.53Å; F41-M45 VanDerWaalsContact CZ-SD 3.53Å; F41-M45 PolarHBondContact O-N 2.97Å; F41-L363 HydrophobicContact CD1-CD1 4.38Å; F41-L363 HydrophobicContact CD1-CD2 3.86Å; F41-L363 HydrophobicContact CE1-CD1 4.35Å; F41-L363 HydrophobicContact CE1-CD2 4.04Å
42A89.1Confident87.6Confident2 Ų247.5 Ų47.52%0.01725%0.248CC..Hα-helixtrans-62-42.217700000111.9V38 A39 T44 M45 Q46 P164 L363V38-A42 VanDerWaalsContact O-CB 3.27Å; V38-A42 WeakPolarHBondContact O-CB 3.31Å; V38-A42 PolarHBondContact O-N 3.27Å; A39-A42 PolarHBondContact O-N 3.2Å; A42-T44 VanDerWaalsContact C-N 3.35Å; A42-M45 PolarHBondContact O-N 3.01Å; A42-Q46 WeakPolarHBondContact O-CB 3.35Å; A42-Q46 PolarHBondContact O-N 3.06Å; A42-P164 HydrophobicContact CB-CB 3.9Å; A42-P164 HydrophobicContact CB-CG 3.88Å; A42-L363 HydrophobicContact CB-CD1 4.01Å
43G88.9Confident87.6Confident11 Ų1150.5 Ų50.511%0.11327%0.266CS..Hα-helixtrans-66.3-36.517600000112.6A39 I40 F41 Q46 L47A39-G43 PolarHBondContact O-N 2.9Å; I40-G43 PolarHBondContact O-N 2.88Å; F41-G43 PolarHBondContact O-N 3.08Å; G43-Q46 PolarHBondContact O-N 3.21Å; G43-L47 WeakPolarHBondContact O-CB 3.35Å; G43-L47 WeakPolarHBondContact O-CG 3.23Å; G43-L47 PolarHBondContact O-N 3.45Å
44T88.8Confident87.7Confident44 Ų4448.6 Ų48.627%0.2726%0.255SS..Hα-helixtrans-66-45.4174.4-60.40000111.8M1 I40 F41 A42 Q46 T48M1-T44 HydrophobicContact CE-CG2 3.6Å; M1-T44 WeakPolarHBondContact CE-OG1 3.13Å; I40-T44 VanDerWaalsContact O-CB 3.32Å; I40-T44 WeakPolarHBondContact O-CB 3.49Å; I40-T44 PolarHBondContact O-N 2.92Å; I40-T44 PolarHBondContact O-OG1 3.3Å; F41-T44 WeakPolarHBondContact O-CB 3.4Å; F41-T44 PolarHBondContact O-N 3.02Å; A42-T44 VanDerWaalsContact C-N 3.35Å; T44-Q46 VanDerWaalsContact C-N 3.31Å; T44-Q46 PolarHBondContact O-N 2.91Å; T44-T48 WeakPolarHBondContact O-CB 3.13Å; T44-T48 WeakPolarHBondContact O-CG2 3.49Å; T44-T48 PolarHBondContact O-N 3.06Å; T44-T48 PolarHBondContact O-OG1 2.94Å
45M86.8Confident87.6Confident28 Ų2850.3 Ų50.314%0.13826%0.261CS..Hα-helixtrans-59.8-43.2173.8-79.4-161.863.900111.5F41 A42 T48 K49 M356 M359 L363F41-M45 HydrophobicContact CD1-SD 4.31Å; F41-M45 HydrophobicContact CE1-CG 4.07Å; F41-M45 HydrophobicContact CE1-SD 3.45Å; F41-M45 WeakPolarHBondContact CE1-SD 3.27Å; F41-M45 HydrophobicContact CE2-CG 4.3Å; F41-M45 HydrophobicContact CE2-SD 4.44Å; F41-M45 HydrophobicContact CZ-CG 3.95Å; F41-M45 HydrophobicContact CZ-SD 3.53Å; F41-M45 VanDerWaalsContact CZ-SD 3.53Å; F41-M45 PolarHBondContact O-N 2.97Å; A42-M45 PolarHBondContact O-N 3.01Å; M45-T48 PolarHBondContact O-N 3.16Å; M45-T48 PolarHBondContact O-OG1 2.94Å; M45-K49 WeakPolarHBondContact O-CB 3.27Å; M45-K49 PolarHBondContact O-N 3.29Å; M45-M356 HydrophobicContact CE-SD 3.92Å; M45-M359 HydrophobicContact CE-CB 4.07Å; M45-M359 HydrophobicContact CE-CE 3.99Å; M45-M359 HydrophobicContact CE-CG 4.08Å; M45-M359 HydrophobicContact SD-CE 4.1Å; M45-L363 HydrophobicContact SD-CD1 4.22Å
46Q86.9Confident87.4Confident16 Ų1651 Ų518%0.07527%0.265CS..Hα-helixtrans-64.5-52.8179.3-162.1-170.4-7.200111.4A42 G43 T44 T48 K49 D50 K161A42-Q46 WeakPolarHBondContact O-CB 3.35Å; A42-Q46 PolarHBondContact O-N 3.06Å; G43-Q46 PolarHBondContact O-N 3.21Å; T44-Q46 VanDerWaalsContact C-N 3.31Å; T44-Q46 PolarHBondContact O-N 2.91Å; Q46-T48 PolarHBondContact O-N 3.26Å; Q46-K49 PolarHBondContact O-N 3.31Å; Q46-D50 HydrophobicContact CG-CB 3.63Å; Q46-D50 WeakPolarHBondContact CG-OD2 3.4Å; Q46-D50 PolarHBondContact NE2-OD2 3.29Å; Q46-D50 WeakPolarHBondContact O-CB 3.43Å; Q46-D50 PolarHBondContact O-N 2.93Å; Q46-K161 PolarHBondContact NE2-O 3.15Å; Q46-K161 PolarHBondContact OE1-O 3.02Å
47L86.6Confident87.1Confident117 Ų11753.2 Ų53.261%0.61328%0.279SS*.Hα-helixtrans-59-20.3179.1-75.1169.5000114.4G43 Y165G43-L47 WeakPolarHBondContact O-CB 3.35Å; G43-L47 WeakPolarHBondContact O-CG 3.23Å; G43-L47 PolarHBondContact O-N 3.45Å; L47-Y165 WeakPolarHBondContact CD2-OH 3.34Å
48T83.7Confident86.4Confident98 Ų9852.1 Ų52.160%0.60128%0.275SS*.Hα-helixtrans-106.6-19.2-177.654.80000114.9T44 M45 Q46T44-T48 WeakPolarHBondContact O-CB 3.13Å; T44-T48 WeakPolarHBondContact O-CG2 3.49Å; T44-T48 PolarHBondContact O-N 3.06Å; T44-T48 PolarHBondContact O-OG1 2.94Å; M45-T48 PolarHBondContact O-N 3.16Å; M45-T48 PolarHBondContact O-OG1 2.94Å; Q46-T48 PolarHBondContact O-N 3.26Å
49K79.1Confident84.9Confident125 Ų12558.1 Ų58.154%0.54330%0.301SS..Hα-helixtrans-141.34.7-170.8-60.1-171.6179.7-1750115.6M45 Q46 Q51 M356M45-K49 WeakPolarHBondContact O-CB 3.27Å; M45-K49 PolarHBondContact O-N 3.29Å; Q46-K49 PolarHBondContact O-N 3.31Å; K49-Q51 VanDerWaalsContact C-N 3.34Å; K49-Q51 PolarHBondContact O-N 2.92Å; K49-M356 HydrophobicContact CB-CE 3.78Å; K49-M356 HydrophobicContact CB-SD 3.88Å; K49-M356 HydrophobicContact CD-CE 4.44Å
50D78.4Confident82.4Confident30 Ų3062.8 Ų62.816%0.1633%0.333CS..  trans-75.884.5178.7-162.48.4000111.3Q46 Y152 H354Q46-D50 HydrophobicContact CG-CB 3.63Å; Q46-D50 WeakPolarHBondContact CG-OD2 3.4Å; Q46-D50 PolarHBondContact NE2-OD2 3.29Å; Q46-D50 WeakPolarHBondContact O-CB 3.43Å; Q46-D50 PolarHBondContact O-N 2.93Å; D50-Y152 PolarHBondContact OD2-OH 2.72Å; D50-H354 IonicContact OD1-CD2 3.81Å; D50-H354 IonicContact OD1-CE1 3.57Å; D50-H354 IonicContact OD1-NE2 3.29Å; D50-H354 PolarHBondContact OD1-NE2 3.28Å
51Q80.8Confident79.6Confident139 Ų13967.8 Ų67.865%0.6537%0.366SS*.  trans-120.2135.6174.8-68.4-175.4-9.300110.3K49 N355K49-Q51 VanDerWaalsContact C-N 3.34Å; K49-Q51 PolarHBondContact O-N 2.92Å; Q51-N355 PolarHBondContact O-ND2 2.93Å
52V86.9Confident76.9Confident11 Ų1168.4 Ų68.47%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-105.4139169.5170.30000108.9N148 Y152 L156 C352 T353V52-N148 WeakPolarHBondContact O-CB 3.19Å; V52-N148 PolarHBondContact O-ND2 3.41Å; V52-Y152 HydrophobicContact CG2-CD2 3.91Å; V52-L156 HydrophobicContact CG2-CD1 3.46Å; V52-L156 VanDerWaalsContact CG2-CD1 3.46Å; V52-L156 HydrophobicContact CG2-CG 4.18Å; V52-C352 HydrophobicContact CG1-CB 3.78Å; V52-T353 WeakPolarHBondContact CA-O 3.49Å
53V90.1Very high74Confident64 Ų6475.5 Ų75.539%0.38842%0.416SS..EExtended strand (participates in β ladder)trans-118.1121.2173.9-178.40000108.6C352 T353V53-C352 CarbonylContact O-C 3.59Å; V53-C352 VanDerWaalsContact O-CA 3.32Å; V53-C352 WeakPolarHBondContact O-CA 3.42Å; V53-T353 PolarHBondContact N-O 3.48Å; V53-T353 PolarHBondContact O-N 3.28Å; V53-T353 PolarHBondContact O-OG1 2.98Å
54C89.9Confident71.1Confident0 Ų079.5 Ų79.50%044%0.442CS..EExtended strand (participates in β ladder)trans-115.1136.5-178.2-63.30000111.5I147 N148 C151 F350 E351 C352C54-I147 HydrophobicContact CB-CG2 3.74Å; C54-N148 WeakPolarHBondContact CB-OD1 3.35Å; C54-N148 PolarHBondContact N-OD1 3.01Å; C54-C151 WeakPolarHBondContact SG-CB 3.36Å; C54-F350 HydrophobicContact CB-CB 4.35Å; C54-E351 CarbonylContact C-O 3.56Å; C54-E351 VanDerWaalsContact CA-O 3.31Å; C54-E351 WeakPolarHBondContact CA-O 3.3Å; C54-C352 HydrophobicContact CB-CB 4.13Å; C54-C352 WeakPolarHBondContact CB-SG 3.2Å; C54-C352 WeakPolarHBondContact SG-CB 3.4Å; C54-C352 CovalentContact SG-SG 2.04Å; C54-C352 PolarHBondContact SG-SG 2.66Å
55L89.4Confident68.1Low102 Ų10287.7 Ų87.753%0.53447%0.474SS..EExtended strand (participates in β ladder)trans-124142.7175.3-62.8177.5000110.6Y144 F350 E351L55-Y144 HydrophobicContact CD2-CD1 4.46Å; L55-Y144 HydrophobicContact CD2-CE1 3.79Å; L55-F350 CarbonylContact O-C 3.58Å; L55-F350 VanDerWaalsContact O-CA 3.27Å; L55-F350 WeakPolarHBondContact O-CA 3.45Å; L55-E351 PolarHBondContact N-O 3.18Å; L55-E351 PolarHBondContact O-N 3.36Å
56P88.3Confident65.3Low13 Ų1391.1 Ų91.18%0.08451%0.507CS..EExtended strand (participates in β ladder)trans-70.3135.8179.628.1-34.6000111.8L58 T137 L139 Y347 F350P56-L58 PolarHBondContact O-N 3.21Å; P56-T137 HydrophobicContact CG-CG2 3.82Å; P56-L139 HydrophobicContact CG-CD1 3.98Å; P56-Y347 HydrophobicContact CB-CD1 3.63Å; P56-Y347 HydrophobicContact CB-CD2 3.74Å; P56-Y347 HydrophobicContact CB-CE1 3.95Å; P56-Y347 HydrophobicContact CB-CE2 4.03Å; P56-Y347 HydrophobicContact CB-CG 3.51Å; P56-Y347 HydrophobicContact CG-CD2 4.23Å; P56-Y347 HydrophobicContact CG-CE1 4.46Å; P56-Y347 HydrophobicContact CG-CE2 4.1Å; P56-Y347 HydrophobicContact CG-CG 4.45Å; P56-F350 HydrophobicContact CB-CD1 3.94Å; P56-F350 HydrophobicContact CB-CE1 3.73Å; P56-F350 HydrophobicContact CB-CZ 4.49Å; P56-F350 HydrophobicContact CG-CE1 4.46Å
57V83.9Confident62.5Low48 Ų4899 Ų9929%0.29154%0.544SS..  trans-84.2110.4173.4-178.50000108.8Q59 Q349 E351V57-Q59 PolarHBondContact O-N 3.18Å; V57-Q349 HydrophobicContact CB-CB 4.41Å; V57-Q349 HydrophobicContact CB-CG 4.11Å; V57-Q349 HydrophobicContact CG2-CG 3.96Å; V57-Q349 PolarHBondContact N-O 3.16Å; V57-E351 HydrophobicContact CG2-CB 4.01Å
58L74.1Confident60.1Low76 Ų7699.4 Ų99.440%0.39855%0.554SS.*  trans-72.5110.6170.5-74.291.6000109.7P56 S60 Y347P56-L58 PolarHBondContact O-N 3.21Å; L58-S60 PolarHBondContact O-N 2.87Å; L58-Y347 HydrophobicContact CG-CE1 4.22Å
59Q59.5Low57.3Low149 Ų14997.7 Ų97.770%0.69656%0.555SS**  trans-62.3119.1168.7-66.9-176.3-600110.1V57 T61V57-Q59 PolarHBondContact O-N 3.18Å; Q59-T61 PolarHBondContact O-N 3.03Å
60S39.3Very low54.7Low100 Ų10098 Ų9870%0.69957%0.568SS**  trans-73.211817154.80000110.1L58 V62L58-S60 PolarHBondContact O-N 2.87Å; S60-V62 PolarHBondContact O-N 3.49Å
61T30.6Very low52.2Low141 Ų141103.1 Ų103.187%0.86560%0.6SS**  trans-63.6103.5174.947.20000110.9Q59Q59-T61 PolarHBondContact O-N 3.03Å
62V33.2Very low49.7Very low123 Ų123100.3 Ų100.375%0.74561%0.609SS**  trans-107.492.7171.6-178.90000109.2S60S60-V62 PolarHBondContact O-N 3.49Å
63N28.5Very low46.8Very low150 Ų150110.1 Ų110.180%0.80265%0.65SS**  trans-117.8138.9167.4-86.4-12.7000108.7
64S27.7Very low43.7Very low95 Ų95111.4 Ų111.466%0.66467%0.668SS**  cis-158142.1-19.8-57.30000107.4
65K27.4Very low40.6Very low216 Ų216118.8 Ų118.894%0.93971%0.707SS**  trans-137.5145.3151-82.6-162.6174-178.40109
66A26.2Very low37.5Very low101 Ų101120 Ų12084%0.83572%0.719SS**  trans-90.3150.4-148.500000115.4
67Q28.3Very low34.5Very low181 Ų181124.8 Ų124.885%0.84675%0.748SS**  trans-66.1170153.2-118.3-179.821.800110.1
68P36.8Very low31.6Very low126 Ų126128.2 Ų128.282%0.81877%0.769SS**  -150.8171.856.641-20.3000118.3
69G24.6Very low29.2Very low61 Ų61130 Ų13063%0.62978%0.783SS**  trans89147.616300000116
70T25.3Very low27.5Very low133 Ų133131.1 Ų131.182%0.81679%0.788SS**  cis-154.8146.3-9.1-18.90000111.5
71T26.2Very low26.8Very low136 Ų136132 Ų13283%0.83479%0.79SS**  trans6.2136.6156.553.10000121.7
72G27.7Very low26.6Very low81 Ų81130.5 Ų130.584%0.83578%0.781SS**  121132.1129.400000117.9
73K25.8Very low26.2Very low216 Ų216131.4 Ų131.494%0.93979%0.786SS**  trans-104.4128.7152.5-77.1-174.1176-175.40108.2
74A25.6Very low26.1Very low92 Ų92127.3 Ų127.376%0.7678%0.78SS**  trans-169.9127.1142.400000110.8
75D23.8Very low26Very low154 Ų154132.9 Ų132.982%0.82480%0.796SS**  trans60.6133135.3-68.70.8000125.2
76V25.6Very low26Very low128 Ų128125.8 Ų125.878%0.77678%0.783SS**  trans91.1131.7137.1167.20000120.4
77T23.5Very low26Very low114 Ų114130 Ų13070%0.69979%0.786SS**  trans-19.5150.9169.761.70000118.4
78T23.1Very low25.9Very low120 Ų120128.9 Ų128.974%0.73679%0.785SS**  -153.4156.255.230.30000112.8
79V25.3Very low25.4Very low114 Ų114126.8 Ų126.869%0.69178%0.779SS**  45.612390.2-164.10000111.5
80E23.8Very low25.5Very low172 Ų172129.7 Ų129.780%0.80479%0.789SS**  cis-149.8-155.142.1-149.3145.7-128.300116.5
81T24.5Very low25.6Very low119 Ų119131.6 Ų131.673%0.7379%0.791SS**  trans-78.6178.6-16654.40000113.8
82T26Very low25.6Very low109 Ų109136 Ų13667%0.66979%0.793SS**  cis-161.2141.849.251.60000116.3
83T25.3Very low25.5Very low141 Ų141138.4 Ų138.487%0.86579%0.791SS**  trans41.8144.7139.463.30000122.7
84G25.6Very low25.6Very low65 Ų65133.9 Ų133.967%0.6778%0.781SS**  cis159.3-178.9-0.300000113.3
85Q26.6Very low25.7Very low212 Ų212135.1 Ų135.199%0.99179%0.785SS**  trans70142.5178.7-56.9175.5-31.300116.4
86G26.5Very low25.8Very low66 Ų66137.5 Ų137.568%0.6879%0.788SS**  cis172.2150.7-1000000113.1
87E27.4Very low25.8Very low191 Ų191134.6 Ų134.689%0.89378%0.784SS**  trans63.2154.6162.9-70.1152.4-159.800117.6
88D25.9Very low26Very low156 Ų156134.7 Ų134.783%0.83479%0.789SS**  cis-145.3177.8-0.2-148.8-13000113.1
89A26.1Very low26.3Very low82 Ų82133.4 Ų133.468%0.67879%0.791SS**  trans-110.7166.2-16500000116.8
90S27.2Very low27.3Very low122 Ų122133.1 Ų133.185%0.85379%0.791SS**  trans-174.4160.9142.534.90000116.2
91M26.6Very low27.4Very low173 Ų173131.1 Ų131.185%0.85279%0.791SS**  trans-22.9150.6176.9-65-178.7173.100120.2
92R25.7Very low27.7Very low230 Ų230131.5 Ų131.587%0.86879%0.793SS**  60.9140.755.7-61.7-173.3178.6-175.40.8112.8
93T26.4Very low27.6Very low130 Ų130132 Ų13280%0.79880%0.796SS**  cis-154.9163.710.5-14.70000114
94V28.4Very low28.5Very low121 Ų121130.6 Ų130.673%0.73379%0.789SS**  trans-61.1147.6175.7176.70000116.1
95S25.8Very low28.6Very low119 Ų119134.2 Ų134.283%0.83279%0.793SS**  trans179.4-176.8136.854.60000113.7
96F27.5Very low28.6Very low203 Ų203130.2 Ų130.289%0.8978%0.783SS**  -152.7150.4-117.5-135.8-82.4000113.7
97G25.9Very low29.4Very low67 Ų67132 Ų13269%0.69178%0.782SS**  trans90.1167.2166.600000117.4
98S27.5Very low29.3Very low117 Ų117130.6 Ų130.682%0.81878%0.78SS**  cis-174.9146.7-16.852.80000113.8
99A27.5Very low29.4Very low93 Ų93128 Ų12877%0.76978%0.775SS**  trans82.1176.3151.900000119.3
100P48Very low29.5Very low108 Ų108135.7 Ų135.770%0.70179%0.786SS**  -143.3-155.9-112.836-9.4000117.2
101T26.1Very low29.5Very low130 Ų130133.7 Ų133.780%0.79878%0.777SS**  trans79.9149.6165.367.10000118.5
102V29.1Very low29.4Very low127 Ų127131.6 Ų131.677%0.7777%0.774SS**  cis-157.3170.3-9.5121.10000112.4
103T24.8Very low29.3Very low119 Ų119125.8 Ų125.873%0.7377%0.769SS**  trans-46.3172.2-179.557.50000118.8
104P44.3Very low29.1Very low112 Ų112124.1 Ų124.173%0.72776%0.762SS**  cis-131.4-150.816.337.5-13.3000113.6
105D26.2Very low29Very low141 Ų141127.7 Ų127.775%0.75477%0.771SS**  cis-157.5-161.16.8-142.4-56.3000113.2
106V27.8Very low28.9Very low127 Ų127133.1 Ų133.177%0.7778%0.775SS**  trans-138.8-159.7-176.6-113.90000110.5
107P42.5Very low28.9Very low103 Ų103131.8 Ų131.867%0.66977%0.771SS**  cis-136.7-173.4-2.246.1-28.6000117.2
108L26.3Very low29.6Very low162 Ų162133.2 Ų133.285%0.84877%0.768SS**  trans65.6152.9163.8-90.973.2000118.7
109S28.6Very low29.4Very low103 Ų103133.1 Ų133.172%0.7276%0.763SS**  cis-157.1148.9-10.352.70000114.9
110R27.3Very low29.4Very low243 Ų243136.9 Ų136.992%0.91777%0.765SS**  trans23.4120.7150.9-87.6-177.3172.4162-2.2123.7
111A26.1Very low28.4Very low80 Ų80137.5 Ų137.566%0.66177%0.771SS**  106123.8106.600000123.4
112T24.9Very low28.4Very low129 Ų129134.7 Ų134.779%0.79177%0.769SS**  trans70.8116.2139.643.70000124.1
113S23.5Very low28.5Very low108 Ų108138.4 Ų138.476%0.75578%0.778SS**  107.1151.811771.90000122.4
114S23.4Very low28.8Very low94 Ų94141.2 Ų141.266%0.65778%0.782SS**  trans65.2103.4160.150.80000122.4
115Q25.9Very low28.2Very low197 Ų197144.2 Ų144.292%0.92179%0.791SS**  74.8156125.3-70.7172.2-44.800121.1
116Y22.5Very low28.6Very low232 Ų232146.3 Ų146.391%0.9179%0.794SS**  trans-131.2156.7-163.4-122-95.3000110.1
117Q28.5Very low29Very low176 Ų176150 Ų15082%0.82280%0.8SS**  trans119.3153156.9-74.3-163.6-13.600116
118P40Very low28.8Very low97 Ų97154.6 Ų154.663%0.6381%0.812SS**  cis-134.7-159.4-19.832.5-10.9000113
119T23.3Very low29.3Very low115 Ų115155.9 Ų155.971%0.70681%0.814SS**  trans70.2141.7156.745.40000118.6
120E27.7Very low30.1Very low171 Ų171160.2 Ų160.280%0.79982%0.82SS**  cis-161.1172.5-10.4-137.8168.8-140.400112.7
121S27.5Very low30.8Very low121 Ų121156 Ų15685%0.84682%0.815SS**  trans66.9149169.776.20000118.9
122G26.9Very low32.1Very low72 Ų72158 Ų15874%0.74282%0.824SS**  cis142.5107.2-17.800000115.6
123Q30.9Very low34.3Very low205 Ų205156.9 Ų156.996%0.95882%0.822SS**  trans-160.6152.5155.9-116.61731800112.1
124E31.3Very low36.6Very low177 Ų177155.3 Ų155.383%0.82782%0.823SS**  trans-106.5162-166.2-54.6-177.9122.600114.3
125L30.8Very low39.2Very low175 Ų175160.4 Ų160.492%0.91683%0.828SS**  trans-142.7126157-123.6164.4000110.2
126K34.9Very low41.7Very low186 Ų186160 Ų16081%0.80982%0.823SS**  trans-73.5147.7-165.7-65.9176.8178.1176.90113.6
127K36.3Very low44.4Very low204 Ų204150.5 Ų150.589%0.88779%0.789SS**  trans-135.2147160.1-107.3-178.7177177.70110
128E38.8Very low46.9Very low199 Ų199149.3 Ų149.393%0.9379%0.788SS**  trans-68.7128.7-174.8-61.616911700111.6
129Q35.9Very low49.1Very low189 Ų189146 Ų14688%0.88377%0.765SS**  trans-88.5131.1170.2-72.3175.4-85.500110.1
130K46.3Very low52.2Low194 Ų194145 Ų14584%0.84376%0.755SS**  trans-109.7122.2167.7-155.1172.3-169.61720107S132K130-S132 PolarHBondContact O-N 3.41Å; K130-S132 PolarHBondContact O-OG 3.25Å; K130-S132 VanDerWaalsContact O-OG 3.11Å
131D41.7Very low55.1Low154 Ų154144.2 Ų144.282%0.82475%0.749SS**  trans-59.2108.5-168.4-78-49.2000112.4S133D131-S133 PolarHBondContact O-N 2.81Å
132S53.5Low58.1Low122 Ų122144.6 Ų144.685%0.85374%0.738SS**  trans-84.162.3-172.8-620000111.2K130 G134K130-S132 PolarHBondContact O-N 3.41Å; K130-S132 PolarHBondContact O-OG 3.25Å; K130-S132 VanDerWaalsContact O-OG 3.11Å; S132-G134 PolarHBondContact O-N 2.85Å
133S70.3Confident61Low107 Ų107144 Ų14475%0.74872%0.716SS**PPolyproline II helixtrans-64.3131.6174.758.90000111.4D131D131-S133 PolarHBondContact O-N 2.81Å
134G72.1Confident63.8Low74 Ų74136.3 Ų136.376%0.76368%0.678SS**PPolyproline II helixtrans-67.9136.5-178.700000112.5S132S132-G134 PolarHBondContact O-N 2.85Å
135R78.5Confident66.6Low202 Ų202130.7 Ų130.776%0.76266%0.656SS**PPolyproline II helixtrans-77.3133179.6-63-176.5-178.7-175.90.5111.1
136K78.2Confident69.4Low188 Ų188126.5 Ų126.582%0.81763%0.63SS**PPolyproline II helixtrans-92.5130.4170-63.2-175.8-179.5-1780109.8
137T78.4Confident72Confident32 Ų32117.7 Ų117.720%0.19659%0.592CS.*  trans-104.2-11.2-179.949.40000113.4P56 L139 Y144P56-T137 HydrophobicContact CG-CG2 3.82Å; T137-L139 PolarHBondContact O-N 2.91Å; T137-L139 VanDerWaalsContact O-N 3.13Å; T137-Y144 WeakPolarHBondContact CB-OH 3.43Å; T137-Y144 PolarHBondContact OG1-OH 2.96Å
138N81.7Confident74.5Confident152 Ų152109.6 Ų109.681%0.81356%0.559SS**  trans55.622.1-175.9-56.5-17.5000114.9
139L85.3Confident76.9Confident26 Ų26105.4 Ų105.414%0.13654%0.539CS..  trans-92.3140.5173.3-67.8175.2000111P56 T137 Y144 I345 Y347P56-L139 HydrophobicContact CG-CD1 3.98Å; T137-L139 PolarHBondContact O-N 2.91Å; T137-L139 VanDerWaalsContact O-N 3.13Å; L139-Y144 HydrophobicContact CB-CD2 4.08Å; L139-Y144 HydrophobicContact CB-CE2 3.51Å; L139-Y144 HydrophobicContact CD1-CE1 4.2Å; L139-Y144 HydrophobicContact CD1-CE2 4.25Å; L139-I345 HydrophobicContact CD1-CG2 4.5Å; L139-I345 HydrophobicContact CD2-CG2 3.87Å; L139-I345 WeakPolarHBondContact CD2-O 3.33Å; L139-Y347 HydrophobicContact CD1-CD2 4.06Å; L139-Y347 HydrophobicContact CD1-CE2 3.98Å; L139-Y347 HydrophobicContact CD2-CD2 4.43Å; L139-Y347 HydrophobicContact CD2-CE2 4.39Å; L139-Y347 HydrophobicContact CG-CD2 4.48Å; L139-Y347 HydrophobicContact CG-CE2 4.14Å
140D89.2Confident79.4Confident95 Ų9599.2 Ų99.251%0.50851%0.511SS..  trans-78.5155.1171.3177.353.2000112.2Q142 Q143 Y144D140-Q142 VanDerWaalsContact C-N 3.28Å; D140-Q142 PolarHBondContact O-N 3.1Å; D140-Q142 WeakPolarHBondContact OD2-CB 3.14Å; D140-Q142 PolarHBondContact OD2-N 3.32Å; D140-Q143 HydrophobicContact CB-CG 4.46Å; D140-Q143 WeakPolarHBondContact O-CB 3.4Å; D140-Q143 PolarHBondContact O-N 3.26Å; D140-Q143 VanDerWaalsContact O-N 3.08Å; D140-Y144 WeakPolarHBondContact O-CD2 3.42Å; D140-Y144 PolarHBondContact O-N 3.04Å; D140-Y144 VanDerWaalsContact O-N 3.15Å
141F88.8Confident81.4Confident154 Ų15490 Ų9068%0.67547%0.471SS*.Hα-helixtrans-57.6-38.5177.3-176.8-99.9000112.8Q143 Y144 V145F141-Q143 VanDerWaalsContact C-N 3.27Å; F141-Q143 PolarHBondContact O-N 3Å; F141-Y144 WeakPolarHBondContact O-CB 3.39Å; F141-Y144 PolarHBondContact O-N 2.9Å; F141-V145 HydrophobicContact CD1-CG2 4.12Å; F141-V145 HydrophobicContact CE1-CG2 3.66Å; F141-V145 HydrophobicContact CZ-CG2 3.92Å; F141-V145 WeakPolarHBondContact O-CG2 3.4Å; F141-V145 PolarHBondContact O-N 2.89Å
142Q89.6Confident83.6Confident130 Ų13084.7 Ų84.761%0.60744%0.44SS*.Hα-helixtrans-67.6-29.7178.5-171.962.59.500112D140 F146D140-Q142 VanDerWaalsContact C-N 3.28Å; D140-Q142 PolarHBondContact O-N 3.1Å; D140-Q142 WeakPolarHBondContact OD2-CB 3.14Å; D140-Q142 PolarHBondContact OD2-N 3.32Å; Q142-F146 PolarHBondContact O-N 2.95Å
143Q88.8Confident85.3Confident59 Ų5983.7 Ų83.728%0.27642%0.421SS..Hα-helixtrans-65.7-50.8170-64.5175.4-6000109.7D140 F141 V145 F146 I147 L344D140-Q143 HydrophobicContact CB-CG 4.46Å; D140-Q143 WeakPolarHBondContact O-CB 3.4Å; D140-Q143 PolarHBondContact O-N 3.26Å; D140-Q143 VanDerWaalsContact O-N 3.08Å; F141-Q143 VanDerWaalsContact C-N 3.27Å; F141-Q143 PolarHBondContact O-N 3Å; Q143-V145 VanDerWaalsContact C-N 3.28Å; Q143-V145 PolarHBondContact O-N 3.06Å; Q143-F146 CarbonylContact O-C 3.58Å; Q143-F146 WeakPolarHBondContact O-CA 3.22Å; Q143-F146 WeakPolarHBondContact O-CB 3.08Å; Q143-F146 PolarHBondContact O-N 3Å; Q143-I147 HydrophobicContact CB-CD1 4.28Å; Q143-I147 WeakPolarHBondContact O-CD1 3.14Å; Q143-I147 PolarHBondContact O-N 3.47Å; Q143-L344 PolarHBondContact NE2-O 3.3Å
144Y89.1Confident86.1Confident44 Ų4484 Ų8417%0.17341%0.414CS..Hα-helixtrans-52.4-43.6176.9-80.3-75.4000113.1L55 T137 L139 D140 F141 F146 I147 N148L55-Y144 HydrophobicContact CD2-CD1 4.46Å; L55-Y144 HydrophobicContact CD2-CE1 3.79Å; T137-Y144 WeakPolarHBondContact CB-OH 3.43Å; T137-Y144 PolarHBondContact OG1-OH 2.96Å; L139-Y144 HydrophobicContact CB-CD2 4.08Å; L139-Y144 HydrophobicContact CB-CE2 3.51Å; L139-Y144 HydrophobicContact CD1-CE1 4.2Å; L139-Y144 HydrophobicContact CD1-CE2 4.25Å; D140-Y144 WeakPolarHBondContact O-CD2 3.42Å; D140-Y144 PolarHBondContact O-N 3.04Å; D140-Y144 VanDerWaalsContact O-N 3.15Å; F141-Y144 WeakPolarHBondContact O-CB 3.39Å; F141-Y144 PolarHBondContact O-N 2.9Å; Y144-F146 VanDerWaalsContact C-N 3.33Å; Y144-F146 PolarHBondContact O-N 3.35Å; Y144-I147 PolarHBondContact O-N 2.87Å; Y144-N148 WeakPolarHBondContact O-CB 3.18Å; Y144-N148 PolarHBondContact O-N 3.09Å; Y144-N148 PolarHBondContact O-ND2 2.97Å; Y144-N148 PolarHBondContact O-OD1 2.98Å
145V89.6Confident86.7Confident59 Ų5981.8 Ų81.836%0.35839%0.388SS..Hα-helixtrans-60.6-40.5175.1175.40000111.9F141 Q143 N148 Q149F141-V145 HydrophobicContact CD1-CG2 4.12Å; F141-V145 HydrophobicContact CE1-CG2 3.66Å; F141-V145 HydrophobicContact CZ-CG2 3.92Å; F141-V145 WeakPolarHBondContact O-CG2 3.4Å; F141-V145 PolarHBondContact O-N 2.89Å; Q143-V145 VanDerWaalsContact C-N 3.28Å; Q143-V145 PolarHBondContact O-N 3.06Å; V145-N148 PolarHBondContact O-N 3.35Å; V145-Q149 PolarHBondContact O-N 3.11Å
146F89.7Confident87.1Confident86 Ų8672.6 Ų72.638%0.37735%0.354SS..Hα-helixtrans-66.1-43.5175.4176.4-94.1000113Q142 Q143 Y144 Q149 M150 V341 L344 I345Q142-F146 PolarHBondContact O-N 2.95Å; Q143-F146 CarbonylContact O-C 3.58Å; Q143-F146 WeakPolarHBondContact O-CA 3.22Å; Q143-F146 WeakPolarHBondContact O-CB 3.08Å; Q143-F146 PolarHBondContact O-N 3Å; Y144-F146 VanDerWaalsContact C-N 3.33Å; Y144-F146 PolarHBondContact O-N 3.35Å; F146-Q149 PolarHBondContact O-N 2.92Å; F146-M150 HydrophobicContact CE1-CE 4.15Å; F146-M150 HydrophobicContact CE2-CE 4.08Å; F146-M150 HydrophobicContact CZ-CE 3.55Å; F146-M150 VanDerWaalsContact O-CB 3.31Å; F146-M150 WeakPolarHBondContact O-CB 3.45Å; F146-M150 PolarHBondContact O-N 3.32Å; F146-V341 HydrophobicContact CE1-CG1 4.4Å; F146-L344 HydrophobicContact CD1-CD2 4.49Å; F146-L344 HydrophobicContact CE1-CD2 3.88Å; F146-L344 HydrophobicContact CZ-CD2 4.19Å; F146-I345 HydrophobicContact CD1-CD1 4Å; F146-I345 HydrophobicContact CE1-CD1 4.07Å
147I89.3Confident87.5Confident2 Ų265.2 Ų65.21%0.0133%0.325CS..Hα-helixtrans-62.7-46.3174.4-71.680.2000109.9C54 Q143 Y144 Q149 M150 C151 I345 F350C54-I147 HydrophobicContact CB-CG2 3.74Å; Q143-I147 HydrophobicContact CB-CD1 4.28Å; Q143-I147 WeakPolarHBondContact O-CD1 3.14Å; Q143-I147 PolarHBondContact O-N 3.47Å; Y144-I147 PolarHBondContact O-N 2.87Å; I147-Q149 VanDerWaalsContact C-N 3.28Å; I147-Q149 PolarHBondContact O-N 3.04Å; I147-M150 PolarHBondContact O-N 2.86Å; I147-M150 VanDerWaalsContact O-N 3.15Å; I147-C151 WeakPolarHBondContact O-CB 3.27Å; I147-C151 PolarHBondContact O-N 3.04Å; I147-I345 HydrophobicContact CD1-CD1 3.47Å; I147-I345 VanDerWaalsContact CD1-CD1 3.47Å; I147-I345 HydrophobicContact CD1-CG1 3.81Å; I147-I345 HydrophobicContact CD1-CG2 3.93Å; I147-I345 HydrophobicContact CG1-CD1 3.94Å; I147-I345 HydrophobicContact CG1-CG2 4.38Å; I147-F350 HydrophobicContact CB-CE1 4.47Å; I147-F350 HydrophobicContact CG1-CD1 4.41Å; I147-F350 HydrophobicContact CG1-CE1 3.83Å; I147-F350 HydrophobicContact CG1-CE2 4.46Å; I147-F350 HydrophobicContact CG1-CZ 3.86Å; I147-F350 HydrophobicContact CG2-CB 4.42Å; I147-F350 HydrophobicContact CG2-CD1 3.67Å; I147-F350 HydrophobicContact CG2-CD2 4.29Å; I147-F350 HydrophobicContact CG2-CE1 3.95Å; I147-F350 HydrophobicContact CG2-CG 3.86Å; I147-F350 HydrophobicContact CG2-CZ 4.37Å
148N90.3Very high87.9Confident34 Ų3470.2 Ų70.218%0.18234%0.341CS..Hα-helixtrans-54.6-45.8179.2-69.8-10.2000111V52 C54 Y144 V145 Y152V52-N148 WeakPolarHBondContact O-CB 3.19Å; V52-N148 PolarHBondContact O-ND2 3.41Å; C54-N148 WeakPolarHBondContact CB-OD1 3.35Å; C54-N148 PolarHBondContact N-OD1 3.01Å; Y144-N148 WeakPolarHBondContact O-CB 3.18Å; Y144-N148 PolarHBondContact O-N 3.09Å; Y144-N148 PolarHBondContact O-ND2 2.97Å; Y144-N148 PolarHBondContact O-OD1 2.98Å; V145-N148 PolarHBondContact O-N 3.35Å; N148-Y152 WeakPolarHBondContact O-CB 3.44Å; N148-Y152 PolarHBondContact O-N 2.82Å
149Q89.1Confident88.2Confident111 Ų11164.6 Ų64.652%0.51931%0.309SS..Hα-helixtrans-69.3-41.1177.2-174.367.2-7.500112.7V145 F146 I147 Y152 H153V145-Q149 PolarHBondContact O-N 3.11Å; F146-Q149 PolarHBondContact O-N 2.92Å; I147-Q149 VanDerWaalsContact C-N 3.28Å; I147-Q149 PolarHBondContact O-N 3.04Å; Q149-Y152 PolarHBondContact O-N 3Å; Q149-H153 PolarHBondContact NE2-NE2 3.35Å; Q149-H153 PolarHBondContact O-CD2 3.22Å; Q149-H153 PolarHBondContact O-N 3.31Å; Q149-H153 VanDerWaalsContact O-N 3.12Å
150M87.6Confident88.2Confident58 Ų5863.6 Ų63.629%0.28630%0.303SS..Hα-helixtrans-63.6-46.6178.2-174.262.36800111.6F146 I147 H153 L154 P339F146-M150 HydrophobicContact CE1-CE 4.15Å; F146-M150 HydrophobicContact CE2-CE 4.08Å; F146-M150 HydrophobicContact CZ-CE 3.55Å; F146-M150 VanDerWaalsContact O-CB 3.31Å; F146-M150 WeakPolarHBondContact O-CB 3.45Å; F146-M150 PolarHBondContact O-N 3.32Å; I147-M150 PolarHBondContact O-N 2.86Å; I147-M150 VanDerWaalsContact O-N 3.15Å; M150-H153 PolarHBondContact O-N 2.91Å; M150-L154 HydrophobicContact CG-CD1 3.93Å; M150-L154 WeakPolarHBondContact O-CB 3.22Å; M150-L154 WeakPolarHBondContact O-CG 3.42Å; M150-L154 PolarHBondContact O-N 2.86Å; M150-L154 HydrophobicContact SD-CD1 3.92Å; M150-L154 HydrophobicContact SD-CG 4.37Å; M150-P339 HydrophobicContact CG-CB 4.07Å
151C88.3Confident88.1Confident1 Ų159.7 Ų59.71%0.00728%0.282CS..Hα-helixtrans-74.5-29.7178.1-71.60000113C54 I147 H153 L154 A155 C337 C352C54-C151 WeakPolarHBondContact SG-CB 3.36Å; I147-C151 WeakPolarHBondContact O-CB 3.27Å; I147-C151 PolarHBondContact O-N 3.04Å; C151-H153 VanDerWaalsContact C-N 3.29Å; C151-H153 PolarHBondContact O-N 2.9Å; C151-L154 PolarHBondContact O-N 3.25Å; C151-A155 WeakPolarHBondContact O-CB 3.17Å; C151-A155 PolarHBondContact O-N 2.86Å; C151-C337 WeakPolarHBondContact CA-SG 3.47Å; C151-C337 HydrophobicContact CB-CB 3.7Å; C151-C337 WeakPolarHBondContact CB-SG 3.21Å; C151-C337 WeakPolarHBondContact SG-CB 3.47Å; C151-C337 CovalentContact SG-SG 2.03Å; C151-C337 PolarHBondContact SG-SG 2.81Å; C151-C352 VanDerWaalsContact CB-SG 3.58Å
152Y89.1Confident88.2Confident42 Ų4258.4 Ų58.417%0.16527%0.274CS..Hα-helixtrans-54.4-49.1164.6177.3-86.8000109.7D50 V52 N148 Q149 L156 K161D50-Y152 PolarHBondContact OD2-OH 2.72Å; V52-Y152 HydrophobicContact CG2-CD2 3.91Å; N148-Y152 WeakPolarHBondContact O-CB 3.44Å; N148-Y152 PolarHBondContact O-N 2.82Å; Q149-Y152 PolarHBondContact O-N 3Å; Y152-L156 HydrophobicContact CD2-CD1 3.5Å; Y152-L156 VanDerWaalsContact CD2-CD1 3.5Å; Y152-L156 HydrophobicContact CE2-CD1 3.68Å; Y152-L156 HydrophobicContact CG-CD1 4.29Å; Y152-L156 WeakPolarHBondContact O-CB 3.14Å; Y152-K161 HydrophobicContact CE1-CD 4.35Å; Y152-K161 HydrophobicContact CE1-CG 4.41Å; Y152-K161 WeakPolarHBondContact O-CE 3.28Å; Y152-K161 PolarHBondContact O-NZ 2.93Å
153H88.2Confident88.2Confident102 Ų10252.8 Ų52.847%0.47225%0.247SC..Hα-helixtrans-69.3-44.3178.8-72.1-59.6000113.8Q149 M150 C151 K161Q149-H153 PolarHBondContact NE2-NE2 3.35Å; Q149-H153 PolarHBondContact O-CD2 3.22Å; Q149-H153 PolarHBondContact O-N 3.31Å; Q149-H153 VanDerWaalsContact O-N 3.12Å; M150-H153 PolarHBondContact O-N 2.91Å; C151-H153 VanDerWaalsContact C-N 3.29Å; C151-H153 PolarHBondContact O-N 2.9Å; H153-K161 PolarHBondContact O-NZ 3.25Å
154L87.3Confident88.2Confident114 Ų11450.1 Ų50.160%0.59724%0.235SC*.Hα-helixtrans-83.9-40-172.2-65.8177.5000115.7M150 C151 P339M150-L154 HydrophobicContact CG-CD1 3.93Å; M150-L154 WeakPolarHBondContact O-CB 3.22Å; M150-L154 WeakPolarHBondContact O-CG 3.42Å; M150-L154 PolarHBondContact O-N 2.86Å; M150-L154 HydrophobicContact SD-CD1 3.92Å; M150-L154 HydrophobicContact SD-CG 4.37Å; C151-L154 PolarHBondContact O-N 3.25Å; L154-P339 HydrophobicContact CD1-CB 4.28Å
155A85.3Confident88.3Confident26 Ų2652.4 Ų52.422%0.21524%0.244CC..Hα-helixtrans-99.1-31.6-168.200000114C151 P157 H335 C337C151-A155 WeakPolarHBondContact O-CB 3.17Å; C151-A155 PolarHBondContact O-N 2.86Å; A155-P157 WeakPolarHBondContact O-CD 3.27Å; A155-H335 HydrophobicContact CB-CB 4.46Å; A155-C337 HydrophobicContact CB-CB 3.77Å
156L86.4Confident88.4Confident9 Ų952 Ų525%0.04724%0.239CC..SBendtrans-71.4127.6177.3-96174.7000111.8V52 Y152 K161 H335 H354V52-L156 HydrophobicContact CG2-CD1 3.46Å; V52-L156 VanDerWaalsContact CG2-CD1 3.46Å; V52-L156 HydrophobicContact CG2-CG 4.18Å; Y152-L156 HydrophobicContact CD2-CD1 3.5Å; Y152-L156 VanDerWaalsContact CD2-CD1 3.5Å; Y152-L156 HydrophobicContact CE2-CD1 3.68Å; Y152-L156 HydrophobicContact CG-CD1 4.29Å; Y152-L156 WeakPolarHBondContact O-CB 3.14Å; L156-K161 PolarHBondContact O-NZ 3.19Å; L156-H335 WeakPolarHBondContact CD2-NE2 3.42Å; L156-H354 HydrophobicContact CD2-CB 4.15Å
157P86.7Confident88.5Confident33 Ų3347.9 Ų47.921%0.21422%0.221CC..  trans-60.3146.7173.7-24.134.5000113.2A155 Y159 S160A155-P157 WeakPolarHBondContact O-CD 3.27Å; P157-Y159 VanDerWaalsContact C-N 3.27Å; P157-Y159 HydrophobicContact CB-CD1 3.95Å; P157-Y159 HydrophobicContact CB-CD2 4.2Å; P157-Y159 HydrophobicContact CB-CE1 3.44Å; P157-Y159 VanDerWaalsContact CB-CE1 3.44Å; P157-Y159 HydrophobicContact CB-CE2 3.7Å; P157-Y159 HydrophobicContact CB-CG 4.3Å; P157-Y159 HydrophobicContact CG-CE1 4.29Å; P157-Y159 HydrophobicContact CG-CE2 4.16Å; P157-Y159 WeakPolarHBondContact CG-OH 3.36Å; P157-Y159 PolarHBondContact O-N 3.23Å; P157-S160 WeakPolarHBondContact O-CB 3.38Å; P157-S160 PolarHBondContact O-N 3.42Å
158W87.7Confident88.5Confident137 Ų13749.4 Ų49.452%0.51923%0.229SC..Hα-helixtrans-59.5-33.5-177.167-97.5000113.5S160 K161 Y162 L166 F327W158-S160 VanDerWaalsContact C-N 3.27Å; W158-S160 PolarHBondContact O-N 3.42Å; W158-K161 PolarHBondContact O-N 2.9Å; W158-K161 VanDerWaalsContact O-N 3.15Å; W158-Y162 HydrophobicContact CB-CD2 4.12Å; W158-Y162 HydrophobicContact CB-CE2 4.45Å; W158-Y162 VanDerWaalsContact O-CD2 3.23Å; W158-Y162 WeakPolarHBondContact O-CD2 3.42Å; W158-Y162 PolarHBondContact O-N 3.14Å; W158-L166 HydrophobicContact CE3-CD1 4.46Å; W158-L166 HydrophobicContact CZ3-CD1 3.74Å; W158-F327 AromaticContact CH2-CE2 3.46Å; W158-F327 HydrophobicContact CH2-CE2 3.46Å; W158-F327 VanDerWaalsContact CH2-CE2 3.46Å; W158-F327 AromaticContact CH2-CZ 3.56Å; W158-F327 HydrophobicContact CH2-CZ 3.56Å; W158-F327 HydrophobicContact CZ2-CE1 4.32Å; W158-F327 AromaticContact CZ2-CE2 3.81Å; W158-F327 HydrophobicContact CZ2-CE2 3.81Å; W158-F327 AromaticContact CZ2-CZ 3.43Å; W158-F327 HydrophobicContact CZ2-CZ 3.43Å; W158-F327 VanDerWaalsContact CZ2-CZ 3.43Å; W158-F327 HydrophobicContact CZ3-CE2 4.2Å
159Y86.6Confident88.6Confident35 Ų3552 Ų5214%0.13724%0.242CC..Hα-helixtrans-66.7-29.1177.751.8-103.5000112.4P157 K161 F163 F327 A330 I331P157-Y159 VanDerWaalsContact C-N 3.27Å; P157-Y159 HydrophobicContact CB-CD1 3.95Å; P157-Y159 HydrophobicContact CB-CD2 4.2Å; P157-Y159 HydrophobicContact CB-CE1 3.44Å; P157-Y159 VanDerWaalsContact CB-CE1 3.44Å; P157-Y159 HydrophobicContact CB-CE2 3.7Å; P157-Y159 HydrophobicContact CB-CG 4.3Å; P157-Y159 HydrophobicContact CG-CE1 4.29Å; P157-Y159 HydrophobicContact CG-CE2 4.16Å; P157-Y159 WeakPolarHBondContact CG-OH 3.36Å; P157-Y159 PolarHBondContact O-N 3.23Å; Y159-K161 VanDerWaalsContact C-N 3.31Å; Y159-F163 WeakPolarHBondContact O-CB 3.4Å; Y159-F163 PolarHBondContact O-N 3.43Å; Y159-F163 VanDerWaalsContact O-N 3.16Å; Y159-F327 HydrophobicContact CD1-CB 4.44Å; Y159-F327 AromaticContact CD1-CD1 3.79Å; Y159-F327 HydrophobicContact CD1-CD1 3.79Å; Y159-F327 HydrophobicContact CD1-CD2 4.22Å; Y159-F327 HydrophobicContact CD1-CE1 4.09Å; Y159-F327 HydrophobicContact CD1-CE2 4.47Å; Y159-F327 AromaticContact CD1-CG 3.9Å; Y159-F327 HydrophobicContact CD1-CG 3.9Å; Y159-F327 HydrophobicContact CD1-CZ 4.44Å; Y159-F327 HydrophobicContact CD2-CB 4.14Å; Y159-F327 HydrophobicContact CD2-CG 4.41Å; Y159-F327 HydrophobicContact CE1-CD1 4.15Å; Y159-F327 HydrophobicContact CG-CB 4.08Å; Y159-F327 HydrophobicContact CG-CD1 4.23Å; Y159-F327 AromaticContact CG-CD2 3.98Å; Y159-F327 HydrophobicContact CG-CD2 3.98Å; Y159-F327 AromaticContact CG-CG 3.84Å; Y159-F327 HydrophobicContact CG-CG 3.84Å; Y159-A330 HydrophobicContact CE2-CB 4.45Å; Y159-A330 WeakPolarHBondContact OH-CB 3.45Å; Y159-A330 PolarHBondContact OH-O 3.29Å; Y159-I331 HydrophobicContact CD2-CG1 4.04Å; Y159-I331 HydrophobicContact CE2-CG1 3.77Å
160S86.1Confident88.8Confident4 Ų447.6 Ų47.63%0.02822%0.222CC..Hα-helixtrans-67.6-35.5174.2-155.60000111.3P157 W158 H354 L360P157-S160 WeakPolarHBondContact O-CB 3.38Å; P157-S160 PolarHBondContact O-N 3.42Å; W158-S160 VanDerWaalsContact C-N 3.27Å; W158-S160 PolarHBondContact O-N 3.42Å; S160-H354 PolarHBondContact OG-CE1 2.96Å; S160-H354 PolarHBondContact OG-ND1 3.06Å; S160-L360 WeakPolarHBondContact O-CD2 3.37Å
161K87.2Confident88.9Confident14 Ų1444.9 Ų44.96%0.06121%0.208CC..Hα-helixtrans-81.8-30.4-179.2-65.1168.8173.6144.20114.8Q46 Y152 H153 L156 W158 Y159Q46-K161 PolarHBondContact NE2-O 3.15Å; Q46-K161 PolarHBondContact OE1-O 3.02Å; Y152-K161 HydrophobicContact CE1-CD 4.35Å; Y152-K161 HydrophobicContact CE1-CG 4.41Å; Y152-K161 WeakPolarHBondContact O-CE 3.28Å; Y152-K161 PolarHBondContact O-NZ 2.93Å; H153-K161 PolarHBondContact O-NZ 3.25Å; L156-K161 PolarHBondContact O-NZ 3.19Å; W158-K161 PolarHBondContact O-N 2.9Å; W158-K161 VanDerWaalsContact O-N 3.15Å; Y159-K161 VanDerWaalsContact C-N 3.31Å
162Y90.1Very high89Confident127 Ų12747.3 Ų47.350%0.49822%0.221SC..Hα-helixtrans-120.9-3.3-166.4-60.4-60000115.2W158 Y165 L166W158-Y162 HydrophobicContact CB-CD2 4.12Å; W158-Y162 HydrophobicContact CB-CE2 4.45Å; W158-Y162 VanDerWaalsContact O-CD2 3.23Å; W158-Y162 WeakPolarHBondContact O-CD2 3.42Å; W158-Y162 PolarHBondContact O-N 3.14Å; Y162-Y165 HydrophobicContact CD1-CD2 4.5Å; Y162-Y165 PolarHBondContact O-N 2.76Å; Y162-L166 WeakPolarHBondContact O-CG 3.2Å; Y162-L166 PolarHBondContact O-N 2.92Å
163F89.6Confident89Confident12 Ų1248.3 Ų48.35%0.05323%0.228CC..Hα-helixtrans-51.1-49-179.7164.6-108.3000114.3Y159 Y165 L166 A167 L360 L364 Y367Y159-F163 WeakPolarHBondContact O-CB 3.4Å; Y159-F163 PolarHBondContact O-N 3.43Å; Y159-F163 VanDerWaalsContact O-N 3.16Å; F163-Y165 VanDerWaalsContact C-N 3.35Å; F163-Y165 PolarHBondContact O-N 2.83Å; F163-L166 PolarHBondContact O-N 2.89Å; F163-A167 HydrophobicContact CE2-CB 4.02Å; F163-A167 HydrophobicContact CZ-CB 4.18Å; F163-A167 WeakPolarHBondContact O-CB 3.39Å; F163-A167 PolarHBondContact O-N 3.3Å; F163-L360 HydrophobicContact CD1-CD1 3.83Å; F163-L360 HydrophobicContact CD1-CG 4.45Å; F163-L364 HydrophobicContact CD2-CD1 3.78Å; F163-L364 HydrophobicContact CE1-CB 4.33Å; F163-L364 HydrophobicContact CE1-CD1 4.45Å; F163-L364 HydrophobicContact CE2-CD1 3.39Å; F163-L364 HydrophobicContact CG-CD1 4.46Å; F163-L364 HydrophobicContact CZ-CB 4.29Å; F163-L364 HydrophobicContact CZ-CD1 3.78Å; F163-Y367 AromaticContact CE2-CD1 3.84Å; F163-Y367 HydrophobicContact CE2-CD1 3.84Å; F163-Y367 HydrophobicContact CE2-CE1 4.32Å; F163-Y367 HydrophobicContact CE2-CG 4.28Å; F163-Y367 AromaticContact CZ-CD1 3.98Å; F163-Y367 HydrophobicContact CZ-CD1 3.98Å; F163-Y367 AromaticContact CZ-CG 3.95Å; F163-Y367 HydrophobicContact CZ-CG 3.95Å
164P90.1Very high89.1Confident2 Ų243.5 Ų43.51%0.01321%0.206CC..Hα-helixtrans-65.2-37.2-175.7-23.535.7000113.5A42 A167 L168 L360A42-P164 HydrophobicContact CB-CB 3.9Å; A42-P164 HydrophobicContact CB-CG 3.88Å; P164-A167 PolarHBondContact O-N 2.96Å; P164-L168 WeakPolarHBondContact O-CB 3.42Å; P164-L168 PolarHBondContact O-N 3.06Å; P164-L360 HydrophobicContact CG-CD1 4.37Å
165Y90.6Very high89.1Confident92 Ų9238.2 Ų38.236%0.36118%0.178SC..Hα-helixtrans-67.9-39.7176.9-54.5-85.5000111.5L47 Y162 F163 L168 I169L47-Y165 WeakPolarHBondContact CD2-OH 3.34Å; Y162-Y165 HydrophobicContact CD1-CD2 4.5Å; Y162-Y165 PolarHBondContact O-N 2.76Å; F163-Y165 VanDerWaalsContact C-N 3.35Å; F163-Y165 PolarHBondContact O-N 2.83Å; Y165-L168 PolarHBondContact O-N 3.01Å; Y165-I169 WeakPolarHBondContact O-CD1 3.47Å; Y165-I169 VanDerWaalsContact O-CG1 3.28Å; Y165-I169 WeakPolarHBondContact O-CG1 3.42Å; Y165-I169 PolarHBondContact O-N 2.96Å
166L91.7Very high89.2Confident50 Ų5040.4 Ų40.426%0.26219%0.189SC..Hα-helixtrans-66.7-44.1173.9-69167.2000111.4W158 Y162 F163 L168 I169 H170W158-L166 HydrophobicContact CE3-CD1 4.46Å; W158-L166 HydrophobicContact CZ3-CD1 3.74Å; Y162-L166 WeakPolarHBondContact O-CG 3.2Å; Y162-L166 PolarHBondContact O-N 2.92Å; F163-L166 PolarHBondContact O-N 2.89Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 3.16Å; L166-I169 PolarHBondContact O-N 2.97Å; L166-H170 WeakPolarHBondContact O-CB 3.5Å; L166-H170 PolarHBondContact O-CD2 3.17Å; L166-H170 PolarHBondContact O-N 2.77Å
167A90.8Very high89.2Confident0 Ų040.8 Ų40.80%019%0.192CC..Hα-helixtrans-59.1-39.6174.900000112A39 F163 P164 T171 Y367A39-A167 HydrophobicContact CB-CB 3.95Å; F163-A167 HydrophobicContact CE2-CB 4.02Å; F163-A167 HydrophobicContact CZ-CB 4.18Å; F163-A167 WeakPolarHBondContact O-CB 3.39Å; F163-A167 PolarHBondContact O-N 3.3Å; P164-A167 PolarHBondContact O-N 2.96Å; A167-T171 WeakPolarHBondContact O-CB 3.37Å; A167-T171 PolarHBondContact O-N 2.84Å; A167-T171 PolarHBondContact O-OG1 2.88Å; A167-Y367 HydrophobicContact CB-CD2 4.27Å; A167-Y367 HydrophobicContact CB-CE1 4.15Å; A167-Y367 HydrophobicContact CB-CE2 3.8Å; A167-Y367 PolarHBondContact O-OH 3.1Å
168L90.7Very high89.1Confident34 Ų3439.4 Ų39.418%0.17818%0.184CC..Hα-helixtrans-63.3-51.1173.7178.461.6000111.6L36 A39 I40 P164 Y165 L166 H170 T171 I172L36-L168 HydrophobicContact CD1-CD1 3.4Å; L36-L168 VanDerWaalsContact CD1-CD1 3.4Å; A39-L168 HydrophobicContact CB-CB 4.15Å; I40-L168 HydrophobicContact CG1-CD1 4.28Å; P164-L168 WeakPolarHBondContact O-CB 3.42Å; P164-L168 PolarHBondContact O-N 3.06Å; Y165-L168 PolarHBondContact O-N 3.01Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 3.16Å; L168-H170 PolarHBondContact O-N 3.16Å; L168-T171 PolarHBondContact O-N 3.37Å; L168-I172 HydrophobicContact CD1-CD1 3.91Å; L168-I172 HydrophobicContact CD1-CG1 4.32Å; L168-I172 HydrophobicContact CG-CD1 3.98Å; L168-I172 WeakPolarHBondContact O-CG1 3.31Å; L168-I172 PolarHBondContact O-N 3.42Å
169I91.6Very high89Confident90 Ų9033 Ų3346%0.46216%0.16SC..Hα-helixtrans-58.9-46.3178.1-70.1163.9000111.1Y165 L166 T171 I172 I173Y165-I169 WeakPolarHBondContact O-CD1 3.47Å; Y165-I169 VanDerWaalsContact O-CG1 3.28Å; Y165-I169 WeakPolarHBondContact O-CG1 3.42Å; Y165-I169 PolarHBondContact O-N 2.96Å; L166-I169 PolarHBondContact O-N 2.97Å; I169-T171 VanDerWaalsContact C-N 3.34Å; I169-T171 PolarHBondContact O-N 3.27Å; I169-I172 PolarHBondContact O-N 3.42Å; I169-I173 HydrophobicContact CG2-CD1 3.81Å; I169-I173 VanDerWaalsContact O-CG1 3.29Å; I169-I173 WeakPolarHBondContact O-CG1 3.49Å; I169-I173 PolarHBondContact O-N 3.28Å
170H92.4Very high89Confident18 Ų1836 Ų368%0.08317%0.173CC..Hα-helixtrans-61.7-41.1177.1-77.8-58.9000112.3L166 L168 I173 L174 I320 Y323L166-H170 WeakPolarHBondContact O-CB 3.5Å; L166-H170 PolarHBondContact O-CD2 3.17Å; L166-H170 PolarHBondContact O-N 2.77Å; L168-H170 PolarHBondContact O-N 3.16Å; H170-I173 PolarHBondContact O-N 3.14Å; H170-L174 WeakPolarHBondContact O-CG 3.34Å; H170-L174 PolarHBondContact O-N 2.96Å; H170-I320 HydrophobicContact CB-CD1 3.78Å; H170-I320 HydrophobicContact CB-CG1 4.42Å; H170-Y323 PolarHBondContact CD2-OH 2.73Å; H170-Y323 AromaticContact NE2-CE1 3.69Å; H170-Y323 AromaticContact NE2-CZ 3.82Å; H170-Y323 PolarHBondContact NE2-OH 2.99Å
171T90.9Very high89Confident0 Ų035.8 Ų35.80%017%0.172CC..Hα-helixtrans-68.7-40.5179.1-52.10000111.8A32 M35 L36 A167 L168 I169 I173 L174 I175A32-T171 WeakPolarHBondContact O-CG2 3.47Å; M35-T171 HydrophobicContact CB-CG2 3.9Å; M35-T171 HydrophobicContact CE-CG2 4.4Å; L36-T171 HydrophobicContact CB-CG2 3.91Å; A167-T171 WeakPolarHBondContact O-CB 3.37Å; A167-T171 PolarHBondContact O-N 2.84Å; A167-T171 PolarHBondContact O-OG1 2.88Å; L168-T171 PolarHBondContact O-N 3.37Å; I169-T171 VanDerWaalsContact C-N 3.34Å; I169-T171 PolarHBondContact O-N 3.27Å; T171-I173 PolarHBondContact O-N 3.1Å; T171-L174 PolarHBondContact O-N 3.47Å; T171-I175 HydrophobicContact CG2-CD1 4.12Å; T171-I175 WeakPolarHBondContact O-CG1 3.33Å; T171-I175 PolarHBondContact O-N 2.9Å
172I89Confident89Confident53 Ų5335.4 Ų35.427%0.27217%0.17SC..Hα-helixtrans-61.5-44.1173.6-68.3167.9000110.8V7 L10 L168 I169 L174 I175 V176V7-I172 HydrophobicContact CG1-CD1 4.15Å; V7-I172 HydrophobicContact CG1-CG1 3.97Å; L10-I172 HydrophobicContact CD1-CG2 4.34Å; L168-I172 HydrophobicContact CD1-CD1 3.91Å; L168-I172 HydrophobicContact CD1-CG1 4.32Å; L168-I172 HydrophobicContact CG-CD1 3.98Å; L168-I172 WeakPolarHBondContact O-CG1 3.31Å; L168-I172 PolarHBondContact O-N 3.42Å; I169-I172 PolarHBondContact O-N 3.42Å; I172-L174 VanDerWaalsContact C-N 3.31Å; I172-L174 PolarHBondContact O-N 3.46Å; I172-I175 PolarHBondContact O-N 2.94Å; I172-V176 HydrophobicContact CG2-CG2 4.3Å; I172-V176 WeakPolarHBondContact O-CB 3.28Å; I172-V176 WeakPolarHBondContact O-CG2 3.37Å; I172-V176 PolarHBondContact O-N 3.24Å
173I89.8Confident88.8Confident62 Ų6234.7 Ų34.732%0.31817%0.17SC..Hα-helixtrans-59-42.9175.9-71.4166.2000111I169 H170 T171 S177I169-I173 HydrophobicContact CG2-CD1 3.81Å; I169-I173 VanDerWaalsContact O-CG1 3.29Å; I169-I173 WeakPolarHBondContact O-CG1 3.49Å; I169-I173 PolarHBondContact O-N 3.28Å; H170-I173 PolarHBondContact O-N 3.14Å; T171-I173 PolarHBondContact O-N 3.1Å; I173-S177 VanDerWaalsContact O-CB 3.25Å; I173-S177 WeakPolarHBondContact O-CB 3.17Å; I173-S177 PolarHBondContact O-N 3.32Å; I173-S177 PolarHBondContact O-OG 2.96Å
174L90Very high88.7Confident2 Ų238 Ų381%0.0118%0.182CC..Hα-helixtrans-64.4-48.4177.8-70.8172.4000111.8M35 H170 T171 I172 V176 S177 S178 K313 K316 I371 Y374M35-L174 HydrophobicContact CE-CD1 3.8Å; H170-L174 WeakPolarHBondContact O-CG 3.34Å; H170-L174 PolarHBondContact O-N 2.96Å; T171-L174 PolarHBondContact O-N 3.47Å; I172-L174 VanDerWaalsContact C-N 3.31Å; I172-L174 PolarHBondContact O-N 3.46Å; L174-V176 PolarHBondContact O-N 3.07Å; L174-S177 WeakPolarHBondContact CA-OG 3.37Å; L174-S177 PolarHBondContact O-N 2.94Å; L174-S177 PolarHBondContact O-OG 2.96Å; L174-S178 PolarHBondContact O-N 2.62Å; L174-K313 HydrophobicContact CD2-CB 4.45Å; L174-K313 HydrophobicContact CD2-CG 4.41Å; L174-K316 HydrophobicContact CD2-CB 4.31Å; L174-I371 HydrophobicContact CD1-CD1 4.45Å; L174-Y374 HydrophobicContact CD1-CD1 4.44Å; L174-Y374 HydrophobicContact CD1-CE1 4.12Å; L174-Y374 HydrophobicContact CD2-CE1 3.77Å; L174-Y374 HydrophobicContact CG-CE1 4.42Å
175I87.9Confident88.6Confident2 Ų242.6 Ų42.61%0.0121%0.212CC..Hα-helixtrans-57.8-48.8177.1-68.1168.3000111.3L10 N11 A32 L36 T171 I172 S177 S178 N179L10-I175 HydrophobicContact CB-CG2 4.44Å; N11-I175 HydrophobicContact CB-CG2 3.82Å; A32-I175 HydrophobicContact CB-CD1 4.26Å; A32-I175 HydrophobicContact CB-CG1 3.7Å; L36-I175 HydrophobicContact CD2-CD1 4.38Å; T171-I175 HydrophobicContact CG2-CD1 4.12Å; T171-I175 WeakPolarHBondContact O-CG1 3.33Å; T171-I175 PolarHBondContact O-N 2.9Å; I172-I175 PolarHBondContact O-N 2.94Å; I175-S177 VanDerWaalsContact C-N 3.31Å; I175-S177 PolarHBondContact O-N 2.87Å; I175-S178 PolarHBondContact O-N 3.07Å; I175-N179 PolarHBondContact O-N 2.81Å; I175-N179 PolarHBondContact O-ND2 3.12Å
176V86.5Confident88.4Confident72 Ų7244.9 Ų44.944%0.43622%0.224SC..Hα-helixtrans-63.7-38.3178.7173.90000110.9I172 L174 S178 N179 F180I172-V176 HydrophobicContact CG2-CG2 4.3Å; I172-V176 WeakPolarHBondContact O-CB 3.28Å; I172-V176 WeakPolarHBondContact O-CG2 3.37Å; I172-V176 PolarHBondContact O-N 3.24Å; L174-V176 PolarHBondContact O-N 3.07Å; V176-S178 VanDerWaalsContact C-N 3.34Å; V176-S178 PolarHBondContact O-N 3.3Å; V176-N179 PolarHBondContact O-N 3.08Å; V176-F180 PolarHBondContact O-N 2.94Å; V176-F180 VanDerWaalsContact O-N 3.08Å
177S87.4Confident88.3Confident18 Ų1842.5 Ų42.513%0.12621%0.212CC..Hα-helixtrans-69.9-23.5176.576.20000114.5I173 L174 I175 Q309 K313I173-S177 VanDerWaalsContact O-CB 3.25Å; I173-S177 WeakPolarHBondContact O-CB 3.17Å; I173-S177 PolarHBondContact O-N 3.32Å; I173-S177 PolarHBondContact O-OG 2.96Å; L174-S177 WeakPolarHBondContact CA-OG 3.37Å; L174-S177 PolarHBondContact O-N 2.94Å; L174-S177 PolarHBondContact O-OG 2.96Å; I175-S177 VanDerWaalsContact C-N 3.31Å; I175-S177 PolarHBondContact O-N 2.87Å; S177-Q309 PolarHBondContact O-OE1 3.26Å; S177-K313 WeakPolarHBondContact OG-CG 3.2Å
178S84.7Confident88.2Confident4 Ų443.9 Ų43.93%0.02822%0.221CC..Hα-helixtrans-70.6-38.7170.7-77.50000112.5L174 I175 V176 K313L174-S178 PolarHBondContact O-N 2.62Å; I175-S178 PolarHBondContact O-N 3.07Å; V176-S178 VanDerWaalsContact C-N 3.34Å; V176-S178 PolarHBondContact O-N 3.3Å; S178-K313 VanDerWaalsContact CA-CE 3.49Å; S178-K313 WeakPolarHBondContact OG-CE 3.17Å; S178-K313 PolarHBondContact OG-NZ 3.22Å
179N84.9Confident88.1Confident3 Ų346 Ų462%0.01624%0.238CC..Hα-helixtrans-104.72-166.2-59.9-36.2000113.5N11 I13 K21 I175 V176 W181 F182 K183N11-N179 PolarHBondContact OD1-ND2 2.79Å; I13-N179 HydrophobicContact CD1-CB 4.23Å; I13-N179 WeakPolarHBondContact CD1-OD1 3.08Å; K21-N179 PolarHBondContact NZ-OD1 2.95Å; I175-N179 PolarHBondContact O-N 2.81Å; I175-N179 PolarHBondContact O-ND2 3.12Å; V176-N179 PolarHBondContact O-N 3.08Å; N179-W181 PolarHBondContact O-N 3.16Å; N179-F182 PolarHBondContact O-N 2.56Å; N179-K183 PolarHBondContact O-N 2.64Å
180F86.9Confident88.1Confident96 Ų9643.2 Ų43.242%0.42122%0.223SC..Hα-helixtrans-59.3-46.1-179.1-174.7-94.6000112.6V176 F182 K183 Y184 L305V176-F180 PolarHBondContact O-N 2.94Å; V176-F180 VanDerWaalsContact O-N 3.08Å; F180-F182 VanDerWaalsContact C-N 3.29Å; F180-F182 PolarHBondContact O-N 2.88Å; F180-K183 PolarHBondContact O-N 2.89Å; F180-Y184 HydrophobicContact CE1-CD2 4.13Å; F180-Y184 AromaticContact CE1-CG 4Å; F180-Y184 HydrophobicContact CE1-CG 4Å; F180-Y184 AromaticContact CZ-CD2 3.87Å; F180-Y184 HydrophobicContact CZ-CD2 3.87Å; F180-Y184 HydrophobicContact CZ-CG 4.19Å; F180-Y184 WeakPolarHBondContact O-CB 3.17Å; F180-Y184 PolarHBondContact O-N 2.98Å; F180-L305 HydrophobicContact CD1-CD1 3.89Å; F180-L305 HydrophobicContact CD1-CD2 3.98Å; F180-L305 HydrophobicContact CD1-CG 4.27Å; F180-L305 HydrophobicContact CE1-CD1 3.88Å; F180-L305 HydrophobicContact CE1-CD2 4.05Å
181W87.3Confident88Confident1 Ų142.4 Ų42.40%0.00422%0.219CC..Hα-helixtrans-65.1-28.3-177.576.2-70.1000114.4L20 N179 T187 I191 I302 L305 Y306 L417 M420L20-W181 HydrophobicContact CB-CH2 4.37Å; N179-W181 PolarHBondContact O-N 3.16Å; W181-T187 PolarHBondContact O-OG1 3.41Å; W181-I191 HydrophobicContact CD2-CD1 4.44Å; W181-I191 HydrophobicContact CE3-CD1 3.51Å; W181-I191 HydrophobicContact CZ3-CD1 3.66Å; W181-I191 HydrophobicContact CZ3-CG1 4.25Å; W181-I302 HydrophobicContact CE3-CG2 3.77Å; W181-I302 HydrophobicContact CZ3-CG2 3.73Å; W181-L305 HydrophobicContact CB-CD2 3.82Å; W181-L305 HydrophobicContact CB-CG 4.04Å; W181-Y306 HydrophobicContact CD2-CD2 4.26Å; W181-Y306 AromaticContact CE2-CD2 3.92Å; W181-Y306 HydrophobicContact CZ2-CD2 4.08Å; W181-Y306 HydrophobicContact CZ2-CE2 4.12Å; W181-L417 HydrophobicContact CZ3-CD2 4.48Å; W181-M420 HydrophobicContact CH2-CE 4.49Å; W181-M420 HydrophobicContact CZ2-CE 4.4Å
182F86.1Confident88Confident6 Ų647.3 Ų47.33%0.02624%0.242CC..Hα-helixtrans-74.7-32.2171-71.9-68.5000113.1I13 Y17 L20 K21 N179 F180 C188 I191I13-F182 HydrophobicContact CD1-CD2 4.45Å; Y17-F182 AromaticContact CD2-CD1 3.94Å; Y17-F182 HydrophobicContact CD2-CD1 3.94Å; Y17-F182 HydrophobicContact CD2-CE1 4.48Å; Y17-F182 HydrophobicContact CG-CD1 4.11Å; Y17-F182 HydrophobicContact CG-CE1 4.21Å; L20-F182 HydrophobicContact CB-CE1 4.15Å; L20-F182 HydrophobicContact CB-CZ 4.17Å; K21-F182 HydrophobicContact CD-CE2 4.49Å; K21-F182 HydrophobicContact CG-CE2 4.15Å; K21-F182 HydrophobicContact CG-CZ 4.1Å; N179-F182 PolarHBondContact O-N 2.56Å; F180-F182 VanDerWaalsContact C-N 3.29Å; F180-F182 PolarHBondContact O-N 2.88Å; F182-C188 WeakPolarHBondContact O-CB 3.03Å; F182-C188 PolarHBondContact O-SG 2.92Å; F182-I191 HydrophobicContact CD1-CD1 4.5Å; F182-I191 HydrophobicContact CD1-CG2 4.22Å; F182-I191 HydrophobicContact CE1-CG2 4.31Å
183K85.1Confident88.1Confident112 Ų11249.2 Ų49.249%0.48725%0.25SC..Hα-helixtrans-96.8-11.5-174.4-64.9-178.7-179.8179.70113.5L10 D12 N179 F180L10-K183 PolarHBondContact O-NZ 3.19Å; L10-K183 VanDerWaalsContact O-NZ 3.1Å; D12-K183 PolarHBondContact O-NZ 3.22Å; N179-K183 PolarHBondContact O-N 2.64Å; F180-K183 PolarHBondContact O-N 2.89Å
184Y89Confident88.2Confident81 Ų8146.3 Ų46.332%0.31824%0.235SC..SBendtrans-78.6123.2178.4-178.5-117.3000112.1F180 K186 T187 C188 L305F180-Y184 HydrophobicContact CE1-CD2 4.13Å; F180-Y184 AromaticContact CE1-CG 4Å; F180-Y184 HydrophobicContact CE1-CG 4Å; F180-Y184 AromaticContact CZ-CD2 3.87Å; F180-Y184 HydrophobicContact CZ-CD2 3.87Å; F180-Y184 HydrophobicContact CZ-CG 4.19Å; F180-Y184 WeakPolarHBondContact O-CB 3.17Å; F180-Y184 PolarHBondContact O-N 2.98Å; Y184-K186 HydrophobicContact CD1-CB 4.27Å; Y184-K186 HydrophobicContact CE1-CB 3.8Å; Y184-K186 HydrophobicContact CE1-CD 4.44Å; Y184-K186 HydrophobicContact CE1-CG 4.29Å; Y184-K186 PolarHBondContact O-N 2.73Å; Y184-K186 VanDerWaalsContact O-N 3.17Å; Y184-T187 HydrophobicContact CD1-CG2 4.25Å; Y184-T187 PolarHBondContact O-N 3.27Å; Y184-T187 VanDerWaalsContact O-N 3.15Å; Y184-T187 PolarHBondContact O-OG1 2.81Å; Y184-T187 VanDerWaalsContact O-OG1 3.06Å; Y184-C188 VanDerWaalsContact O-CB 3.25Å; Y184-C188 WeakPolarHBondContact O-CB 3.23Å; Y184-C188 PolarHBondContact O-N 3.49Å; Y184-L305 HydrophobicContact CD1-CD2 3.99Å; Y184-L305 HydrophobicContact CG-CD2 4.5Å
185P87.4Confident88.3Confident98 Ų9846.8 Ų46.864%0.63624%0.238SC*.Hα-helixtrans-57.6-38.4-166.3-30.536.1000116.3T187 S189P185-T187 VanDerWaalsContact C-N 3.3Å; P185-T187 PolarHBondContact O-N 3.28Å; P185-S189 PolarHBondContact O-N 3.01Å
186K86.5Confident88.5Confident141 Ų14150.2 Ų50.261%0.61326%0.262SS*.Hα-helixtrans-71-22.4-176.7-64.7-172.5177.5-176.40113.8Y184 L301Y184-K186 HydrophobicContact CD1-CB 4.27Å; Y184-K186 HydrophobicContact CE1-CB 3.8Å; Y184-K186 HydrophobicContact CE1-CD 4.44Å; Y184-K186 HydrophobicContact CE1-CG 4.29Å; Y184-K186 PolarHBondContact O-N 2.73Å; Y184-K186 VanDerWaalsContact O-N 3.17Å; K186-L301 HydrophobicContact CB-CD2 3.78Å
187T90.1Very high88.7Confident0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-98.6-41.9174.848.20000110.9W181 Y184 P185 S189 K190 I191 L301 I302 L305W181-T187 PolarHBondContact O-OG1 3.41Å; Y184-T187 HydrophobicContact CD1-CG2 4.25Å; Y184-T187 PolarHBondContact O-N 3.27Å; Y184-T187 VanDerWaalsContact O-N 3.15Å; Y184-T187 PolarHBondContact O-OG1 2.81Å; Y184-T187 VanDerWaalsContact O-OG1 3.06Å; P185-T187 VanDerWaalsContact C-N 3.3Å; P185-T187 PolarHBondContact O-N 3.28Å; T187-S189 PolarHBondContact O-N 2.8Å; T187-K190 PolarHBondContact O-N 2.76Å; T187-K190 VanDerWaalsContact O-N 3.07Å; T187-I191 WeakPolarHBondContact O-CG1 3.28Å; T187-I191 PolarHBondContact O-N 3.22Å; T187-L301 HydrophobicContact CG2-CD2 4.05Å; T187-L301 HydrophobicContact CG2-CG 3.89Å; T187-I302 HydrophobicContact CG2-CG1 3.89Å; T187-L305 HydrophobicContact CG2-CD2 3.95Å
188C88.8Confident88.9Confident29 Ų2946.3 Ų46.320%0.19624%0.237CC..Hα-helixtrans-50.2-50.1178-175.80000112.6F182 Y184 K190 I191 E192F182-C188 WeakPolarHBondContact O-CB 3.03Å; F182-C188 PolarHBondContact O-SG 2.92Å; Y184-C188 VanDerWaalsContact O-CB 3.25Å; Y184-C188 WeakPolarHBondContact O-CB 3.23Å; Y184-C188 PolarHBondContact O-N 3.49Å; C188-K190 VanDerWaalsContact C-N 3.28Å; C188-K190 PolarHBondContact O-N 2.82Å; C188-I191 PolarHBondContact O-N 3.44Å; C188-I191 VanDerWaalsContact O-N 3.1Å; C188-E192 WeakPolarHBondContact O-CB 3.36Å; C188-E192 PolarHBondContact O-N 2.92Å
189S89Confident89.2Confident78 Ų7847.1 Ų47.155%0.54525%0.247SC..Hα-helixtrans-60.2-33.9-179.7177.10000113.8P185 T187 H193P185-S189 PolarHBondContact O-N 3.01Å; T187-S189 PolarHBondContact O-N 2.8Å; S189-H193 WeakPolarHBondContact O-CB 3.4Å; S189-H193 PolarHBondContact O-N 3.46Å
190K90.4Very high89.5Confident31 Ų3152.1 Ų52.114%0.13527%0.268CS..Hα-helixtrans-75.9-37.9175.6-66.1-166174.6-157.30111.9T187 C188 F194 H295 V296 S299 I302T187-K190 PolarHBondContact O-N 2.76Å; T187-K190 VanDerWaalsContact O-N 3.07Å; C188-K190 VanDerWaalsContact C-N 3.28Å; C188-K190 PolarHBondContact O-N 2.82Å; K190-F194 WeakPolarHBondContact O-CB 3.31Å; K190-F194 PolarHBondContact O-N 3.22Å; K190-H295 WeakPolarHBondContact CE-NE2 3.36Å; K190-H295 PolarHBondContact NZ-O 2.87Å; K190-V296 HydrophobicContact CD-CG2 4.09Å; K190-S299 PolarHBondContact NZ-OG 3.08Å; K190-I302 HydrophobicContact CB-CD1 4.03Å
191I90.8Very high89.7Confident1 Ų147.6 Ų47.61%0.00525%0.248CC..Hα-helixtrans-65.3-47.3177.1-69.2162.5000111Y17 L20 W181 F182 T187 C188 F194 V195 I302 L417Y17-I191 HydrophobicContact CD1-CG2 4.25Å; Y17-I191 HydrophobicContact CE1-CG2 4.18Å; L20-I191 HydrophobicContact CD1-CG2 3.63Å; W181-I191 HydrophobicContact CD2-CD1 4.44Å; W181-I191 HydrophobicContact CE3-CD1 3.51Å; W181-I191 HydrophobicContact CZ3-CD1 3.66Å; W181-I191 HydrophobicContact CZ3-CG1 4.25Å; F182-I191 HydrophobicContact CD1-CD1 4.5Å; F182-I191 HydrophobicContact CD1-CG2 4.22Å; F182-I191 HydrophobicContact CE1-CG2 4.31Å; T187-I191 WeakPolarHBondContact O-CG1 3.28Å; T187-I191 PolarHBondContact O-N 3.22Å; C188-I191 PolarHBondContact O-N 3.44Å; C188-I191 VanDerWaalsContact O-N 3.1Å; I191-F194 PolarHBondContact O-N 3Å; I191-V195 WeakPolarHBondContact O-CG2 3.4Å; I191-V195 PolarHBondContact O-N 3.27Å; I191-I302 HydrophobicContact CG1-CD1 4.26Å; I191-L417 HydrophobicContact CG1-CD2 4.39Å
192E90.2Very high89.7Confident104 Ų10450.4 Ų50.449%0.48626%0.261SS..Hα-helixtrans-60.5-46.2177.6-174.3177.6-162.200111.3C188 V195 S196C188-E192 WeakPolarHBondContact O-CB 3.36Å; C188-E192 PolarHBondContact O-N 2.92Å; E192-V195 PolarHBondContact O-N 2.99Å; E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 3.32Å; E192-S196 PolarHBondContact O-N 3.07Å
193H90.6Very high89.9Confident93 Ų9356 Ų5643%0.43129%0.287SS..Hα-helixtrans-66.8-38.7178.1-157.7107.6000112.3S189 S196 I197 F292S189-H193 WeakPolarHBondContact O-CB 3.4Å; S189-H193 PolarHBondContact O-N 3.46Å; H193-S196 PolarHBondContact O-N 2.95Å; H193-I197 WeakPolarHBondContact O-CG1 3.22Å; H193-I197 PolarHBondContact O-N 2.88Å; H193-F292 HydrophobicContact CB-CD2 4.29Å; H193-F292 HydrophobicContact CB-CE2 3.86Å; H193-F292 AromaticContact CD2-CD2 3.23Å; H193-F292 WeakPolarHBondContact CD2-CD2 3.36Å; H193-F292 AromaticContact CD2-CE2 3.69Å; H193-F292 AromaticContact CD2-CG 3.95Å; H193-F292 AromaticContact CG-CD2 3.94Å; H193-F292 AromaticContact NE2-CD2 3.98Å
194F92.6Very high90Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-60.3-52.5173.2177.5-117.5000111.7L20 K190 I191 S196 I197 L198 F292 F414 L417 L418 V421L20-F194 HydrophobicContact CD1-CD1 4.39Å; L20-F194 HydrophobicContact CD2-CD1 4.47Å; L20-F194 HydrophobicContact CD2-CE1 4.13Å; K190-F194 WeakPolarHBondContact O-CB 3.31Å; K190-F194 PolarHBondContact O-N 3.22Å; I191-F194 PolarHBondContact O-N 3Å; F194-S196 VanDerWaalsContact C-N 3.28Å; F194-S196 PolarHBondContact O-N 3.15Å; F194-I197 PolarHBondContact O-N 3.16Å; F194-L198 HydrophobicContact CE1-CD2 4.04Å; F194-L198 HydrophobicContact CZ-CD2 4.13Å; F194-L198 WeakPolarHBondContact O-CB 3.5Å; F194-L198 PolarHBondContact O-N 3.23Å; F194-F292 HydrophobicContact CB-CE1 4.01Å; F194-F292 HydrophobicContact CB-CZ 3.68Å; F194-F292 AromaticContact CD2-CE1 3.84Å; F194-F292 HydrophobicContact CD2-CE1 3.84Å; F194-F292 HydrophobicContact CD2-CZ 4.38Å; F194-F292 HydrophobicContact CG-CE1 4.39Å; F194-F414 HydrophobicContact CD2-CE2 4.46Å; F194-F414 HydrophobicContact CE2-CE2 4.41Å; F194-L417 HydrophobicContact CB-CD1 4.15Å; F194-L417 HydrophobicContact CD1-CB 4.06Å; F194-L417 HydrophobicContact CD1-CD1 4.07Å; F194-L417 HydrophobicContact CD1-CD2 4.27Å; F194-L417 HydrophobicContact CD1-CG 4.37Å; F194-L417 HydrophobicContact CE1-CB 3.79Å; F194-L417 HydrophobicContact CE2-CB 4.46Å; F194-L417 HydrophobicContact CG-CD1 4Å; F194-L417 HydrophobicContact CZ-CB 3.99Å; F194-L418 HydrophobicContact CE2-CD2 4.48Å; F194-L418 HydrophobicContact CZ-CD2 4.26Å; F194-L418 HydrophobicContact CZ-CG 4.44Å; F194-V421 HydrophobicContact CE1-CG2 3.63Å; F194-V421 HydrophobicContact CZ-CG2 3.97Å
195V91.9Very high90Very high13 Ų1350.4 Ų50.48%0.07927%0.272CS..Hα-helixtrans-63.4-35.7-179.8172.60000111.3Y17 L20 I191 E192 G199Y17-V195 HydrophobicContact CD1-CG2 4.31Å; L20-V195 HydrophobicContact CD1-CG2 3.66Å; L20-V195 HydrophobicContact CG-CG2 4.36Å; I191-V195 WeakPolarHBondContact O-CG2 3.4Å; I191-V195 PolarHBondContact O-N 3.27Å; E192-V195 PolarHBondContact O-N 2.99Å; V195-G199 PolarHBondContact O-N 3.04Å
196S91.4Very high90Very high74 Ų7445.8 Ų45.852%0.51724%0.242SC..Hα-helixtrans-63.8-47.4174.6-169.40000112.5E192 H193 F194 K200E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 3.32Å; E192-S196 PolarHBondContact O-N 3.07Å; H193-S196 PolarHBondContact O-N 2.95Å; F194-S196 VanDerWaalsContact C-N 3.28Å; F194-S196 PolarHBondContact O-N 3.15Å; S196-K200 WeakPolarHBondContact O-CG 3.49Å; S196-K200 PolarHBondContact O-N 3.15Å
197I92.2Very high89.9Confident6 Ų639 Ų393%0.03121%0.213CC..Hα-helixtrans-64.5-48.4174.6-69.4-178.9000110.3H193 F194 G199 K200 C201 L285 K288 V289 F292 F432H193-I197 WeakPolarHBondContact O-CG1 3.22Å; H193-I197 PolarHBondContact O-N 2.88Å; F194-I197 PolarHBondContact O-N 3.16Å; I197-G199 VanDerWaalsContact C-N 3.32Å; I197-G199 PolarHBondContact O-N 3.05Å; I197-K200 CarbonylContact O-C 3.34Å; I197-K200 WeakPolarHBondContact O-CA 3.42Å; I197-K200 PolarHBondContact O-N 2.99Å; I197-C201 PolarHBondContact O-N 2.98Å; I197-C201 PolarHBondContact O-SG 2.99Å; I197-C201 VanDerWaalsContact O-SG 3.36Å; I197-L285 HydrophobicContact CG2-CD1 4.17Å; I197-K288 HydrophobicContact CD1-CB 4.27Å; I197-V289 HydrophobicContact CG2-CG2 3.6Å; I197-F292 HydrophobicContact CD1-CB 3.49Å; I197-F292 VanDerWaalsContact CD1-CB 3.49Å; I197-F292 HydrophobicContact CD1-CD1 4.14Å; I197-F292 HydrophobicContact CD1-CD2 4.27Å; I197-F292 HydrophobicContact CD1-CG 3.7Å; I197-F432 HydrophobicContact CG2-CE2 3.85Å
198L91.8Very high89.7Confident1 Ų142.3 Ų42.31%0.00523%0.233CC..Hα-helixtrans-58.1-43-177-17465.4000112I19 F194 C201 F202 V421 Y428 F432I19-L198 HydrophobicContact CG2-CD2 4.19Å; F194-L198 HydrophobicContact CE1-CD2 4.04Å; F194-L198 HydrophobicContact CZ-CD2 4.13Å; F194-L198 WeakPolarHBondContact O-CB 3.5Å; F194-L198 PolarHBondContact O-N 3.23Å; L198-C201 PolarHBondContact O-N 3.43Å; L198-F202 WeakPolarHBondContact O-CB 3.47Å; L198-F202 PolarHBondContact O-N 3.23Å; L198-V421 HydrophobicContact CD2-CG1 4.04Å; L198-V421 HydrophobicContact CD2-CG2 3.79Å; L198-Y428 HydrophobicContact CD1-CD1 4.06Å; L198-Y428 HydrophobicContact CD2-CD1 4.09Å; L198-Y428 HydrophobicContact CG-CD1 3.78Å; L198-Y428 HydrophobicContact CG-CE1 4.47Å; L198-F432 HydrophobicContact CD1-CB 4.25Å; L198-F432 HydrophobicContact CD1-CD2 3.73Å; L198-F432 HydrophobicContact CD1-CG 4.36Å
199G89.9Confident89.5Confident22 Ų2242 Ų4223%0.22723%0.228CC..Hα-helixtrans-60.7-44.4172.500000112.5V195 I197 F202 E203V195-G199 PolarHBondContact O-N 3.04Å; I197-G199 VanDerWaalsContact C-N 3.32Å; I197-G199 PolarHBondContact O-N 3.05Å; G199-F202 PolarHBondContact O-N 3.3Å; G199-E203 WeakPolarHBondContact O-CB 3.49Å; G199-E203 WeakPolarHBondContact O-CG 3.43Å; G199-E203 PolarHBondContact O-N 2.83Å
200K91.9Very high89.1Confident107 Ų10738.3 Ų38.347%0.46520%0.203SC..Hα-helixtrans-70.1-30.2177.4-64.7-66.1158.9-152.90113.5S196 I197 E203 S204 L285S196-K200 WeakPolarHBondContact O-CG 3.49Å; S196-K200 PolarHBondContact O-N 3.15Å; I197-K200 CarbonylContact O-C 3.34Å; I197-K200 WeakPolarHBondContact O-CA 3.42Å; I197-K200 PolarHBondContact O-N 2.99Å; K200-E203 WeakPolarHBondContact CD-OE2 3.29Å; K200-E203 VanDerWaalsContact NZ-CD 3.26Å; K200-E203 IonicContact NZ-OE1 2.79Å; K200-E203 PolarHBondContact NZ-OE1 3.46Å; K200-E203 VanDerWaalsContact NZ-OE1 3.12Å; K200-E203 IonicContact NZ-OE2 3.36Å; K200-E203 PolarHBondContact NZ-OE2 2.91Å; K200-S204 WeakPolarHBondContact O-CB 3.49Å; K200-S204 PolarHBondContact O-N 2.93Å; K200-L285 HydrophobicContact CB-CD1 4.19Å; K200-L285 HydrophobicContact CB-CD2 4.19Å; K200-L285 WeakPolarHBondContact O-CD2 3.27Å
201C90.4Very high88.6Confident1 Ų139.1 Ų39.11%0.00721%0.208CC..Hα-helixtrans-65.9-43.1169.8-68.30000110.9I197 L198 S204 T207 L285 F432 F435I197-C201 PolarHBondContact O-N 2.98Å; I197-C201 PolarHBondContact O-SG 2.99Å; I197-C201 VanDerWaalsContact O-SG 3.36Å; L198-C201 PolarHBondContact O-N 3.43Å; C201-S204 PolarHBondContact O-N 2.98Å; C201-T207 WeakPolarHBondContact O-CG2 3.47Å; C201-L285 HydrophobicContact CB-CD2 4.47Å; C201-F432 HydrophobicContact CB-CD2 4.33Å; C201-F435 HydrophobicContact CB-CD2 3.78Å; C201-F435 HydrophobicContact CB-CE2 3.92Å; C201-F435 VanDerWaalsContact SG-CD2 3.52Å
202F88.5Confident88Confident61 Ų6141.9 Ų41.927%0.26823%0.227SC..Hα-helixtrans-67.9-40.5178.8-169.9-85.8000112.9L198 G199 S204 L427 Y428 R431L198-F202 WeakPolarHBondContact O-CB 3.47Å; L198-F202 PolarHBondContact O-N 3.23Å; G199-F202 PolarHBondContact O-N 3.3Å; F202-S204 VanDerWaalsContact C-N 3.31Å; F202-S204 PolarHBondContact O-N 2.97Å; F202-L427 HydrophobicContact CE2-CD2 3.84Å; F202-L427 HydrophobicContact CE2-CG 3.97Å; F202-L427 HydrophobicContact CZ-CD2 4.15Å; F202-Y428 HydrophobicContact CB-CD1 4.09Å; F202-Y428 HydrophobicContact CB-CE1 3.79Å; F202-Y428 HydrophobicContact CD1-CE1 4.48Å; F202-Y428 AromaticContact CD2-CD1 3.61Å; F202-Y428 HydrophobicContact CD2-CD1 3.61Å; F202-Y428 HydrophobicContact CD2-CD2 4.41Å; F202-Y428 AromaticContact CD2-CE1 3.45Å; F202-Y428 HydrophobicContact CD2-CE1 3.45Å; F202-Y428 VanDerWaalsContact CD2-CE1 3.45Å; F202-Y428 HydrophobicContact CD2-CE2 4.25Å; F202-Y428 HydrophobicContact CD2-CG 4.11Å; F202-Y428 AromaticContact CD2-CZ 3.79Å; F202-Y428 HydrophobicContact CE2-CD1 4.41Å; F202-Y428 HydrophobicContact CE2-CD2 4.45Å; F202-Y428 HydrophobicContact CE2-CE1 4.13Å; F202-Y428 HydrophobicContact CE2-CE2 4.15Å; F202-Y428 AromaticContact CE2-CZ 3.99Å; F202-Y428 HydrophobicContact CG-CD1 4.13Å; F202-Y428 AromaticContact CG-CE1 3.65Å; F202-Y428 HydrophobicContact CG-CE1 3.65Å; F202-R431 PolarHBondContact O-NH1 2.96Å
203E88.8Confident87.1Confident124 Ų12439.7 Ų39.758%0.57922%0.217SC*.Hα-helixtrans-68.5-23.8176-74174-162.300113.7G199 K200 P205G199-E203 WeakPolarHBondContact O-CB 3.49Å; G199-E203 WeakPolarHBondContact O-CG 3.43Å; G199-E203 PolarHBondContact O-N 2.83Å; K200-E203 WeakPolarHBondContact CD-OE2 3.29Å; K200-E203 VanDerWaalsContact NZ-CD 3.26Å; K200-E203 IonicContact NZ-OE1 2.79Å; K200-E203 PolarHBondContact NZ-OE1 3.46Å; K200-E203 VanDerWaalsContact NZ-OE1 3.12Å; K200-E203 IonicContact NZ-OE2 3.36Å; K200-E203 PolarHBondContact NZ-OE2 2.91Å; E203-P205 WeakPolarHBondContact O-CD 3.32Å
204S88.8Confident86Confident11 Ų1135.4 Ų35.48%0.07720%0.197CC..  trans-69.7121.6-170.3-174.40000112.9K200 C201 F202 W206 T207K200-S204 WeakPolarHBondContact O-CB 3.49Å; K200-S204 PolarHBondContact O-N 2.93Å; C201-S204 PolarHBondContact O-N 2.98Å; F202-S204 VanDerWaalsContact C-N 3.31Å; F202-S204 PolarHBondContact O-N 2.97Å; S204-W206 PolarHBondContact O-N 3.37Å; S204-W206 VanDerWaalsContact O-N 3.16Å; S204-T207 PolarHBondContact O-N 3.12Å; S204-T207 PolarHBondContact O-OG1 3.33Å
205P87.6Confident84.5Confident63 Ų6338.2 Ų38.241%0.40922%0.221SC..Hα-helixtrans-58.5-28.4176.7-26.336.2000113.7E203 T207 T208 K209 L274E203-P205 WeakPolarHBondContact O-CD 3.32Å; P205-T207 VanDerWaalsContact C-N 3.29Å; P205-T207 PolarHBondContact O-N 3.07Å; P205-T208 PolarHBondContact O-N 3.27Å; P205-T208 VanDerWaalsContact O-N 3.08Å; P205-K209 PolarHBondContact O-N 2.77Å; P205-L274 HydrophobicContact CB-CD1 4.35Å
206W87.3Confident82.9Confident1 Ų141.5 Ų41.50%0.00424%0.244CC..Hα-helixtrans-52.5-44.7177.1175.6-113.5000112.5S204 T208 K209 A210 L274 A282 F286 F435 S440 K443 L444 I447S204-W206 PolarHBondContact O-N 3.37Å; S204-W206 VanDerWaalsContact O-N 3.16Å; W206-T208 VanDerWaalsContact C-N 3.27Å; W206-T208 PolarHBondContact O-N 2.72Å; W206-K209 PolarHBondContact O-N 2.92Å; W206-A210 HydrophobicContact CZ2-CB 4.25Å; W206-A210 WeakPolarHBondContact O-CB 3.38Å; W206-A210 PolarHBondContact O-N 3.04Å; W206-L274 HydrophobicContact CE3-CD2 3.83Å; W206-L274 HydrophobicContact CZ3-CD2 4.36Å; W206-A282 HydrophobicContact CB-CB 3.87Å; W206-A282 HydrophobicContact CG-CB 4.1Å; W206-F286 AromaticContact NE1-CE2 3.79Å; W206-F286 AromaticContact NE1-CZ 3.9Å; W206-F435 AromaticContact CD1-CE1 3.9Å; W206-S440 WeakPolarHBondContact CZ2-O 3.31Å; W206-S440 PolarHBondContact NE1-OG 3.44Å; W206-K443 HydrophobicContact CH2-CB 4.24Å; W206-K443 HydrophobicContact CZ2-CB 4.41Å; W206-L444 HydrophobicContact CD2-CB 4.45Å; W206-L444 HydrophobicContact CD2-CD1 4.01Å; W206-L444 HydrophobicContact CE3-CD1 3.85Å; W206-L444 HydrophobicContact CH2-CB 3.95Å; W206-L444 HydrophobicContact CH2-CD1 4.41Å; W206-L444 HydrophobicContact CZ2-CB 3.66Å; W206-L444 HydrophobicContact CZ3-CB 4.45Å; W206-L444 HydrophobicContact CZ3-CD1 4.06Å; W206-I447 HydrophobicContact CH2-CD1 3.96Å; W206-I447 HydrophobicContact CZ3-CD1 3.83Å
207T85.9Confident81.4Confident0 Ų041.4 Ų41.40%024%0.235CC..Hα-helixtrans-61.1-37.5-179.861.50000112.4C201 S204 P205 L211 R431 F435C201-T207 WeakPolarHBondContact O-CG2 3.47Å; S204-T207 PolarHBondContact O-N 3.12Å; S204-T207 PolarHBondContact O-OG1 3.33Å; P205-T207 VanDerWaalsContact C-N 3.29Å; P205-T207 PolarHBondContact O-N 3.07Å; T207-L211 WeakPolarHBondContact O-CB 3.37Å; T207-L211 WeakPolarHBondContact O-CD1 3.35Å; T207-L211 VanDerWaalsContact O-CG 3.22Å; T207-L211 WeakPolarHBondContact O-CG 3.16Å; T207-L211 PolarHBondContact O-N 2.66Å; T207-L211 VanDerWaalsContact O-N 3.09Å; T207-R431 HydrophobicContact CG2-CB 4.31Å; T207-F435 HydrophobicContact CG2-CD2 3.85Å; T207-F435 HydrophobicContact CG2-CE2 3.22Å; T207-F435 HydrophobicContact CG2-CZ 3.94Å
208T85.3Confident79.6Confident69 Ų6944.8 Ų44.842%0.42325%0.253SS..Hα-helixtrans-73-39.7-179.4-560000110.2P205 W206 S212 R431P205-T208 PolarHBondContact O-N 3.27Å; P205-T208 VanDerWaalsContact O-N 3.08Å; W206-T208 VanDerWaalsContact C-N 3.27Å; W206-T208 PolarHBondContact O-N 2.72Å; T208-S212 VanDerWaalsContact O-CB 3.31Å; T208-S212 WeakPolarHBondContact O-CB 3.28Å; T208-S212 PolarHBondContact O-N 3.44Å; T208-S212 PolarHBondContact O-OG 3.05Å; T208-R431 PolarHBondContact OG1-NH2 2.88Å
209K83.3Confident78Confident21 Ų2147.6 Ų47.69%0.09127%0.273CS..Hα-helixtrans-62.1-55.2172.8-177.5163.4-173.31580111.7P205 W206 L211 S212 E213 S270 T272P205-K209 PolarHBondContact O-N 2.77Å; W206-K209 PolarHBondContact O-N 2.92Å; K209-L211 PolarHBondContact O-N 3.34Å; K209-S212 PolarHBondContact O-N 3.15Å; K209-S212 PolarHBondContact O-OG 3.14Å; K209-E213 WeakPolarHBondContact O-CB 3.04Å; K209-E213 PolarHBondContact O-N 2.9Å; K209-S270 PolarHBondContact NZ-OG 3.07Å; K209-T272 PolarHBondContact NZ-O 3.28Å
210A81.4Confident76.3Confident2 Ų250.5 Ų50.52%0.01728%0.28CS..Hα-helixtrans-57.1-45.2-177.600000112.5W206 S212 E213 T214 F404 V434W206-A210 HydrophobicContact CZ2-CB 4.25Å; W206-A210 WeakPolarHBondContact O-CB 3.38Å; W206-A210 PolarHBondContact O-N 3.04Å; A210-S212 PolarHBondContact O-N 3.13Å; A210-E213 PolarHBondContact O-N 3.07Å; A210-T214 PolarHBondContact O-N 3.34Å; A210-T214 PolarHBondContact O-OG1 3.14Å; A210-F404 HydrophobicContact CB-CZ 4.38Å; A210-V434 HydrophobicContact CB-CG1 3.89Å
211L79.1Confident74.4Confident48 Ų4850.1 Ų50.125%0.25128%0.28SS..Hα-helixtrans-67-34.3176.2-68.1169.9000112.7T207 K209 A215 R431 V434T207-L211 WeakPolarHBondContact O-CB 3.37Å; T207-L211 WeakPolarHBondContact O-CD1 3.35Å; T207-L211 VanDerWaalsContact O-CG 3.22Å; T207-L211 WeakPolarHBondContact O-CG 3.16Å; T207-L211 PolarHBondContact O-N 2.66Å; T207-L211 VanDerWaalsContact O-N 3.09Å; K209-L211 PolarHBondContact O-N 3.34Å; L211-A215 WeakPolarHBondContact O-CB 3.34Å; L211-A215 PolarHBondContact O-N 2.91Å; L211-A215 VanDerWaalsContact O-N 3.09Å; L211-R431 HydrophobicContact CD1-CG 4.19Å; L211-V434 HydrophobicContact CD1-CG2 4.4Å; L211-V434 HydrophobicContact CD2-CG2 3.82Å; L211-V434 HydrophobicContact CG-CG2 3.98Å
212S80.1Confident72.3Confident58 Ų5854.8 Ų54.841%0.40631%0.305SS..Hα-helixtrans-71.2-32.4175.6720000113.3T208 K209 A210 A215 C216T208-S212 VanDerWaalsContact O-CB 3.31Å; T208-S212 WeakPolarHBondContact O-CB 3.28Å; T208-S212 PolarHBondContact O-N 3.44Å; T208-S212 PolarHBondContact O-OG 3.05Å; K209-S212 PolarHBondContact O-N 3.15Å; K209-S212 PolarHBondContact O-OG 3.14Å; A210-S212 PolarHBondContact O-N 3.13Å; S212-A215 PolarHBondContact O-N 2.9Å; S212-C216 PolarHBondContact O-N 2.67Å; S212-C216 VanDerWaalsContact O-N 3.17Å; S212-C216 PolarHBondContact O-SG 2.88Å
213E70.4Confident70.4Confident58 Ų5857.2 Ų57.227%0.27132%0.316SS..Hα-helixtrans-67.3-50.5178.1-162.7176.5111.800110K209 A210 A215 C216 E217 K443K209-E213 WeakPolarHBondContact O-CB 3.04Å; K209-E213 PolarHBondContact O-N 2.9Å; A210-E213 PolarHBondContact O-N 3.07Å; E213-A215 PolarHBondContact O-N 2.85Å; E213-C216 WeakPolarHBondContact O-CB 3.21Å; E213-C216 PolarHBondContact O-N 2.84Å; E213-C216 VanDerWaalsContact O-N 3.08Å; E213-E217 WeakPolarHBondContact O-CG 3.45Å; E213-E217 PolarHBondContact O-N 3.32Å; E213-K443 WeakPolarHBondContact OE1-CD 3.25Å; E213-K443 WeakPolarHBondContact OE1-CE 3.3Å; E213-K443 IonicContact OE1-NZ 3.16Å; E213-K443 PolarHBondContact OE1-NZ 3.37Å
214T67.1Low68.4Low3 Ų355.2 Ų55.22%0.01831%0.306CS..Hα-helixtrans-55-46.5171-67.20000113A210 C216 E217 D218 S403 F404A210-T214 PolarHBondContact O-N 3.34Å; A210-T214 PolarHBondContact O-OG1 3.14Å; T214-C216 PolarHBondContact O-N 2.87Å; T214-E217 WeakPolarHBondContact O-CB 3.41Å; T214-E217 PolarHBondContact O-N 2.93Å; T214-D218 PolarHBondContact O-N 2.95Å; T214-S403 WeakPolarHBondContact CG2-OG 3.42Å; T214-S403 PolarHBondContact OG1-OG 2.99Å; T214-F404 VanDerWaalsContact OG1-CE2 3.27Å; T214-F404 WeakPolarHBondContact OG1-CE2 3.49Å
215A60.4Low66.5Low59 Ų5962.9 Ų62.949%0.48833%0.333SS..Hα-helixtrans-63.7-23.4178.800000113.4L211 S212 E213 S219L211-A215 WeakPolarHBondContact O-CB 3.34Å; L211-A215 PolarHBondContact O-N 2.91Å; L211-A215 VanDerWaalsContact O-N 3.09Å; S212-A215 PolarHBondContact O-N 2.9Å; E213-A215 PolarHBondContact O-N 2.85Å; A215-S219 WeakPolarHBondContact O-CB 3.32Å; A215-S219 PolarHBondContact O-N 2.76Å
216C59.9Low64.4Low83 Ų8366 Ų6656%0.56135%0.346SS*.Hα-helixtrans-79.7-41169.9-74.20000112.3S212 E213 T214 D218 S219 E220S212-C216 PolarHBondContact O-N 2.67Å; S212-C216 VanDerWaalsContact O-N 3.17Å; S212-C216 PolarHBondContact O-SG 2.88Å; E213-C216 WeakPolarHBondContact O-CB 3.21Å; E213-C216 PolarHBondContact O-N 2.84Å; E213-C216 VanDerWaalsContact O-N 3.08Å; T214-C216 PolarHBondContact O-N 2.87Å; C216-D218 PolarHBondContact O-N 3.27Å; C216-S219 PolarHBondContact O-N 2.81Å; C216-E220 PolarHBondContact O-N 2.67Å
217E59.1Low62.1Low72 Ų7270.8 Ų70.834%0.33638%0.375SS..Hα-helixtrans-53.6-51.3172.9-67.3169.3167.200110.6E213 T214 S219 E220 E221 S403 K443E213-E217 WeakPolarHBondContact O-CG 3.45Å; E213-E217 PolarHBondContact O-N 3.32Å; T214-E217 WeakPolarHBondContact O-CB 3.41Å; T214-E217 PolarHBondContact O-N 2.93Å; E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 2.85Å; E217-E220 PolarHBondContact O-N 3.07Å; E217-E221 PolarHBondContact O-N 2.83Å; E217-S403 PolarHBondContact OE2-OG 3.29Å; E217-K443 IonicContact OE1-NZ 3.7Å; E217-K443 PolarHBondContact OE1-NZ 3.42Å; E217-K443 IonicContact OE2-NZ 3.88Å
218D54.6Low59.6Low76 Ų7673.9 Ų73.941%0.40641%0.408SS..Hα-helixtrans-63.1-34.3178.9-73.3-38.9000113.2T214 C216 E221 N222T214-D218 PolarHBondContact O-N 2.95Å; C216-D218 PolarHBondContact O-N 3.27Å; D218-E221 WeakPolarHBondContact O-CB 3.2Å; D218-N222 WeakPolarHBondContact O-CB 3.11Å; D218-N222 PolarHBondContact O-N 3.18Å
219S57.2Low57.2Low60 Ų6074.5 Ų74.542%0.4242%0.42SS..Hα-helixtrans-70.4-38178.6-170.30000112.1A215 C216 E217 K223A215-S219 WeakPolarHBondContact O-CB 3.32Å; A215-S219 PolarHBondContact O-N 2.76Å; C216-S219 PolarHBondContact O-N 2.81Å; E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 2.85Å; S219-K223 VanDerWaalsContact O-CG 3.32Å; S219-K223 WeakPolarHBondContact O-CG 3.47Å; S219-K223 PolarHBondContact O-N 2.9Å; S219-K223 VanDerWaalsContact O-N 3.13Å
220E54.3Low55Low83 Ų8381.7 Ų81.739%0.38845%0.453SS..Hα-helixtrans-69.3-42.3172.7-75.2-62.7115.100112C216 E217 N222 K223 Q224C216-E220 PolarHBondContact O-N 2.67Å; E217-E220 PolarHBondContact O-N 3.07Å; E220-N222 PolarHBondContact O-N 3.37Å; E220-K223 PolarHBondContact O-N 3.05Å; E220-K223 IonicContact OE1-NZ 3.33Å; E220-K223 PolarHBondContact OE1-NZ 3.49Å; E220-Q224 WeakPolarHBondContact O-CG 3.4Å; E220-Q224 PolarHBondContact O-N 3.21Å
221E52.8Low52.5Low99 Ų9986.5 Ų86.546%0.46349%0.487SS..Hα-helixtrans-53.5-50.9170.6-93.4-102.2171.700111.6E217 D218 K223 Q224 R225E217-E221 PolarHBondContact O-N 2.83Å; D218-E221 WeakPolarHBondContact O-CB 3.2Å; E221-K223 PolarHBondContact O-N 3.05Å; E221-Q224 PolarHBondContact O-N 2.81Å; E221-Q224 VanDerWaalsContact O-N 3.13Å; E221-R225 WeakPolarHBondContact O-CG 3.44Å; E221-R225 PolarHBondContact O-N 3.35Å; E221-R225 IonicContact OE2-CZ 3.79Å; E221-R225 VanDerWaalsContact OE2-CZ 3.23Å; E221-R225 IonicContact OE2-NE 2.69Å; E221-R225 PolarHBondContact OE2-NE 3.39Å; E221-R225 IonicContact OE2-NH2 3.14Å; E221-R225 PolarHBondContact OE2-NH2 3.1Å
222N46.9Very low49.9Very low99 Ų9992.1 Ų92.153%0.52952%0.516SS..Hα-helixtrans-67.5-36.7-176.9-122.5-20.8000112.7D218 E220 Q224 R225 L226D218-N222 WeakPolarHBondContact O-CB 3.11Å; D218-N222 PolarHBondContact O-N 3.18Å; E220-N222 PolarHBondContact O-N 3.37Å; N222-Q224 VanDerWaalsContact C-N 3.34Å; N222-R225 PolarHBondContact O-N 2.99Å; N222-L226 WeakPolarHBondContact O-CD1 3.37Å; N222-L226 PolarHBondContact O-N 3.18Å
223K48.4Very low47.5Very low113 Ų11395.1 Ų95.149%0.49154%0.535SS..Hα-helixtrans-62-39.7170.2-71.9172.5-161.2164.60112.2S219 E220 E221 L226 T227S219-K223 VanDerWaalsContact O-CG 3.32Å; S219-K223 WeakPolarHBondContact O-CG 3.47Å; S219-K223 PolarHBondContact O-N 2.9Å; S219-K223 VanDerWaalsContact O-N 3.13Å; E220-K223 PolarHBondContact O-N 3.05Å; E220-K223 IonicContact OE1-NZ 3.33Å; E220-K223 PolarHBondContact OE1-NZ 3.49Å; E221-K223 PolarHBondContact O-N 3.05Å; K223-L226 PolarHBondContact O-N 3.05Å; K223-T227 WeakPolarHBondContact O-CG2 3.25Å; K223-T227 PolarHBondContact O-N 2.88Å; K223-T227 PolarHBondContact O-OG1 3.06Å
224Q47.1Very low45.2Very low82 Ų82101.9 Ų101.938%0.38356%0.563SS.*Hα-helixtrans-68.9-35.5176.7-73.5-177.352.300112E220 E221 N222 T227 G228E220-Q224 WeakPolarHBondContact O-CG 3.4Å; E220-Q224 PolarHBondContact O-N 3.21Å; E221-Q224 PolarHBondContact O-N 2.81Å; E221-Q224 VanDerWaalsContact O-N 3.13Å; N222-Q224 VanDerWaalsContact C-N 3.34Å; Q224-T227 WeakPolarHBondContact CA-OG1 3.37Å; Q224-T227 PolarHBondContact O-N 2.86Å; Q224-T227 PolarHBondContact O-OG1 3.26Å; Q224-G228 PolarHBondContact O-N 2.87Å
225R48.3Very low43.2Very low171 Ų171110.7 Ų110.765%0.64560%0.604SS**Hα-helixtrans-64.9-37.9172.9-67.6173.1-168.6-1615.6112.2E221 N222E221-R225 WeakPolarHBondContact O-CG 3.44Å; E221-R225 PolarHBondContact O-N 3.35Å; E221-R225 IonicContact OE2-CZ 3.79Å; E221-R225 VanDerWaalsContact OE2-CZ 3.23Å; E221-R225 IonicContact OE2-NE 2.69Å; E221-R225 PolarHBondContact OE2-NE 3.39Å; E221-R225 IonicContact OE2-NH2 3.14Å; E221-R225 PolarHBondContact OE2-NH2 3.1Å; N222-R225 PolarHBondContact O-N 2.99Å
226L43.4Very low41.5Very low129 Ų129113 Ų11368%0.67561%0.612SS**Hα-helixtrans-71.3-42.1174.2-96.671.7000113.2N222 K223 A229N222-L226 WeakPolarHBondContact O-CD1 3.37Å; N222-L226 PolarHBondContact O-N 3.18Å; K223-L226 PolarHBondContact O-N 3.05Å; L226-A229 PolarHBondContact O-N 3.41Å
227T38.4Very low39.8Very low101 Ų101114.8 Ų114.862%0.6263%0.625SS**Hα-helixtrans-76.7-27.7-17850.20000113.3K223 Q224 A229 Q230K223-T227 WeakPolarHBondContact O-CG2 3.25Å; K223-T227 PolarHBondContact O-N 2.88Å; K223-T227 PolarHBondContact O-OG1 3.06Å; Q224-T227 WeakPolarHBondContact CA-OG1 3.37Å; Q224-T227 PolarHBondContact O-N 2.86Å; Q224-T227 PolarHBondContact O-OG1 3.26Å; T227-A229 PolarHBondContact O-N 3.03Å; T227-A229 VanDerWaalsContact O-N 3.14Å; T227-Q230 PolarHBondContact O-N 3.35Å
228G34.4Very low37.9Very low66 Ų66117.5 Ų117.568%0.6865%0.646SS**THydrogen-bonded Turntrans-63.6-12.6172.700000115Q224Q224-G228 PolarHBondContact O-N 2.87Å
229A34.1Very low36.5Very low81 Ų81120 Ų12067%0.66967%0.67SS**THydrogen-bonded Turntrans-86.5-4.3-179.200000114.8L226 T227L226-A229 PolarHBondContact O-N 3.41Å; T227-A229 PolarHBondContact O-N 3.03Å; T227-A229 VanDerWaalsContact O-N 3.14Å
230Q37.5Very low34.9Very low172 Ų172122 Ų12280%0.80468%0.684SS**  trans-13673-174.4-66.8-168-1.300114.5T227T227-Q230 PolarHBondContact O-N 3.35Å
231S28.6Very low33.5Very low103 Ų103125.2 Ų125.272%0.7270%0.704SS**  trans-164.1109.3151.137.60000114.1
232L24.7Very low32.2Very low166 Ų166130.2 Ų130.287%0.86973%0.727SS**  trans144.2122.4139.8-80160.4000111.9
233P28.8Very low31.1Very low122 Ų122129.2 Ų129.279%0.79274%0.74SS**  trans-77.2157.4174.332.8-34.4000112.1
234K24.1Very low30Very low199 Ų199129.5 Ų129.587%0.86576%0.756SS**  trans-56.9139175.8-59.5170.3-178.5175.10111.2
235H25.2Very low29.5Very low189 Ų189131.8 Ų131.888%0.87578%0.778SS**  trans-121133151.6-134.7-82.2000109.8
236V22.7Very low28.3Very low107 Ų107129.7 Ų129.765%0.64879%0.79SS**  trans-93.5138.4-177.41760000109.5T238V236-T238 HydrophobicContact CG1-CG2 4.27Å
237S24.4Very low27.4Very low121 Ų121127.9 Ų127.985%0.84679%0.794SS**  trans-156.4127157.5-76.30000108.8
238T20.9Very low26.8Very low128 Ų128128.5 Ų128.579%0.78580%0.802SS**  trans-124131.7-171.247.90000110.8V236V236-T238 HydrophobicContact CG1-CG2 4.27Å
239S23.6Very low26.3Very low128 Ų128131.6 Ų131.690%0.89581%0.808SS**  trans-154.8145.5152.848.90000109.1
240S24.7Very low25.9Very low102 Ų102133.8 Ų133.871%0.71382%0.815SS**  trans-96.9165.4-174.251.90000112.2
241D24.8Very low25.2Very low152 Ų152133.9 Ų133.981%0.81382%0.818SS**  -173.7162.1106.3-88.2-1.8000111.3
242E24.9Very low25.1Very low203 Ų203137 Ų13795%0.94983%0.825SS**  trans-95.3155.7-172.5-63.2-167.6134.200113.9
243G24.2Very low25.1Very low78 Ų78134.7 Ų134.780%0.80482%0.818SS**  trans-165.8125.7170.600000112
244S26.1Very low25Very low119 Ų119138.6 Ų138.683%0.83282%0.822SS**  trans-87.8167.3-169.962.40000113.6
245P36.2Very low25.1Very low130 Ų130135.6 Ų135.684%0.84482%0.821SS**  trans-93.5157.4-152.235.9-37000116
246S22.8Very low25.1Very low127 Ų127129.5 Ų129.589%0.88881%0.809SS**  trans-144.4166.6159.361.50000110.6
247A25.1Very low25.7Very low92 Ų92128.8 Ų128.876%0.7680%0.801SS**  trans-114.2176.2-155.900000115.8
248S24.2Very low25.8Very low113 Ų113133.1 Ų133.179%0.7981%0.805SS**  trans70.885.1164.865.40000119.2
249T24.6Very low26.4Very low132 Ų132129.9 Ų129.981%0.8178%0.78SS**  -164.2133.6125.77.20000110.8M251T249-M251 PolarHBondContact O-N 2.84Å
250P25.2Very low26.6Very low126 Ų126128.6 Ų128.682%0.81877%0.771SS**  trans-80.397.9170.731.7-31.4000109.6I252P250-I252 PolarHBondContact O-N 2.84Å
251M23.2Very low26.6Very low175 Ų175128 Ų12886%0.86277%0.772SS**  trans-68.1127.1170.6-91.1-158.9165.600110.8T249 T253T249-M251 PolarHBondContact O-N 2.84Å; M251-T253 PolarHBondContact O-N 3.09Å
252I26.8Very low26.9Very low167 Ų167127.6 Ų127.686%0.85677%0.766SS**  trans-65105.8173.1-61.8170.4000108.1P250 K254P250-I252 PolarHBondContact O-N 2.84Å; I252-K254 PolarHBondContact O-N 3Å
253T24.4Very low27.2Very low118 Ų118124.5 Ų124.572%0.72475%0.749SS**  trans-68.3124.8173.637.50000109.6M251 T255M251-T253 PolarHBondContact O-N 3.09Å; T253-T255 PolarHBondContact O-N 2.99Å
254K26.5Very low27.4Very low205 Ų205125.6 Ų125.689%0.89174%0.742SS**  trans-60.5107.1170.8-77.7-175.2172.8-174.90109.2I252 G256I252-K254 PolarHBondContact O-N 3Å; K254-G256 PolarHBondContact O-N 2.67Å
255T26.1Very low27.6Very low135 Ų135126 Ų12683%0.82874%0.739SS**  trans-69.384.7164.849.20000108.9T253T253-T255 PolarHBondContact O-N 2.99Å
256G26.4Very low27.2Very low62 Ų62126.6 Ų126.664%0.63973%0.734SS**  trans-56.7141.6165.500000109.6K254 K258K254-G256 PolarHBondContact O-N 2.67Å; G256-K258 PolarHBondContact O-N 2.85Å; G256-K258 VanDerWaalsContact O-N 3.13Å
257L34.8Very low27.5Very low92 Ų92127.3 Ų127.348%0.48272%0.723SS.*  trans-55.4122.7-179.5-81.587.1000109.9F259 A552 L556L257-F259 HydrophobicContact CB-CD2 4.08Å; L257-F259 HydrophobicContact CB-CE2 3.93Å; L257-F259 PolarHBondContact O-N 3.05Å; L257-A552 HydrophobicContact CD2-CB 4.19Å; L257-L556 HydrophobicContact CD1-CD1 4.38Å
258K26.8Very low27.6Very low211 Ų211128.5 Ų128.592%0.91772%0.721SS**  trans-70.388.4157.4-73.4-173175.9-175.50107.5G256 S260G256-K258 PolarHBondContact O-N 2.85Å; G256-K258 VanDerWaalsContact O-N 3.13Å; K258-S260 PolarHBondContact O-N 2.92Å
259F32.4Very low27.9Very low60 Ų60128.5 Ų128.526%0.26372%0.718SS.*  trans-56.7128159.1-72-92.2000107.4L257 A261 F530L257-F259 HydrophobicContact CB-CD2 4.08Å; L257-F259 HydrophobicContact CB-CE2 3.93Å; L257-F259 PolarHBondContact O-N 3.05Å; F259-A261 PolarHBondContact O-N 2.78Å; F259-F530 HydrophobicContact CE1-CD1 4.36Å; F259-F530 HydrophobicContact CE1-CG 4.35Å; F259-F530 HydrophobicContact CZ-CD1 4.2Å; F259-F530 HydrophobicContact CZ-CE1 4.45Å
260S27.6Very low28.4Very low102 Ų102126 Ų12671%0.71371%0.705SS**  trans-65.2119.4173.6-162.90000107.7K258 E262K258-S260 PolarHBondContact O-N 2.92Å; S260-E262 PolarHBondContact O-N 2.97Å
261A26.3Very low29Very low88 Ų88128.7 Ų128.773%0.72771%0.709SS**  trans-87.352.9-171.500000111.6F259 K263F259-A261 PolarHBondContact O-N 2.78Å; A261-K263 PolarHBondContact O-N 2.96Å
262E30.9Very low30.1Very low145 Ų145124.4 Ų124.468%0.67869%0.693SS**  trans-61.8106.5159.6-73.3177.1132.500106.8S260S260-E262 PolarHBondContact O-N 2.97Å
263K30.6Very low31.5Very low137 Ų137123 Ų12360%0.59669%0.686SS**  trans-74.9152.5175-68.4-178.9-168.2170.40108.6A261 V265A261-K263 PolarHBondContact O-N 2.96Å; K263-V265 PolarHBondContact O-N 3.39Å
264P28.1Very low33.5Very low102 Ų102118.5 Ų118.566%0.66266%0.657SS**  trans-57.9115.2179.924-34.7000110.6I266P264-I266 PolarHBondContact O-N 3.21Å
265V30.1Very low35.7Very low127 Ų127113.6 Ų113.677%0.7764%0.641SS**  trans-62117.7167177.30000106.9K263 E267K263-V265 PolarHBondContact O-N 3.39Å; V265-E267 PolarHBondContact O-N 3.08Å
266I27.8Very low38.3Very low143 Ų143111 Ų11173%0.73362%0.618SS**  trans-69.3114.6167.9-63.8175.6000105.7P264 V268P264-I266 PolarHBondContact O-N 3.21Å; I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 2.66Å
267E29.1Very low41.1Very low142 Ų142115.1 Ų115.166%0.66462%0.618SS**  trans-62.688.4-178.9-72.1-178.3172.300110.8V265 K506V265-E267 PolarHBondContact O-N 3.08Å; E267-K506 WeakPolarHBondContact OE1-CE 3.25Å; E267-K506 IonicContact OE1-NZ 3.99Å; E267-K506 PolarHBondContact OE1-NZ 2.74Å
268V27.2Very low43.4Very low117 Ų117112.7 Ų112.771%0.70961%0.606SS**  trans-63.1125.1159.9-179.30000106.3I266 S270I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 2.66Å; V268-S270 PolarHBondContact O-N 2.64Å
269P31.2Very low46.2Very low112 Ų112102.9 Ų102.973%0.72757%0.565SS**  trans-62.9107.1-173.623.9-33.8000110.1M271P269-M271 PolarHBondContact O-N 2.99Å
270S35.3Very low48.7Very low79 Ų79104.4 Ų104.455%0.55257%0.573SS**  trans-66.6102.3-172.771.60000110.8K209 V268 T272K209-S270 PolarHBondContact NZ-OG 3.07Å; V268-S270 PolarHBondContact O-N 2.64Å; S270-T272 PolarHBondContact O-N 2.9Å
271M37Very low51.7Low183 Ų183104.5 Ų104.590%0.90156%0.562SS**SBendtrans-74.560.2177.7-72.1-164.470.400111.8P269P269-M271 PolarHBondContact O-N 2.99Å
272T47.5Very low54.7Low85 Ų85100.3 Ų100.352%0.52153%0.527SS..  trans-171.899.9154.514.50000107K209 S270 L274K209-T272 PolarHBondContact NZ-O 3.28Å; S270-T272 PolarHBondContact O-N 2.9Å; T272-L274 PolarHBondContact O-N 2.93Å
273I55.8Low57.4Low139 Ų13999 Ų9971%0.71352%0.52SS*.  trans-65.5122.9161.9-63.9171.6000105.7D275I273-D275 PolarHBondContact O-N 3.09Å
274L66.9Low60.3Low22 Ų2294.9 Ų94.912%0.11551%0.511CS..  trans-79.6112.2171.3-173.577.8000106.7P205 W206 T272 D278 L444P205-L274 HydrophobicContact CB-CD1 4.35Å; W206-L274 HydrophobicContact CE3-CD2 3.83Å; W206-L274 HydrophobicContact CZ3-CD2 4.36Å; T272-L274 PolarHBondContact O-N 2.93Å; L274-D278 HydrophobicContact CD1-CB 3.87Å; L274-D278 HydrophobicContact CG-CB 4.28Å; L274-L444 HydrophobicContact CD2-CD1 3.87Å
275D72.4Confident63.4Low103 Ų10390.7 Ų90.755%0.55148%0.483SS*.  trans-59144.3176-86.8-9.3000110.3I273 K277 D278 G279I273-D275 PolarHBondContact O-N 3.09Å; D275-K277 PolarHBondContact O-N 2.96Å; D275-D278 PolarHBondContact O-N 2.96Å; D275-G279 PolarHBondContact O-N 3.39Å; D275-G279 VanDerWaalsContact O-N 3.15Å
276K80.1Confident66.3Low80 Ų8084.8 Ų84.835%0.34845%0.447SS..Hα-helixtrans-48-42.5-179.5-162.7-170.3-169.8-135.20112.5D278 G279 E280 E452K276-D278 VanDerWaalsContact C-N 3.28Å; K276-D278 PolarHBondContact O-N 3.35Å; K276-G279 PolarHBondContact O-N 3.01Å; K276-E280 VanDerWaalsContact CE-OE1 3.24Å; K276-E280 WeakPolarHBondContact CE-OE1 3.25Å; K276-E280 IonicContact NZ-OE1 3.98Å; K276-E280 PolarHBondContact NZ-OE1 2.83Å; K276-E280 WeakPolarHBondContact O-CG 3.43Å; K276-E280 PolarHBondContact O-N 2.86Å; K276-E452 WeakPolarHBondContact CE-OE1 3.43Å; K276-E452 IonicContact NZ-OE1 2.89Å; K276-E452 PolarHBondContact NZ-OE1 3.22Å
277K84.1Confident69.4Low148 Ų14882.9 Ų82.964%0.64344%0.435SS*.Hα-helixtrans-58.1-35.8178.7-169.8-163.9171.3-168.40112.9D275 Q281D275-K277 PolarHBondContact O-N 2.96Å; K277-Q281 WeakPolarHBondContact O-CB 3.41Å; K277-Q281 VanDerWaalsContact O-CG 3.25Å; K277-Q281 WeakPolarHBondContact O-CG 3.41Å; K277-Q281 PolarHBondContact O-N 3.49Å; K277-Q281 VanDerWaalsContact O-N 3.12Å; K277-Q281 PolarHBondContact O-NE2 3.36Å
278D84.5Confident72.4Confident41 Ų4182 Ų8222%0.21943%0.428CS..Hα-helixtrans-83.8-31.7-179.3-68-13.4000111.5L274 D275 K276 Q281 A282L274-D278 HydrophobicContact CD1-CB 3.87Å; L274-D278 HydrophobicContact CG-CB 4.28Å; D275-D278 PolarHBondContact O-N 2.96Å; K276-D278 VanDerWaalsContact C-N 3.28Å; K276-D278 PolarHBondContact O-N 3.35Å; D278-Q281 PolarHBondContact O-N 2.87Å; D278-Q281 PolarHBondContact OD1-NE2 3.1Å; D278-A282 WeakPolarHBondContact O-CB 3.35Å; D278-A282 PolarHBondContact O-N 2.99Å
279G85Confident75.5Confident5 Ų576.4 Ų76.45%0.05240%0.395CS..Hα-helixtrans-63.3-45.5168.200000112.9D275 K276 A282 K283D275-G279 PolarHBondContact O-N 3.39Å; D275-G279 VanDerWaalsContact O-N 3.15Å; K276-G279 PolarHBondContact O-N 3.01Å; G279-A282 PolarHBondContact O-N 3.48Å; G279-K283 WeakPolarHBondContact O-CB 3.33Å; G279-K283 PolarHBondContact O-N 2.99Å
280E85.9Confident78.4Confident93 Ų9376.2 Ų76.244%0.43538%0.38SS..Hα-helixtrans-62.2-41.5173.9-73.3178.3-170.400112K276 K283 A284K276-E280 VanDerWaalsContact CE-OE1 3.24Å; K276-E280 WeakPolarHBondContact CE-OE1 3.25Å; K276-E280 IonicContact NZ-OE1 3.98Å; K276-E280 PolarHBondContact NZ-OE1 2.83Å; K276-E280 WeakPolarHBondContact O-CG 3.43Å; K276-E280 PolarHBondContact O-N 2.86Å; E280-K283 PolarHBondContact O-N 3.05Å; E280-A284 WeakPolarHBondContact O-CB 3.45Å; E280-A284 PolarHBondContact O-N 3.04Å
281Q88.9Confident81Confident104 Ų10479.9 Ų79.949%0.48639%0.386SS..Hα-helixtrans-63-44.2173.9-79.7170.891.700112.5K277 D278 A284 L285K277-Q281 WeakPolarHBondContact O-CB 3.41Å; K277-Q281 VanDerWaalsContact O-CG 3.25Å; K277-Q281 WeakPolarHBondContact O-CG 3.41Å; K277-Q281 PolarHBondContact O-N 3.49Å; K277-Q281 VanDerWaalsContact O-N 3.12Å; K277-Q281 PolarHBondContact O-NE2 3.36Å; D278-Q281 PolarHBondContact O-N 2.87Å; D278-Q281 PolarHBondContact OD1-NE2 3.1Å; Q281-A284 PolarHBondContact O-N 3.05Å; Q281-L285 WeakPolarHBondContact O-CB 3.24Å; Q281-L285 PolarHBondContact O-N 3Å
282A89.4Confident83.6Confident0 Ų071.6 Ų71.60%034%0.344CS..Hα-helixtrans-63.3-43.4177.300000111.3W206 D278 G279 A284 L285 F286 F435 L444W206-A282 HydrophobicContact CB-CB 3.87Å; W206-A282 HydrophobicContact CG-CB 4.1Å; D278-A282 WeakPolarHBondContact O-CB 3.35Å; D278-A282 PolarHBondContact O-N 2.99Å; G279-A282 PolarHBondContact O-N 3.48Å; A282-A284 PolarHBondContact O-N 2.96Å; A282-L285 CarbonylContact O-C 3.55Å; A282-L285 WeakPolarHBondContact O-CA 3.49Å; A282-L285 WeakPolarHBondContact O-CB 3.26Å; A282-L285 PolarHBondContact O-N 2.9Å; A282-F286 VanDerWaalsContact O-CD2 3.31Å; A282-F286 WeakPolarHBondContact O-CD2 3.17Å; A282-F286 PolarHBondContact O-N 2.85Å; A282-F435 HydrophobicContact CB-CE1 4.21Å; A282-L444 HydrophobicContact CB-CD1 4.43Å; A282-L444 HydrophobicContact CB-CD2 3.62Å
283K89.1Confident85.7Confident118 Ų11870 Ų7051%0.51333%0.329SS..Hα-helixtrans-59.5-43.2174.4-175.3177.2-178.5176.70112.2G279 E280 L285 E287 L444G279-K283 WeakPolarHBondContact O-CB 3.33Å; G279-K283 PolarHBondContact O-N 2.99Å; E280-K283 PolarHBondContact O-N 3.05Å; K283-L285 PolarHBondContact O-N 2.82Å; K283-E287 PolarHBondContact O-N 2.82Å; K283-L444 HydrophobicContact CB-CD2 4.36Å
284A90.9Very high87.2Confident50 Ų5066.4 Ų66.441%0.41332%0.32SS..Hα-helixtrans-68.2-19.8173.900000113.5E280 Q281 A282 K288E280-A284 WeakPolarHBondContact O-CB 3.45Å; E280-A284 PolarHBondContact O-N 3.04Å; Q281-A284 PolarHBondContact O-N 3.05Å; A282-A284 PolarHBondContact O-N 2.96Å; A284-K288 WeakPolarHBondContact O-CD 3.16Å; A284-K288 VanDerWaalsContact O-CG 3.29Å; A284-K288 WeakPolarHBondContact O-CG 3.46Å; A284-K288 PolarHBondContact O-N 2.89Å
285L92.6Very high88.2Confident13 Ų1371 Ų717%0.06834%0.34CS..Hα-helixtrans-85.6-39.6177.3-170.755.7000112.2I197 K200 C201 Q281 A282 K283 E287 K288 V289 F435I197-L285 HydrophobicContact CG2-CD1 4.17Å; K200-L285 HydrophobicContact CB-CD1 4.19Å; K200-L285 HydrophobicContact CB-CD2 4.19Å; K200-L285 WeakPolarHBondContact O-CD2 3.27Å; C201-L285 HydrophobicContact CB-CD2 4.47Å; Q281-L285 WeakPolarHBondContact O-CB 3.24Å; Q281-L285 PolarHBondContact O-N 3Å; A282-L285 CarbonylContact O-C 3.55Å; A282-L285 WeakPolarHBondContact O-CA 3.49Å; A282-L285 WeakPolarHBondContact O-CB 3.26Å; A282-L285 PolarHBondContact O-N 2.9Å; K283-L285 PolarHBondContact O-N 2.82Å; L285-E287 VanDerWaalsContact C-N 3.31Å; L285-E287 PolarHBondContact O-N 3.3Å; L285-K288 PolarHBondContact O-N 3.49Å; L285-K288 VanDerWaalsContact O-N 3.17Å; L285-V289 WeakPolarHBondContact O-CB 3.43Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 2.84Å; L285-F435 HydrophobicContact CB-CE1 4.26Å; L285-F435 HydrophobicContact CD2-CD2 4.44Å; L285-F435 HydrophobicContact CD2-CE1 4.13Å; L285-F435 HydrophobicContact CD2-CE2 3.84Å; L285-F435 HydrophobicContact CD2-CZ 3.69Å; L285-F435 HydrophobicContact CG-CD1 4.49Å; L285-F435 HydrophobicContact CG-CE1 4.29Å; L285-F435 HydrophobicContact CG-CZ 4.33Å
286F92.2Very high89Confident4 Ų466 Ų662%0.01831%0.314CS..Hα-helixtrans-52-48.5168.6-85.4-78.9000111.4W206 A282 K288 V289 R290 F435 S437 E441 L444W206-F286 AromaticContact NE1-CE2 3.79Å; W206-F286 AromaticContact NE1-CZ 3.9Å; A282-F286 VanDerWaalsContact O-CD2 3.31Å; A282-F286 WeakPolarHBondContact O-CD2 3.17Å; A282-F286 PolarHBondContact O-N 2.85Å; F286-K288 PolarHBondContact O-N 2.91Å; F286-V289 PolarHBondContact O-N 2.98Å; F286-R290 WeakPolarHBondContact O-CB 3.48Å; F286-R290 PolarHBondContact O-N 3.07Å; F286-F435 HydrophobicContact CD1-CD1 4.06Å; F286-F435 WeakPolarHBondContact CD1-O 3.39Å; F286-F435 AromaticContact CD2-CD1 3.69Å; F286-F435 HydrophobicContact CD2-CD1 3.69Å; F286-F435 AromaticContact CD2-CE1 3.9Å; F286-F435 HydrophobicContact CD2-CE1 3.9Å; F286-F435 HydrophobicContact CE1-CB 4.45Å; F286-F435 HydrophobicContact CE1-CD1 4.01Å; F286-F435 AromaticContact CE2-CD1 3.61Å; F286-F435 HydrophobicContact CE2-CD1 3.61Å; F286-F435 AromaticContact CE2-CE1 3.75Å; F286-F435 HydrophobicContact CE2-CE1 3.75Å; F286-F435 AromaticContact CG-CD1 3.91Å; F286-F435 HydrophobicContact CG-CD1 3.91Å; F286-F435 AromaticContact CZ-CD1 3.77Å; F286-F435 HydrophobicContact CZ-CD1 3.77Å; F286-F435 HydrophobicContact CZ-CE1 4.29Å; F286-S437 WeakPolarHBondContact CE1-O 3.39Å; F286-E441 HydrophobicContact CB-CG 4.31Å; F286-E441 HydrophobicContact CD1-CB 3.87Å; F286-E441 HydrophobicContact CD1-CG 3.96Å; F286-E441 HydrophobicContact CD2-CG 4.11Å; F286-E441 HydrophobicContact CE1-CB 3.73Å; F286-E441 HydrophobicContact CE1-CG 4.26Å; F286-E441 HydrophobicContact CE2-CB 4.41Å; F286-E441 HydrophobicContact CE2-CG 4.43Å; F286-E441 HydrophobicContact CG-CB 4.28Å; F286-E441 HydrophobicContact CG-CG 3.88Å; F286-E441 HydrophobicContact CZ-CB 4.03Å; F286-E441 HydrophobicContact CZ-CG 4.5Å; F286-L444 HydrophobicContact CD2-CD2 3.84Å; F286-L444 HydrophobicContact CE2-CD2 3.64Å
287E91.3Very high89.4Confident102 Ų10263.9 Ų63.948%0.47731%0.305SS..Hα-helixtrans-61.9-41.7177.9-171.258.8-137.300112.5K283 L285 R290 K291K283-E287 PolarHBondContact O-N 2.82Å; L285-E287 VanDerWaalsContact C-N 3.31Å; L285-E287 PolarHBondContact O-N 3.3Å; E287-R290 IonicContact OE1-NH1 2.72Å; E287-R290 IonicContact OE2-CZ 3.12Å; E287-R290 IonicContact OE2-NH1 2.85Å; E287-R290 PolarHBondContact OE2-NH1 2.7Å; E287-R290 IonicContact OE2-NH2 3.42Å; E287-K291 VanDerWaalsContact O-CB 3.29Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 PolarHBondContact O-N 2.65Å
288K92.8Very high89.4Confident123 Ų12364.2 Ų64.254%0.53531%0.314SS..Hα-helixtrans-64.3-43.6175.3-75.7170.9-176.9176.40112I197 A284 L285 F286 K291 F292I197-K288 HydrophobicContact CD1-CB 4.27Å; A284-K288 WeakPolarHBondContact O-CD 3.16Å; A284-K288 VanDerWaalsContact O-CG 3.29Å; A284-K288 WeakPolarHBondContact O-CG 3.46Å; A284-K288 PolarHBondContact O-N 2.89Å; L285-K288 PolarHBondContact O-N 3.49Å; L285-K288 VanDerWaalsContact O-N 3.17Å; F286-K288 PolarHBondContact O-N 2.91Å; K288-K291 PolarHBondContact O-N 2.9Å; K288-F292 WeakPolarHBondContact O-CB 3.4Å; K288-F292 PolarHBondContact O-N 3Å
289V92.8Very high89.4Confident1 Ų163.1 Ų63.11%0.00631%0.309CS..Hα-helixtrans-61.5-49.1177.1167.20000110.3I197 L285 F286 K291 F292 R293 F432 F435 L436I197-V289 HydrophobicContact CG2-CG2 3.6Å; L285-V289 WeakPolarHBondContact O-CB 3.43Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 2.84Å; F286-V289 PolarHBondContact O-N 2.98Å; V289-K291 PolarHBondContact O-N 2.9Å; V289-F292 PolarHBondContact O-N 3.34Å; V289-R293 VanDerWaalsContact O-CB 3.3Å; V289-R293 WeakPolarHBondContact O-CB 3.46Å; V289-R293 PolarHBondContact O-N 3.32Å; V289-F432 HydrophobicContact CG1-CE1 3.96Å; V289-F432 HydrophobicContact CG1-CZ 3.8Å; V289-F432 HydrophobicContact CG2-CE2 4.29Å; V289-F432 HydrophobicContact CG2-CZ 4.06Å; V289-F435 HydrophobicContact CG1-CB 4.46Å; V289-F435 HydrophobicContact CG2-CB 4.15Å; V289-L436 HydrophobicContact CG1-CD2 3.64Å; V289-L436 HydrophobicContact CG1-CG 4.37Å
290R91Very high89.6Confident107 Ų10764.4 Ų64.440%0.40432%0.315SS..Hα-helixtrans-60-44.6179-151.9-172.7-50.9111.80111.9F286 E287 A294 E441F286-R290 WeakPolarHBondContact O-CB 3.48Å; F286-R290 PolarHBondContact O-N 3.07Å; E287-R290 IonicContact OE1-NH1 2.72Å; E287-R290 IonicContact OE2-CZ 3.12Å; E287-R290 IonicContact OE2-NH1 2.85Å; E287-R290 PolarHBondContact OE2-NH1 2.7Å; E287-R290 IonicContact OE2-NH2 3.42Å; R290-A294 PolarHBondContact O-N 3.37Å; R290-E441 IonicContact CZ-OE2 2.84Å; R290-E441 VanDerWaalsContact NH2-CD 3.29Å; R290-E441 IonicContact NH2-OE1 3.37Å; R290-E441 PolarHBondContact NH2-OE1 2.71Å; R290-E441 VanDerWaalsContact NH2-OE1 3.14Å; R290-E441 IonicContact NH2-OE2 3.7Å; R290-E441 PolarHBondContact NH2-OE2 2.64Å
291K91.1Very high89.8Confident157 Ų15763.1 Ų63.168%0.68331%0.311SS*.Hα-helixtrans-69.8-37.3178-173.3171.3-176.3171.50113.3E287 K288 V289 H295E287-K291 VanDerWaalsContact O-CB 3.29Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 PolarHBondContact O-N 2.65Å; K288-K291 PolarHBondContact O-N 2.9Å; V289-K291 PolarHBondContact O-N 2.9Å; K291-H295 PolarHBondContact O-N 3.35Å
292F91.1Very high90Very high8 Ų858.2 Ų58.24%0.03529%0.288CS..Hα-helixtrans-70.4-42.8177.6178.4-103.3000111.9H193 F194 I197 K288 V289 A294 H295 V296 F414H193-F292 HydrophobicContact CB-CD2 4.29Å; H193-F292 HydrophobicContact CB-CE2 3.86Å; H193-F292 AromaticContact CD2-CD2 3.23Å; H193-F292 WeakPolarHBondContact CD2-CD2 3.36Å; H193-F292 AromaticContact CD2-CE2 3.69Å; H193-F292 AromaticContact CD2-CG 3.95Å; H193-F292 AromaticContact CG-CD2 3.94Å; H193-F292 AromaticContact NE2-CD2 3.98Å; F194-F292 HydrophobicContact CB-CE1 4.01Å; F194-F292 HydrophobicContact CB-CZ 3.68Å; F194-F292 AromaticContact CD2-CE1 3.84Å; F194-F292 HydrophobicContact CD2-CE1 3.84Å; F194-F292 HydrophobicContact CD2-CZ 4.38Å; F194-F292 HydrophobicContact CG-CE1 4.39Å; I197-F292 HydrophobicContact CD1-CB 3.49Å; I197-F292 VanDerWaalsContact CD1-CB 3.49Å; I197-F292 HydrophobicContact CD1-CD1 4.14Å; I197-F292 HydrophobicContact CD1-CD2 4.27Å; I197-F292 HydrophobicContact CD1-CG 3.7Å; K288-F292 WeakPolarHBondContact O-CB 3.4Å; K288-F292 PolarHBondContact O-N 3Å; V289-F292 PolarHBondContact O-N 3.34Å; F292-A294 PolarHBondContact O-N 2.96Å; F292-H295 PolarHBondContact O-N 3.21Å; F292-V296 HydrophobicContact CD1-CG2 4.47Å; F292-V296 HydrophobicContact CD2-CG2 4.03Å; F292-V296 HydrophobicContact CE1-CB 4.48Å; F292-V296 HydrophobicContact CE1-CG2 3.95Å; F292-V296 HydrophobicContact CE2-CG2 3.48Å; F292-V296 VanDerWaalsContact CE2-CG2 3.48Å; F292-V296 HydrophobicContact CZ-CB 4.34Å; F292-V296 HydrophobicContact CZ-CG2 3.43Å; F292-V296 VanDerWaalsContact CZ-CG2 3.43Å; F292-V296 PolarHBondContact O-N 3.26Å; F292-V296 VanDerWaalsContact O-N 3.16Å; F292-F414 HydrophobicContact CD1-CD2 4.18Å; F292-F414 AromaticContact CD1-CE2 3.79Å; F292-F414 HydrophobicContact CD1-CE2 3.79Å; F292-F414 AromaticContact CE1-CD2 3.81Å; F292-F414 HydrophobicContact CE1-CD2 3.81Å; F292-F414 AromaticContact CE1-CE2 3.71Å; F292-F414 HydrophobicContact CE1-CE2 3.71Å
293R90.9Very high90.1Very high53 Ų5359.9 Ų59.920%0.229%0.294CS..Hα-helixtrans-49.1-56.6173.4177.5-173.8173.7161.519.7110.6V289 H295 V296 E297 D409V289-R293 VanDerWaalsContact O-CB 3.3Å; V289-R293 WeakPolarHBondContact O-CB 3.46Å; V289-R293 PolarHBondContact O-N 3.32Å; R293-H295 PolarHBondContact O-N 2.85Å; R293-V296 PolarHBondContact O-N 3.2Å; R293-E297 HydrophobicContact CG-CG 4.05Å; R293-E297 VanDerWaalsContact CG-OE2 3.25Å; R293-E297 WeakPolarHBondContact CG-OE2 3.4Å; R293-E297 IonicContact CZ-OE1 3.67Å; R293-E297 IonicContact CZ-OE2 3.14Å; R293-E297 IonicContact NE-OE1 3.48Å; R293-E297 PolarHBondContact NE-OE1 3.32Å; R293-E297 VanDerWaalsContact NE-OE1 3.12Å; R293-E297 IonicContact NE-OE2 3.28Å; R293-E297 PolarHBondContact NE-OE2 3.25Å; R293-E297 IonicContact NH2-OE1 2.68Å; R293-E297 PolarHBondContact NH2-OE1 3.34Å; R293-E297 IonicContact NH2-OE2 2.6Å; R293-E297 PolarHBondContact NH2-OE2 3.17Å; R293-E297 PolarHBondContact O-N 3.3Å; R293-D409 PolarHBondContact NH2-O 3.44Å
294A88.4Confident90.2Very high62 Ų6259.5 Ų59.551%0.51229%0.293SS..Hα-helixtrans-58.2-30.9178.800000113.6R290 F292R290-A294 PolarHBondContact O-N 3.37Å; F292-A294 PolarHBondContact O-N 2.96Å
295H87.9Confident90.3Very high118 Ų11858.4 Ų58.455%0.54628%0.28SS..Hα-helixtrans-79.5-15.5178-175.266.2000114.4K190 K291 F292 R293K190-H295 WeakPolarHBondContact CE-NE2 3.36Å; K190-H295 PolarHBondContact NZ-O 2.87Å; K291-H295 PolarHBondContact O-N 3.35Å; F292-H295 PolarHBondContact O-N 3.21Å; R293-H295 PolarHBondContact O-N 2.85Å
296V88.3Confident90.3Very high0 Ų057.9 Ų57.90%028%0.277CS..Hα-helixtrans-117.1-26.2-174.4-173.70000113.5K190 F292 R293 D298 S299 D413 F414K190-V296 HydrophobicContact CD-CG2 4.09Å; F292-V296 HydrophobicContact CD1-CG2 4.47Å; F292-V296 HydrophobicContact CD2-CG2 4.03Å; F292-V296 HydrophobicContact CE1-CB 4.48Å; F292-V296 HydrophobicContact CE1-CG2 3.95Å; F292-V296 HydrophobicContact CE2-CG2 3.48Å; F292-V296 VanDerWaalsContact CE2-CG2 3.48Å; F292-V296 HydrophobicContact CZ-CB 4.34Å; F292-V296 HydrophobicContact CZ-CG2 3.43Å; F292-V296 VanDerWaalsContact CZ-CG2 3.43Å; F292-V296 PolarHBondContact O-N 3.26Å; F292-V296 VanDerWaalsContact O-N 3.16Å; R293-V296 PolarHBondContact O-N 3.2Å; V296-D298 VanDerWaalsContact C-N 3.29Å; V296-D298 PolarHBondContact O-N 3.41Å; V296-S299 WeakPolarHBondContact O-CB 3.41Å; V296-S299 PolarHBondContact O-N 3.08Å; V296-D413 HydrophobicContact CG1-CB 3.79Å; V296-F414 HydrophobicContact CB-CB 4.28Å; V296-F414 HydrophobicContact CB-CD2 4.32Å; V296-F414 HydrophobicContact CG1-CB 3.92Å; V296-F414 HydrophobicContact CG1-CD2 4.41Å
297E88.3Confident90.3Very high35 Ų3558.8 Ų58.816%0.16428%0.283CS..Hα-helixtrans-65.2-30173.2-73.3-174.413600113.3R293 S299 V410 K411 N412 F414R293-E297 HydrophobicContact CG-CG 4.05Å; R293-E297 VanDerWaalsContact CG-OE2 3.25Å; R293-E297 WeakPolarHBondContact CG-OE2 3.4Å; R293-E297 IonicContact CZ-OE1 3.67Å; R293-E297 IonicContact CZ-OE2 3.14Å; R293-E297 IonicContact NE-OE1 3.48Å; R293-E297 PolarHBondContact NE-OE1 3.32Å; R293-E297 VanDerWaalsContact NE-OE1 3.12Å; R293-E297 IonicContact NE-OE2 3.28Å; R293-E297 PolarHBondContact NE-OE2 3.25Å; R293-E297 IonicContact NH2-OE1 2.68Å; R293-E297 PolarHBondContact NH2-OE1 3.34Å; R293-E297 IonicContact NH2-OE2 2.6Å; R293-E297 PolarHBondContact NH2-OE2 3.17Å; R293-E297 PolarHBondContact O-N 3.3Å; E297-S299 PolarHBondContact O-N 3.14Å; E297-S299 VanDerWaalsContact O-N 3.16Å; E297-V410 VanDerWaalsContact OE1-CA 3.32Å; E297-V410 WeakPolarHBondContact OE1-CA 3.37Å; E297-V410 WeakPolarHBondContact OE1-CB 3.36Å; E297-K411 PolarHBondContact OE1-N 3.24Å; E297-N412 PolarHBondContact O-ND2 3.07Å; E297-F414 HydrophobicContact CG-CB 4.16Å
298D84Confident90.3Very high155 Ų15557.6 Ų57.683%0.82928%0.282SS*.THydrogen-bonded Turntrans-69.5-3.3172-76.1-10.2000113.9V296V296-D298 VanDerWaalsContact C-N 3.29Å; V296-D298 PolarHBondContact O-N 3.41Å
299S85.9Confident90.3Very high17 Ų1752.1 Ų52.112%0.11926%0.259CS..  trans-114.2140.1-166.4-168.40000111.7K190 V296 E297 N412 D413K190-S299 PolarHBondContact NZ-OG 3.08Å; V296-S299 WeakPolarHBondContact O-CB 3.41Å; V296-S299 PolarHBondContact O-N 3.08Å; E297-S299 PolarHBondContact O-N 3.14Å; E297-S299 VanDerWaalsContact O-N 3.16Å; S299-N412 WeakPolarHBondContact O-CB 3.35Å; S299-D413 VanDerWaalsContact CB-OD2 3.22Å; S299-D413 WeakPolarHBondContact CB-OD2 3.41Å; S299-D413 WeakPolarHBondContact O-CB 3.39Å; S299-D413 PolarHBondContact O-N 2.97Å; S299-D413 PolarHBondContact OG-OD2 3.26Å
300D88.9Confident90.2Very high33 Ų3352.1 Ų52.118%0.17626%0.259CS..  trans-138.323.1-173.2-154.437.7000111.5K304 K391 D413D300-K304 WeakPolarHBondContact O-CB 3.35Å; D300-K304 WeakPolarHBondContact O-CD 3.32Å; D300-K304 WeakPolarHBondContact O-CG 3.04Å; D300-K304 WeakPolarHBondContact OD2-CE 3.19Å; D300-K304 IonicContact OD2-NZ 2.69Å; D300-K304 PolarHBondContact OD2-NZ 2.94Å; D300-K391 WeakPolarHBondContact OD1-CE 3.42Å; D300-K391 IonicContact OD1-NZ 3.92Å; D300-K391 PolarHBondContact OD1-NZ 3.28Å; D300-K391 IonicContact OD2-NZ 2.87Å; D300-K391 PolarHBondContact OD2-NZ 3.05Å; D300-D413 VanDerWaalsContact C-OD1 3.25Å; D300-D413 WeakPolarHBondContact CA-OD1 3.35Å; D300-D413 PolarHBondContact N-OD2 3.45Å; D300-D413 VanDerWaalsContact N-OD2 3.16Å
301L91Very high90.3Very high66 Ų6649.8 Ų49.835%0.34626%0.256SS..Hα-helixtrans-94.4-37.9-168.7179.564.2000112.4K186 T187 L305 D413K186-L301 HydrophobicContact CB-CD2 3.78Å; T187-L301 HydrophobicContact CG2-CD2 4.05Å; T187-L301 HydrophobicContact CG2-CG 3.89Å; L301-L305 VanDerWaalsContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 PolarHBondContact O-N 3.29Å; L301-D413 VanDerWaalsContact N-CG 3.31Å; L301-D413 PolarHBondContact N-OD1 3.1Å; L301-D413 PolarHBondContact N-OD2 3.16Å
302I92.1Very high90.3Very high1 Ų146.1 Ų46.11%0.00524%0.243CC..Hα-helixtrans-66.3-49.5178.3-54.6177000108.8W181 T187 K190 I191 L305 Y306 D413 F416 L417W181-I302 HydrophobicContact CE3-CG2 3.77Å; W181-I302 HydrophobicContact CZ3-CG2 3.73Å; T187-I302 HydrophobicContact CG2-CG1 3.89Å; K190-I302 HydrophobicContact CB-CD1 4.03Å; I191-I302 HydrophobicContact CG1-CD1 4.26Å; I302-L305 PolarHBondContact O-N 2.93Å; I302-Y306 PolarHBondContact O-N 2.99Å; I302-D413 WeakPolarHBondContact CA-OD1 3.22Å; I302-D413 HydrophobicContact CB-CB 4.3Å; I302-D413 WeakPolarHBondContact CB-OD1 3.28Å; I302-D413 HydrophobicContact CD1-CB 4.18Å; I302-D413 HydrophobicContact CG1-CB 4.3Å; I302-D413 VanDerWaalsContact N-CG 3.32Å; I302-D413 PolarHBondContact N-OD1 2.99Å; I302-D413 PolarHBondContact N-OD2 2.59Å; I302-F416 HydrophobicContact CG2-CD1 3.94Å; I302-F416 HydrophobicContact CG2-CE1 3.95Å; I302-L417 HydrophobicContact CD1-CD1 3.81Å; I302-L417 HydrophobicContact CD1-CD2 4.44Å; I302-L417 HydrophobicContact CD1-CG 4.26Å; I302-L417 HydrophobicContact CG2-CD2 4.36Å
303Y92.1Very high90.4Very high34 Ų3445.9 Ų45.913%0.13324%0.242CC..Hα-helixtrans-58-51.5175.9173.6-104.6000111.5L305 Y306 V307 L385 L390 K391 D413 F416Y303-L305 VanDerWaalsContact C-N 3.3Å; Y303-L305 PolarHBondContact O-N 2.58Å; Y303-Y306 PolarHBondContact O-N 3.46Å; Y303-Y306 VanDerWaalsContact O-N 3.16Å; Y303-V307 HydrophobicContact CD1-CG2 4.28Å; Y303-V307 HydrophobicContact CD2-CG2 4.3Å; Y303-V307 HydrophobicContact CE1-CG2 3.82Å; Y303-V307 HydrophobicContact CE2-CG2 3.86Å; Y303-V307 HydrophobicContact CG-CG2 4.49Å; Y303-V307 WeakPolarHBondContact O-CG2 3.38Å; Y303-V307 PolarHBondContact O-N 3.07Å; Y303-L385 HydrophobicContact CE2-CD1 4.33Å; Y303-L385 HydrophobicContact CE2-CG 4.47Å; Y303-L390 HydrophobicContact CE2-CB 4.25Å; Y303-K391 HydrophobicContact CD1-CG 4.28Å; Y303-K391 HydrophobicContact CE1-CD 4.29Å; Y303-K391 HydrophobicContact CE1-CG 4.3Å; Y303-D413 PolarHBondContact N-OD1 2.85Å; Y303-F416 HydrophobicContact CD2-CB 4.44Å; Y303-F416 AromaticContact CD2-CD2 3.74Å; Y303-F416 HydrophobicContact CD2-CD2 3.74Å; Y303-F416 HydrophobicContact CD2-CE2 4.25Å; Y303-F416 HydrophobicContact CD2-CG 4.08Å
304K91.4Very high90.4Very high110 Ų11043.8 Ų43.848%0.47824%0.235SC..Hα-helixtrans-58.8-39.8178.8-77.2174.1-168.91430112.6D300 V307 V308D300-K304 WeakPolarHBondContact O-CB 3.35Å; D300-K304 WeakPolarHBondContact O-CD 3.32Å; D300-K304 WeakPolarHBondContact O-CG 3.04Å; D300-K304 WeakPolarHBondContact OD2-CE 3.19Å; D300-K304 IonicContact OD2-NZ 2.69Å; D300-K304 PolarHBondContact OD2-NZ 2.94Å; K304-V307 PolarHBondContact O-N 2.95Å; K304-V308 WeakPolarHBondContact O-CB 3.41Å; K304-V308 VanDerWaalsContact O-CG2 3.28Å; K304-V308 WeakPolarHBondContact O-CG2 3.4Å; K304-V308 PolarHBondContact O-N 3.47Å
305L91.9Very high90.6Very high27 Ų2745 Ų4514%0.14124%0.236CC..Hα-helixtrans-69.4-37.5178.8-169.157.3000111.8F180 W181 Y184 T187 L301 I302 Y303 V308 Q309F180-L305 HydrophobicContact CD1-CD1 3.89Å; F180-L305 HydrophobicContact CD1-CD2 3.98Å; F180-L305 HydrophobicContact CD1-CG 4.27Å; F180-L305 HydrophobicContact CE1-CD1 3.88Å; F180-L305 HydrophobicContact CE1-CD2 4.05Å; W181-L305 HydrophobicContact CB-CD2 3.82Å; W181-L305 HydrophobicContact CB-CG 4.04Å; Y184-L305 HydrophobicContact CD1-CD2 3.99Å; Y184-L305 HydrophobicContact CG-CD2 4.5Å; T187-L305 HydrophobicContact CG2-CD2 3.95Å; L301-L305 VanDerWaalsContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 PolarHBondContact O-N 3.29Å; I302-L305 PolarHBondContact O-N 2.93Å; Y303-L305 VanDerWaalsContact C-N 3.3Å; Y303-L305 PolarHBondContact O-N 2.58Å; L305-V308 PolarHBondContact O-N 3.11Å; L305-Q309 WeakPolarHBondContact O-CG 3.44Å; L305-Q309 PolarHBondContact O-N 2.89Å
306Y92.3Very high90.8Very high2 Ų242.9 Ų42.91%0.00823%0.225CC..Hα-helixtrans-67.4-38.5174.7-163.6-83.9000112.5W24 D25 W181 I302 Y303 Q309 T310 L385 F416 M420W24-Y306 PolarHBondContact NE1-OH 3.21Å; D25-Y306 PolarHBondContact OD2-OH 3.05Å; W181-Y306 HydrophobicContact CD2-CD2 4.26Å; W181-Y306 AromaticContact CE2-CD2 3.92Å; W181-Y306 HydrophobicContact CZ2-CD2 4.08Å; W181-Y306 HydrophobicContact CZ2-CE2 4.12Å; I302-Y306 PolarHBondContact O-N 2.99Å; Y303-Y306 PolarHBondContact O-N 3.46Å; Y303-Y306 VanDerWaalsContact O-N 3.16Å; Y306-Q309 WeakPolarHBondContact O-CG 3.37Å; Y306-T310 WeakPolarHBondContact O-CB 3.49Å; Y306-T310 PolarHBondContact O-N 3.46Å; Y306-T310 PolarHBondContact O-OG1 2.88Å; Y306-L385 HydrophobicContact CD1-CD1 3.78Å; Y306-L385 HydrophobicContact CD1-CD2 4.28Å; Y306-L385 HydrophobicContact CE1-CD1 4.07Å; Y306-F416 HydrophobicContact CD1-CE2 4.31Å; Y306-F416 AromaticContact CD1-CZ 3.84Å; Y306-F416 HydrophobicContact CD1-CZ 3.84Å; Y306-F416 HydrophobicContact CD2-CE1 4.44Å; Y306-F416 AromaticContact CD2-CZ 3.92Å; Y306-F416 HydrophobicContact CD2-CZ 3.92Å; Y306-F416 HydrophobicContact CE1-CZ 4.48Å; Y306-F416 HydrophobicContact CG-CE1 4.22Å; Y306-F416 HydrophobicContact CG-CE2 4.41Å; Y306-F416 AromaticContact CG-CZ 3.53Å; Y306-F416 HydrophobicContact CG-CZ 3.53Å; Y306-M420 HydrophobicContact CD2-CE 4.33Å; Y306-M420 HydrophobicContact CE2-CE 3.61Å
307V92.4Very high90.9Very high24 Ų2443.8 Ų43.815%0.14523%0.229CC..Hα-helixtrans-60-54.4170.2177.30000110.5Y303 K304 Q309 T310 V311 L385 F386Y303-V307 HydrophobicContact CD1-CG2 4.28Å; Y303-V307 HydrophobicContact CD2-CG2 4.3Å; Y303-V307 HydrophobicContact CE1-CG2 3.82Å; Y303-V307 HydrophobicContact CE2-CG2 3.86Å; Y303-V307 HydrophobicContact CG-CG2 4.49Å; Y303-V307 WeakPolarHBondContact O-CG2 3.38Å; Y303-V307 PolarHBondContact O-N 3.07Å; K304-V307 PolarHBondContact O-N 2.95Å; V307-Q309 PolarHBondContact O-N 2.84Å; V307-T310 PolarHBondContact O-N 2.91Å; V307-V311 HydrophobicContact CG1-CG2 4.37Å; V307-V311 WeakPolarHBondContact O-CG2 3.47Å; V307-V311 PolarHBondContact O-N 2.82Å; V307-L385 HydrophobicContact CB-CD2 4.05Å; V307-L385 HydrophobicContact CG1-CD2 4.41Å; V307-L385 HydrophobicContact CG2-CD2 3.57Å; V307-L385 HydrophobicContact CG2-CG 4.23Å; V307-F386 HydrophobicContact CG1-CZ 4.27Å
308V92.2Very high91.1Very high76 Ų7646.7 Ų46.746%0.46125%0.245SC..Hα-helixtrans-61.9-44.2-174.8168.10000112K304 L305 T310 V311 I312K304-V308 WeakPolarHBondContact O-CB 3.41Å; K304-V308 VanDerWaalsContact O-CG2 3.28Å; K304-V308 WeakPolarHBondContact O-CG2 3.4Å; K304-V308 PolarHBondContact O-N 3.47Å; L305-V308 PolarHBondContact O-N 3.11Å; V308-T310 VanDerWaalsContact C-N 3.33Å; V308-T310 PolarHBondContact O-N 3.36Å; V308-V311 PolarHBondContact O-N 2.91Å; V308-I312 HydrophobicContact CG1-CD1 3.69Å; V308-I312 HydrophobicContact CG1-CG1 4.45Å; V308-I312 WeakPolarHBondContact O-CB 3.43Å; V308-I312 VanDerWaalsContact O-CG1 3.26Å; V308-I312 WeakPolarHBondContact O-CG1 2.97Å; V308-I312 PolarHBondContact O-N 2.89Å
309Q91.8Very high91.6Very high8 Ų844.8 Ų44.84%0.03723%0.23CC..Hα-helixtrans-64.2-37.8178.375.5-171.51.900112S177 L305 Y306 V307 I312 K313S177-Q309 PolarHBondContact O-OE1 3.26Å; L305-Q309 WeakPolarHBondContact O-CG 3.44Å; L305-Q309 PolarHBondContact O-N 2.89Å; Y306-Q309 WeakPolarHBondContact O-CG 3.37Å; V307-Q309 PolarHBondContact O-N 2.84Å; Q309-I312 PolarHBondContact O-N 2.89Å; Q309-K313 WeakPolarHBondContact O-CG 3.43Å; Q309-K313 PolarHBondContact O-N 2.97Å
310T91.9Very high91.9Very high1 Ų144 Ų441%0.00622%0.224CC..Hα-helixtrans-72.1-37.4-179.1-49.50000111.9Y306 V307 V308 K313 T314 T381 L382Y306-T310 WeakPolarHBondContact O-CB 3.49Å; Y306-T310 PolarHBondContact O-N 3.46Å; Y306-T310 PolarHBondContact O-OG1 2.88Å; V307-T310 PolarHBondContact O-N 2.91Å; V308-T310 VanDerWaalsContact C-N 3.33Å; V308-T310 PolarHBondContact O-N 3.36Å; T310-K313 PolarHBondContact O-N 2.79Å; T310-T314 PolarHBondContact O-N 2.83Å; T310-T314 VanDerWaalsContact O-N 3.07Å; T310-T314 PolarHBondContact O-OG1 2.96Å; T310-T381 WeakPolarHBondContact CG2-OG1 3.38Å; T310-L382 HydrophobicContact CG2-CD2 3.68Å; T310-L382 HydrophobicContact CG2-CG 3.86Å
311V92.8Very high92Very high58 Ų5844.8 Ų44.835%0.35223%0.228SC..Hα-helixtrans-62.5-45.41701730000110.6V307 V308 K313 T314 V315 L382V307-V311 HydrophobicContact CG1-CG2 4.37Å; V307-V311 WeakPolarHBondContact O-CG2 3.47Å; V307-V311 PolarHBondContact O-N 2.82Å; V308-V311 PolarHBondContact O-N 2.91Å; V311-K313 PolarHBondContact O-N 2.82Å; V311-T314 PolarHBondContact O-N 3.44Å; V311-V315 HydrophobicContact CG1-CG2 4.38Å; V311-V315 WeakPolarHBondContact O-CG2 3.35Å; V311-V315 PolarHBondContact O-N 2.91Å; V311-L382 HydrophobicContact CG2-CD2 3.81Å
312I91.6Very high92Very high80 Ų8045.7 Ų45.741%0.4124%0.239SC..Hα-helixtrans-61-45.3177.9-71.6167.6000111.4V308 Q309 T314 V315 K316V308-I312 HydrophobicContact CG1-CD1 3.69Å; V308-I312 HydrophobicContact CG1-CG1 4.45Å; V308-I312 WeakPolarHBondContact O-CB 3.43Å; V308-I312 VanDerWaalsContact O-CG1 3.26Å; V308-I312 WeakPolarHBondContact O-CG1 2.97Å; V308-I312 PolarHBondContact O-N 2.89Å; Q309-I312 PolarHBondContact O-N 2.89Å; I312-T314 VanDerWaalsContact C-N 3.33Å; I312-T314 PolarHBondContact O-N 3.13Å; I312-V315 PolarHBondContact O-N 3Å; I312-K316 HydrophobicContact CG2-CG 4.48Å; I312-K316 WeakPolarHBondContact O-CB 2.82Å; I312-K316 WeakPolarHBondContact O-CG 3.48Å; I312-K316 PolarHBondContact O-N 2.99Å
313K91.5Very high91.9Very high3 Ų347.3 Ų47.31%0.01325%0.245CC..Hα-helixtrans-55.8-46.8174.5-71.8171.7179.8-176.70111.4D25 L174 S177 S178 Q309 T310 V311 K316 F317 Y374 C378D25-K313 IonicContact OD1-NZ 2.84Å; L174-K313 HydrophobicContact CD2-CB 4.45Å; L174-K313 HydrophobicContact CD2-CG 4.41Å; S177-K313 WeakPolarHBondContact OG-CG 3.2Å; S178-K313 VanDerWaalsContact CA-CE 3.49Å; S178-K313 WeakPolarHBondContact OG-CE 3.17Å; S178-K313 PolarHBondContact OG-NZ 3.22Å; Q309-K313 WeakPolarHBondContact O-CG 3.43Å; Q309-K313 PolarHBondContact O-N 2.97Å; T310-K313 PolarHBondContact O-N 2.79Å; V311-K313 PolarHBondContact O-N 2.82Å; K313-K316 PolarHBondContact O-N 3.2Å; K313-F317 PolarHBondContact O-N 2.84Å; K313-Y374 HydrophobicContact CB-CE1 4.5Å; K313-C378 WeakPolarHBondContact CB-SG 3.44Å
314T91.8Very high91.7Very high9 Ų945.8 Ų45.86%0.05524%0.239CC..Hα-helixtrans-66.9-41.9-178.7-56.20000112.3T310 V311 I312 K316 F317 I318 C378 L379 L382T310-T314 PolarHBondContact O-N 2.83Å; T310-T314 VanDerWaalsContact O-N 3.07Å; T310-T314 PolarHBondContact O-OG1 2.96Å; V311-T314 PolarHBondContact O-N 3.44Å; I312-T314 VanDerWaalsContact C-N 3.33Å; I312-T314 PolarHBondContact O-N 3.13Å; T314-K316 VanDerWaalsContact C-N 3.32Å; T314-K316 PolarHBondContact O-N 2.82Å; T314-F317 WeakPolarHBondContact O-CB 3.34Å; T314-F317 PolarHBondContact O-N 2.94Å; T314-I318 HydrophobicContact CG2-CD1 4.19Å; T314-I318 WeakPolarHBondContact O-CG1 3.21Å; T314-I318 PolarHBondContact O-N 3.49Å; T314-C378 WeakPolarHBondContact OG1-CB 3.45Å; T314-L379 HydrophobicContact CG2-CD2 3.78Å; T314-L379 HydrophobicContact CG2-CG 4.39Å; T314-L382 HydrophobicContact CG2-CD1 3.86Å; T314-L382 VanDerWaalsContact OG1-CD1 3.25Å; T314-L382 WeakPolarHBondContact OG1-CD1 3.27Å
315V92.7Very high91.5Very high88 Ų8842.7 Ų42.753%0.53323%0.234SC..Hα-helixtrans-62.9-39173.7171.40000111.2V311 I312 I318 F319V311-V315 HydrophobicContact CG1-CG2 4.38Å; V311-V315 WeakPolarHBondContact O-CG2 3.35Å; V311-V315 PolarHBondContact O-N 2.91Å; I312-V315 PolarHBondContact O-N 3Å; V315-I318 PolarHBondContact O-N 3.31Å; V315-F319 WeakPolarHBondContact O-CB 3.47Å; V315-F319 PolarHBondContact O-N 2.85Å
316K91.5Very high91.2Very high73 Ų7346.6 Ų46.632%0.31726%0.255SS..Hα-helixtrans-65.9-40.9173.8-71.5-64.2-177.1-175.40112.3L174 I312 K313 T314 F319 I320L174-K316 HydrophobicContact CD2-CB 4.31Å; I312-K316 HydrophobicContact CG2-CG 4.48Å; I312-K316 WeakPolarHBondContact O-CB 2.82Å; I312-K316 WeakPolarHBondContact O-CG 3.48Å; I312-K316 PolarHBondContact O-N 2.99Å; K313-K316 PolarHBondContact O-N 3.2Å; T314-K316 VanDerWaalsContact C-N 3.32Å; T314-K316 PolarHBondContact O-N 2.82Å; K316-F319 PolarHBondContact O-N 3.45Å; K316-I320 WeakPolarHBondContact O-CB 3.5Å; K316-I320 WeakPolarHBondContact O-CD1 3.37Å; K316-I320 WeakPolarHBondContact O-CG1 3.12Å; K316-I320 PolarHBondContact O-N 3.44Å
317F91.8Very high90.8Very high19 Ų1948.4 Ų48.48%0.08326%0.263CS..Hα-helixtrans-56-53.1172.5153-111.9000111.5K313 T314 F319 I320 L321 I371 G375 L379K313-F317 PolarHBondContact O-N 2.84Å; T314-F317 WeakPolarHBondContact O-CB 3.34Å; T314-F317 PolarHBondContact O-N 2.94Å; F317-F319 VanDerWaalsContact C-N 3.33Å; F317-F319 PolarHBondContact O-N 3.24Å; F317-I320 PolarHBondContact O-N 2.87Å; F317-L321 HydrophobicContact CE2-CB 4.23Å; F317-L321 HydrophobicContact CE2-CD2 3.82Å; F317-L321 HydrophobicContact CZ-CD2 3.8Å; F317-L321 WeakPolarHBondContact O-CB 3.38Å; F317-L321 PolarHBondContact O-N 3.27Å; F317-I371 HydrophobicContact CD2-CG2 3.81Å; F317-I371 VanDerWaalsContact CD2-O 3.27Å; F317-I371 WeakPolarHBondContact CD2-O 3.48Å; F317-I371 HydrophobicContact CE2-CG2 4.18Å; F317-I371 WeakPolarHBondContact CE2-O 3.49Å; F317-G375 VanDerWaalsContact CD2-CA 3.48Å; F317-G375 VanDerWaalsContact CG-CA 3.46Å; F317-L379 HydrophobicContact CE1-CD1 4.22Å
318I92.4Very high90.3Very high96 Ų9648.2 Ų48.249%0.49226%0.262SS..Hα-helixtrans-59.9-43.8-179.7-66.4166.4000110.8T314 V315 C322T314-I318 HydrophobicContact CG2-CD1 4.19Å; T314-I318 WeakPolarHBondContact O-CG1 3.21Å; T314-I318 PolarHBondContact O-N 3.49Å; V315-I318 PolarHBondContact O-N 3.31Å; I318-C322 VanDerWaalsContact O-CB 3.23Å; I318-C322 WeakPolarHBondContact O-CB 3.49Å; I318-C322 PolarHBondContact O-N 2.85Å
319F93.5Very high89.7Confident116 Ų11651 Ų5151%0.50927%0.274SS..Hα-helixtrans-59.9-48176.6178.1-95.1000112.3V315 K316 F317 C322 Y323V315-F319 WeakPolarHBondContact O-CB 3.47Å; V315-F319 PolarHBondContact O-N 2.85Å; K316-F319 PolarHBondContact O-N 3.45Å; F317-F319 VanDerWaalsContact C-N 3.33Å; F317-F319 PolarHBondContact O-N 3.24Å; F319-C322 PolarHBondContact O-N 2.76Å; F319-Y323 AromaticContact CD1-CD1 3.92Å; F319-Y323 HydrophobicContact CD1-CD1 3.92Å; F319-Y323 AromaticContact CD1-CE1 3.97Å; F319-Y323 HydrophobicContact CD1-CE1 3.97Å; F319-Y323 AromaticContact CE1-CD1 3.68Å; F319-Y323 HydrophobicContact CE1-CD1 3.68Å; F319-Y323 AromaticContact CE1-CE1 3.73Å; F319-Y323 HydrophobicContact CE1-CE1 3.73Å; F319-Y323 HydrophobicContact CZ-CD1 4.23Å; F319-Y323 VanDerWaalsContact O-CD1 3.23Å; F319-Y323 WeakPolarHBondContact O-CD1 3.37Å; F319-Y323 PolarHBondContact O-N 3.08Å
320I92.6Very high89.2Confident0 Ų052.8 Ų52.80%029%0.29CS..Hα-helixtrans-63.4-48.1179.8-65.6160.3000110.5H170 K316 F317 C322 Y323 T324 Y367 I371H170-I320 HydrophobicContact CB-CD1 3.78Å; H170-I320 HydrophobicContact CB-CG1 4.42Å; K316-I320 WeakPolarHBondContact O-CB 3.5Å; K316-I320 WeakPolarHBondContact O-CD1 3.37Å; K316-I320 WeakPolarHBondContact O-CG1 3.12Å; K316-I320 PolarHBondContact O-N 3.44Å; F317-I320 PolarHBondContact O-N 2.87Å; I320-C322 VanDerWaalsContact C-N 3.33Å; I320-C322 PolarHBondContact O-N 3.13Å; I320-Y323 HydrophobicContact CB-CE1 4.26Å; I320-Y323 HydrophobicContact CG1-CE1 4.16Å; I320-Y323 HydrophobicContact CG2-CE1 4.44Å; I320-Y323 PolarHBondContact O-N 2.96Å; I320-T324 HydrophobicContact CG2-CG2 4.01Å; I320-T324 VanDerWaalsContact O-CB 3.32Å; I320-T324 WeakPolarHBondContact O-CB 3.48Å; I320-T324 VanDerWaalsContact O-CG2 3.29Å; I320-T324 WeakPolarHBondContact O-CG2 3.11Å; I320-T324 PolarHBondContact O-N 3.24Å; I320-T324 PolarHBondContact O-OG1 3.32Å; I320-Y367 HydrophobicContact CG2-CE1 4.09Å; I320-I371 HydrophobicContact CD1-CD1 4.04Å; I320-I371 HydrophobicContact CG2-CD1 3.97Å; I320-I371 HydrophobicContact CG2-CG1 4.1Å; I320-I371 HydrophobicContact CG2-CG2 4.11Å
321L91.7Very high88.9Confident50 Ų5053.4 Ų53.426%0.26229%0.294SS..Hα-helixtrans-60.7-43179.9-176.760.2000111.6F317 T324 A325 I368F317-L321 HydrophobicContact CE2-CB 4.23Å; F317-L321 HydrophobicContact CE2-CD2 3.82Å; F317-L321 HydrophobicContact CZ-CD2 3.8Å; F317-L321 WeakPolarHBondContact O-CB 3.38Å; F317-L321 PolarHBondContact O-N 3.27Å; L321-T324 PolarHBondContact O-OG1 2.85Å; L321-A325 VanDerWaalsContact O-CB 3.28Å; L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 2.84Å; L321-A325 VanDerWaalsContact O-N 3.08Å; L321-I368 HydrophobicContact CD1-CG2 3.93Å
322C90.6Very high88.4Confident84 Ų8453 Ų5357%0.56829%0.294SS*.Hα-helixtrans-60.6-49-179.8-1770000112.7I318 F319 I320 N326I318-C322 VanDerWaalsContact O-CB 3.23Å; I318-C322 WeakPolarHBondContact O-CB 3.49Å; I318-C322 PolarHBondContact O-N 2.85Å; F319-C322 PolarHBondContact O-N 2.76Å; I320-C322 VanDerWaalsContact C-N 3.33Å; I320-C322 PolarHBondContact O-N 3.13Å; C322-N326 PolarHBondContact O-ND2 3.34Å; C322-N326 VanDerWaalsContact O-ND2 3.17Å
323Y89.3Confident88.1Confident36 Ų3651.8 Ų51.814%0.14129%0.285CS..Hα-helixtrans-75.6-38.4-179.882.6-112.4000112.3H170 F319 I320 N326 F327H170-Y323 PolarHBondContact CD2-OH 2.73Å; H170-Y323 AromaticContact NE2-CE1 3.69Å; H170-Y323 AromaticContact NE2-CZ 3.82Å; H170-Y323 PolarHBondContact NE2-OH 2.99Å; F319-Y323 AromaticContact CD1-CD1 3.92Å; F319-Y323 HydrophobicContact CD1-CD1 3.92Å; F319-Y323 AromaticContact CD1-CE1 3.97Å; F319-Y323 HydrophobicContact CD1-CE1 3.97Å; F319-Y323 AromaticContact CE1-CD1 3.68Å; F319-Y323 HydrophobicContact CE1-CD1 3.68Å; F319-Y323 AromaticContact CE1-CE1 3.73Å; F319-Y323 HydrophobicContact CE1-CE1 3.73Å; F319-Y323 HydrophobicContact CZ-CD1 4.23Å; F319-Y323 VanDerWaalsContact O-CD1 3.23Å; F319-Y323 WeakPolarHBondContact O-CD1 3.37Å; F319-Y323 PolarHBondContact O-N 3.08Å; I320-Y323 HydrophobicContact CB-CE1 4.26Å; I320-Y323 HydrophobicContact CG1-CE1 4.16Å; I320-Y323 HydrophobicContact CG2-CE1 4.44Å; I320-Y323 PolarHBondContact O-N 2.96Å; Y323-N326 PolarHBondContact O-N 3.46Å; Y323-F327 AromaticContact CD2-CD2 3.86Å; Y323-F327 HydrophobicContact CD2-CD2 3.86Å; Y323-F327 AromaticContact CD2-CE2 3.43Å; Y323-F327 HydrophobicContact CD2-CE2 3.43Å; Y323-F327 VanDerWaalsContact CD2-CE2 3.43Å; Y323-F327 HydrophobicContact CD2-CZ 4.25Å; Y323-F327 HydrophobicContact CE2-CD2 4.44Å; Y323-F327 HydrophobicContact CE2-CE2 4.17Å; Y323-F327 HydrophobicContact CG-CE2 4.3Å; Y323-F327 WeakPolarHBondContact O-CD2 3.4Å; Y323-F327 WeakPolarHBondContact O-CG 3.2Å; Y323-F327 PolarHBondContact O-N 3.07Å
324T89Confident88Confident1 Ų157 Ų571%0.00631%0.31CS..Hα-helixtrans-68.2-38.8-175.951.40000112.5I320 L321 N326 F327 V328 L364I320-T324 HydrophobicContact CG2-CG2 4.01Å; I320-T324 VanDerWaalsContact O-CB 3.32Å; I320-T324 WeakPolarHBondContact O-CB 3.48Å; I320-T324 VanDerWaalsContact O-CG2 3.29Å; I320-T324 WeakPolarHBondContact O-CG2 3.11Å; I320-T324 PolarHBondContact O-N 3.24Å; I320-T324 PolarHBondContact O-OG1 3.32Å; L321-T324 PolarHBondContact O-OG1 2.85Å; T324-N326 VanDerWaalsContact C-N 3.29Å; T324-N326 PolarHBondContact O-N 3.34Å; T324-F327 PolarHBondContact O-N 3.42Å; T324-F327 VanDerWaalsContact O-N 3.09Å; T324-V328 PolarHBondContact O-N 2.69Å; T324-L364 HydrophobicContact CG2-CD1 4.09Å
325A85.9Confident87.9Confident46 Ų4657.9 Ų57.938%0.3831%0.313SS..Hα-helixtrans-57.8-40.5177.200000112.6L321 F327L321-A325 VanDerWaalsContact O-CB 3.28Å; L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 2.84Å; L321-A325 VanDerWaalsContact O-N 3.08Å; A325-F327 VanDerWaalsContact C-N 3.31Å; A325-F327 PolarHBondContact O-N 3.07Å
326N86Confident87.7Confident109 Ų10958.7 Ų58.758%0.58331%0.314SS*.Hα-helixtrans-64-35.1176.8-68-31.3000112.4C322 Y323 T324C322-N326 PolarHBondContact O-ND2 3.34Å; C322-N326 VanDerWaalsContact O-ND2 3.17Å; Y323-N326 PolarHBondContact O-N 3.46Å; T324-N326 VanDerWaalsContact C-N 3.29Å; T324-N326 PolarHBondContact O-N 3.34Å
327F83.6Confident87.6Confident39 Ų3955.4 Ų55.417%0.17130%0.3CS..Hα-helixtrans-81.7-27.3-175.5-56.4-20.7000113.7W158 Y159 Y323 T324 A325 N329 A330 I331W158-F327 AromaticContact CH2-CE2 3.46Å; W158-F327 HydrophobicContact CH2-CE2 3.46Å; W158-F327 VanDerWaalsContact CH2-CE2 3.46Å; W158-F327 AromaticContact CH2-CZ 3.56Å; W158-F327 HydrophobicContact CH2-CZ 3.56Å; W158-F327 HydrophobicContact CZ2-CE1 4.32Å; W158-F327 AromaticContact CZ2-CE2 3.81Å; W158-F327 HydrophobicContact CZ2-CE2 3.81Å; W158-F327 AromaticContact CZ2-CZ 3.43Å; W158-F327 HydrophobicContact CZ2-CZ 3.43Å; W158-F327 VanDerWaalsContact CZ2-CZ 3.43Å; W158-F327 HydrophobicContact CZ3-CE2 4.2Å; Y159-F327 HydrophobicContact CD1-CB 4.44Å; Y159-F327 AromaticContact CD1-CD1 3.79Å; Y159-F327 HydrophobicContact CD1-CD1 3.79Å; Y159-F327 HydrophobicContact CD1-CD2 4.22Å; Y159-F327 HydrophobicContact CD1-CE1 4.09Å; Y159-F327 HydrophobicContact CD1-CE2 4.47Å; Y159-F327 AromaticContact CD1-CG 3.9Å; Y159-F327 HydrophobicContact CD1-CG 3.9Å; Y159-F327 HydrophobicContact CD1-CZ 4.44Å; Y159-F327 HydrophobicContact CD2-CB 4.14Å; Y159-F327 HydrophobicContact CD2-CG 4.41Å; Y159-F327 HydrophobicContact CE1-CD1 4.15Å; Y159-F327 HydrophobicContact CG-CB 4.08Å; Y159-F327 HydrophobicContact CG-CD1 4.23Å; Y159-F327 AromaticContact CG-CD2 3.98Å; Y159-F327 HydrophobicContact CG-CD2 3.98Å; Y159-F327 AromaticContact CG-CG 3.84Å; Y159-F327 HydrophobicContact CG-CG 3.84Å; Y323-F327 AromaticContact CD2-CD2 3.86Å; Y323-F327 HydrophobicContact CD2-CD2 3.86Å; Y323-F327 AromaticContact CD2-CE2 3.43Å; Y323-F327 HydrophobicContact CD2-CE2 3.43Å; Y323-F327 VanDerWaalsContact CD2-CE2 3.43Å; Y323-F327 HydrophobicContact CD2-CZ 4.25Å; Y323-F327 HydrophobicContact CE2-CD2 4.44Å; Y323-F327 HydrophobicContact CE2-CE2 4.17Å; Y323-F327 HydrophobicContact CG-CE2 4.3Å; Y323-F327 WeakPolarHBondContact O-CD2 3.4Å; Y323-F327 WeakPolarHBondContact O-CG 3.2Å; Y323-F327 PolarHBondContact O-N 3.07Å; T324-F327 PolarHBondContact O-N 3.42Å; T324-F327 VanDerWaalsContact O-N 3.09Å; A325-F327 VanDerWaalsContact C-N 3.31Å; A325-F327 PolarHBondContact O-N 3.07Å; F327-N329 PolarHBondContact O-N 3.41Å; F327-A330 PolarHBondContact O-N 2.87Å; F327-I331 PolarHBondContact O-N 2.85Å
328V82.4Confident87.4Confident20 Ų2059.6 Ų59.612%0.12132%0.323CS..Hα-helixtrans-53.4-41.7175.8171.80000111.8T324 K361 L364 I365 I368T324-V328 PolarHBondContact O-N 2.69Å; V328-K361 WeakPolarHBondContact O-CE 3.33Å; V328-K361 PolarHBondContact O-NZ 3.38Å; V328-L364 HydrophobicContact CB-CD2 4.36Å; V328-L364 HydrophobicContact CG2-CD2 3.57Å; V328-L364 HydrophobicContact CG2-CG 3.75Å; V328-I365 HydrophobicContact CG1-CD1 4.25Å; V328-I365 HydrophobicContact CG1-CG1 4.02Å; V328-I365 HydrophobicContact CG2-CG1 4.43Å; V328-I368 HydrophobicContact CG2-CD1 3.29Å
329N78.9Confident87Confident134 Ų13455.2 Ų55.272%0.71730%0.301SS*.Hα-helixtrans-77.9-22.5-177.9-67-20.9000112.9F327F327-N329 PolarHBondContact O-N 3.41Å
330A81.8Confident86.6Confident46 Ų4660 Ų6038%0.3832%0.321SS..Hα-helixtrans-94.2-10.4-174.200000114.8Y159 F327 S332Y159-A330 HydrophobicContact CE2-CB 4.45Å; Y159-A330 WeakPolarHBondContact OH-CB 3.45Å; Y159-A330 PolarHBondContact OH-O 3.29Å; F327-A330 PolarHBondContact O-N 2.87Å; A330-S332 PolarHBondContact O-N 3.27Å
331I84.4Confident86.1Confident14 Ų1461.1 Ų61.17%0.07233%0.328CS..  trans-72.7108.1171.2-63.8165.7000109.8Y159 F327 A357 L360 K361 L364Y159-I331 HydrophobicContact CD2-CG1 4.04Å; Y159-I331 HydrophobicContact CE2-CG1 3.77Å; F327-I331 PolarHBondContact O-N 2.85Å; I331-A357 HydrophobicContact CG2-CB 3.96Å; I331-L360 HydrophobicContact CD1-CD2 4.41Å; I331-K361 HydrophobicContact CB-CD 4.45Å; I331-K361 HydrophobicContact CG2-CB 4.39Å; I331-K361 PolarHBondContact O-NZ 2.97Å; I331-L364 HydrophobicContact CD1-CD2 3.75Å
332S82.5Confident85.6Confident51 Ų5164.3 Ų64.336%0.35734%0.342SS..  trans-97.8166.7168.260.30000111.8A330 E334 H335 A357A330-S332 PolarHBondContact O-N 3.27Å; S332-E334 WeakPolarHBondContact CB-O 3.23Å; S332-E334 PolarHBondContact OG-O 3.08Å; S332-H335 PolarHBondContact OG-CE1 3.2Å; S332-H335 PolarHBondContact OG-ND1 3.36Å; S332-A357 WeakPolarHBondContact O-CB 3.29Å
333F87.2Confident85.1Confident53 Ų5369.7 Ų69.723%0.23236%0.358CS..SBendtrans-91.3-37.9171.7174.2-110.7000111.9T353 H354 Y358F333-T353 HydrophobicContact CD1-CG2 4.37Å; F333-T353 HydrophobicContact CE1-CG2 3.7Å; F333-T353 HydrophobicContact CZ-CG2 3.96Å; F333-T353 CarbonylContact O-C 3.59Å; F333-T353 WeakPolarHBondContact O-CA 3.43Å; F333-H354 WeakPolarHBondContact CD2-O 3.31Å; F333-H354 PolarHBondContact O-N 3.46Å; F333-Y358 HydrophobicContact CB-CE2 3.81Å; F333-Y358 HydrophobicContact CD1-CE2 4.32Å; F333-Y358 AromaticContact CD2-CD2 3.96Å; F333-Y358 HydrophobicContact CD2-CD2 3.96Å; F333-Y358 AromaticContact CD2-CE2 3.5Å; F333-Y358 HydrophobicContact CD2-CE2 3.5Å; F333-Y358 HydrophobicContact CE2-CE2 4.13Å; F333-Y358 HydrophobicContact CG-CD2 4.46Å; F333-Y358 AromaticContact CG-CE2 3.61Å; F333-Y358 HydrophobicContact CG-CE2 3.61Å
334E87.7Confident84.7Confident113 Ų11373.2 Ų73.253%0.52838%0.379SS..EExtended strand (participates in β ladder)trans-96.4146.7175.5-71.2130.5-155.400111.6S332 C352 T353S332-E334 WeakPolarHBondContact CB-O 3.23Å; S332-E334 PolarHBondContact OG-O 3.08Å; E334-C352 CarbonylContact C-O 3.58Å; E334-C352 WeakPolarHBondContact CA-O 3.34Å; E334-T353 HydrophobicContact CG-CG2 4.37Å
335H89.3Confident84.3Confident27 Ų2773.8 Ų73.813%0.12538%0.382CS..EExtended strand (participates in β ladder)trans-141.2131.1174.5-63.9-72.1000110.2A155 L156 S332 C352A155-H335 HydrophobicContact CB-CB 4.46Å; L156-H335 WeakPolarHBondContact CD2-NE2 3.42Å; S332-H335 PolarHBondContact OG-CE1 3.2Å; S332-H335 PolarHBondContact OG-ND1 3.36Å; H335-C352 PolarHBondContact N-O 3.47Å; H335-C352 WeakPolarHBondContact O-CB 3.4Å; H335-C352 PolarHBondContact O-N 3.33Å
336I88.9Confident84Confident106 Ų10674.3 Ų74.354%0.54439%0.392SS..EExtended strand (participates in β ladder)trans-85126.9170.6-60.7174.1000108.7Q349I336-Q349 HydrophobicContact CG2-CG 3.92Å
337C89.8Confident83.9Confident3 Ų371.4 Ų71.42%0.0237%0.373CS..EExtended strand (participates in β ladder)trans-116.5124.5179-178.80000110.5C151 A155 P339 F350C151-C337 WeakPolarHBondContact CA-SG 3.47Å; C151-C337 HydrophobicContact CB-CB 3.7Å; C151-C337 WeakPolarHBondContact CB-SG 3.21Å; C151-C337 WeakPolarHBondContact SG-CB 3.47Å; C151-C337 CovalentContact SG-SG 2.03Å; C151-C337 PolarHBondContact SG-SG 2.81Å; A155-C337 HydrophobicContact CB-CB 3.77Å; C337-P339 VanDerWaalsContact C-CD 3.45Å; C337-P339 WeakPolarHBondContact O-CD 3.36Å; C337-F350 HydrophobicContact CB-CB 4.4Å; C337-F350 PolarHBondContact N-O 2.69Å; C337-F350 PolarHBondContact O-N 3.21Å
338N88.4Confident83.8Confident108 Ų10872 Ų7258%0.57838%0.38SS*.  trans-115.175.5175.2-65.2-7.7000109.9T348 Q349N338-T348 WeakPolarHBondContact CA-O 3.27Å; N338-Q349 WeakPolarHBondContact OD1-CG 3.29Å
339P84.3Confident84.1Confident4 Ų473.6 Ų73.63%0.02639%0.386CS..  trans-76.5138.3-177.633.1-32.8000110.4M150 L154 C337 V341 F350M150-P339 HydrophobicContact CG-CB 4.07Å; L154-P339 HydrophobicContact CD1-CB 4.28Å; C337-P339 VanDerWaalsContact C-CD 3.45Å; C337-P339 WeakPolarHBondContact O-CD 3.36Å; P339-V341 HydrophobicContact CB-CG1 4.43Å; P339-V341 HydrophobicContact CB-CG2 3.81Å; P339-V341 HydrophobicContact CG-CG2 3.77Å; P339-V341 PolarHBondContact O-N 2.89Å; P339-F350 HydrophobicContact CG-CD2 3.64Å; P339-F350 HydrophobicContact CG-CE2 3.72Å
340K83.9Confident84.6Confident215 Ų21567.2 Ų67.294%0.93535%0.352SS*.SBendtrans-77.155-179.2-62.9-176.6178.8-178.70112.5
341V82.9Confident85Confident24 Ų2469.9 Ų69.915%0.14536%0.356CS..  trans-130.216.7-170.4-57.60000113.2F146 P339 H343 L344 I345F146-V341 HydrophobicContact CE1-CG1 4.4Å; P339-V341 HydrophobicContact CB-CG1 4.43Å; P339-V341 HydrophobicContact CB-CG2 3.81Å; P339-V341 HydrophobicContact CG-CG2 3.77Å; P339-V341 PolarHBondContact O-N 2.89Å; V341-H343 VanDerWaalsContact C-N 3.27Å; V341-H343 PolarHBondContact O-N 3.11Å; V341-L344 WeakPolarHBondContact O-CB 3.39Å; V341-L344 PolarHBondContact O-N 2.94Å; V341-I345 HydrophobicContact CB-CD1 3.94Å; V341-I345 HydrophobicContact CG2-CD1 3.49Å; V341-I345 VanDerWaalsContact CG2-CD1 3.49Å; V341-I345 PolarHBondContact O-N 3.37Å
342E80.1Confident85.3Confident118 Ų11869.3 Ų69.355%0.55135%0.354SS*.Hα-helixtrans-49.1-44.3-179.5-176.7176.3-164.100112.8L344 I345 G346 T348E342-L344 PolarHBondContact O-N 3.45Å; E342-L344 VanDerWaalsContact O-N 3.13Å; E342-I345 PolarHBondContact O-N 3.43Å; E342-G346 WeakPolarHBondContact O-CA 3.27Å; E342-G346 PolarHBondContact O-N 3.45Å; E342-T348 HydrophobicContact CB-CG2 4.26Å; E342-T348 HydrophobicContact CG-CG2 3.86Å; E342-T348 VanDerWaalsContact OE1-CG2 3.27Å; E342-T348 WeakPolarHBondContact OE1-CG2 3.25Å; E342-T348 WeakPolarHBondContact OE2-CG2 3.45Å
343H80.1Confident85.7Confident196 Ų19668.8 Ų68.891%0.90735%0.348SS*.Hα-helixtrans-59.7-23.2176.8-173.7-62.8000114.2V341V341-H343 VanDerWaalsContact C-N 3.27Å; V341-H343 PolarHBondContact O-N 3.11Å
344L80.5Confident85.8Confident111 Ų11166.3 Ų66.358%0.58134%0.338SS*.Hα-helixtrans-95.4-22.8-176.4-165.768.4000112.9Q143 F146 V341 E342Q143-L344 PolarHBondContact NE2-O 3.3Å; F146-L344 HydrophobicContact CD1-CD2 4.49Å; F146-L344 HydrophobicContact CE1-CD2 3.88Å; F146-L344 HydrophobicContact CZ-CD2 4.19Å; V341-L344 WeakPolarHBondContact O-CB 3.39Å; V341-L344 PolarHBondContact O-N 2.94Å; E342-L344 PolarHBondContact O-N 3.45Å; E342-L344 VanDerWaalsContact O-N 3.13Å
345I81.4Confident85.6Confident12 Ų1264.5 Ų64.56%0.06233%0.332CS..Hα-helixtrans-137.6-18-160.8-70.8145.6000113.1L139 F146 I147 V341 E342 Y347 F350L139-I345 HydrophobicContact CD1-CG2 4.5Å; L139-I345 HydrophobicContact CD2-CG2 3.87Å; L139-I345 WeakPolarHBondContact CD2-O 3.33Å; F146-I345 HydrophobicContact CD1-CD1 4Å; F146-I345 HydrophobicContact CE1-CD1 4.07Å; I147-I345 HydrophobicContact CD1-CD1 3.47Å; I147-I345 VanDerWaalsContact CD1-CD1 3.47Å; I147-I345 HydrophobicContact CD1-CG1 3.81Å; I147-I345 HydrophobicContact CD1-CG2 3.93Å; I147-I345 HydrophobicContact CG1-CD1 3.94Å; I147-I345 HydrophobicContact CG1-CG2 4.38Å; V341-I345 HydrophobicContact CB-CD1 3.94Å; V341-I345 HydrophobicContact CG2-CD1 3.49Å; V341-I345 VanDerWaalsContact CG2-CD1 3.49Å; V341-I345 PolarHBondContact O-N 3.37Å; E342-I345 PolarHBondContact O-N 3.43Å; I345-Y347 HydrophobicContact CG2-CD2 4.42Å; I345-Y347 PolarHBondContact O-N 2.81Å; I345-F350 HydrophobicContact CG2-CE1 4.35Å; I345-F350 HydrophobicContact CG2-CZ 3.7Å
346G79.3Confident85.4Confident58 Ų5864.5 Ų64.560%0.59833%0.332SS*.SBendtrans79.76.2176.700000116.2E342E342-G346 WeakPolarHBondContact O-CA 3.27Å; E342-G346 PolarHBondContact O-N 3.45Å
347Y83.6Confident85.2Confident48 Ų4859.6 Ų59.619%0.18831%0.307CS..  trans-132.5142.8-179.8-67.6-80.1000111.8P56 L58 L139 I345P56-Y347 HydrophobicContact CB-CD1 3.63Å; P56-Y347 HydrophobicContact CB-CD2 3.74Å; P56-Y347 HydrophobicContact CB-CE1 3.95Å; P56-Y347 HydrophobicContact CB-CE2 4.03Å; P56-Y347 HydrophobicContact CB-CG 3.51Å; P56-Y347 HydrophobicContact CG-CD2 4.23Å; P56-Y347 HydrophobicContact CG-CE1 4.46Å; P56-Y347 HydrophobicContact CG-CE2 4.1Å; P56-Y347 HydrophobicContact CG-CG 4.45Å; L58-Y347 HydrophobicContact CG-CE1 4.22Å; L139-Y347 HydrophobicContact CD1-CD2 4.06Å; L139-Y347 HydrophobicContact CD1-CE2 3.98Å; L139-Y347 HydrophobicContact CD2-CD2 4.43Å; L139-Y347 HydrophobicContact CD2-CE2 4.39Å; L139-Y347 HydrophobicContact CG-CD2 4.48Å; L139-Y347 HydrophobicContact CG-CE2 4.14Å; I345-Y347 HydrophobicContact CG2-CD2 4.42Å; I345-Y347 PolarHBondContact O-N 2.81Å
348T82.7Confident85.1Confident51 Ų5166.6 Ų66.631%0.31333%0.334SS..SBendtrans-99.4-29.5-17647.50000114.4N338 E342N338-T348 WeakPolarHBondContact CA-O 3.27Å; E342-T348 HydrophobicContact CB-CG2 4.26Å; E342-T348 HydrophobicContact CG-CG2 3.86Å; E342-T348 VanDerWaalsContact OE1-CG2 3.27Å; E342-T348 WeakPolarHBondContact OE1-CG2 3.25Å; E342-T348 WeakPolarHBondContact OE2-CG2 3.45Å
349Q88.2Confident85.1Confident54 Ų5465 Ų6525%0.25233%0.325SS..  trans-130.4133.7-174.7177.5174.9-5.300110.5V57 I336 N338V57-Q349 HydrophobicContact CB-CB 4.41Å; V57-Q349 HydrophobicContact CB-CG 4.11Å; V57-Q349 HydrophobicContact CG2-CG 3.96Å; V57-Q349 PolarHBondContact N-O 3.16Å; I336-Q349 HydrophobicContact CG2-CG 3.92Å; N338-Q349 WeakPolarHBondContact OD1-CG 3.29Å
350F89.3Confident85.2Confident0 Ų065.4 Ų65.40%033%0.326CS..EExtended strand (participates in β ladder)trans-127.1143.9176.6-61.7-98.7000109.9C54 L55 P56 I147 C337 P339 I345C54-F350 HydrophobicContact CB-CB 4.35Å; L55-F350 CarbonylContact O-C 3.58Å; L55-F350 VanDerWaalsContact O-CA 3.27Å; L55-F350 WeakPolarHBondContact O-CA 3.45Å; P56-F350 HydrophobicContact CB-CD1 3.94Å; P56-F350 HydrophobicContact CB-CE1 3.73Å; P56-F350 HydrophobicContact CB-CZ 4.49Å; P56-F350 HydrophobicContact CG-CE1 4.46Å; I147-F350 HydrophobicContact CB-CE1 4.47Å; I147-F350 HydrophobicContact CG1-CD1 4.41Å; I147-F350 HydrophobicContact CG1-CE1 3.83Å; I147-F350 HydrophobicContact CG1-CE2 4.46Å; I147-F350 HydrophobicContact CG1-CZ 3.86Å; I147-F350 HydrophobicContact CG2-CB 4.42Å; I147-F350 HydrophobicContact CG2-CD1 3.67Å; I147-F350 HydrophobicContact CG2-CD2 4.29Å; I147-F350 HydrophobicContact CG2-CE1 3.95Å; I147-F350 HydrophobicContact CG2-CG 3.86Å; I147-F350 HydrophobicContact CG2-CZ 4.37Å; C337-F350 HydrophobicContact CB-CB 4.4Å; C337-F350 PolarHBondContact N-O 2.69Å; C337-F350 PolarHBondContact O-N 3.21Å; P339-F350 HydrophobicContact CG-CD2 3.64Å; P339-F350 HydrophobicContact CG-CE2 3.72Å; I345-F350 HydrophobicContact CG2-CE1 4.35Å; I345-F350 HydrophobicContact CG2-CZ 3.7Å
351E90.2Very high85.4Confident101 Ų10158.2 Ų58.247%0.47230%0.295SS..EExtended strand (participates in β ladder)trans-104.1125.2171.9-175.8162.2-134.800108.5C54 L55 V57C54-E351 CarbonylContact C-O 3.56Å; C54-E351 VanDerWaalsContact CA-O 3.31Å; C54-E351 WeakPolarHBondContact CA-O 3.3Å; L55-E351 PolarHBondContact N-O 3.18Å; L55-E351 PolarHBondContact O-N 3.36Å; V57-E351 HydrophobicContact CG2-CB 4.01Å
352C91.1Very high85.8Confident2 Ų264.1 Ų64.11%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-123.4130.1-168.8-62.50000111.2V52 V53 C54 C151 E334 H335V52-C352 HydrophobicContact CG1-CB 3.78Å; V53-C352 CarbonylContact O-C 3.59Å; V53-C352 VanDerWaalsContact O-CA 3.32Å; V53-C352 WeakPolarHBondContact O-CA 3.42Å; C54-C352 HydrophobicContact CB-CB 4.13Å; C54-C352 WeakPolarHBondContact CB-SG 3.2Å; C54-C352 WeakPolarHBondContact SG-CB 3.4Å; C54-C352 CovalentContact SG-SG 2.04Å; C54-C352 PolarHBondContact SG-SG 2.66Å; C151-C352 VanDerWaalsContact CB-SG 3.58Å; E334-C352 CarbonylContact C-O 3.58Å; E334-C352 WeakPolarHBondContact CA-O 3.34Å; H335-C352 PolarHBondContact N-O 3.47Å; H335-C352 WeakPolarHBondContact O-CB 3.4Å; H335-C352 PolarHBondContact O-N 3.33Å
353T90.7Very high86.3Confident40 Ų4059.5 Ų59.525%0.24530%0.298CS..EExtended strand (participates in β ladder)trans-102.3138.7176.2560000111.7V52 V53 F333 E334V52-T353 WeakPolarHBondContact CA-O 3.49Å; V53-T353 PolarHBondContact N-O 3.48Å; V53-T353 PolarHBondContact O-N 3.28Å; V53-T353 PolarHBondContact O-OG1 2.98Å; F333-T353 HydrophobicContact CD1-CG2 4.37Å; F333-T353 HydrophobicContact CE1-CG2 3.7Å; F333-T353 HydrophobicContact CZ-CG2 3.96Å; F333-T353 CarbonylContact O-C 3.59Å; F333-T353 WeakPolarHBondContact O-CA 3.43Å; E334-T353 HydrophobicContact CG-CG2 4.37Å
354H88.9Confident86.8Confident1 Ų150.4 Ų50.41%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-107.697.6177.7-173.7-133.8000111.5D50 L156 S160 F333 M356 A357D50-H354 IonicContact OD1-CD2 3.81Å; D50-H354 IonicContact OD1-CE1 3.57Å; D50-H354 IonicContact OD1-NE2 3.29Å; D50-H354 PolarHBondContact OD1-NE2 3.28Å; L156-H354 HydrophobicContact CD2-CB 4.15Å; S160-H354 PolarHBondContact OG-CE1 2.96Å; S160-H354 PolarHBondContact OG-ND1 3.06Å; F333-H354 WeakPolarHBondContact CD2-O 3.31Å; F333-H354 PolarHBondContact O-N 3.46Å; H354-M356 PolarHBondContact O-N 2.81Å; H354-A357 HydrophobicContact CB-CB 4.27Å; H354-A357 PolarHBondContact ND1-N 2.81Å; H354-A357 WeakPolarHBondContact O-CB 3.49Å; H354-A357 PolarHBondContact O-N 3.02Å
355N83.9Confident87.4Confident75 Ų7549.3 Ų49.340%0.40125%0.25SC..THydrogen-bonded Turntrans-57.5-26.9-174.4-72-42.6000114.3Q51Q51-N355 PolarHBondContact O-ND2 2.93Å
356M85.5Confident87.9Confident27 Ų2751.3 Ų51.313%0.13327%0.265CS..THydrogen-bonded Turntrans-86.9-11.9179.8-70.8-62.2101.300114.6M45 K49 H354 Y358 M359 L360M45-M356 HydrophobicContact CE-SD 3.92Å; K49-M356 HydrophobicContact CB-CE 3.78Å; K49-M356 HydrophobicContact CB-SD 3.88Å; K49-M356 HydrophobicContact CD-CE 4.44Å; H354-M356 PolarHBondContact O-N 2.81Å; M356-Y358 PolarHBondContact O-N 3.1Å; M356-M359 PolarHBondContact O-N 2.85Å; M356-L360 WeakPolarHBondContact O-CB 3.33Å; M356-L360 PolarHBondContact O-N 3.36Å
357A84.9Confident88.5Confident3 Ų348.6 Ų48.63%0.02524%0.236CC..Hα-helixtrans-51.4-48.1-172.300000114.1I331 S332 H354 M359 L360 K361I331-A357 HydrophobicContact CG2-CB 3.96Å; S332-A357 WeakPolarHBondContact O-CB 3.29Å; H354-A357 HydrophobicContact CB-CB 4.27Å; H354-A357 PolarHBondContact ND1-N 2.81Å; H354-A357 WeakPolarHBondContact O-CB 3.49Å; H354-A357 PolarHBondContact O-N 3.02Å; A357-M359 PolarHBondContact O-N 3.05Å; A357-L360 PolarHBondContact O-N 2.67Å; A357-K361 VanDerWaalsContact O-CB 3.27Å; A357-K361 WeakPolarHBondContact O-CB 3.33Å; A357-K361 PolarHBondContact O-N 3.32Å
358Y87Confident88.9Confident151 Ų15147.5 Ų47.559%0.59223%0.233SC*.Hα-helixtrans-66.5-36.3179.6-66.8-71.4000113.5F333 M356 K362F333-Y358 HydrophobicContact CB-CE2 3.81Å; F333-Y358 HydrophobicContact CD1-CE2 4.32Å; F333-Y358 AromaticContact CD2-CD2 3.96Å; F333-Y358 HydrophobicContact CD2-CD2 3.96Å; F333-Y358 AromaticContact CD2-CE2 3.5Å; F333-Y358 HydrophobicContact CD2-CE2 3.5Å; F333-Y358 HydrophobicContact CE2-CE2 4.13Å; F333-Y358 HydrophobicContact CG-CD2 4.46Å; F333-Y358 AromaticContact CG-CE2 3.61Å; F333-Y358 HydrophobicContact CG-CE2 3.61Å; M356-Y358 PolarHBondContact O-N 3.1Å; Y358-K362 WeakPolarHBondContact O-CG 3.43Å; Y358-K362 PolarHBondContact O-N 3.2Å
359M88.2Confident89.5Confident75 Ų7548.5 Ų48.537%0.36924%0.243SC..Hα-helixtrans-74.3-42.8177.4-73.4-59-6400111.1M45 M356 A357 K361 K362 L363M45-M359 HydrophobicContact CE-CB 4.07Å; M45-M359 HydrophobicContact CE-CE 3.99Å; M45-M359 HydrophobicContact CE-CG 4.08Å; M45-M359 HydrophobicContact SD-CE 4.1Å; M356-M359 PolarHBondContact O-N 2.85Å; A357-M359 PolarHBondContact O-N 3.05Å; M359-K361 VanDerWaalsContact C-N 3.34Å; M359-K361 PolarHBondContact O-N 3.36Å; M359-K362 PolarHBondContact O-N 3.05Å; M359-L363 WeakPolarHBondContact O-CB 3.41Å; M359-L363 WeakPolarHBondContact O-CG 3.23Å; M359-L363 PolarHBondContact O-N 3.04Å
360L87.1Confident89.7Confident12 Ų1247.4 Ų47.46%0.06324%0.238CC..Hα-helixtrans-60.9-42.6176-164.872.1000111.2S160 F163 P164 I331 M356 A357 L363 L364S160-L360 WeakPolarHBondContact O-CD2 3.37Å; F163-L360 HydrophobicContact CD1-CD1 3.83Å; F163-L360 HydrophobicContact CD1-CG 4.45Å; P164-L360 HydrophobicContact CG-CD1 4.37Å; I331-L360 HydrophobicContact CD1-CD2 4.41Å; M356-L360 WeakPolarHBondContact O-CB 3.33Å; M356-L360 PolarHBondContact O-N 3.36Å; A357-L360 PolarHBondContact O-N 2.67Å; L360-L363 PolarHBondContact O-N 2.82Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.32Å; L360-L364 PolarHBondContact O-N 3.4Å
361K88.8Confident90Very high63 Ų6347.4 Ų47.427%0.27424%0.238SC..Hα-helixtrans-62.9-41.5176.2-171.4160.8-179.4145.50112.5V328 I331 A357 M359 I365V328-K361 WeakPolarHBondContact O-CE 3.33Å; V328-K361 PolarHBondContact O-NZ 3.38Å; I331-K361 HydrophobicContact CB-CD 4.45Å; I331-K361 HydrophobicContact CG2-CB 4.39Å; I331-K361 PolarHBondContact O-NZ 2.97Å; A357-K361 VanDerWaalsContact O-CB 3.27Å; A357-K361 WeakPolarHBondContact O-CB 3.33Å; A357-K361 PolarHBondContact O-N 3.32Å; M359-K361 VanDerWaalsContact C-N 3.34Å; M359-K361 PolarHBondContact O-N 3.36Å; K361-I365 HydrophobicContact CG-CD1 4.24Å; K361-I365 WeakPolarHBondContact O-CD1 3.3Å; K361-I365 VanDerWaalsContact O-CG1 3.26Å; K361-I365 WeakPolarHBondContact O-CG1 3.48Å; K361-I365 PolarHBondContact O-N 3.12Å
362K90.9Very high90.1Very high148 Ų14844.2 Ų44.264%0.64323%0.227SC*.Hα-helixtrans-65.1-43.4173.8-74177.2179.4-178.60112.3Y358 M359 I365 S366Y358-K362 WeakPolarHBondContact O-CG 3.43Å; Y358-K362 PolarHBondContact O-N 3.2Å; M359-K362 PolarHBondContact O-N 3.05Å; K362-I365 PolarHBondContact O-N 2.98Å; K362-S366 PolarHBondContact O-N 3.3Å
363L91.1Very high90.3Very high21 Ų2146.9 Ų46.911%0.1124%0.243CC..Hα-helixtrans-65.7-39.1177.1-73.3165.5000112.2V38 F41 A42 M45 M359 L360 S366 Y367V38-L363 HydrophobicContact CG1-CD2 4.42Å; F41-L363 HydrophobicContact CD1-CD1 4.38Å; F41-L363 HydrophobicContact CD1-CD2 3.86Å; F41-L363 HydrophobicContact CE1-CD1 4.35Å; F41-L363 HydrophobicContact CE1-CD2 4.04Å; A42-L363 HydrophobicContact CB-CD1 4.01Å; M45-L363 HydrophobicContact SD-CD1 4.22Å; M359-L363 WeakPolarHBondContact O-CB 3.41Å; M359-L363 WeakPolarHBondContact O-CG 3.23Å; M359-L363 PolarHBondContact O-N 3.04Å; L360-L363 PolarHBondContact O-N 2.82Å; L363-S366 PolarHBondContact O-N 3.15Å; L363-Y367 WeakPolarHBondContact O-CB 3.25Å; L363-Y367 PolarHBondContact O-N 3.17Å
364L90.4Very high90.5Very high5 Ų545.1 Ų45.13%0.02623%0.232CC..Hα-helixtrans-63.8-44.9174.8177.661.4000111.6F163 T324 V328 I331 L360 S366 Y367 I368F163-L364 HydrophobicContact CD2-CD1 3.78Å; F163-L364 HydrophobicContact CE1-CB 4.33Å; F163-L364 HydrophobicContact CE1-CD1 4.45Å; F163-L364 HydrophobicContact CE2-CD1 3.39Å; F163-L364 HydrophobicContact CG-CD1 4.46Å; F163-L364 HydrophobicContact CZ-CB 4.29Å; F163-L364 HydrophobicContact CZ-CD1 3.78Å; T324-L364 HydrophobicContact CG2-CD1 4.09Å; V328-L364 HydrophobicContact CB-CD2 4.36Å; V328-L364 HydrophobicContact CG2-CD2 3.57Å; V328-L364 HydrophobicContact CG2-CG 3.75Å; I331-L364 HydrophobicContact CD1-CD2 3.75Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.32Å; L360-L364 PolarHBondContact O-N 3.4Å; L364-S366 VanDerWaalsContact C-N 3.34Å; L364-S366 PolarHBondContact O-N 2.99Å; L364-Y367 PolarHBondContact O-N 2.89Å; L364-I368 HydrophobicContact CD1-CD1 4.03Å; L364-I368 HydrophobicContact CD1-CG1 4.3Å; L364-I368 HydrophobicContact CG-CD1 3.96Å; L364-I368 WeakPolarHBondContact O-CB 2.87Å; L364-I368 VanDerWaalsContact O-CG1 3.25Å; L364-I368 WeakPolarHBondContact O-CG1 3.27Å; L364-I368 PolarHBondContact O-N 3.43Å
365I91.3Very high90.7Very high89 Ų8945 Ų4546%0.45623%0.231SC..Hα-helixtrans-62-41.7175.1-68.8163.6000111V328 K361 K362 I368 S369V328-I365 HydrophobicContact CG1-CD1 4.25Å; V328-I365 HydrophobicContact CG1-CG1 4.02Å; V328-I365 HydrophobicContact CG2-CG1 4.43Å; K361-I365 HydrophobicContact CG-CD1 4.24Å; K361-I365 WeakPolarHBondContact O-CD1 3.3Å; K361-I365 VanDerWaalsContact O-CG1 3.26Å; K361-I365 WeakPolarHBondContact O-CG1 3.48Å; K361-I365 PolarHBondContact O-N 3.12Å; K362-I365 PolarHBondContact O-N 2.98Å; I365-I368 PolarHBondContact O-N 3.43Å; I365-S369 PolarHBondContact O-N 3.46Å
366S92.5Very high91.3Very high54 Ų5448.5 Ų48.538%0.37824%0.243SC..Hα-helixtrans-62-45.9174.6179.40000112K362 L363 L364 I368 S369 L370K362-S366 PolarHBondContact O-N 3.3Å; L363-S366 PolarHBondContact O-N 3.15Å; L364-S366 VanDerWaalsContact C-N 3.34Å; L364-S366 PolarHBondContact O-N 2.99Å; S366-I368 PolarHBondContact O-N 2.95Å; S366-S369 WeakPolarHBondContact O-CB 3.15Å; S366-S369 PolarHBondContact O-N 2.96Å; S366-L370 WeakPolarHBondContact O-CG 3.32Å; S366-L370 PolarHBondContact O-N 2.76Å; S366-L370 VanDerWaalsContact O-N 3.1Å
367Y93.1Very high91.7Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-62.7-41.4176.7-176.2-101.3000112.6M35 F163 A167 I320 L363 L364 S369 L370 I371M35-Y367 HydrophobicContact CB-CE2 4.2Å; M35-Y367 HydrophobicContact CE-CE2 4.06Å; M35-Y367 HydrophobicContact CG-CE2 4.37Å; F163-Y367 AromaticContact CE2-CD1 3.84Å; F163-Y367 HydrophobicContact CE2-CD1 3.84Å; F163-Y367 HydrophobicContact CE2-CE1 4.32Å; F163-Y367 HydrophobicContact CE2-CG 4.28Å; F163-Y367 AromaticContact CZ-CD1 3.98Å; F163-Y367 HydrophobicContact CZ-CD1 3.98Å; F163-Y367 AromaticContact CZ-CG 3.95Å; F163-Y367 HydrophobicContact CZ-CG 3.95Å; A167-Y367 HydrophobicContact CB-CD2 4.27Å; A167-Y367 HydrophobicContact CB-CE1 4.15Å; A167-Y367 HydrophobicContact CB-CE2 3.8Å; A167-Y367 PolarHBondContact O-OH 3.1Å; I320-Y367 HydrophobicContact CG2-CE1 4.09Å; L363-Y367 WeakPolarHBondContact O-CB 3.25Å; L363-Y367 PolarHBondContact O-N 3.17Å; L364-Y367 PolarHBondContact O-N 2.89Å; Y367-S369 VanDerWaalsContact C-N 3.33Å; Y367-S369 PolarHBondContact O-N 2.84Å; Y367-L370 PolarHBondContact O-N 3.05Å; Y367-I371 HydrophobicContact CD1-CG1 3.99Å; Y367-I371 HydrophobicContact CE1-CD1 4.12Å; Y367-I371 HydrophobicContact CE1-CG1 3.65Å; Y367-I371 HydrophobicContact CE2-CG1 4.44Å; Y367-I371 WeakPolarHBondContact O-CB 3.24Å; Y367-I371 VanDerWaalsContact O-CG1 3.32Å; Y367-I371 WeakPolarHBondContact O-CG1 3.42Å; Y367-I371 PolarHBondContact O-N 3.12Å
368I92.2Very high92Very high25 Ų2547.8 Ų47.813%0.12824%0.239CC..Hα-helixtrans-61.3-41.8174.2-70.2164.7000110.8L321 V328 L364 I365 S366 L370 I371 C372L321-I368 HydrophobicContact CD1-CG2 3.93Å; V328-I368 HydrophobicContact CG2-CD1 3.29Å; L364-I368 HydrophobicContact CD1-CD1 4.03Å; L364-I368 HydrophobicContact CD1-CG1 4.3Å; L364-I368 HydrophobicContact CG-CD1 3.96Å; L364-I368 WeakPolarHBondContact O-CB 2.87Å; L364-I368 VanDerWaalsContact O-CG1 3.25Å; L364-I368 WeakPolarHBondContact O-CG1 3.27Å; L364-I368 PolarHBondContact O-N 3.43Å; I365-I368 PolarHBondContact O-N 3.43Å; S366-I368 PolarHBondContact O-N 2.95Å; I368-L370 PolarHBondContact O-N 3.36Å; I368-I371 PolarHBondContact O-N 2.84Å; I368-C372 WeakPolarHBondContact O-CB 3.43Å; I368-C372 PolarHBondContact O-N 3.28Å; I368-C372 PolarHBondContact O-SG 3.32Å
369S93.5Very high92.3Very high73 Ų7344.4 Ų44.451%0.5123%0.231SC..Hα-helixtrans-59.3-46.4176.1-169.40000111.9I365 S366 Y367 C372 V373I365-S369 PolarHBondContact O-N 3.46Å; S366-S369 WeakPolarHBondContact O-CB 3.15Å; S366-S369 PolarHBondContact O-N 2.96Å; Y367-S369 VanDerWaalsContact C-N 3.33Å; Y367-S369 PolarHBondContact O-N 2.84Å; S369-C372 PolarHBondContact O-N 2.91Å; S369-V373 WeakPolarHBondContact O-CG2 3.45Å; S369-V373 PolarHBondContact O-N 2.96Å
370L94.2Very high92.5Very high30 Ų3045.5 Ų45.516%0.15723%0.232CC..Hα-helixtrans-62.4-43.8175.6-61.7168.6000111.9L31 V34 M35 V38 S366 Y367 I368 C372 V373 Y374L31-L370 HydrophobicContact CD1-CB 4.09Å; L31-L370 HydrophobicContact CD1-CD2 3.61Å; L31-L370 HydrophobicContact CD1-CG 4.43Å; V34-L370 HydrophobicContact CG1-CD1 3.95Å; V34-L370 HydrophobicContact CG1-CD2 3.96Å; M35-L370 HydrophobicContact CG-CB 3.72Å; M35-L370 HydrophobicContact CG-CD1 4.03Å; M35-L370 HydrophobicContact CG-CG 4.48Å; M35-L370 HydrophobicContact SD-CB 4.38Å; V38-L370 HydrophobicContact CG2-CD1 3.95Å; S366-L370 WeakPolarHBondContact O-CG 3.32Å; S366-L370 PolarHBondContact O-N 2.76Å; S366-L370 VanDerWaalsContact O-N 3.1Å; Y367-L370 PolarHBondContact O-N 3.05Å; I368-L370 PolarHBondContact O-N 3.36Å; L370-C372 VanDerWaalsContact C-N 3.33Å; L370-C372 PolarHBondContact O-N 3.33Å; L370-V373 PolarHBondContact O-N 3.15Å; L370-Y374 WeakPolarHBondContact O-CB 3.39Å; L370-Y374 PolarHBondContact O-N 3.01Å
371I93.9Very high92.7Very high1 Ų145.3 Ų45.31%0.00523%0.231CC..Hα-helixtrans-60.9-38.7175.1-76.7-74.2000111.8M35 L174 F317 I320 Y367 I368 Y374 G375M35-I371 HydrophobicContact CE-CD1 3.39Å; M35-I371 HydrophobicContact CE-CG1 4.13Å; M35-I371 HydrophobicContact SD-CD1 4.26Å; L174-I371 HydrophobicContact CD1-CD1 4.45Å; F317-I371 HydrophobicContact CD2-CG2 3.81Å; F317-I371 VanDerWaalsContact CD2-O 3.27Å; F317-I371 WeakPolarHBondContact CD2-O 3.48Å; F317-I371 HydrophobicContact CE2-CG2 4.18Å; F317-I371 WeakPolarHBondContact CE2-O 3.49Å; I320-I371 HydrophobicContact CD1-CD1 4.04Å; I320-I371 HydrophobicContact CG2-CD1 3.97Å; I320-I371 HydrophobicContact CG2-CG1 4.1Å; I320-I371 HydrophobicContact CG2-CG2 4.11Å; Y367-I371 HydrophobicContact CD1-CG1 3.99Å; Y367-I371 HydrophobicContact CE1-CD1 4.12Å; Y367-I371 HydrophobicContact CE1-CG1 3.65Å; Y367-I371 HydrophobicContact CE2-CG1 4.44Å; Y367-I371 WeakPolarHBondContact O-CB 3.24Å; Y367-I371 VanDerWaalsContact O-CG1 3.32Å; Y367-I371 WeakPolarHBondContact O-CG1 3.42Å; Y367-I371 PolarHBondContact O-N 3.12Å; I368-I371 PolarHBondContact O-N 2.84Å; I371-Y374 PolarHBondContact O-N 3.22Å; I371-G375 PolarHBondContact O-N 2.97Å
372C93.9Very high92.8Very high33 Ų3343.5 Ų43.522%0.22322%0.224CC..Hα-helixtrans-65.4-46.5175.3-74.80000111.9I368 S369 L370 Y374 G375 F376I368-C372 WeakPolarHBondContact O-CB 3.43Å; I368-C372 PolarHBondContact O-N 3.28Å; I368-C372 PolarHBondContact O-SG 3.32Å; S369-C372 PolarHBondContact O-N 2.91Å; L370-C372 VanDerWaalsContact C-N 3.33Å; L370-C372 PolarHBondContact O-N 3.33Å; C372-Y374 VanDerWaalsContact C-N 3.32Å; C372-Y374 PolarHBondContact O-N 3.42Å; C372-G375 PolarHBondContact O-N 3.07Å; C372-G375 VanDerWaalsContact O-N 3.16Å; C372-F376 HydrophobicContact CB-CE2 4.47Å; C372-F376 WeakPolarHBondContact O-CD2 3.27Å; C372-F376 PolarHBondContact O-N 3.26Å
373V95.2Very high92.9Very high59 Ų5942.3 Ų42.336%0.35822%0.219SC..Hα-helixtrans-59.9-44175.4177.20000110.7F27 L31 S369 L370 G375 F376 I377F27-V373 HydrophobicContact CE1-CG1 4.26Å; L31-V373 HydrophobicContact CD2-CB 4.04Å; L31-V373 HydrophobicContact CD2-CG1 3.78Å; S369-V373 WeakPolarHBondContact O-CG2 3.45Å; S369-V373 PolarHBondContact O-N 2.96Å; L370-V373 PolarHBondContact O-N 3.15Å; V373-G375 VanDerWaalsContact C-N 3.32Å; V373-G375 PolarHBondContact O-N 3.18Å; V373-F376 PolarHBondContact O-N 3.34Å; V373-I377 HydrophobicContact CG1-CD1 4.06Å; V373-I377 WeakPolarHBondContact O-CD1 3.41Å; V373-I377 WeakPolarHBondContact O-CG1 3.19Å; V373-I377 PolarHBondContact O-N 3.19Å
374Y94.4Very high92.9Very high2 Ų242.2 Ų42.21%0.00822%0.217CC..Hα-helixtrans-59-43.9174.9-168.3-80.9000111.3M28 L31 M35 L174 K313 L370 I371 C372 I377 C378M28-Y374 HydrophobicContact CB-CE2 4.11Å; M28-Y374 HydrophobicContact CE-CD1 3.57Å; M28-Y374 HydrophobicContact CE-CD2 3.83Å; M28-Y374 HydrophobicContact CE-CE1 3.4Å; M28-Y374 VanDerWaalsContact CE-CE1 3.4Å; M28-Y374 HydrophobicContact CE-CE2 3.68Å; M28-Y374 HydrophobicContact CE-CG 3.76Å; M28-Y374 VanDerWaalsContact CE-CZ 3.44Å; M28-Y374 VanDerWaalsContact CE-O 3.24Å; M28-Y374 WeakPolarHBondContact CE-O 3.47Å; M28-Y374 HydrophobicContact CG-CE2 4.45Å; M28-Y374 HydrophobicContact SD-CD1 4.12Å; M28-Y374 HydrophobicContact SD-CD2 3.35Å; M28-Y374 WeakPolarHBondContact SD-CD2 3.15Å; M28-Y374 HydrophobicContact SD-CE1 4.28Å; M28-Y374 HydrophobicContact SD-CE2 3.55Å; M28-Y374 VanDerWaalsContact SD-CE2 3.55Å; M28-Y374 HydrophobicContact SD-CG 3.65Å; L31-Y374 HydrophobicContact CD2-CD2 4.13Å; L31-Y374 HydrophobicContact CD2-CG 4.42Å; L31-Y374 HydrophobicContact CG-CD2 4.29Å; M35-Y374 HydrophobicContact SD-CD2 4.34Å; L174-Y374 HydrophobicContact CD1-CD1 4.44Å; L174-Y374 HydrophobicContact CD1-CE1 4.12Å; L174-Y374 HydrophobicContact CD2-CE1 3.77Å; L174-Y374 HydrophobicContact CG-CE1 4.42Å; K313-Y374 HydrophobicContact CB-CE1 4.5Å; L370-Y374 WeakPolarHBondContact O-CB 3.39Å; L370-Y374 PolarHBondContact O-N 3.01Å; I371-Y374 PolarHBondContact O-N 3.22Å; C372-Y374 VanDerWaalsContact C-N 3.32Å; C372-Y374 PolarHBondContact O-N 3.42Å; Y374-I377 PolarHBondContact O-N 2.81Å; Y374-C378 WeakPolarHBondContact O-CB 3.39Å; Y374-C378 PolarHBondContact O-N 3Å
375G93.6Very high92.9Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-60.8-44.6176.200000114.1F317 I371 C372 V373 I377 C378 L379F317-G375 VanDerWaalsContact CD2-CA 3.48Å; F317-G375 VanDerWaalsContact CG-CA 3.46Å; I371-G375 PolarHBondContact O-N 2.97Å; C372-G375 PolarHBondContact O-N 3.07Å; C372-G375 VanDerWaalsContact O-N 3.16Å; V373-G375 VanDerWaalsContact C-N 3.32Å; V373-G375 PolarHBondContact O-N 3.18Å; G375-I377 VanDerWaalsContact C-N 3.34Å; G375-I377 PolarHBondContact O-N 3.26Å; G375-C378 WeakPolarHBondContact O-CB 3.33Å; G375-C378 PolarHBondContact O-N 3.09Å; G375-L379 WeakPolarHBondContact O-CG 3.4Å; G375-L379 PolarHBondContact O-N 3.12Å
376F94.8Very high92.7Very high148 Ų14844.3 Ų44.365%0.64922%0.223SC*.Hα-helixtrans-62.5-40.2177-75.8-62.9000112.3C372 V373 L379 Y380C372-F376 HydrophobicContact CB-CE2 4.47Å; C372-F376 WeakPolarHBondContact O-CD2 3.27Å; C372-F376 PolarHBondContact O-N 3.26Å; V373-F376 PolarHBondContact O-N 3.34Å; F376-L379 PolarHBondContact O-N 2.99Å; F376-Y380 WeakPolarHBondContact O-CB 3.46Å; F376-Y380 PolarHBondContact O-N 3.18Å
377I93.9Very high92.5Very high15 Ų1550.4 Ų50.48%0.07724%0.238CC..Hα-helixtrans-67.2-42.5175.6-56.1153.1000110.4W24 F27 M28 L31 V373 Y374 G375 L379 Y380 T381W24-I377 HydrophobicContact CB-CG2 3.79Å; F27-I377 HydrophobicContact CD1-CD1 3.41Å; F27-I377 VanDerWaalsContact CD1-CD1 3.41Å; F27-I377 HydrophobicContact CD1-CG1 4.25Å; F27-I377 HydrophobicContact CE1-CD1 3.63Å; F27-I377 HydrophobicContact CE1-CG1 4.49Å; F27-I377 HydrophobicContact CG-CD1 4.43Å; M28-I377 HydrophobicContact CE-CB 4.07Å; M28-I377 HydrophobicContact CE-CG2 4.16Å; M28-I377 HydrophobicContact CG-CB 4.19Å; M28-I377 HydrophobicContact CG-CD1 4.26Å; M28-I377 HydrophobicContact CG-CG2 3.61Å; M28-I377 HydrophobicContact SD-CB 3.63Å; M28-I377 HydrophobicContact SD-CD1 3.63Å; M28-I377 HydrophobicContact SD-CG1 4.27Å; M28-I377 HydrophobicContact SD-CG2 3.76Å; L31-I377 HydrophobicContact CD2-CD1 4.1Å; V373-I377 HydrophobicContact CG1-CD1 4.06Å; V373-I377 WeakPolarHBondContact O-CD1 3.41Å; V373-I377 WeakPolarHBondContact O-CG1 3.19Å; V373-I377 PolarHBondContact O-N 3.19Å; Y374-I377 PolarHBondContact O-N 2.81Å; G375-I377 VanDerWaalsContact C-N 3.34Å; G375-I377 PolarHBondContact O-N 3.26Å; I377-L379 VanDerWaalsContact C-N 3.33Å; I377-L379 PolarHBondContact O-N 3.34Å; I377-Y380 PolarHBondContact O-N 3.02Å; I377-T381 HydrophobicContact CG2-CG2 4.48Å; I377-T381 WeakPolarHBondContact O-CG2 3.2Å; I377-T381 PolarHBondContact O-N 3.35Å; I377-T381 PolarHBondContact O-OG1 2.95Å
378C92.6Very high92.2Very high0 Ų053.6 Ų53.60%025%0.254CS..Hα-helixtrans-56.8-42.6172.7-100.50000113.3M28 K313 T314 Y374 G375 T381 L382M28-C378 HydrophobicContact CE-CB 4.16Å; M28-C378 WeakPolarHBondContact CE-SG 3.38Å; K313-C378 WeakPolarHBondContact CB-SG 3.44Å; T314-C378 WeakPolarHBondContact OG1-CB 3.45Å; Y374-C378 WeakPolarHBondContact O-CB 3.39Å; Y374-C378 PolarHBondContact O-N 3Å; G375-C378 WeakPolarHBondContact O-CB 3.33Å; G375-C378 PolarHBondContact O-N 3.09Å; C378-T381 PolarHBondContact O-N 3.07Å; C378-T381 PolarHBondContact O-OG1 3.3Å; C378-L382 PolarHBondContact O-N 3.22Å
379L92.6Very high91.8Very high79 Ų7957 Ų5741%0.41428%0.278SS..Hα-helixtrans-69.8-38.4177.9-71.2168.6000111.7T314 F317 G375 F376 I377 F383T314-L379 HydrophobicContact CG2-CD2 3.78Å; T314-L379 HydrophobicContact CG2-CG 4.39Å; F317-L379 HydrophobicContact CE1-CD1 4.22Å; G375-L379 WeakPolarHBondContact O-CG 3.4Å; G375-L379 PolarHBondContact O-N 3.12Å; F376-L379 PolarHBondContact O-N 2.99Å; I377-L379 VanDerWaalsContact C-N 3.33Å; I377-L379 PolarHBondContact O-N 3.34Å; L379-F383 WeakPolarHBondContact O-CB 3.34Å; L379-F383 PolarHBondContact O-N 3.45Å
380Y93.4Very high91.5Very high99 Ų9953.6 Ų53.639%0.38825%0.254SS..Hα-helixtrans-61.1-45.8172172-94000111.8W23 W24 F376 I377 F383 W384W23-Y380 HydrophobicContact CH2-CD1 4.19Å; W23-Y380 AromaticContact CH2-CE1 3.96Å; W23-Y380 HydrophobicContact CH2-CE1 3.96Å; W23-Y380 HydrophobicContact CZ2-CD1 4.19Å; W23-Y380 AromaticContact CZ2-CE1 3.5Å; W23-Y380 HydrophobicContact CZ2-CE1 3.5Å; W23-Y380 VanDerWaalsContact CZ2-CE1 3.5Å; W23-Y380 AromaticContact CZ2-CZ 3.85Å; W24-Y380 AromaticContact CE3-CE1 3.93Å; W24-Y380 HydrophobicContact CE3-CE1 3.93Å; W24-Y380 HydrophobicContact CZ3-CE1 4.24Å; F376-Y380 WeakPolarHBondContact O-CB 3.46Å; F376-Y380 PolarHBondContact O-N 3.18Å; I377-Y380 PolarHBondContact O-N 3.02Å; Y380-F383 PolarHBondContact O-N 3.08Å; Y380-W384 WeakPolarHBondContact O-CB 3.47Å; Y380-W384 PolarHBondContact O-N 2.92Å
381T91.5Very high91.1Very high8 Ų855.5 Ų55.55%0.04926%0.261CS..Hα-helixtrans-67.7-39.3179.955.30000112.2W24 T310 I377 C378 W384 L385W24-T381 HydrophobicContact CB-CG2 3.76Å; W24-T381 HydrophobicContact CD2-CG2 3.85Å; W24-T381 HydrophobicContact CG-CG2 3.36Å; T310-T381 WeakPolarHBondContact CG2-OG1 3.38Å; I377-T381 HydrophobicContact CG2-CG2 4.48Å; I377-T381 WeakPolarHBondContact O-CG2 3.2Å; I377-T381 PolarHBondContact O-N 3.35Å; I377-T381 PolarHBondContact O-OG1 2.95Å; C378-T381 PolarHBondContact O-N 3.07Å; C378-T381 PolarHBondContact O-OG1 3.3Å; T381-W384 PolarHBondContact O-N 2.99Å; T381-L385 WeakPolarHBondContact O-CB 3.42Å; T381-L385 PolarHBondContact O-N 3.43Å
382L90.7Very high90.9Very high24 Ų2460.5 Ų60.513%0.12628%0.284CS..Hα-helixtrans-60.9-43.1169.8-75.9-178.5000112.4T310 V311 T314 C378 L385 F386T310-L382 HydrophobicContact CG2-CD2 3.68Å; T310-L382 HydrophobicContact CG2-CG 3.86Å; V311-L382 HydrophobicContact CG2-CD2 3.81Å; T314-L382 HydrophobicContact CG2-CD1 3.86Å; T314-L382 VanDerWaalsContact OG1-CD1 3.25Å; T314-L382 WeakPolarHBondContact OG1-CD1 3.27Å; C378-L382 PolarHBondContact O-N 3.22Å; L382-L385 PolarHBondContact O-N 3.36Å; L382-F386 HydrophobicContact CD2-CE2 4.18Å; L382-F386 VanDerWaalsContact O-CD2 3.23Å; L382-F386 WeakPolarHBondContact O-CD2 3.38Å; L382-F386 PolarHBondContact O-N 3.46Å; L382-F386 VanDerWaalsContact O-N 3.09Å
383F92.2Very high90.6Very high123 Ų12359.8 Ų59.854%0.53928%0.277SS..Hα-helixtrans-62-45.8178.7-179.8-95.2000111.5L379 Y380 F386 R387L379-F383 WeakPolarHBondContact O-CB 3.34Å; L379-F383 PolarHBondContact O-N 3.45Å; Y380-F383 PolarHBondContact O-N 3.08Å; F383-F386 PolarHBondContact O-N 2.83Å; F383-R387 HydrophobicContact CD1-CG 4.02Å; F383-R387 HydrophobicContact CD2-CG 4.16Å; F383-R387 HydrophobicContact CE1-CG 3.77Å; F383-R387 HydrophobicContact CE2-CG 3.93Å; F383-R387 HydrophobicContact CG-CG 4.22Å; F383-R387 HydrophobicContact CZ-CG 3.73Å; F383-R387 WeakPolarHBondContact O-CB 3.43Å; F383-R387 WeakPolarHBondContact O-CG 3.48Å; F383-R387 PolarHBondContact O-N 3.48Å
384W91.6Very high90.2Very high20 Ų2059.7 Ų59.78%0.07628%0.279CS..Hα-helixtrans-57.5-49.3173.3-18090.4000111.5W24 Y380 T381 F386 R387 I388 L390 M420 Q423W24-W384 AromaticContact CH2-CD2 3.84Å; W24-W384 HydrophobicContact CH2-CD2 3.84Å; W24-W384 AromaticContact CH2-CE2 3.61Å; W24-W384 HydrophobicContact CH2-CE3 4.13Å; W24-W384 HydrophobicContact CH2-CG 4.41Å; W24-W384 HydrophobicContact CH2-CH2 4.07Å; W24-W384 AromaticContact CH2-CZ2 3.77Å; W24-W384 HydrophobicContact CH2-CZ2 3.77Å; W24-W384 HydrophobicContact CH2-CZ3 4.23Å; W24-W384 AromaticContact CH2-NE1 3.96Å; W24-W384 HydrophobicContact CZ2-CD2 4.14Å; W24-W384 AromaticContact CZ2-CE3 3.94Å; W24-W384 HydrophobicContact CZ2-CE3 3.94Å; W24-W384 HydrophobicContact CZ2-CH2 4.01Å; W24-W384 HydrophobicContact CZ2-CZ2 4.19Å; W24-W384 AromaticContact CZ2-CZ3 3.86Å; W24-W384 HydrophobicContact CZ2-CZ3 3.86Å; Y380-W384 WeakPolarHBondContact O-CB 3.47Å; Y380-W384 PolarHBondContact O-N 2.92Å; T381-W384 PolarHBondContact O-N 2.99Å; W384-F386 VanDerWaalsContact C-N 3.26Å; W384-F386 PolarHBondContact O-N 3.3Å; W384-R387 PolarHBondContact O-N 3Å; W384-I388 HydrophobicContact CG-CD1 4.38Å; W384-I388 PolarHBondContact O-N 3.42Å; W384-L390 HydrophobicContact CE3-CD1 3.83Å; W384-L390 HydrophobicContact CH2-CD1 3.8Å; W384-L390 HydrophobicContact CH2-CD2 3.66Å; W384-L390 HydrophobicContact CH2-CG 4.41Å; W384-L390 HydrophobicContact CZ2-CD2 3.87Å; W384-L390 HydrophobicContact CZ3-CD1 3.43Å; W384-L390 VanDerWaalsContact CZ3-CD1 3.43Å; W384-L390 HydrophobicContact CZ3-CD2 4.18Å; W384-L390 HydrophobicContact CZ3-CG 4.47Å; W384-M420 HydrophobicContact CH2-SD 4.07Å; W384-M420 HydrophobicContact CZ3-SD 4.24Å; W384-Q423 HydrophobicContact CH2-CG 4.48Å; W384-Q423 HydrophobicContact CZ2-CG 3.78Å
385L89.7Confident89.7Confident1 Ų159.6 Ų59.61%0.00528%0.279CS..Hα-helixtrans-63.6-24.9-176.6-160.478000114.5Y303 Y306 V307 T381 L382 L390 F416Y303-L385 HydrophobicContact CE2-CD1 4.33Å; Y303-L385 HydrophobicContact CE2-CG 4.47Å; Y306-L385 HydrophobicContact CD1-CD1 3.78Å; Y306-L385 HydrophobicContact CD1-CD2 4.28Å; Y306-L385 HydrophobicContact CE1-CD1 4.07Å; V307-L385 HydrophobicContact CB-CD2 4.05Å; V307-L385 HydrophobicContact CG1-CD2 4.41Å; V307-L385 HydrophobicContact CG2-CD2 3.57Å; V307-L385 HydrophobicContact CG2-CG 4.23Å; T381-L385 WeakPolarHBondContact O-CB 3.42Å; T381-L385 PolarHBondContact O-N 3.43Å; L382-L385 PolarHBondContact O-N 3.36Å; L385-L390 HydrophobicContact CD1-CD1 3.62Å; L385-L390 HydrophobicContact CG-CD1 4.3Å; L385-F416 HydrophobicContact CD1-CE2 4.18Å
386F88.2Confident89.2Confident137 Ų13765.2 Ų65.260%0.60131%0.305SS*.Hα-helixtrans-103.5-14176.3-71.9-58.9000114.5V307 L382 F383 W384V307-F386 HydrophobicContact CG1-CZ 4.27Å; L382-F386 HydrophobicContact CD2-CE2 4.18Å; L382-F386 VanDerWaalsContact O-CD2 3.23Å; L382-F386 WeakPolarHBondContact O-CD2 3.38Å; L382-F386 PolarHBondContact O-N 3.46Å; L382-F386 VanDerWaalsContact O-N 3.09Å; F383-F386 PolarHBondContact O-N 2.83Å; W384-F386 VanDerWaalsContact C-N 3.26Å; W384-F386 PolarHBondContact O-N 3.3Å
387R88.3Confident88.4Confident182 Ų18263.1 Ų63.169%0.68730%0.296SS*.Hα-helixtrans-88.2-30.3177.6-80-69.3-169.2171.10.6113.7F383 W384F383-R387 HydrophobicContact CD1-CG 4.02Å; F383-R387 HydrophobicContact CD2-CG 4.16Å; F383-R387 HydrophobicContact CE1-CG 3.77Å; F383-R387 HydrophobicContact CE2-CG 3.93Å; F383-R387 HydrophobicContact CG-CG 4.22Å; F383-R387 HydrophobicContact CZ-CG 3.73Å; F383-R387 WeakPolarHBondContact O-CB 3.43Å; F383-R387 WeakPolarHBondContact O-CG 3.48Å; F383-R387 PolarHBondContact O-N 3.48Å; W384-R387 PolarHBondContact O-N 3Å
388I85.2Confident87.6Confident67 Ų6762.9 Ų62.934%0.34430%0.295SS..SBendtrans-103.4135.7-178.3-60.6177.2000108.9W384 L390W384-I388 HydrophobicContact CG-CD1 4.38Å; W384-I388 PolarHBondContact O-N 3.42Å; I388-L390 HydrophobicContact CB-CD2 4.13Å; I388-L390 HydrophobicContact CB-CG 4.12Å; I388-L390 HydrophobicContact CG2-CD2 3.64Å; I388-L390 HydrophobicContact CG2-CG 3.99Å; I388-L390 PolarHBondContact O-N 3.14Å
389P85.3Confident87.2Confident97 Ų9766.1 Ų66.163%0.6331%0.307SS*.  trans-76.166.8177.832.8-36.6000111.7K391 E392P389-K391 PolarHBondContact O-N 2.91Å; P389-E392 PolarHBondContact O-N 3.43Å
390L87.1Confident86.5Confident1 Ų169.7 Ų69.71%0.00532%0.322CS..THydrogen-bonded Turntrans-63.4-1.2-172.4-63.1167.3000115.8Y303 W384 L385 I388 F416 H419Y303-L390 HydrophobicContact CE2-CB 4.25Å; W384-L390 HydrophobicContact CE3-CD1 3.83Å; W384-L390 HydrophobicContact CH2-CD1 3.8Å; W384-L390 HydrophobicContact CH2-CD2 3.66Å; W384-L390 HydrophobicContact CH2-CG 4.41Å; W384-L390 HydrophobicContact CZ2-CD2 3.87Å; W384-L390 HydrophobicContact CZ3-CD1 3.43Å; W384-L390 VanDerWaalsContact CZ3-CD1 3.43Å; W384-L390 HydrophobicContact CZ3-CD2 4.18Å; W384-L390 HydrophobicContact CZ3-CG 4.47Å; L385-L390 HydrophobicContact CD1-CD1 3.62Å; L385-L390 HydrophobicContact CG-CD1 4.3Å; I388-L390 HydrophobicContact CB-CD2 4.13Å; I388-L390 HydrophobicContact CB-CG 4.12Å; I388-L390 HydrophobicContact CG2-CD2 3.64Å; I388-L390 HydrophobicContact CG2-CG 3.99Å; I388-L390 PolarHBondContact O-N 3.14Å; L390-F416 HydrophobicContact CB-CD2 4.27Å; L390-F416 WeakPolarHBondContact O-CA 3.26Å; L390-F416 PolarHBondContact O-N 2.69Å; L390-H419 HydrophobicContact CD2-CB 3.63Å; L390-H419 VanDerWaalsContact CD2-CG 3.5Å
391K85.9Confident85.5Confident69 Ų6970 Ų7030%0.333%0.327SS..THydrogen-bonded Turntrans-84.4-10.6172-81.1172155.5-85.90113.5D300 Y303 P389 K411 N412D300-K391 WeakPolarHBondContact OD1-CE 3.42Å; D300-K391 IonicContact OD1-NZ 3.92Å; D300-K391 PolarHBondContact OD1-NZ 3.28Å; D300-K391 IonicContact OD2-NZ 2.87Å; D300-K391 PolarHBondContact OD2-NZ 3.05Å; Y303-K391 HydrophobicContact CD1-CG 4.28Å; Y303-K391 HydrophobicContact CE1-CD 4.29Å; Y303-K391 HydrophobicContact CE1-CG 4.3Å; P389-K391 PolarHBondContact O-N 2.91Å; K391-K411 CarbonylContact O-C 3.52Å; K391-K411 VanDerWaalsContact O-CA 3.29Å; K391-K411 WeakPolarHBondContact O-CA 3.25Å; K391-N412 PolarHBondContact O-N 3.44Å
392E88.6Confident84.6Confident106 Ų10670.1 Ų70.150%0.49533%0.328SS..EExtended strand (participates in β ladder)trans-131130.8176.6-58.9-169131.600108.3P389 K411 H419P389-E392 PolarHBondContact O-N 3.43Å; E392-K411 HydrophobicContact CG-CG 4.49Å; E392-K411 WeakPolarHBondContact OE1-CE 3.44Å; E392-K411 IonicContact OE1-NZ 2.67Å; E392-K411 PolarHBondContact OE1-NZ 3.44Å; E392-H419 PolarHBondContact O-NE2 2.69Å
393Y88.8Confident83.6Confident18 Ų1871.4 Ų71.47%0.07134%0.339CS..EExtended strand (participates in β ladder)trans-120.3121177.3-175.9-79.3000108.1F395 V410 L418 H419 D422 S429Y393-F395 HydrophobicContact CD1-CD1 4.5Å; Y393-F395 HydrophobicContact CD1-CD2 4.03Å; Y393-F395 HydrophobicContact CD1-CE1 4.31Å; Y393-F395 AromaticContact CD1-CE2 3.81Å; Y393-F395 HydrophobicContact CD1-CE2 3.81Å; Y393-F395 HydrophobicContact CD1-CG 4.37Å; Y393-F395 AromaticContact CD1-CZ 3.96Å; Y393-F395 HydrophobicContact CD1-CZ 3.96Å; Y393-F395 AromaticContact CE1-CD1 3.86Å; Y393-F395 HydrophobicContact CE1-CD1 3.86Å; Y393-F395 HydrophobicContact CE1-CD2 4.2Å; Y393-F395 AromaticContact CE1-CE1 3.7Å; Y393-F395 HydrophobicContact CE1-CE1 3.7Å; Y393-F395 HydrophobicContact CE1-CE2 4.05Å; Y393-F395 HydrophobicContact CE1-CG 4.11Å; Y393-F395 AromaticContact CE1-CZ 3.8Å; Y393-F395 HydrophobicContact CE1-CZ 3.8Å; Y393-V410 HydrophobicContact CD1-CG2 4.4Å; Y393-V410 PolarHBondContact N-O 2.88Å; Y393-V410 PolarHBondContact O-N 3.33Å; Y393-L418 HydrophobicContact CD1-CB 4.4Å; Y393-L418 HydrophobicContact CD1-CD1 4.26Å; Y393-L418 HydrophobicContact CD2-CB 3.82Å; Y393-L418 HydrophobicContact CE2-CB 4.05Å; Y393-L418 HydrophobicContact CG-CB 4.03Å; Y393-L418 HydrophobicContact CG-CD1 4.48Å; Y393-H419 AromaticContact CD2-CD2 3.83Å; Y393-H419 AromaticContact CD2-CE1 3.63Å; Y393-H419 AromaticContact CD2-CG 3.77Å; Y393-H419 AromaticContact CD2-ND1 3.67Å; Y393-H419 AromaticContact CD2-NE2 3.75Å; Y393-D422 HydrophobicContact CE2-CB 4.33Å; Y393-D422 PolarHBondContact OH-OD1 3.05Å; Y393-S429 VanDerWaalsContact OH-CB 3.24Å; Y393-S429 WeakPolarHBondContact OH-CB 3.46Å
394S86.3Confident82.9Confident57 Ų5765.7 Ų65.740%0.39931%0.314SS..  trans-97.3130.3180177.10000110.2E396 R399 D409S394-E396 PolarHBondContact O-N 3Å; S394-E396 VanDerWaalsContact OG-CB 3.23Å; S394-E396 WeakPolarHBondContact OG-CB 3.45Å; S394-E396 PolarHBondContact OG-N 2.87Å; S394-R399 PolarHBondContact OG-NH2 3.17Å; S394-D409 WeakPolarHBondContact CA-OD1 3.4Å
395F84.4Confident82.3Confident1 Ų169.3 Ų69.30%0.00434%0.342CS..  trans-87.316.5173.3-75.4-84.9000112.9Y393 K397 V398 R399 I407 D409 V410 L418 L436Y393-F395 HydrophobicContact CD1-CD1 4.5Å; Y393-F395 HydrophobicContact CD1-CD2 4.03Å; Y393-F395 HydrophobicContact CD1-CE1 4.31Å; Y393-F395 AromaticContact CD1-CE2 3.81Å; Y393-F395 HydrophobicContact CD1-CE2 3.81Å; Y393-F395 HydrophobicContact CD1-CG 4.37Å; Y393-F395 AromaticContact CD1-CZ 3.96Å; Y393-F395 HydrophobicContact CD1-CZ 3.96Å; Y393-F395 AromaticContact CE1-CD1 3.86Å; Y393-F395 HydrophobicContact CE1-CD1 3.86Å; Y393-F395 HydrophobicContact CE1-CD2 4.2Å; Y393-F395 AromaticContact CE1-CE1 3.7Å; Y393-F395 HydrophobicContact CE1-CE1 3.7Å; Y393-F395 HydrophobicContact CE1-CE2 4.05Å; Y393-F395 HydrophobicContact CE1-CG 4.11Å; Y393-F395 AromaticContact CE1-CZ 3.8Å; Y393-F395 HydrophobicContact CE1-CZ 3.8Å; F395-K397 PolarHBondContact O-N 2.88Å; F395-V398 HydrophobicContact CB-CB 4.49Å; F395-V398 HydrophobicContact CD1-CB 4.42Å; F395-V398 HydrophobicContact CD1-CG2 4.06Å; F395-V398 CarbonylContact O-C 3.1Å; F395-V398 WeakPolarHBondContact O-CA 3.28Å; F395-V398 WeakPolarHBondContact O-CB 3.3Å; F395-V398 PolarHBondContact O-N 3.38Å; F395-R399 PolarHBondContact O-N 3.31Å; F395-I407 HydrophobicContact CB-CB 4.27Å; F395-I407 HydrophobicContact CB-CG2 3.52Å; F395-I407 HydrophobicContact CD1-CG2 4.02Å; F395-I407 HydrophobicContact CD2-CG2 3.75Å; F395-I407 HydrophobicContact CE2-CG2 4.46Å; F395-I407 HydrophobicContact CG-CG2 3.5Å; F395-I407 VanDerWaalsContact CG-CG2 3.5Å; F395-D409 PolarHBondContact N-OD1 3.34Å; F395-V410 HydrophobicContact CE2-CG1 4.15Å; F395-V410 HydrophobicContact CE2-CG2 3.95Å; F395-L418 HydrophobicContact CE2-CD1 4.23Å; F395-L418 HydrophobicContact CZ-CD1 3.76Å; F395-L436 HydrophobicContact CD2-CD1 4.47Å; F395-L436 HydrophobicContact CE2-CD1 3.6Å; F395-L436 HydrophobicContact CZ-CD1 3.65Å
396E82.3Confident82.1Confident118 Ų11871.9 Ų71.955%0.55136%0.356SS*.Hα-helixtrans-45.3-53.7179.9-175.9164.3-144.600114S394 V398 R399 E400S394-E396 PolarHBondContact O-N 3Å; S394-E396 VanDerWaalsContact OG-CB 3.23Å; S394-E396 WeakPolarHBondContact OG-CB 3.45Å; S394-E396 PolarHBondContact OG-N 2.87Å; E396-V398 PolarHBondContact O-N 2.78Å; E396-V398 VanDerWaalsContact O-N 3.14Å; E396-R399 CarbonylContact O-C 3.59Å; E396-R399 WeakPolarHBondContact O-CA 3.2Å; E396-R399 PolarHBondContact O-N 3.43Å; E396-E400 WeakPolarHBondContact O-CG 3.43Å; E396-E400 PolarHBondContact O-N 3.4Å
397K77.1Confident81.9Confident104 Ų10465.4 Ų65.445%0.45233%0.327SS..Hα-helixtrans-57.2-31.9175.4-177.8178.4177.1-178.60113.5F395 E401F395-K397 PolarHBondContact O-N 2.88Å; K397-E401 VanDerWaalsContact O-CB 3.23Å; K397-E401 WeakPolarHBondContact O-CB 3.07Å; K397-E401 PolarHBondContact O-N 3.46Å; K397-E401 VanDerWaalsContact O-N 3.1Å
398V78.3Confident81.9Confident9 Ų958.5 Ų58.56%0.05531%0.306CS..Hα-helixtrans-79.5-33.2177.5-170.80000111F395 E396 E400 E401 S402 I407 K430F395-V398 HydrophobicContact CB-CB 4.49Å; F395-V398 HydrophobicContact CD1-CB 4.42Å; F395-V398 HydrophobicContact CD1-CG2 4.06Å; F395-V398 CarbonylContact O-C 3.1Å; F395-V398 WeakPolarHBondContact O-CA 3.28Å; F395-V398 WeakPolarHBondContact O-CB 3.3Å; F395-V398 PolarHBondContact O-N 3.38Å; E396-V398 PolarHBondContact O-N 2.78Å; E396-V398 VanDerWaalsContact O-N 3.14Å; V398-E400 VanDerWaalsContact C-N 3.33Å; V398-E401 PolarHBondContact O-N 3.16Å; V398-S402 WeakPolarHBondContact O-CB 3.15Å; V398-S402 PolarHBondContact O-N 3.35Å; V398-S402 PolarHBondContact O-OG 2.98Å; V398-I407 HydrophobicContact CB-CD1 4.44Å; V398-I407 HydrophobicContact CG1-CD1 3.79Å; V398-K430 HydrophobicContact CG2-CG 4.13Å
399R83.9Confident82Confident68 Ų6858.4 Ų58.426%0.25731%0.307SS..Hα-helixtrans-73.4-21.9173-65.4-178.4-69.9-148.41.4113.3S394 F395 E396 S405 I407 D409S394-R399 PolarHBondContact OG-NH2 3.17Å; F395-R399 PolarHBondContact O-N 3.31Å; E396-R399 CarbonylContact O-C 3.59Å; E396-R399 WeakPolarHBondContact O-CA 3.2Å; E396-R399 PolarHBondContact O-N 3.43Å; R399-S405 WeakPolarHBondContact CD-O 3.44Å; R399-I407 HydrophobicContact CG-CB 4.18Å; R399-I407 PolarHBondContact NH1-O 2.78Å; R399-D409 IonicContact CZ-OD1 2.68Å; R399-D409 VanDerWaalsContact CZ-OD1 3.28Å; R399-D409 IonicContact CZ-OD2 2.67Å; R399-D409 VanDerWaalsContact NH1-CG 3.26Å; R399-D409 IonicContact NH1-OD1 2.72Å; R399-D409 PolarHBondContact NH1-OD1 2.99Å; R399-D409 VanDerWaalsContact NH1-OD1 3.14Å; R399-D409 IonicContact NH1-OD2 2.99Å; R399-D409 PolarHBondContact NH1-OD2 2.93Å; R399-D409 VanDerWaalsContact NH2-CG 3.32Å; R399-D409 IonicContact NH2-OD1 2.6Å; R399-D409 PolarHBondContact NH2-OD1 3.46Å; R399-D409 IonicContact NH2-OD2 3.23Å; R399-D409 PolarHBondContact NH2-OD2 2.88Å
400E78.1Confident82.2Confident155 Ų15553.9 Ų53.972%0.72428%0.277SS*.Hα-helixtrans-84.6-34170.8-70.3-177.4142.200112.7E396 V398E396-E400 WeakPolarHBondContact O-CG 3.43Å; E396-E400 PolarHBondContact O-N 3.4Å; V398-E400 VanDerWaalsContact C-N 3.33Å
401E72.8Confident82.3Confident106 Ų10658.6 Ų58.650%0.49530%0.297SS..SBendtrans-96.69.8-177.9-151.5-169.4127.400112.9K397 V398 K430K397-E401 VanDerWaalsContact O-CB 3.23Å; K397-E401 WeakPolarHBondContact O-CB 3.07Å; K397-E401 PolarHBondContact O-N 3.46Å; K397-E401 VanDerWaalsContact O-N 3.1Å; V398-E401 PolarHBondContact O-N 3.16Å; E401-K430 IonicContact OE1-NZ 2.69Å; E401-K430 PolarHBondContact OE1-NZ 3.3Å; E401-K430 VanDerWaalsContact OE2-CE 3.32Å; E401-K430 WeakPolarHBondContact OE2-CE 3.31Å; E401-K430 IonicContact OE2-NZ 3.51Å; E401-K430 PolarHBondContact OE2-NZ 3.39Å
402S71.3Confident82.5Confident9 Ų957.6 Ų57.66%0.06330%0.295CS..SBendtrans-156.1153.1174.975.60000113.2V398 F404V398-S402 WeakPolarHBondContact O-CB 3.15Å; V398-S402 PolarHBondContact O-N 3.35Å; V398-S402 PolarHBondContact O-OG 2.98Å; S402-F404 PolarHBondContact O-N 3.04Å
403S70.8Confident82.6Confident52 Ų5252.6 Ų52.636%0.36427%0.272SS..SBendtrans-64.3-7.5177.250.80000114.5T214 E217 S405T214-S403 WeakPolarHBondContact CG2-OG 3.42Å; T214-S403 PolarHBondContact OG1-OG 2.99Å; E217-S403 PolarHBondContact OE2-OG 3.29Å; S403-S405 VanDerWaalsContact C-N 3.32Å; S403-S405 PolarHBondContact O-N 2.96Å
404F77.7Confident82.8Confident3 Ų351.7 Ų51.71%0.01327%0.268CS..  trans-81.568.9177.8-57.6-69.3000112.4A210 T214 S402 D406 I407 S437 V439A210-F404 HydrophobicContact CB-CZ 4.38Å; T214-F404 VanDerWaalsContact OG1-CE2 3.27Å; T214-F404 WeakPolarHBondContact OG1-CE2 3.49Å; S402-F404 PolarHBondContact O-N 3.04Å; F404-D406 PolarHBondContact O-N 3.18Å; F404-I407 HydrophobicContact CB-CD1 3.86Å; F404-I407 HydrophobicContact CB-CG1 4.01Å; F404-I407 WeakPolarHBondContact O-CG1 3.25Å; F404-S437 WeakPolarHBondContact CD1-OG 3.14Å; F404-V439 HydrophobicContact CD1-CB 4.3Å; F404-V439 HydrophobicContact CD1-CG1 4.23Å; F404-V439 HydrophobicContact CE1-CG1 4.25Å
405S77.4Confident83Confident96 Ų9649 Ų4967%0.67125%0.25SC*.THydrogen-bonded Turntrans-66.1-13.6175.259.60000114.5R399 S403 I407R399-S405 WeakPolarHBondContact CD-O 3.44Å; S403-S405 VanDerWaalsContact C-N 3.32Å; S403-S405 PolarHBondContact O-N 2.96Å; S405-I407 VanDerWaalsContact C-N 3.34Å; S405-I407 PolarHBondContact O-N 3.48Å
406D85.7Confident83.4Confident54 Ų5449 Ų4929%0.28925%0.249SC..THydrogen-bonded Turntrans-81.7-6.1-17772-44.9000114.4F404 P408 S437 E438 V439F404-D406 PolarHBondContact O-N 3.18Å; D406-P408 VanDerWaalsContact O-CD 3.29Å; D406-P408 WeakPolarHBondContact O-CD 3.5Å; D406-P408 VanDerWaalsContact O-N 3.15Å; D406-S437 WeakPolarHBondContact OD1-CB 3.4Å; D406-S437 PolarHBondContact OD1-OG 2.65Å; D406-S437 WeakPolarHBondContact OD2-CA 3.41Å; D406-S437 PolarHBondContact OD2-OG 2.71Å; D406-E438 PolarHBondContact OD2-N 3.31Å; D406-V439 HydrophobicContact CB-CG2 4.19Å; D406-V439 PolarHBondContact OD2-N 3.03Å
407I85.3Confident83.9Confident1 Ų143.3 Ų43.31%0.00522%0.223CC..PPolyproline II helixtrans-59118.7-177.2-62.1168.5000110.1F395 V398 R399 F404 S405 L436F395-I407 HydrophobicContact CB-CB 4.27Å; F395-I407 HydrophobicContact CB-CG2 3.52Å; F395-I407 HydrophobicContact CD1-CG2 4.02Å; F395-I407 HydrophobicContact CD2-CG2 3.75Å; F395-I407 HydrophobicContact CE2-CG2 4.46Å; F395-I407 HydrophobicContact CG-CG2 3.5Å; F395-I407 VanDerWaalsContact CG-CG2 3.5Å; V398-I407 HydrophobicContact CB-CD1 4.44Å; V398-I407 HydrophobicContact CG1-CD1 3.79Å; R399-I407 HydrophobicContact CG-CB 4.18Å; R399-I407 PolarHBondContact NH1-O 2.78Å; F404-I407 HydrophobicContact CB-CD1 3.86Å; F404-I407 HydrophobicContact CB-CG1 4.01Å; F404-I407 WeakPolarHBondContact O-CG1 3.25Å; S405-I407 VanDerWaalsContact C-N 3.34Å; S405-I407 PolarHBondContact O-N 3.48Å; I407-L436 HydrophobicContact CG2-CB 4.31Å
408P87.5Confident84.6Confident37 Ų3738.4 Ų38.424%0.2420%0.202CC..PPolyproline II helixtrans-80.1139.5-175.831.4-36000112.1D406 L436D406-P408 VanDerWaalsContact O-CD 3.29Å; D406-P408 WeakPolarHBondContact O-CD 3.5Å; D406-P408 VanDerWaalsContact O-N 3.15Å; P408-L436 VanDerWaalsContact CD-O 3.26Å; P408-L436 WeakPolarHBondContact CD-O 3.41Å; P408-L436 HydrophobicContact CG-CB 4.28Å
409D87.6Confident85.2Confident66 Ų6639.6 Ų39.635%0.35321%0.207SC..PPolyproline II helixtrans-72152.7172.5-57.6-52.5000111.3R293 S394 F395 R399R293-D409 PolarHBondContact NH2-O 3.44Å; S394-D409 WeakPolarHBondContact CA-OD1 3.4Å; F395-D409 PolarHBondContact N-OD1 3.34Å; R399-D409 IonicContact CZ-OD1 2.68Å; R399-D409 VanDerWaalsContact CZ-OD1 3.28Å; R399-D409 IonicContact CZ-OD2 2.67Å; R399-D409 VanDerWaalsContact NH1-CG 3.26Å; R399-D409 IonicContact NH1-OD1 2.72Å; R399-D409 PolarHBondContact NH1-OD1 2.99Å; R399-D409 VanDerWaalsContact NH1-OD1 3.14Å; R399-D409 IonicContact NH1-OD2 2.99Å; R399-D409 PolarHBondContact NH1-OD2 2.93Å; R399-D409 VanDerWaalsContact NH2-CG 3.32Å; R399-D409 IonicContact NH2-OD1 2.6Å; R399-D409 PolarHBondContact NH2-OD1 3.46Å; R399-D409 IonicContact NH2-OD2 3.23Å; R399-D409 PolarHBondContact NH2-OD2 2.88Å
410V89Confident85.5Confident1 Ų136.4 Ų36.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-132.9158.1-165-59.90000112.8E297 Y393 F395 F414 L418 L436E297-V410 VanDerWaalsContact OE1-CA 3.32Å; E297-V410 WeakPolarHBondContact OE1-CA 3.37Å; E297-V410 WeakPolarHBondContact OE1-CB 3.36Å; Y393-V410 HydrophobicContact CD1-CG2 4.4Å; Y393-V410 PolarHBondContact N-O 2.88Å; Y393-V410 PolarHBondContact O-N 3.33Å; F395-V410 HydrophobicContact CE2-CG1 4.15Å; F395-V410 HydrophobicContact CE2-CG2 3.95Å; V410-F414 HydrophobicContact CB-CD1 3.71Å; V410-F414 HydrophobicContact CB-CE1 4.05Å; V410-F414 HydrophobicContact CG1-CD1 4.09Å; V410-F414 HydrophobicContact CG1-CE1 3.94Å; V410-F414 HydrophobicContact CG2-CD1 3.68Å; V410-F414 HydrophobicContact CG2-CE1 3.94Å; V410-L418 HydrophobicContact CG2-CD1 3.79Å; V410-L436 HydrophobicContact CG1-CD1 4.32Å
411K88.9Confident86.2Confident100 Ų10029 Ų2944%0.43516%0.16SC..EExtended strand (participates in β ladder)trans-132.2166.7-164.9-54.8-160.1-178.7-145.90116.3E297 K391 E392 F414 A415E297-K411 PolarHBondContact OE1-N 3.24Å; K391-K411 CarbonylContact O-C 3.52Å; K391-K411 VanDerWaalsContact O-CA 3.29Å; K391-K411 WeakPolarHBondContact O-CA 3.25Å; E392-K411 HydrophobicContact CG-CG 4.49Å; E392-K411 WeakPolarHBondContact OE1-CE 3.44Å; E392-K411 IonicContact OE1-NZ 2.67Å; E392-K411 PolarHBondContact OE1-NZ 3.44Å; K411-F414 PolarHBondContact O-N 3.45Å; K411-A415 PolarHBondContact O-N 2.9Å
412N90.7Very high87Confident49 Ų4925.2 Ų25.226%0.26214%0.143SC..Hα-helixtrans51.2-132.7173.7-53.9-47.6000114.3E297 S299 K391 F414 A415 F416E297-N412 PolarHBondContact O-ND2 3.07Å; S299-N412 WeakPolarHBondContact O-CB 3.35Å; K391-N412 PolarHBondContact O-N 3.44Å; N412-F414 PolarHBondContact O-N 3.03Å; N412-F414 VanDerWaalsContact O-N 3.15Å; N412-A415 PolarHBondContact O-N 3.3Å; N412-F416 PolarHBondContact O-N 3.17Å
413D90.6Very high87.9Confident0 Ų028.5 Ų28.50%016%0.157CC..Hα-helixtrans-56.3-31.1-176.8-82.6-19.7000112.7V296 S299 D300 L301 I302 Y303 L417V296-D413 HydrophobicContact CG1-CB 3.79Å; S299-D413 VanDerWaalsContact CB-OD2 3.22Å; S299-D413 WeakPolarHBondContact CB-OD2 3.41Å; S299-D413 WeakPolarHBondContact O-CB 3.39Å; S299-D413 PolarHBondContact O-N 2.97Å; S299-D413 PolarHBondContact OG-OD2 3.26Å; D300-D413 VanDerWaalsContact C-OD1 3.25Å; D300-D413 WeakPolarHBondContact CA-OD1 3.35Å; D300-D413 PolarHBondContact N-OD2 3.45Å; D300-D413 VanDerWaalsContact N-OD2 3.16Å; L301-D413 VanDerWaalsContact N-CG 3.31Å; L301-D413 PolarHBondContact N-OD1 3.1Å; L301-D413 PolarHBondContact N-OD2 3.16Å; I302-D413 WeakPolarHBondContact CA-OD1 3.22Å; I302-D413 HydrophobicContact CB-CB 4.3Å; I302-D413 WeakPolarHBondContact CB-OD1 3.28Å; I302-D413 HydrophobicContact CD1-CB 4.18Å; I302-D413 HydrophobicContact CG1-CB 4.3Å; I302-D413 VanDerWaalsContact N-CG 3.32Å; I302-D413 PolarHBondContact N-OD1 2.99Å; I302-D413 PolarHBondContact N-OD2 2.59Å; Y303-D413 PolarHBondContact N-OD1 2.85Å; D413-L417 VanDerWaalsContact O-CG 3.31Å; D413-L417 WeakPolarHBondContact O-CG 3.4Å; D413-L417 PolarHBondContact O-N 2.89Å
414F92.1Very high88.8Confident0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-73.1-42.9179.7-171.4-92.7000111.8F194 F292 V296 E297 V410 K411 N412 L417 L418 F432F194-F414 HydrophobicContact CD2-CE2 4.46Å; F194-F414 HydrophobicContact CE2-CE2 4.41Å; F292-F414 HydrophobicContact CD1-CD2 4.18Å; F292-F414 AromaticContact CD1-CE2 3.79Å; F292-F414 HydrophobicContact CD1-CE2 3.79Å; F292-F414 AromaticContact CE1-CD2 3.81Å; F292-F414 HydrophobicContact CE1-CD2 3.81Å; F292-F414 AromaticContact CE1-CE2 3.71Å; F292-F414 HydrophobicContact CE1-CE2 3.71Å; V296-F414 HydrophobicContact CB-CB 4.28Å; V296-F414 HydrophobicContact CB-CD2 4.32Å; V296-F414 HydrophobicContact CG1-CB 3.92Å; V296-F414 HydrophobicContact CG1-CD2 4.41Å; E297-F414 HydrophobicContact CG-CB 4.16Å; V410-F414 HydrophobicContact CB-CD1 3.71Å; V410-F414 HydrophobicContact CB-CE1 4.05Å; V410-F414 HydrophobicContact CG1-CD1 4.09Å; V410-F414 HydrophobicContact CG1-CE1 3.94Å; V410-F414 HydrophobicContact CG2-CD1 3.68Å; V410-F414 HydrophobicContact CG2-CE1 3.94Å; K411-F414 PolarHBondContact O-N 3.45Å; N412-F414 PolarHBondContact O-N 3.03Å; N412-F414 VanDerWaalsContact O-N 3.15Å; F414-L417 PolarHBondContact O-N 3.44Å; F414-L418 HydrophobicContact CD1-CD1 3.85Å; F414-L418 HydrophobicContact CE1-CD1 3.42Å; F414-L418 VanDerWaalsContact CE1-CD1 3.42Å; F414-L418 HydrophobicContact CE1-CG 4.35Å; F414-L418 HydrophobicContact CZ-CD1 4.14Å; F414-L418 PolarHBondContact O-N 3.12Å; F414-L418 VanDerWaalsContact O-N 3.1Å; F414-F432 HydrophobicContact CE1-CE1 4.4Å; F414-F432 HydrophobicContact CE2-CZ 4.22Å; F414-F432 AromaticContact CZ-CE1 3.61Å; F414-F432 HydrophobicContact CZ-CE1 3.61Å; F414-F432 AromaticContact CZ-CZ 3.7Å; F414-F432 HydrophobicContact CZ-CZ 3.7Å
415A92.1Very high89.4Confident0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-60.1-44.4171.300000111.9K411 N412 L417 L418 H419K411-A415 PolarHBondContact O-N 2.9Å; N412-A415 PolarHBondContact O-N 3.3Å; A415-L417 PolarHBondContact O-N 2.84Å; A415-L418 PolarHBondContact O-N 2.84Å; A415-H419 PolarHBondContact O-CD2 2.91Å; A415-H419 PolarHBondContact O-N 3.33Å
416F93.1Very high89.8Confident0 Ų033.3 Ų33.30%016%0.161CC..Hα-helixtrans-60.9-43.6177.9174.3-108000112.2I302 Y303 Y306 L385 L390 N412 L418 H419 M420I302-F416 HydrophobicContact CG2-CD1 3.94Å; I302-F416 HydrophobicContact CG2-CE1 3.95Å; Y303-F416 HydrophobicContact CD2-CB 4.44Å; Y303-F416 AromaticContact CD2-CD2 3.74Å; Y303-F416 HydrophobicContact CD2-CD2 3.74Å; Y303-F416 HydrophobicContact CD2-CE2 4.25Å; Y303-F416 HydrophobicContact CD2-CG 4.08Å; Y306-F416 HydrophobicContact CD1-CE2 4.31Å; Y306-F416 AromaticContact CD1-CZ 3.84Å; Y306-F416 HydrophobicContact CD1-CZ 3.84Å; Y306-F416 HydrophobicContact CD2-CE1 4.44Å; Y306-F416 AromaticContact CD2-CZ 3.92Å; Y306-F416 HydrophobicContact CD2-CZ 3.92Å; Y306-F416 HydrophobicContact CE1-CZ 4.48Å; Y306-F416 HydrophobicContact CG-CE1 4.22Å; Y306-F416 HydrophobicContact CG-CE2 4.41Å; Y306-F416 AromaticContact CG-CZ 3.53Å; Y306-F416 HydrophobicContact CG-CZ 3.53Å; L385-F416 HydrophobicContact CD1-CE2 4.18Å; L390-F416 HydrophobicContact CB-CD2 4.27Å; L390-F416 WeakPolarHBondContact O-CA 3.26Å; L390-F416 PolarHBondContact O-N 2.69Å; N412-F416 PolarHBondContact O-N 3.17Å; F416-L418 PolarHBondContact O-N 3.25Å; F416-H419 PolarHBondContact O-N 3.15Å; F416-M420 HydrophobicContact CD2-CG 4.32Å; F416-M420 HydrophobicContact CE1-CG 3.99Å; F416-M420 HydrophobicContact CE2-CG 3.79Å; F416-M420 HydrophobicContact CE2-SD 3.97Å; F416-M420 HydrophobicContact CZ-CE 4.38Å; F416-M420 HydrophobicContact CZ-CG 3.6Å; F416-M420 HydrophobicContact CZ-SD 3.83Å; F416-M420 VanDerWaalsContact O-CG 3.31Å; F416-M420 WeakPolarHBondContact O-CG 3.27Å; F416-M420 PolarHBondContact O-N 3.08Å
417L92.3Very high89.9Confident0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-62.6-40.8176.3-75.5172000112.2L20 W181 I191 F194 I302 D413 F414 A415 M420 V421L20-L417 HydrophobicContact CD1-CD2 4.19Å; L20-L417 HydrophobicContact CD2-CD2 3.87Å; W181-L417 HydrophobicContact CZ3-CD2 4.48Å; I191-L417 HydrophobicContact CG1-CD2 4.39Å; F194-L417 HydrophobicContact CB-CD1 4.15Å; F194-L417 HydrophobicContact CD1-CB 4.06Å; F194-L417 HydrophobicContact CD1-CD1 4.07Å; F194-L417 HydrophobicContact CD1-CD2 4.27Å; F194-L417 HydrophobicContact CD1-CG 4.37Å; F194-L417 HydrophobicContact CE1-CB 3.79Å; F194-L417 HydrophobicContact CE2-CB 4.46Å; F194-L417 HydrophobicContact CG-CD1 4Å; F194-L417 HydrophobicContact CZ-CB 3.99Å; I302-L417 HydrophobicContact CD1-CD1 3.81Å; I302-L417 HydrophobicContact CD1-CD2 4.44Å; I302-L417 HydrophobicContact CD1-CG 4.26Å; I302-L417 HydrophobicContact CG2-CD2 4.36Å; D413-L417 VanDerWaalsContact O-CG 3.31Å; D413-L417 WeakPolarHBondContact O-CG 3.4Å; D413-L417 PolarHBondContact O-N 2.89Å; F414-L417 PolarHBondContact O-N 3.44Å; A415-L417 PolarHBondContact O-N 2.84Å; L417-M420 PolarHBondContact O-N 2.75Å; L417-V421 WeakPolarHBondContact O-CG2 3.44Å; L417-V421 PolarHBondContact O-N 2.92Å; L417-V421 VanDerWaalsContact O-N 3.09Å
418L91.5Very high90.1Very high0 Ų035.6 Ų35.60%017%0.171CC..Hα-helixtrans-66.4-42.1175.4-79.2167.6000112.7F194 Y393 F395 V410 F414 A415 F416 M420 V421 D422F194-L418 HydrophobicContact CE2-CD2 4.48Å; F194-L418 HydrophobicContact CZ-CD2 4.26Å; F194-L418 HydrophobicContact CZ-CG 4.44Å; Y393-L418 HydrophobicContact CD1-CB 4.4Å; Y393-L418 HydrophobicContact CD1-CD1 4.26Å; Y393-L418 HydrophobicContact CD2-CB 3.82Å; Y393-L418 HydrophobicContact CE2-CB 4.05Å; Y393-L418 HydrophobicContact CG-CB 4.03Å; Y393-L418 HydrophobicContact CG-CD1 4.48Å; F395-L418 HydrophobicContact CE2-CD1 4.23Å; F395-L418 HydrophobicContact CZ-CD1 3.76Å; V410-L418 HydrophobicContact CG2-CD1 3.79Å; F414-L418 HydrophobicContact CD1-CD1 3.85Å; F414-L418 HydrophobicContact CE1-CD1 3.42Å; F414-L418 VanDerWaalsContact CE1-CD1 3.42Å; F414-L418 HydrophobicContact CE1-CG 4.35Å; F414-L418 HydrophobicContact CZ-CD1 4.14Å; F414-L418 PolarHBondContact O-N 3.12Å; F414-L418 VanDerWaalsContact O-N 3.1Å; A415-L418 PolarHBondContact O-N 2.84Å; F416-L418 PolarHBondContact O-N 3.25Å; L418-M420 VanDerWaalsContact C-N 3.29Å; L418-M420 PolarHBondContact O-N 2.62Å; L418-V421 PolarHBondContact O-N 3.03Å; L418-D422 WeakPolarHBondContact O-CB 3.24Å; L418-D422 PolarHBondContact O-N 2.9Å
419H90.8Very high90.1Very high35 Ų3534 Ų3416%0.16216%0.16CC..Hα-helixtrans-56.8-42.6172-80.5-66000111.8L390 E392 Y393 A415 F416 V421 D422 Q423L390-H419 HydrophobicContact CD2-CB 3.63Å; L390-H419 VanDerWaalsContact CD2-CG 3.5Å; E392-H419 PolarHBondContact O-NE2 2.69Å; Y393-H419 AromaticContact CD2-CD2 3.83Å; Y393-H419 AromaticContact CD2-CE1 3.63Å; Y393-H419 AromaticContact CD2-CG 3.77Å; Y393-H419 AromaticContact CD2-ND1 3.67Å; Y393-H419 AromaticContact CD2-NE2 3.75Å; A415-H419 PolarHBondContact O-CD2 2.91Å; A415-H419 PolarHBondContact O-N 3.33Å; F416-H419 PolarHBondContact O-N 3.15Å; H419-V421 VanDerWaalsContact C-N 3.34Å; H419-V421 PolarHBondContact O-N 3.16Å; H419-D422 PolarHBondContact O-N 3.04Å; H419-Q423 WeakPolarHBondContact O-CG 3.42Å; H419-Q423 PolarHBondContact O-N 3.45Å
420M90.5Very high90Very high0 Ų032.9 Ų32.90%015%0.152CC..Hα-helixtrans-66.1-33.3177.9-68.8-70-75.200113.1L20 P22 W181 Y306 W384 F416 L417 L418L20-M420 HydrophobicContact CD2-CB 4.02Å; P22-M420 HydrophobicContact CG-CE 3.81Å; P22-M420 HydrophobicContact CG-SD 4.07Å; W181-M420 HydrophobicContact CH2-CE 4.49Å; W181-M420 HydrophobicContact CZ2-CE 4.4Å; Y306-M420 HydrophobicContact CD2-CE 4.33Å; Y306-M420 HydrophobicContact CE2-CE 3.61Å; W384-M420 HydrophobicContact CH2-SD 4.07Å; W384-M420 HydrophobicContact CZ3-SD 4.24Å; F416-M420 HydrophobicContact CD2-CG 4.32Å; F416-M420 HydrophobicContact CE1-CG 3.99Å; F416-M420 HydrophobicContact CE2-CG 3.79Å; F416-M420 HydrophobicContact CE2-SD 3.97Å; F416-M420 HydrophobicContact CZ-CE 4.38Å; F416-M420 HydrophobicContact CZ-CG 3.6Å; F416-M420 HydrophobicContact CZ-SD 3.83Å; F416-M420 VanDerWaalsContact O-CG 3.31Å; F416-M420 WeakPolarHBondContact O-CG 3.27Å; F416-M420 PolarHBondContact O-N 3.08Å; L417-M420 PolarHBondContact O-N 2.75Å; L418-M420 VanDerWaalsContact C-N 3.29Å; L418-M420 PolarHBondContact O-N 2.62Å
421V92Very high90Very high0 Ų035 Ų350%016%0.16CC..Hα-helixtrans-73.5-37.5174170.80000112.1I19 L20 F194 L198 L417 L418 H419 Q423 Y424 D425 Y428I19-V421 HydrophobicContact CG2-CG1 4.28Å; I19-V421 HydrophobicContact CG2-CG2 4.26Å; L20-V421 HydrophobicContact CD2-CG2 3.84Å; F194-V421 HydrophobicContact CE1-CG2 3.63Å; F194-V421 HydrophobicContact CZ-CG2 3.97Å; L198-V421 HydrophobicContact CD2-CG1 4.04Å; L198-V421 HydrophobicContact CD2-CG2 3.79Å; L417-V421 WeakPolarHBondContact O-CG2 3.44Å; L417-V421 PolarHBondContact O-N 2.92Å; L417-V421 VanDerWaalsContact O-N 3.09Å; L418-V421 PolarHBondContact O-N 3.03Å; H419-V421 VanDerWaalsContact C-N 3.34Å; H419-V421 PolarHBondContact O-N 3.16Å; V421-Q423 PolarHBondContact O-N 3.3Å; V421-Y424 WeakPolarHBondContact O-CA 3.08Å; V421-Y424 WeakPolarHBondContact O-CB 3.47Å; V421-Y424 PolarHBondContact O-N 3.17Å; V421-D425 PolarHBondContact O-N 3.15Å; V421-Y428 VanDerWaalsContact CG1-CB 3.48Å; V421-Y428 HydrophobicContact CG1-CG 4.18Å
422D90.3Very high90.1Very high26 Ų2630.2 Ų30.214%0.13914%0.139CC..Hα-helixtrans-65.1-28.3-180-153.588.8000112Y393 L418 H419 Y424 Q426 S429Y393-D422 HydrophobicContact CE2-CB 4.33Å; Y393-D422 PolarHBondContact OH-OD1 3.05Å; L418-D422 WeakPolarHBondContact O-CB 3.24Å; L418-D422 PolarHBondContact O-N 2.9Å; H419-D422 PolarHBondContact O-N 3.04Å; D422-Y424 VanDerWaalsContact C-N 3.25Å; D422-Y424 PolarHBondContact O-N 3.39Å; D422-Q426 PolarHBondContact OD2-NE2 2.91Å; D422-S429 WeakPolarHBondContact OD1-CB 3.48Å; D422-S429 PolarHBondContact OD1-OG 3.39Å
423Q90.2Very high89.9Confident78 Ų7827.9 Ų27.936%0.36413%0.127SC..THydrogen-bonded Turntrans-75.4-7.2170-59.6-61.1-8800114.3P22 W24 W384 H419 V421P22-Q423 HydrophobicContact CB-CB 4.1Å; P22-Q423 HydrophobicContact CG-CB 4.08Å; W24-Q423 HydrophobicContact CH2-CB 4.4Å; W24-Q423 HydrophobicContact CH2-CG 3.97Å; W384-Q423 HydrophobicContact CH2-CG 4.48Å; W384-Q423 HydrophobicContact CZ2-CG 3.78Å; H419-Q423 WeakPolarHBondContact O-CG 3.42Å; H419-Q423 PolarHBondContact O-N 3.45Å; V421-Q423 PolarHBondContact O-N 3.3Å
424Y89.9Confident89.8Confident118 Ų11827.9 Ų27.946%0.46313%0.127SC..THydrogen-bonded Turntrans-100.2-56.5172.4179.4-87.3000110.7I19 V421 D422 Y428I19-Y424 HydrophobicContact CB-CD1 4.5Å; I19-Y424 HydrophobicContact CG1-CE1 4.42Å; I19-Y424 HydrophobicContact CG2-CD1 3.97Å; I19-Y424 HydrophobicContact CG2-CE1 4.36Å; I19-Y424 HydrophobicContact CG2-CG 4.43Å; I19-Y424 WeakPolarHBondContact O-CB 3.41Å; V421-Y424 WeakPolarHBondContact O-CA 3.08Å; V421-Y424 WeakPolarHBondContact O-CB 3.47Å; V421-Y424 PolarHBondContact O-N 3.17Å; D422-Y424 VanDerWaalsContact C-N 3.25Å; D422-Y424 PolarHBondContact O-N 3.39Å; Y424-Y428 HydrophobicContact CD1-CE2 4.43Å; Y424-Y428 HydrophobicContact CE1-CE2 4.26Å
425D89.5Confident89.7Confident62 Ų6228.1 Ų28.133%0.33213%0.128SC..  trans-162122.5175174.313.2000111.8V421 L427 Y428V421-D425 PolarHBondContact O-N 3.15Å; D425-L427 PolarHBondContact O-N 2.86Å; D425-L427 WeakPolarHBondContact OD1-CB 3.49Å; D425-L427 PolarHBondContact OD1-N 3.16Å; D425-Y428 HydrophobicContact CB-CD2 3.96Å; D425-Y428 HydrophobicContact CB-CE2 4.32Å; D425-Y428 PolarHBondContact O-N 3.02Å
426Q86.8Confident89.5Confident73 Ų7329.1 Ų29.134%0.34113%0.134SC..Hα-helixtrans-67.7-12.8179.4-55.6-160.2-40.600114.2D422 Y428 S429 K430D422-Q426 PolarHBondContact OD2-NE2 2.91Å; Q426-Y428 PolarHBondContact O-N 3.41Å; Q426-S429 PolarHBondContact O-N 2.87Å; Q426-S429 PolarHBondContact O-OG 3.49Å; Q426-K430 WeakPolarHBondContact O-CG 3.44Å; Q426-K430 PolarHBondContact O-N 2.78Å; Q426-K430 VanDerWaalsContact O-N 3.11Å
427L87.2Confident89.3Confident68 Ų6829.2 Ų29.236%0.35613%0.134SC..Hα-helixtrans-66.1-29.3174.8-174.458.5000111.9F202 D425 R431F202-L427 HydrophobicContact CE2-CD2 3.84Å; F202-L427 HydrophobicContact CE2-CG 3.97Å; F202-L427 HydrophobicContact CZ-CD2 4.15Å; D425-L427 PolarHBondContact O-N 2.86Å; D425-L427 WeakPolarHBondContact OD1-CB 3.49Å; D425-L427 PolarHBondContact OD1-N 3.16Å; L427-R431 HydrophobicContact CD1-CG 4.32Å; L427-R431 WeakPolarHBondContact O-CB 3.48Å; L427-R431 WeakPolarHBondContact O-CG 3.45Å; L427-R431 PolarHBondContact O-N 3.27Å
428Y89.3Confident89Confident35 Ų3535.4 Ų35.414%0.13716%0.163CC..Hα-helixtrans-69.1-47175.6-77.6-84.2000112.3I19 L198 F202 V421 Y424 D425 Q426 R431 F432I19-Y428 HydrophobicContact CD1-CE1 4.3Å; L198-Y428 HydrophobicContact CD1-CD1 4.06Å; L198-Y428 HydrophobicContact CD2-CD1 4.09Å; L198-Y428 HydrophobicContact CG-CD1 3.78Å; L198-Y428 HydrophobicContact CG-CE1 4.47Å; F202-Y428 HydrophobicContact CB-CD1 4.09Å; F202-Y428 HydrophobicContact CB-CE1 3.79Å; F202-Y428 HydrophobicContact CD1-CE1 4.48Å; F202-Y428 AromaticContact CD2-CD1 3.61Å; F202-Y428 HydrophobicContact CD2-CD1 3.61Å; F202-Y428 HydrophobicContact CD2-CD2 4.41Å; F202-Y428 AromaticContact CD2-CE1 3.45Å; F202-Y428 HydrophobicContact CD2-CE1 3.45Å; F202-Y428 VanDerWaalsContact CD2-CE1 3.45Å; F202-Y428 HydrophobicContact CD2-CE2 4.25Å; F202-Y428 HydrophobicContact CD2-CG 4.11Å; F202-Y428 AromaticContact CD2-CZ 3.79Å; F202-Y428 HydrophobicContact CE2-CD1 4.41Å; F202-Y428 HydrophobicContact CE2-CD2 4.45Å; F202-Y428 HydrophobicContact CE2-CE1 4.13Å; F202-Y428 HydrophobicContact CE2-CE2 4.15Å; F202-Y428 AromaticContact CE2-CZ 3.99Å; F202-Y428 HydrophobicContact CG-CD1 4.13Å; F202-Y428 AromaticContact CG-CE1 3.65Å; F202-Y428 HydrophobicContact CG-CE1 3.65Å; V421-Y428 VanDerWaalsContact CG1-CB 3.48Å; V421-Y428 HydrophobicContact CG1-CG 4.18Å; Y424-Y428 HydrophobicContact CD1-CE2 4.43Å; Y424-Y428 HydrophobicContact CE1-CE2 4.26Å; D425-Y428 HydrophobicContact CB-CD2 3.96Å; D425-Y428 HydrophobicContact CB-CE2 4.32Å; D425-Y428 PolarHBondContact O-N 3.02Å; Q426-Y428 PolarHBondContact O-N 3.41Å; Y428-R431 PolarHBondContact O-N 2.89Å; Y428-F432 VanDerWaalsContact O-CB 3.23Å; Y428-F432 WeakPolarHBondContact O-CB 3.45Å; Y428-F432 PolarHBondContact O-N 3.1Å
429S87.7Confident88.7Confident2 Ų238.9 Ų38.91%0.01418%0.184CC..Hα-helixtrans-63.1-41.3176.9470000111.4Y393 D422 Q426 F432 G433Y393-S429 VanDerWaalsContact OH-CB 3.24Å; Y393-S429 WeakPolarHBondContact OH-CB 3.46Å; D422-S429 WeakPolarHBondContact OD1-CB 3.48Å; D422-S429 PolarHBondContact OD1-OG 3.39Å; Q426-S429 PolarHBondContact O-N 2.87Å; Q426-S429 PolarHBondContact O-OG 3.49Å; S429-F432 PolarHBondContact O-N 3Å; S429-G433 PolarHBondContact O-N 3.03Å
430K86.2Confident88.6Confident43 Ų4337.2 Ų37.219%0.18718%0.176CC..Hα-helixtrans-58-55.5172-75.4179.6175.1-172.90113.4V398 E401 Q426 F432 G433V398-K430 HydrophobicContact CG2-CG 4.13Å; E401-K430 IonicContact OE1-NZ 2.69Å; E401-K430 PolarHBondContact OE1-NZ 3.3Å; E401-K430 VanDerWaalsContact OE2-CE 3.32Å; E401-K430 WeakPolarHBondContact OE2-CE 3.31Å; E401-K430 IonicContact OE2-NZ 3.51Å; E401-K430 PolarHBondContact OE2-NZ 3.39Å; Q426-K430 WeakPolarHBondContact O-CG 3.44Å; Q426-K430 PolarHBondContact O-N 2.78Å; Q426-K430 VanDerWaalsContact O-N 3.11Å; K430-F432 VanDerWaalsContact C-N 3.27Å; K430-F432 PolarHBondContact O-N 3.23Å; K430-G433 PolarHBondContact O-N 3.27Å
431R88.7Confident88.5Confident45 Ų4538.2 Ų38.217%0.1718%0.181CC..Hα-helixtrans-64.2-31.2-179.8-75.1-174.7177.1-142.9-11.4112.8F202 T207 T208 L211 L427 Y428F202-R431 PolarHBondContact O-NH1 2.96Å; T207-R431 HydrophobicContact CG2-CB 4.31Å; T208-R431 PolarHBondContact OG1-NH2 2.88Å; L211-R431 HydrophobicContact CD1-CG 4.19Å; L427-R431 HydrophobicContact CD1-CG 4.32Å; L427-R431 WeakPolarHBondContact O-CB 3.48Å; L427-R431 WeakPolarHBondContact O-CG 3.45Å; L427-R431 PolarHBondContact O-N 3.27Å; Y428-R431 PolarHBondContact O-N 2.89Å
432F90.7Very high88.1Confident0 Ų040.7 Ų40.70%019%0.194CC..Hα-helixtrans-71.2-40.5175.1-166.1-76.6000112.1I197 L198 C201 V289 F414 Y428 S429 K430 V434 F435 L436I197-F432 HydrophobicContact CG2-CE2 3.85Å; L198-F432 HydrophobicContact CD1-CB 4.25Å; L198-F432 HydrophobicContact CD1-CD2 3.73Å; L198-F432 HydrophobicContact CD1-CG 4.36Å; C201-F432 HydrophobicContact CB-CD2 4.33Å; V289-F432 HydrophobicContact CG1-CE1 3.96Å; V289-F432 HydrophobicContact CG1-CZ 3.8Å; V289-F432 HydrophobicContact CG2-CE2 4.29Å; V289-F432 HydrophobicContact CG2-CZ 4.06Å; F414-F432 HydrophobicContact CE1-CE1 4.4Å; F414-F432 HydrophobicContact CE2-CZ 4.22Å; F414-F432 AromaticContact CZ-CE1 3.61Å; F414-F432 HydrophobicContact CZ-CE1 3.61Å; F414-F432 AromaticContact CZ-CZ 3.7Å; F414-F432 HydrophobicContact CZ-CZ 3.7Å; Y428-F432 VanDerWaalsContact O-CB 3.23Å; Y428-F432 WeakPolarHBondContact O-CB 3.45Å; Y428-F432 PolarHBondContact O-N 3.1Å; S429-F432 PolarHBondContact O-N 3Å; K430-F432 VanDerWaalsContact C-N 3.27Å; K430-F432 PolarHBondContact O-N 3.23Å; F432-V434 PolarHBondContact O-N 3.07Å; F432-F435 PolarHBondContact O-N 2.94Å; F432-L436 HydrophobicContact CD1-CD1 3.98Å; F432-L436 HydrophobicContact CD1-CG 4.13Å; F432-L436 HydrophobicContact CE1-CD1 3.9Å; F432-L436 HydrophobicContact CE1-CD2 4.06Å; F432-L436 HydrophobicContact CE1-CG 3.85Å
433G87.4Confident87.8Confident0 Ų041.5 Ų41.50%020%0.197CC..Hα-helixtrans-55.5-35.6179.400000113.7S429 K430 F435 L436 S437S429-G433 PolarHBondContact O-N 3.03Å; K430-G433 PolarHBondContact O-N 3.27Å; G433-F435 VanDerWaalsContact C-N 3.25Å; G433-F435 PolarHBondContact O-N 3.32Å; G433-L436 WeakPolarHBondContact O-CB 3.36Å; G433-L436 PolarHBondContact O-N 2.84Å; G433-S437 PolarHBondContact O-N 2.83Å
434V87.7Confident87.7Confident1 Ų138 Ų381%0.00618%0.18CC..Hα-helixtrans-57.5-36.6174-177.60000112.2A210 L211 F432 L436 S437 S440A210-V434 HydrophobicContact CB-CG1 3.89Å; L211-V434 HydrophobicContact CD1-CG2 4.4Å; L211-V434 HydrophobicContact CD2-CG2 3.82Å; L211-V434 HydrophobicContact CG-CG2 3.98Å; F432-V434 PolarHBondContact O-N 3.07Å; V434-L436 VanDerWaalsContact C-N 3.25Å; V434-L436 PolarHBondContact O-N 3.15Å; V434-S437 PolarHBondContact O-N 3.5Å; V434-S440 VanDerWaalsContact CG1-OG 3.29Å; V434-S440 WeakPolarHBondContact CG1-OG 3.19Å; V434-S440 WeakPolarHBondContact O-CB 3.16Å
435F89.4Confident87.5Confident4 Ų436.7 Ų36.72%0.01817%0.174CC..THydrogen-bonded Turntrans-79.90176.6-75.5-68.3000114.4C201 W206 T207 A282 L285 F286 V289 F432 G433C201-F435 HydrophobicContact CB-CD2 3.78Å; C201-F435 HydrophobicContact CB-CE2 3.92Å; C201-F435 VanDerWaalsContact SG-CD2 3.52Å; W206-F435 AromaticContact CD1-CE1 3.9Å; T207-F435 HydrophobicContact CG2-CD2 3.85Å; T207-F435 HydrophobicContact CG2-CE2 3.22Å; T207-F435 HydrophobicContact CG2-CZ 3.94Å; A282-F435 HydrophobicContact CB-CE1 4.21Å; L285-F435 HydrophobicContact CB-CE1 4.26Å; L285-F435 HydrophobicContact CD2-CD2 4.44Å; L285-F435 HydrophobicContact CD2-CE1 4.13Å; L285-F435 HydrophobicContact CD2-CE2 3.84Å; L285-F435 HydrophobicContact CD2-CZ 3.69Å; L285-F435 HydrophobicContact CG-CD1 4.49Å; L285-F435 HydrophobicContact CG-CE1 4.29Å; L285-F435 HydrophobicContact CG-CZ 4.33Å; F286-F435 HydrophobicContact CD1-CD1 4.06Å; F286-F435 WeakPolarHBondContact CD1-O 3.39Å; F286-F435 AromaticContact CD2-CD1 3.69Å; F286-F435 HydrophobicContact CD2-CD1 3.69Å; F286-F435 AromaticContact CD2-CE1 3.9Å; F286-F435 HydrophobicContact CD2-CE1 3.9Å; F286-F435 HydrophobicContact CE1-CB 4.45Å; F286-F435 HydrophobicContact CE1-CD1 4.01Å; F286-F435 AromaticContact CE2-CD1 3.61Å; F286-F435 HydrophobicContact CE2-CD1 3.61Å; F286-F435 AromaticContact CE2-CE1 3.75Å; F286-F435 HydrophobicContact CE2-CE1 3.75Å; F286-F435 AromaticContact CG-CD1 3.91Å; F286-F435 HydrophobicContact CG-CD1 3.91Å; F286-F435 AromaticContact CZ-CD1 3.77Å; F286-F435 HydrophobicContact CZ-CD1 3.77Å; F286-F435 HydrophobicContact CZ-CE1 4.29Å; V289-F435 HydrophobicContact CG1-CB 4.46Å; V289-F435 HydrophobicContact CG2-CB 4.15Å; F432-F435 PolarHBondContact O-N 2.94Å; G433-F435 VanDerWaalsContact C-N 3.25Å; G433-F435 PolarHBondContact O-N 3.32Å
436L88.4Confident87.3Confident22 Ų2237 Ų3712%0.11517%0.174CC..THydrogen-bonded Turntrans-101.3-9.4170.3-66173.2000113.1V289 F395 I407 P408 V410 F432 G433 V434V289-L436 HydrophobicContact CG1-CD2 3.64Å; V289-L436 HydrophobicContact CG1-CG 4.37Å; F395-L436 HydrophobicContact CD2-CD1 4.47Å; F395-L436 HydrophobicContact CE2-CD1 3.6Å; F395-L436 HydrophobicContact CZ-CD1 3.65Å; I407-L436 HydrophobicContact CG2-CB 4.31Å; P408-L436 VanDerWaalsContact CD-O 3.26Å; P408-L436 WeakPolarHBondContact CD-O 3.41Å; P408-L436 HydrophobicContact CG-CB 4.28Å; V410-L436 HydrophobicContact CG1-CD1 4.32Å; F432-L436 HydrophobicContact CD1-CD1 3.98Å; F432-L436 HydrophobicContact CD1-CG 4.13Å; F432-L436 HydrophobicContact CE1-CD1 3.9Å; F432-L436 HydrophobicContact CE1-CD2 4.06Å; F432-L436 HydrophobicContact CE1-CG 3.85Å; G433-L436 WeakPolarHBondContact O-CB 3.36Å; G433-L436 PolarHBondContact O-N 2.84Å; V434-L436 VanDerWaalsContact C-N 3.25Å; V434-L436 PolarHBondContact O-N 3.15Å
437S89.1Confident87.2Confident2 Ų235.9 Ų35.91%0.01417%0.17CC..  trans-83.1126.5178.1170.70000111.6F286 F404 D406 G433 V434 V439 S440 E441F286-S437 WeakPolarHBondContact CE1-O 3.39Å; F404-S437 WeakPolarHBondContact CD1-OG 3.14Å; D406-S437 WeakPolarHBondContact OD1-CB 3.4Å; D406-S437 PolarHBondContact OD1-OG 2.65Å; D406-S437 WeakPolarHBondContact OD2-CA 3.41Å; D406-S437 PolarHBondContact OD2-OG 2.71Å; G433-S437 PolarHBondContact O-N 2.83Å; V434-S437 PolarHBondContact O-N 3.5Å; S437-V439 PolarHBondContact OG-N 2.84Å; S437-S440 PolarHBondContact O-N 2.87Å; S437-S440 PolarHBondContact OG-N 3.16Å; S437-E441 PolarHBondContact O-N 3.27Å; S437-E441 VanDerWaalsContact O-N 3.11Å
438E86.4Confident87.1Confident130 Ų13033.7 Ų33.761%0.60716%0.16SC*.Hα-helixtrans-73.8-31.8171.4178.7167.7-167.100111D406 S440 E441 N442D406-E438 PolarHBondContact OD2-N 3.31Å; E438-S440 VanDerWaalsContact C-N 3.33Å; E438-S440 PolarHBondContact O-N 3.45Å; E438-E441 PolarHBondContact O-N 3.46Å; E438-N442 WeakPolarHBondContact O-CB 3.4Å; E438-N442 PolarHBondContact O-N 2.9Å; E438-N442 PolarHBondContact O-ND2 2.91Å; E438-N442 VanDerWaalsContact O-ND2 3.15Å
439V85.6Confident87.1Confident73 Ų7332.6 Ų32.644%0.44216%0.157SC..Hα-helixtrans-62.2-41171.5176.40000110.7F404 D406 S437 N442 K443F404-V439 HydrophobicContact CD1-CB 4.3Å; F404-V439 HydrophobicContact CD1-CG1 4.23Å; F404-V439 HydrophobicContact CE1-CG1 4.25Å; D406-V439 HydrophobicContact CB-CG2 4.19Å; D406-V439 PolarHBondContact OD2-N 3.03Å; S437-V439 PolarHBondContact OG-N 2.84Å; V439-N442 PolarHBondContact O-N 3.39Å; V439-K443 PolarHBondContact O-N 3.14Å
440S87.3Confident87Confident0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-65.8-42.2173.2-1660000112.2W206 V434 S437 E438 N442 K443 L444W206-S440 WeakPolarHBondContact CZ2-O 3.31Å; W206-S440 PolarHBondContact NE1-OG 3.44Å; V434-S440 VanDerWaalsContact CG1-OG 3.29Å; V434-S440 WeakPolarHBondContact CG1-OG 3.19Å; V434-S440 WeakPolarHBondContact O-CB 3.16Å; S437-S440 PolarHBondContact O-N 2.87Å; S437-S440 PolarHBondContact OG-N 3.16Å; E438-S440 VanDerWaalsContact C-N 3.33Å; E438-S440 PolarHBondContact O-N 3.45Å; S440-N442 VanDerWaalsContact C-N 3.28Å; S440-N442 PolarHBondContact O-N 3.37Å; S440-K443 PolarHBondContact O-N 3.33Å; S440-L444 PolarHBondContact O-N 3Å
441E88.1Confident87Confident21 Ų2137 Ų3710%0.09818%0.179CC..Hα-helixtrans-61.7-37.7175.4-162.3-177.2153.100111.6F286 R290 S437 E438 L444 R445F286-E441 HydrophobicContact CB-CG 4.31Å; F286-E441 HydrophobicContact CD1-CB 3.87Å; F286-E441 HydrophobicContact CD1-CG 3.96Å; F286-E441 HydrophobicContact CD2-CG 4.11Å; F286-E441 HydrophobicContact CE1-CB 3.73Å; F286-E441 HydrophobicContact CE1-CG 4.26Å; F286-E441 HydrophobicContact CE2-CB 4.41Å; F286-E441 HydrophobicContact CE2-CG 4.43Å; F286-E441 HydrophobicContact CG-CB 4.28Å; F286-E441 HydrophobicContact CG-CG 3.88Å; F286-E441 HydrophobicContact CZ-CB 4.03Å; F286-E441 HydrophobicContact CZ-CG 4.5Å; R290-E441 IonicContact CZ-OE2 2.84Å; R290-E441 VanDerWaalsContact NH2-CD 3.29Å; R290-E441 IonicContact NH2-OE1 3.37Å; R290-E441 PolarHBondContact NH2-OE1 2.71Å; R290-E441 VanDerWaalsContact NH2-OE1 3.14Å; R290-E441 IonicContact NH2-OE2 3.7Å; R290-E441 PolarHBondContact NH2-OE2 2.64Å; S437-E441 PolarHBondContact O-N 3.27Å; S437-E441 VanDerWaalsContact O-N 3.11Å; E438-E441 PolarHBondContact O-N 3.46Å; E441-L444 PolarHBondContact O-N 3.27Å; E441-R445 WeakPolarHBondContact O-CD 3.29Å; E441-R445 WeakPolarHBondContact O-CG 3.42Å; E441-R445 PolarHBondContact O-N 2.93Å; E441-R445 IonicContact OE1-CZ 2.64Å; E441-R445 IonicContact OE1-NE 2.69Å; E441-R445 PolarHBondContact OE1-NE 2.96Å; E441-R445 IonicContact OE1-NH2 2.71Å; E441-R445 PolarHBondContact OE1-NH2 2.84Å
442N85.1Confident86.8Confident52 Ų5238.5 Ų38.528%0.27819%0.188SC..Hα-helixtrans-72.2-42177.1-72.1-37.7000112.8E438 V439 S440 L444 R445 E446E438-N442 WeakPolarHBondContact O-CB 3.4Å; E438-N442 PolarHBondContact O-N 2.9Å; E438-N442 PolarHBondContact O-ND2 2.91Å; E438-N442 VanDerWaalsContact O-ND2 3.15Å; V439-N442 PolarHBondContact O-N 3.39Å; S440-N442 VanDerWaalsContact C-N 3.28Å; S440-N442 PolarHBondContact O-N 3.37Å; N442-L444 VanDerWaalsContact C-N 3.27Å; N442-L444 PolarHBondContact O-N 3.38Å; N442-R445 PolarHBondContact O-N 2.91Å; N442-R445 VanDerWaalsContact O-N 3.14Å; N442-R445 WeakPolarHBondContact OD1-CD 3.26Å; N442-R445 PolarHBondContact OD1-NH1 2.96Å; N442-E446 WeakPolarHBondContact O-CB 3.28Å; N442-E446 PolarHBondContact O-N 3.35Å
443K84.4Confident86.8Confident43 Ų4340.4 Ų40.419%0.18720%0.195CC..Hα-helixtrans-56.8-40.1169.2-81.4-167.7170.2-167.60111.6W206 E213 E217 V439 S440 E446 I447W206-K443 HydrophobicContact CH2-CB 4.24Å; W206-K443 HydrophobicContact CZ2-CB 4.41Å; E213-K443 WeakPolarHBondContact OE1-CD 3.25Å; E213-K443 WeakPolarHBondContact OE1-CE 3.3Å; E213-K443 IonicContact OE1-NZ 3.16Å; E213-K443 PolarHBondContact OE1-NZ 3.37Å; E217-K443 IonicContact OE1-NZ 3.7Å; E217-K443 PolarHBondContact OE1-NZ 3.42Å; E217-K443 IonicContact OE2-NZ 3.88Å; V439-K443 PolarHBondContact O-N 3.14Å; S440-K443 PolarHBondContact O-N 3.33Å; K443-E446 PolarHBondContact O-N 3.1Å; K443-I447 WeakPolarHBondContact O-CG1 3.41Å; K443-I447 PolarHBondContact O-N 2.81Å
444L87.6Confident86.9Confident4 Ų444.1 Ų44.12%0.02122%0.218CC..Hα-helixtrans-64.5-43.5174.8177.361.6000112.3W206 L274 A282 K283 F286 S440 E441 N442 E446 S448W206-L444 HydrophobicContact CD2-CB 4.45Å; W206-L444 HydrophobicContact CD2-CD1 4.01Å; W206-L444 HydrophobicContact CE3-CD1 3.85Å; W206-L444 HydrophobicContact CH2-CB 3.95Å; W206-L444 HydrophobicContact CH2-CD1 4.41Å; W206-L444 HydrophobicContact CZ2-CB 3.66Å; W206-L444 HydrophobicContact CZ3-CB 4.45Å; W206-L444 HydrophobicContact CZ3-CD1 4.06Å; L274-L444 HydrophobicContact CD2-CD1 3.87Å; A282-L444 HydrophobicContact CB-CD1 4.43Å; A282-L444 HydrophobicContact CB-CD2 3.62Å; K283-L444 HydrophobicContact CB-CD2 4.36Å; F286-L444 HydrophobicContact CD2-CD2 3.84Å; F286-L444 HydrophobicContact CE2-CD2 3.64Å; S440-L444 PolarHBondContact O-N 3Å; E441-L444 PolarHBondContact O-N 3.27Å; N442-L444 VanDerWaalsContact C-N 3.27Å; N442-L444 PolarHBondContact O-N 3.38Å; L444-E446 VanDerWaalsContact C-N 3.34Å; L444-S448 VanDerWaalsContact O-CB 3.25Å; L444-S448 WeakPolarHBondContact O-CB 3.23Å; L444-S448 PolarHBondContact O-N 2.88Å
445R86.1Confident87Confident90 Ų9047.8 Ų47.834%0.3423%0.234SC..Hα-helixtrans-62.4-40.4176.9-70.9161.5179.7-170.1-1.6111.6E441 N442 S448 L449E441-R445 WeakPolarHBondContact O-CD 3.29Å; E441-R445 WeakPolarHBondContact O-CG 3.42Å; E441-R445 PolarHBondContact O-N 2.93Å; E441-R445 IonicContact OE1-CZ 2.64Å; E441-R445 IonicContact OE1-NE 2.69Å; E441-R445 PolarHBondContact OE1-NE 2.96Å; E441-R445 IonicContact OE1-NH2 2.71Å; E441-R445 PolarHBondContact OE1-NH2 2.84Å; N442-R445 PolarHBondContact O-N 2.91Å; N442-R445 VanDerWaalsContact O-N 3.14Å; N442-R445 WeakPolarHBondContact OD1-CD 3.26Å; N442-R445 PolarHBondContact OD1-NH1 2.96Å; R445-S448 PolarHBondContact O-N 3.4Å; R445-L449 VanDerWaalsContact O-CB 3.28Å; R445-L449 WeakPolarHBondContact O-CB 3.44Å; R445-L449 PolarHBondContact O-N 3.16Å
446E84.1Confident87.1Confident70 Ų7052.8 Ų52.833%0.32726%0.257SS..Hα-helixtrans-62.4-50.7177.3-167.1164.9176.900111.1N442 K443 L444 S448 L449 N450 K502N442-E446 WeakPolarHBondContact O-CB 3.28Å; N442-E446 PolarHBondContact O-N 3.35Å; K443-E446 PolarHBondContact O-N 3.1Å; L444-E446 VanDerWaalsContact C-N 3.34Å; E446-S448 PolarHBondContact O-N 2.94Å; E446-L449 WeakPolarHBondContact O-CB 3.29Å; E446-L449 PolarHBondContact O-N 3.47Å; E446-N450 PolarHBondContact O-N 3.26Å; E446-K502 IonicContact OE1-NZ 2.76Å; E446-K502 PolarHBondContact OE1-NZ 3.36Å; E446-K502 VanDerWaalsContact OE1-NZ 3.1Å; E446-K502 IonicContact OE2-NZ 3.75Å; E446-K502 PolarHBondContact OE2-NZ 2.93Å
447I84.4Confident87.2Confident49 Ų4955 Ų5525%0.25127%0.266SS..Hα-helixtrans-62.9-41.3175.7-68.1167.3000111.8W206 K443 L449 N450 H451W206-I447 HydrophobicContact CH2-CD1 3.96Å; W206-I447 HydrophobicContact CZ3-CD1 3.83Å; K443-I447 WeakPolarHBondContact O-CG1 3.41Å; K443-I447 PolarHBondContact O-N 2.81Å; I447-L449 VanDerWaalsContact C-N 3.35Å; I447-N450 PolarHBondContact O-N 3.4Å; I447-H451 PolarHBondContact O-N 3.35Å; I447-H451 VanDerWaalsContact O-N 3.08Å
448S86.4Confident87.4Confident22 Ų2254.9 Ų54.915%0.15427%0.265CS..Hα-helixtrans-64.5-38.2176.6-172.70000112.2L444 R445 E446 H451 E452L444-S448 VanDerWaalsContact O-CB 3.25Å; L444-S448 WeakPolarHBondContact O-CB 3.23Å; L444-S448 PolarHBondContact O-N 2.88Å; R445-S448 PolarHBondContact O-N 3.4Å; E446-S448 PolarHBondContact O-N 2.94Å; S448-H451 PolarHBondContact O-N 2.93Å; S448-E452 WeakPolarHBondContact O-CG 3.16Å; S448-E452 PolarHBondContact O-N 3.24Å
449L87.6Confident87.6Confident12 Ų1254.7 Ų54.76%0.06326%0.259CS..Hα-helixtrans-65.2-46.5177.3-174.675.9000110.7R445 E446 I447 H451 E452 W453 L477 G479 P481R445-L449 VanDerWaalsContact O-CB 3.28Å; R445-L449 WeakPolarHBondContact O-CB 3.44Å; R445-L449 PolarHBondContact O-N 3.16Å; E446-L449 WeakPolarHBondContact O-CB 3.29Å; E446-L449 PolarHBondContact O-N 3.47Å; I447-L449 VanDerWaalsContact C-N 3.35Å; L449-H451 VanDerWaalsContact C-N 3.28Å; L449-H451 PolarHBondContact O-N 3.26Å; L449-E452 PolarHBondContact O-N 3.03Å; L449-E452 VanDerWaalsContact O-N 3.12Å; L449-W453 WeakPolarHBondContact O-CB 3.48Å; L449-W453 PolarHBondContact O-N 3.01Å; L449-L477 HydrophobicContact CD1-CB 4.28Å; L449-L477 HydrophobicContact CD1-CD1 4.46Å; L449-L477 HydrophobicContact CD1-CD2 4.26Å; L449-G479 WeakPolarHBondContact CD2-O 3.25Å; L449-P481 HydrophobicContact CD2-CB 4.45Å; L449-P481 HydrophobicContact CD2-CG 3.96Å; L449-P481 HydrophobicContact CG-CB 4.44Å; L449-P481 HydrophobicContact CG-CG 4.01Å
450N86.6Confident87.9Confident46 Ų4658 Ų5825%0.24627%0.27CS..Hα-helixtrans-60.2-36.2176.4-77.5-14.3000112.6E446 I447 P481 D482E446-N450 PolarHBondContact O-N 3.26Å; I447-N450 PolarHBondContact O-N 3.4Å; N450-P481 WeakPolarHBondContact OD1-CA 3.28Å; N450-D482 PolarHBondContact ND2-OD2 3.11Å; N450-D482 PolarHBondContact OD1-N 3.42Å
451H85.3Confident88.1Confident90 Ų9063 Ų6342%0.41729%0.293SS..Hα-helixtrans-73.4-31.3174.9-165.995000113I447 S448 L449I447-H451 PolarHBondContact O-N 3.35Å; I447-H451 VanDerWaalsContact O-N 3.08Å; S448-H451 PolarHBondContact O-N 2.93Å; L449-H451 VanDerWaalsContact C-N 3.28Å; L449-H451 PolarHBondContact O-N 3.26Å
452E86.1Confident88.3Confident77 Ų7763.6 Ų63.636%0.3630%0.298SS..Hα-helixtrans-81.5-19.2176.9-75.2-166.4160.200114.4K276 S448 L449 K457K276-E452 WeakPolarHBondContact CE-OE1 3.43Å; K276-E452 IonicContact NZ-OE1 2.89Å; K276-E452 PolarHBondContact NZ-OE1 3.22Å; S448-E452 WeakPolarHBondContact O-CG 3.16Å; S448-E452 PolarHBondContact O-N 3.24Å; L449-E452 PolarHBondContact O-N 3.03Å; L449-E452 VanDerWaalsContact O-N 3.12Å; E452-K457 VanDerWaalsContact O-CD 3.26Å; E452-K457 WeakPolarHBondContact O-CD 3.29Å; E452-K457 PolarHBondContact O-NZ 3.15Å
453W89.1Confident88.7Confident41 Ų4163.9 Ų63.916%0.15530%0.304CS..SBendtrans-121.268.1-176-70.594.9000111.6L449 K457 L458 H461 L477 P481L449-W453 WeakPolarHBondContact O-CB 3.48Å; L449-W453 PolarHBondContact O-N 3.01Å; W453-K457 HydrophobicContact CD2-CD 4.45Å; W453-K457 HydrophobicContact CE3-CD 4Å; W453-K457 HydrophobicContact CE3-CG 4.23Å; W453-K457 HydrophobicContact CZ3-CD 4.3Å; W453-K457 VanDerWaalsContact CZ3-CE 3.48Å; W453-K457 HydrophobicContact CZ3-CG 4.33Å; W453-L458 HydrophobicContact CB-CD2 4.38Å; W453-L458 HydrophobicContact CB-CG 4.39Å; W453-L458 HydrophobicContact CD2-CD2 4.35Å; W453-L458 HydrophobicContact CE3-CD2 3.58Å; W453-L458 HydrophobicContact CE3-CG 4.19Å; W453-L458 HydrophobicContact CZ3-CD2 4.26Å; W453-H461 AromaticContact CZ3-CD2 3.82Å; W453-L477 HydrophobicContact CZ2-CD2 3.87Å; W453-P481 HydrophobicContact CB-CB 3.79Å; W453-P481 HydrophobicContact CB-CG 3.71Å; W453-P481 HydrophobicContact CG-CG 3.95Å
454T90.3Very high89Confident78 Ų7870.5 Ų70.548%0.47933%0.328SS..  trans-66.1154.2172.560.40000111.9E456 K457 L458T454-E456 VanDerWaalsContact C-N 3.3Å; T454-E456 PolarHBondContact O-N 3.34Å; T454-K457 PolarHBondContact O-N 3.19Å; T454-L458 PolarHBondContact O-N 3.05Å
455F89.6Confident89Confident78 Ų7871.8 Ų71.834%0.34234%0.335SS..Hα-helixtrans-45.6-48.9177.7178.3-91.1000113.4K457 L458 R459 D486 L487F455-K457 PolarHBondContact O-N 3.07Å; F455-L458 PolarHBondContact O-N 3.02Å; F455-R459 WeakPolarHBondContact O-CB 3.46Å; F455-R459 PolarHBondContact O-N 3.22Å; F455-D486 HydrophobicContact CD2-CB 3.96Å; F455-D486 HydrophobicContact CE2-CB 4.19Å; F455-L487 HydrophobicContact CD2-CD2 4Å; F455-L487 HydrophobicContact CD2-CG 4.29Å; F455-L487 HydrophobicContact CE2-CD2 3.48Å; F455-L487 VanDerWaalsContact CE2-CD2 3.48Å; F455-L487 HydrophobicContact CE2-CG 4.03Å; F455-L487 HydrophobicContact CZ-CD2 3.84Å
456E91Very high89Confident108 Ų10872.9 Ų72.951%0.50536%0.363SS..Hα-helixtrans-65.1-37.7-177.5-172.258.3-154.500112.5T454 R459 Q460T454-E456 VanDerWaalsContact C-N 3.3Å; T454-E456 PolarHBondContact O-N 3.34Å; E456-R459 PolarHBondContact O-N 2.8Å; E456-Q460 WeakPolarHBondContact O-CG 3.47Å; E456-Q460 PolarHBondContact O-N 2.69Å
457K91.9Very high89.1Confident69 Ų6975.6 Ų75.630%0.338%0.376SS..Hα-helixtrans-68-42.8174.7179.5-175.1165-165.20111E452 W453 T454 F455 R459 Q460 H461E452-K457 VanDerWaalsContact O-CD 3.26Å; E452-K457 WeakPolarHBondContact O-CD 3.29Å; E452-K457 PolarHBondContact O-NZ 3.15Å; W453-K457 HydrophobicContact CD2-CD 4.45Å; W453-K457 HydrophobicContact CE3-CD 4Å; W453-K457 HydrophobicContact CE3-CG 4.23Å; W453-K457 HydrophobicContact CZ3-CD 4.3Å; W453-K457 VanDerWaalsContact CZ3-CE 3.48Å; W453-K457 HydrophobicContact CZ3-CG 4.33Å; T454-K457 PolarHBondContact O-N 3.19Å; F455-K457 PolarHBondContact O-N 3.07Å; K457-R459 VanDerWaalsContact C-N 3.3Å; K457-R459 PolarHBondContact O-N 2.94Å; K457-Q460 PolarHBondContact O-N 2.83Å; K457-H461 PolarHBondContact O-CD2 2.75Å
458L92.4Very high89.3Confident0 Ų081.1 Ų81.10%040%0.4CS..Hα-helixtrans-61.6-39.8175.1-71166.5000111.4W453 T454 F455 Q460 H461 V462 L472 L474 A483 V484 L487W453-L458 HydrophobicContact CB-CD2 4.38Å; W453-L458 HydrophobicContact CB-CG 4.39Å; W453-L458 HydrophobicContact CD2-CD2 4.35Å; W453-L458 HydrophobicContact CE3-CD2 3.58Å; W453-L458 HydrophobicContact CE3-CG 4.19Å; W453-L458 HydrophobicContact CZ3-CD2 4.26Å; T454-L458 PolarHBondContact O-N 3.05Å; F455-L458 PolarHBondContact O-N 3.02Å; L458-Q460 VanDerWaalsContact C-N 3.29Å; L458-Q460 PolarHBondContact O-N 3.14Å; L458-H461 WeakPolarHBondContact O-CA 3.29Å; L458-H461 PolarHBondContact O-N 2.59Å; L458-V462 PolarHBondContact O-N 3.06Å; L458-L472 HydrophobicContact CD2-CD2 4.47Å; L458-L474 HydrophobicContact CD2-CD2 4.02Å; L458-A483 VanDerWaalsContact CD1-C 3.48Å; L458-A483 HydrophobicContact CD1-CB 3.75Å; L458-V484 HydrophobicContact CD1-CG2 3.8Å; L458-V484 HydrophobicContact CD2-CG2 4.01Å; L458-L487 HydrophobicContact CB-CD1 3.98Å
459R91.4Very high89.4Confident125 Ų12582.5 Ų82.547%0.47240%0.404SS..Hα-helixtrans-61.3-34.5178.1-159.9174.2-159.4178.88.8113.3F455 E456 K457 H461 V462 D489F455-R459 WeakPolarHBondContact O-CB 3.46Å; F455-R459 PolarHBondContact O-N 3.22Å; E456-R459 PolarHBondContact O-N 2.8Å; K457-R459 VanDerWaalsContact C-N 3.3Å; K457-R459 PolarHBondContact O-N 2.94Å; R459-H461 PolarHBondContact O-N 3.12Å; R459-V462 PolarHBondContact O-N 3.4Å; R459-D489 IonicContact NH2-OD2 2.67Å
460Q91.4Very high89.7Confident144 Ų14484 Ų8467%0.67341%0.41SS*.Hα-helixtrans-67.8-17.8173.8-67.9169.617.300113.6E456 K457 L458E456-Q460 WeakPolarHBondContact O-CG 3.47Å; E456-Q460 PolarHBondContact O-N 2.69Å; K457-Q460 PolarHBondContact O-N 2.83Å; L458-Q460 VanDerWaalsContact C-N 3.29Å; L458-Q460 PolarHBondContact O-N 3.14Å
461H91.1Very high90Very high104 Ų10483.1 Ų83.148%0.48140%0.404SS..THydrogen-bonded Turntrans-97.8-0.6174.6-74.3-78.5000113.8W453 K457 L458 R459 L472W453-H461 AromaticContact CZ3-CD2 3.82Å; K457-H461 PolarHBondContact O-CD2 2.75Å; L458-H461 WeakPolarHBondContact O-CA 3.29Å; L458-H461 PolarHBondContact O-N 2.59Å; R459-H461 PolarHBondContact O-N 3.12Å; H461-L472 HydrophobicContact CB-CD1 3.95Å
462V92.9Very high90.5Very high33 Ų3378.8 Ų78.820%0.239%0.385CS..EExtended strand (participates in β ladder)trans-75.7129.5171.8-179.90000109.3L458 R459 Q470 L472 L487 L490L458-V462 PolarHBondContact O-N 3.06Å; R459-V462 PolarHBondContact O-N 3.4Å; V462-Q470 HydrophobicContact CG1-CB 4.24Å; V462-L472 HydrophobicContact CG2-CD1 4.25Å; V462-L487 HydrophobicContact CG2-CD1 4.31Å; V462-L490 HydrophobicContact CG1-CD2 3.83Å; V462-L490 HydrophobicContact CG2-CD2 4.09Å
463S92.4Very high90.9Very high59 Ų5979.2 Ų79.241%0.41339%0.386SS..EExtended strand (participates in β ladder)trans-123.6166.7179.370.40000111.4E471S463-E471 PolarHBondContact N-O 2.95Å; S463-E471 PolarHBondContact O-N 3.16Å; S463-E471 WeakPolarHBondContact OG-CG 3.41Å
464R91.9Very high91.1Very high181 Ų18177.5 Ų77.568%0.68338%0.38SS*.EExtended strand (participates in β ladder)trans-104.5133.5168.4-82.7-172.4173.7155.24.1110.5K469 Q470R464-K469 WeakPolarHBondContact CA-O 3.43Å; R464-Q470 HydrophobicContact CG-CG 4.24Å
465N87.9Confident91.2Very high32 Ų3278.6 Ų78.617%0.17138%0.379CS..  trans-92.7178.317974.524.7000112.6Q467 E468 K469 E471N465-Q467 PolarHBondContact O-N 2.81Å; N465-Q467 WeakPolarHBondContact OD1-CA 3.47Å; N465-Q467 WeakPolarHBondContact OD1-CB 3.16Å; N465-Q467 PolarHBondContact OD1-N 3.18Å; N465-E468 WeakPolarHBondContact O-CA 3.22Å; N465-E468 PolarHBondContact O-N 2.67Å; N465-K469 PolarHBondContact N-O 3.35Å; N465-K469 VanDerWaalsContact N-O 3.09Å; N465-E471 HydrophobicContact CB-CG 4.18Å; N465-E471 WeakPolarHBondContact CB-OE2 3.47Å; N465-E471 PolarHBondContact ND2-OE2 2.89Å
466A85.5Confident91.2Very high112 Ų11280.9 Ų80.993%0.92639%0.392SS*.THydrogen-bonded Turntrans-670.6-178.300000114.9
467Q86.1Confident91.2Very high128 Ų12876.6 Ų76.660%0.59837%0.372SS*.THydrogen-bonded Turntrans-111.514.4173.3-52.51711.300111.1N465 K469N465-Q467 PolarHBondContact O-N 2.81Å; N465-Q467 WeakPolarHBondContact OD1-CA 3.47Å; N465-Q467 WeakPolarHBondContact OD1-CB 3.16Å; N465-Q467 PolarHBondContact OD1-N 3.18Å; Q467-K469 HydrophobicContact CB-CD 4.4Å; Q467-K469 HydrophobicContact CB-CG 4.35Å; Q467-K469 PolarHBondContact O-N 2.81Å; Q467-K469 VanDerWaalsContact OE1-CE 3.31Å
468E87.7Confident90.9Very high164 Ų16476.1 Ų76.177%0.76638%0.377SS*.SBendtrans61.8-3.8-175.8-55.9-166.8145.400116.7N465N465-E468 WeakPolarHBondContact O-CA 3.22Å; N465-E468 PolarHBondContact O-N 2.67Å
469K89.4Confident90.7Very high52 Ų5276.6 Ų76.623%0.22638%0.383CS..  trans-58.3146.8173.2-66.8175.2179.21630112.5R464 N465 Q467 D491 V492 E515R464-K469 WeakPolarHBondContact CA-O 3.43Å; N465-K469 PolarHBondContact N-O 3.35Å; N465-K469 VanDerWaalsContact N-O 3.09Å; Q467-K469 HydrophobicContact CB-CD 4.4Å; Q467-K469 HydrophobicContact CB-CG 4.35Å; Q467-K469 PolarHBondContact O-N 2.81Å; Q467-K469 VanDerWaalsContact OE1-CE 3.31Å; K469-D491 VanDerWaalsContact CA-OD2 3.3Å; K469-D491 WeakPolarHBondContact CA-OD2 3.45Å; K469-D491 HydrophobicContact CB-CB 3.85Å; K469-D491 HydrophobicContact CD-CB 4.34Å; K469-D491 HydrophobicContact CG-CB 4.07Å; K469-V492 HydrophobicContact CB-CG2 4.02Å; K469-V492 HydrophobicContact CD-CG2 3.69Å; K469-V492 HydrophobicContact CG-CG2 4.48Å; K469-E515 IonicContact NZ-OE2 3.26Å; K469-E515 PolarHBondContact NZ-OE2 2.95Å
470Q93.1Very high90.7Very high42 Ų4271.5 Ų71.520%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-82.6123169.8-73.2-179.3-138.700110.7V462 R464 D489 L490 D491 V492V462-Q470 HydrophobicContact CG1-CB 4.24Å; R464-Q470 HydrophobicContact CG-CG 4.24Å; Q470-D489 WeakPolarHBondContact CB-O 3.45Å; Q470-D489 VanDerWaalsContact NE2-CG 3.35Å; Q470-D489 PolarHBondContact NE2-O 3.3Å; Q470-D489 PolarHBondContact NE2-OD2 3.26Å; Q470-L490 HydrophobicContact CB-CD2 4.39Å; Q470-D491 PolarHBondContact N-OD2 2.85Å; Q470-D491 PolarHBondContact O-N 3.05Å; Q470-V492 PolarHBondContact O-N 2.96Å; Q470-V492 VanDerWaalsContact O-N 3.08Å
471E94.3Very high90.7Very high28 Ų2864.6 Ų64.613%0.13133%0.333CS..EExtended strand (participates in β ladder)trans-126.6139.5-179.570.9170.9-126.200113.8S463 N465 V492 K494S463-E471 PolarHBondContact N-O 2.95Å; S463-E471 PolarHBondContact O-N 3.16Å; S463-E471 WeakPolarHBondContact OG-CG 3.41Å; N465-E471 HydrophobicContact CB-CG 4.18Å; N465-E471 WeakPolarHBondContact CB-OE2 3.47Å; N465-E471 PolarHBondContact ND2-OE2 2.89Å; E471-V492 WeakPolarHBondContact CA-O 3.37Å; E471-V492 HydrophobicContact CB-CB 3.68Å; E471-V492 HydrophobicContact CB-CG1 4.2Å; E471-V492 HydrophobicContact CB-CG2 4.26Å; E471-K494 WeakPolarHBondContact OE1-CE 3.25Å; E471-K494 IonicContact OE1-NZ 3.35Å; E471-K494 PolarHBondContact OE1-NZ 2.76Å; E471-K494 VanDerWaalsContact OE2-CE 3.29Å; E471-K494 WeakPolarHBondContact OE2-CE 3.46Å; E471-K494 IonicContact OE2-NZ 3.03Å; E471-K494 PolarHBondContact OE2-NZ 2.94Å
472L94.9Very high90.6Very high0 Ų061.7 Ų61.70%032%0.321CS..EExtended strand (participates in β ladder)trans-115.4132.6170.8179.966.8000109.6L458 H461 V462 L474 V484 L487 L490 V492 L493 K494L458-L472 HydrophobicContact CD2-CD2 4.47Å; H461-L472 HydrophobicContact CB-CD1 3.95Å; V462-L472 HydrophobicContact CG2-CD1 4.25Å; L472-L474 HydrophobicContact CD1-CD2 4.19Å; L472-L474 HydrophobicContact CD2-CD1 4.37Å; L472-L474 HydrophobicContact CD2-CD2 4.14Å; L472-L474 HydrophobicContact CD2-CG 4.29Å; L472-L474 HydrophobicContact CG-CD2 4.07Å; L472-L474 HydrophobicContact CG-CG 4.23Å; L472-V484 HydrophobicContact CD2-CG1 3.89Å; L472-V484 HydrophobicContact CD2-CG2 4.21Å; L472-L487 HydrophobicContact CD2-CD1 4.12Å; L472-L490 HydrophobicContact CB-CD1 3.75Å; L472-L490 HydrophobicContact CB-CD2 3.82Å; L472-L490 HydrophobicContact CB-CG 4.49Å; L472-L490 HydrophobicContact CD2-CD1 3.97Å; L472-V492 PolarHBondContact N-O 3.38Å; L472-V492 VanDerWaalsContact N-O 3.13Å; L472-L493 HydrophobicContact CB-CD1 4.36Å; L472-L493 HydrophobicContact CD2-CD1 4.2Å; L472-L493 HydrophobicContact CG-CD1 4.48Å; L472-K494 PolarHBondContact O-N 3.28Å
473H94.5Very high90.5Very high86 Ų8660.9 Ų60.940%0.39832%0.318SS..EExtended strand (participates in β ladder)trans-119.1121.3176.4-179.5-155000110.4K494 E496H473-K494 WeakPolarHBondContact CA-O 3.42Å; H473-K494 HydrophobicContact CB-CB 4.24Å; H473-E496 IonicContact CE1-OE2 2.75Å; H473-E496 PolarHBondContact CE1-OE2 3.5Å; H473-E496 IonicContact NE2-OE2 3.76Å; H473-E496 PolarHBondContact NE2-OE2 3.38Å
474L93.8Very high90.5Very high5 Ų558 Ų583%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-113.9128.5178.4-56.8179000109.1L458 L472 L477 V480 V484 K494 L495 E496 I498L458-L474 HydrophobicContact CD2-CD2 4.02Å; L472-L474 HydrophobicContact CD1-CD2 4.19Å; L472-L474 HydrophobicContact CD2-CD1 4.37Å; L472-L474 HydrophobicContact CD2-CD2 4.14Å; L472-L474 HydrophobicContact CD2-CG 4.29Å; L472-L474 HydrophobicContact CG-CD2 4.07Å; L472-L474 HydrophobicContact CG-CG 4.23Å; L474-L477 HydrophobicContact CB-CD1 4.04Å; L474-L477 HydrophobicContact CD1-CD1 4.35Å; L474-L477 HydrophobicContact CD2-CD1 4.23Å; L474-L477 HydrophobicContact CG-CD1 4.44Å; L474-V480 HydrophobicContact CD1-CG1 4.47Å; L474-V484 HydrophobicContact CD1-CG1 4.5Å; L474-V484 HydrophobicContact CD1-CG2 3.69Å; L474-K494 PolarHBondContact N-O 3.43Å; L474-L495 HydrophobicContact CB-CD2 4.19Å; L474-L495 HydrophobicContact CD1-CD2 3.87Å; L474-L495 HydrophobicContact CG-CD2 4.39Å; L474-E496 PolarHBondContact O-N 2.96Å; L474-I498 HydrophobicContact CB-CD1 4.16Å
475F92.9Very high90.4Very high101 Ų10149.5 Ų49.544%0.44327%0.266SS..EExtended strand (participates in β ladder)trans-133.9128.2-167.9-177.7-112.1000110.9L477 E496 L497F475-L477 VanDerWaalsContact C-N 3.29Å; F475-L477 PolarHBondContact O-N 2.82Å; F475-E496 WeakPolarHBondContact CA-O 3.46Å; F475-E496 HydrophobicContact CD2-CB 4.01Å; F475-E496 HydrophobicContact CD2-CG 3.82Å; F475-E496 HydrophobicContact CE2-CG 4.06Å; F475-L497 HydrophobicContact CE2-CD1 3.8Å; F475-L497 HydrophobicContact CZ-CD1 4.16Å
476M89.1Confident90.5Very high125 Ų12551.3 Ų51.362%0.61628%0.276SS*.SBendtrans53.637.3177.2-56.4-169.6-48.900115.1E496 L497M476-E496 PolarHBondContact N-O 3.34Å; M476-L497 HydrophobicContact CG-CB 4.01Å; M476-L497 HydrophobicContact CG-CD1 3.91Å; M476-L497 HydrophobicContact SD-CD1 4.35Å
477L89.8Confident90.8Very high19 Ų1946 Ų4610%0.09923%0.231CC..  trans-86.4152170.2-57.7-173.6000110.7L449 W453 L474 F475 G479 P481 I498 P499L449-L477 HydrophobicContact CD1-CB 4.28Å; L449-L477 HydrophobicContact CD1-CD1 4.46Å; L449-L477 HydrophobicContact CD1-CD2 4.26Å; W453-L477 HydrophobicContact CZ2-CD2 3.87Å; L474-L477 HydrophobicContact CB-CD1 4.04Å; L474-L477 HydrophobicContact CD1-CD1 4.35Å; L474-L477 HydrophobicContact CD2-CD1 4.23Å; L474-L477 HydrophobicContact CG-CD1 4.44Å; F475-L477 VanDerWaalsContact C-N 3.29Å; F475-L477 PolarHBondContact O-N 2.82Å; L477-G479 VanDerWaalsContact CB-O 3.25Å; L477-G479 WeakPolarHBondContact CB-O 3.4Å; L477-G479 PolarHBondContact O-N 3.3Å; L477-P481 HydrophobicContact CD1-CG 3.98Å; L477-I498 HydrophobicContact CB-CD1 4.24Å; L477-I498 HydrophobicContact CB-CG1 4.34Å; L477-P499 WeakPolarHBondContact O-CD 3.47Å
478S85.8Confident90.9Very high58 Ų5843.1 Ų43.141%0.40622%0.223SC..SBendtrans-69.9-20.5177.451.40000114
479G89.5Confident91.1Very high11 Ų1137.5 Ų37.511%0.11320%0.198CC..SBendtrans-161.9-167.2177.700000109.6L449 L477L449-G479 WeakPolarHBondContact CD2-O 3.25Å; L477-G479 VanDerWaalsContact CB-O 3.25Å; L477-G479 WeakPolarHBondContact CB-O 3.4Å; L477-G479 PolarHBondContact O-N 3.3Å
480V90.6Very high91.2Very high17 Ų1735 Ų3510%0.10319%0.187CC..  trans-100.5126.4172.9-173.80000108.9L474 V484 F485 L495 I498 A501L474-V480 HydrophobicContact CD1-CG1 4.47Å; V480-V484 HydrophobicContact CG1-CB 4.48Å; V480-V484 HydrophobicContact CG1-CG2 4.39Å; V480-F485 HydrophobicContact CB-CZ 4.42Å; V480-F485 HydrophobicContact CG1-CE2 4.09Å; V480-F485 HydrophobicContact CG1-CZ 3.67Å; V480-L495 HydrophobicContact CG1-CD2 4.47Å; V480-L495 HydrophobicContact CG2-CD1 3.89Å; V480-L495 HydrophobicContact CG2-CD2 4.22Å; V480-I498 HydrophobicContact CG2-CD1 4.38Å; V480-I498 HydrophobicContact CG2-CG2 4.44Å; V480-A501 HydrophobicContact CG2-CB 4.3Å
481P92.3Very high91.2Very high0 Ų034.8 Ų34.80%019%0.187CC..  trans-68.4138.8176.5-12.424.2000112.2L449 N450 W453 L477 A483 V484L449-P481 HydrophobicContact CD2-CB 4.45Å; L449-P481 HydrophobicContact CD2-CG 3.96Å; L449-P481 HydrophobicContact CG-CB 4.44Å; L449-P481 HydrophobicContact CG-CG 4.01Å; N450-P481 WeakPolarHBondContact OD1-CA 3.28Å; W453-P481 HydrophobicContact CB-CB 3.79Å; W453-P481 HydrophobicContact CB-CG 3.71Å; W453-P481 HydrophobicContact CG-CG 3.95Å; L477-P481 HydrophobicContact CD1-CG 3.98Å; P481-A483 VanDerWaalsContact C-N 3.29Å; P481-A483 PolarHBondContact O-N 3.37Å; P481-V484 HydrophobicContact CB-CG2 4.2Å; P481-V484 HydrophobicContact CG-CG2 4.21Å; P481-V484 VanDerWaalsContact O-CB 3.28Å; P481-V484 WeakPolarHBondContact O-CB 3.48Å; P481-V484 VanDerWaalsContact O-CG2 3.22Å; P481-V484 WeakPolarHBondContact O-CG2 3.33Å; P481-V484 PolarHBondContact O-N 2.75Å
482D88.8Confident91.3Very high43 Ų4333.4 Ų33.423%0.2318%0.181CC..G310 helixtrans-58.2-39.1179.6-86.3-62.9000113.1N450 V484 F485 K506N450-D482 PolarHBondContact ND2-OD2 3.11Å; N450-D482 PolarHBondContact OD1-N 3.42Å; D482-V484 PolarHBondContact O-N 3.44Å; D482-F485 VanDerWaalsContact O-CD2 3.28Å; D482-F485 WeakPolarHBondContact O-CD2 3.28Å; D482-F485 PolarHBondContact O-N 3.06Å; D482-K506 IonicContact OD1-NZ 3.99Å
483A89.9Confident91.3Very high15 Ų1533.5 Ų33.512%0.12418%0.181CC..G310 helixtrans-65.3-4.1-178.200000114.2L458 P481L458-A483 VanDerWaalsContact CD1-C 3.48Å; L458-A483 HydrophobicContact CD1-CB 3.75Å; P481-A483 VanDerWaalsContact C-N 3.29Å; P481-A483 PolarHBondContact O-N 3.37Å
484V91.9Very high91.3Very high0 Ų031.3 Ų31.30%017%0.171CC..G310 helixtrans-69.8-35.4167.8175.90000111.1L458 L472 L474 V480 P481 D482 D486 L487 L493L458-V484 HydrophobicContact CD1-CG2 3.8Å; L458-V484 HydrophobicContact CD2-CG2 4.01Å; L472-V484 HydrophobicContact CD2-CG1 3.89Å; L472-V484 HydrophobicContact CD2-CG2 4.21Å; L474-V484 HydrophobicContact CD1-CG1 4.5Å; L474-V484 HydrophobicContact CD1-CG2 3.69Å; V480-V484 HydrophobicContact CG1-CB 4.48Å; V480-V484 HydrophobicContact CG1-CG2 4.39Å; P481-V484 HydrophobicContact CB-CG2 4.2Å; P481-V484 HydrophobicContact CG-CG2 4.21Å; P481-V484 VanDerWaalsContact O-CB 3.28Å; P481-V484 WeakPolarHBondContact O-CB 3.48Å; P481-V484 VanDerWaalsContact O-CG2 3.22Å; P481-V484 WeakPolarHBondContact O-CG2 3.33Å; P481-V484 PolarHBondContact O-N 2.75Å; D482-V484 PolarHBondContact O-N 3.44Å; V484-D486 VanDerWaalsContact C-N 3.29Å; V484-D486 PolarHBondContact O-N 2.72Å; V484-L487 WeakPolarHBondContact O-CB 3.44Å; V484-L487 PolarHBondContact O-N 3.05Å; V484-L493 HydrophobicContact CG1-CD1 3.86Å; V484-L493 HydrophobicContact CG1-CD2 4.31Å
485F91.1Very high91.4Very high1 Ų131.1 Ų31.10%0.00417%0.17CC..THydrogen-bonded Turntrans-78.6-16-175.2-53.7-64.8000113V480 D482 L487 I503 P504 K506 I507 M510V480-F485 HydrophobicContact CB-CZ 4.42Å; V480-F485 HydrophobicContact CG1-CE2 4.09Å; V480-F485 HydrophobicContact CG1-CZ 3.67Å; D482-F485 VanDerWaalsContact O-CD2 3.28Å; D482-F485 WeakPolarHBondContact O-CD2 3.28Å; D482-F485 PolarHBondContact O-N 3.06Å; F485-L487 VanDerWaalsContact C-N 3.27Å; F485-I503 HydrophobicContact CE1-CG2 4.26Å; F485-P504 HydrophobicContact CD2-CG 3.93Å; F485-P504 VanDerWaalsContact CE2-CD 3.43Å; F485-P504 HydrophobicContact CE2-CG 3.65Å; F485-P504 HydrophobicContact CZ-CG 4.28Å; F485-K506 HydrophobicContact CB-CB 3.77Å; F485-K506 HydrophobicContact CD2-CB 4.29Å; F485-K506 HydrophobicContact CG-CB 4.21Å; F485-I507 HydrophobicContact CD1-CB 3.75Å; F485-I507 HydrophobicContact CD1-CD1 4.47Å; F485-I507 HydrophobicContact CD1-CG1 4Å; F485-I507 HydrophobicContact CE1-CB 4.08Å; F485-I507 HydrophobicContact CE1-CD1 4.22Å; F485-I507 HydrophobicContact CE1-CG1 4.23Å; F485-M510 HydrophobicContact CB-SD 4.48Å; F485-M510 HydrophobicContact CD1-SD 3.78Å; F485-M510 WeakPolarHBondContact O-CG 3.49Å
486D90.4Very high91.5Very high71 Ų7128 Ų2838%0.3816%0.157SC..THydrogen-bonded Turntrans-73.9-15.8171.2-57.8-30.7000112.6F455 V484 T488F455-D486 HydrophobicContact CD2-CB 3.96Å; F455-D486 HydrophobicContact CE2-CB 4.19Å; V484-D486 VanDerWaalsContact C-N 3.29Å; V484-D486 PolarHBondContact O-N 2.72Å; D486-T488 VanDerWaalsContact C-N 3.31Å; D486-T488 PolarHBondContact O-N 2.85Å
487L90.3Very high91.7Very high0 Ų025.9 Ų25.90%015%0.147CC..  trans-80.275179.4-68.8167000111.4F455 L458 V462 L472 V484 F485 D489 L490F455-L487 HydrophobicContact CD2-CD2 4Å; F455-L487 HydrophobicContact CD2-CG 4.29Å; F455-L487 HydrophobicContact CE2-CD2 3.48Å; F455-L487 VanDerWaalsContact CE2-CD2 3.48Å; F455-L487 HydrophobicContact CE2-CG 4.03Å; F455-L487 HydrophobicContact CZ-CD2 3.84Å; L458-L487 HydrophobicContact CB-CD1 3.98Å; V462-L487 HydrophobicContact CG2-CD1 4.31Å; L472-L487 HydrophobicContact CD2-CD1 4.12Å; V484-L487 WeakPolarHBondContact O-CB 3.44Å; V484-L487 PolarHBondContact O-N 3.05Å; F485-L487 VanDerWaalsContact C-N 3.27Å; L487-D489 PolarHBondContact O-N 3.12Å; L487-D489 VanDerWaalsContact O-N 3.15Å; L487-L490 HydrophobicContact CB-CD1 3.71Å; L487-L490 HydrophobicContact CB-CG 4.06Å; L487-L490 HydrophobicContact CD1-CD1 3.97Å; L487-L490 HydrophobicContact CG-CD1 4.5Å; L487-L490 PolarHBondContact O-N 3.38Å
488T89.6Confident91.7Very high67 Ų6725 Ų2541%0.41114%0.142SC..THydrogen-bonded Turntrans-63.1-15.2-17859.10000115.1D486 Q509 N512D486-T488 VanDerWaalsContact C-N 3.31Å; D486-T488 PolarHBondContact O-N 2.85Å; T488-Q509 HydrophobicContact CG2-CB 4.5Å; T488-Q509 WeakPolarHBondContact CG2-O 3.33Å; T488-N512 PolarHBondContact O-ND2 3.05Å
489D91.1Very high91.6Very high46 Ų4625.9 Ų25.925%0.24615%0.147CC..THydrogen-bonded Turntrans-91.77.9179.963.4-31.3000114.7R459 Q470 L487R459-D489 IonicContact NH2-OD2 2.67Å; Q470-D489 WeakPolarHBondContact CB-O 3.45Å; Q470-D489 VanDerWaalsContact NE2-CG 3.35Å; Q470-D489 PolarHBondContact NE2-O 3.3Å; Q470-D489 PolarHBondContact NE2-OD2 3.26Å; L487-D489 PolarHBondContact O-N 3.12Å; L487-D489 VanDerWaalsContact O-N 3.15Å
490L92.3Very high91.3Very high0 Ų029.4 Ų29.40%016%0.16CC..  trans-84.2126.3175.7-76.1173.9000113.6V462 Q470 L472 L487 M510 N512 L513V462-L490 HydrophobicContact CG1-CD2 3.83Å; V462-L490 HydrophobicContact CG2-CD2 4.09Å; Q470-L490 HydrophobicContact CB-CD2 4.39Å; L472-L490 HydrophobicContact CB-CD1 3.75Å; L472-L490 HydrophobicContact CB-CD2 3.82Å; L472-L490 HydrophobicContact CB-CG 4.49Å; L472-L490 HydrophobicContact CD2-CD1 3.97Å; L487-L490 HydrophobicContact CB-CD1 3.71Å; L487-L490 HydrophobicContact CB-CG 4.06Å; L487-L490 HydrophobicContact CD1-CD1 3.97Å; L487-L490 HydrophobicContact CG-CD1 4.5Å; L487-L490 PolarHBondContact O-N 3.38Å; L490-M510 HydrophobicContact CB-CE 3.79Å; L490-M510 HydrophobicContact CD1-CE 3.77Å; L490-M510 HydrophobicContact CG-CE 4.38Å; L490-N512 CarbonylContact O-C 3.5Å; L490-L513 WeakPolarHBondContact O-CA 3.42Å; L490-L513 PolarHBondContact O-N 2.96Å
491D93.3Very high91.1Very high37 Ų3728.6 Ų28.620%0.19816%0.156CC..SBendtrans-85.2-34.9169-64.5-73000112.3K469 Q470 Q514 E515K469-D491 VanDerWaalsContact CA-OD2 3.3Å; K469-D491 WeakPolarHBondContact CA-OD2 3.45Å; K469-D491 HydrophobicContact CB-CB 3.85Å; K469-D491 HydrophobicContact CD-CB 4.34Å; K469-D491 HydrophobicContact CG-CB 4.07Å; Q470-D491 PolarHBondContact N-OD2 2.85Å; Q470-D491 PolarHBondContact O-N 3.05Å; D491-Q514 PolarHBondContact O-N 3.47Å; D491-E515 PolarHBondContact O-N 2.88Å
492V95.1Very high90.9Very high0 Ų032.8 Ų32.80%017%0.174CC..EExtended strand (participates in β ladder)trans-131.4127.5-169.7-1690000111.2K469 Q470 E471 L472 K494 E515K469-V492 HydrophobicContact CB-CG2 4.02Å; K469-V492 HydrophobicContact CD-CG2 3.69Å; K469-V492 HydrophobicContact CG-CG2 4.48Å; Q470-V492 PolarHBondContact O-N 2.96Å; Q470-V492 VanDerWaalsContact O-N 3.08Å; E471-V492 WeakPolarHBondContact CA-O 3.37Å; E471-V492 HydrophobicContact CB-CB 3.68Å; E471-V492 HydrophobicContact CB-CG1 4.2Å; E471-V492 HydrophobicContact CB-CG2 4.26Å; L472-V492 PolarHBondContact N-O 3.38Å; L472-V492 VanDerWaalsContact N-O 3.13Å; V492-K494 HydrophobicContact CG1-CG 4.12Å; V492-E515 WeakPolarHBondContact CA-O 3.47Å; V492-E515 HydrophobicContact CB-CB 4.35Å; V492-E515 HydrophobicContact CG1-CB 4.09Å; V492-E515 HydrophobicContact CG1-CG 3.93Å; V492-E515 HydrophobicContact CG2-CB 4.06Å; V492-E515 HydrophobicContact CG2-CG 4.44Å
493L94.9Very high91Very high1 Ų130.8 Ų30.81%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-115.7128.2171.1-179.161000110.5L472 V484 L495 L513 E515 L516 H517L472-L493 HydrophobicContact CB-CD1 4.36Å; L472-L493 HydrophobicContact CD2-CD1 4.2Å; L472-L493 HydrophobicContact CG-CD1 4.48Å; V484-L493 HydrophobicContact CG1-CD1 3.86Å; V484-L493 HydrophobicContact CG1-CD2 4.31Å; L493-L495 HydrophobicContact CD1-CD2 3.97Å; L493-L495 HydrophobicContact CD2-CD2 4.22Å; L493-L495 HydrophobicContact CD2-CG 4.43Å; L493-L495 HydrophobicContact CG-CD2 3.98Å; L493-L495 HydrophobicContact CG-CG 4.21Å; L493-L513 HydrophobicContact CB-CD1 3.89Å; L493-E515 PolarHBondContact N-O 3.29Å; L493-L516 HydrophobicContact CB-CD1 4.07Å; L493-L516 HydrophobicContact CD2-CD1 4.16Å; L493-L516 HydrophobicContact CG-CD1 4.18Å; L493-L516 CarbonylContact O-C 3.13Å; L493-L516 WeakPolarHBondContact O-CA 3.4Å; L493-H517 PolarHBondContact O-N 3.22Å
494K95.2Very high91.1Very high41 Ų4131.1 Ų31.118%0.17816%0.164CC..EExtended strand (participates in β ladder)trans-119.2118.6177.3-49.7-175.6-179.2166.90110.8E471 L472 H473 L474 V492 H517E471-K494 WeakPolarHBondContact OE1-CE 3.25Å; E471-K494 IonicContact OE1-NZ 3.35Å; E471-K494 PolarHBondContact OE1-NZ 2.76Å; E471-K494 VanDerWaalsContact OE2-CE 3.29Å; E471-K494 WeakPolarHBondContact OE2-CE 3.46Å; E471-K494 IonicContact OE2-NZ 3.03Å; E471-K494 PolarHBondContact OE2-NZ 2.94Å; L472-K494 PolarHBondContact O-N 3.28Å; H473-K494 WeakPolarHBondContact CA-O 3.42Å; H473-K494 HydrophobicContact CB-CB 4.24Å; L474-K494 PolarHBondContact N-O 3.43Å; V492-K494 HydrophobicContact CG1-CG 4.12Å; K494-H517 HydrophobicContact CB-CB 4.01Å; K494-H517 HydrophobicContact CG-CB 3.89Å
495L95.1Very high91Very high1 Ų132.4 Ų32.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-114.4120.8180-55.6-177.7000108.9L474 V480 L493 I498 H517 L518 C519 C521L474-L495 HydrophobicContact CB-CD2 4.19Å; L474-L495 HydrophobicContact CD1-CD2 3.87Å; L474-L495 HydrophobicContact CG-CD2 4.39Å; V480-L495 HydrophobicContact CG1-CD2 4.47Å; V480-L495 HydrophobicContact CG2-CD1 3.89Å; V480-L495 HydrophobicContact CG2-CD2 4.22Å; L493-L495 HydrophobicContact CD1-CD2 3.97Å; L493-L495 HydrophobicContact CD2-CD2 4.22Å; L493-L495 HydrophobicContact CD2-CG 4.43Å; L493-L495 HydrophobicContact CG-CD2 3.98Å; L493-L495 HydrophobicContact CG-CG 4.21Å; L495-I498 HydrophobicContact CB-CD1 4.1Å; L495-I498 HydrophobicContact CD2-CD1 4.04Å; L495-H517 PolarHBondContact N-O 2.87Å; L495-L518 HydrophobicContact CB-CD2 4.35Å; L495-L518 HydrophobicContact CD1-CD2 4Å; L495-C519 PolarHBondContact O-N 3.31Å; L495-C521 VanDerWaalsContact C-SG 3.5Å; L495-C521 PolarHBondContact O-SG 2.66Å
496E95.1Very high90.9Very high36 Ų3635.1 Ų35.117%0.16819%0.186CC..EExtended strand (participates in β ladder)trans-135.4128.1-175.4-172.8159-129.600112.8H473 L474 F475 M476 I498 C519 K543H473-E496 IonicContact CE1-OE2 2.75Å; H473-E496 PolarHBondContact CE1-OE2 3.5Å; H473-E496 IonicContact NE2-OE2 3.76Å; H473-E496 PolarHBondContact NE2-OE2 3.38Å; L474-E496 PolarHBondContact O-N 2.96Å; F475-E496 WeakPolarHBondContact CA-O 3.46Å; F475-E496 HydrophobicContact CD2-CB 4.01Å; F475-E496 HydrophobicContact CD2-CG 3.82Å; F475-E496 HydrophobicContact CE2-CG 4.06Å; M476-E496 PolarHBondContact N-O 3.34Å; E496-I498 PolarHBondContact O-N 3.11Å; E496-C519 WeakPolarHBondContact CA-O 3.37Å; E496-C519 HydrophobicContact CB-CB 3.82Å; E496-C519 HydrophobicContact CG-CB 3.6Å; E496-K543 IonicContact OE1-NZ 3.05Å; E496-K543 PolarHBondContact OE1-NZ 3.17Å
497L92.8Very high90.9Very high80 Ų8031.8 Ų31.842%0.41917%0.168SC..SBendtrans55.244.9-175.8-61.4169.3000113.6F475 M476 C519 H520F475-L497 HydrophobicContact CE2-CD1 3.8Å; F475-L497 HydrophobicContact CZ-CD1 4.16Å; M476-L497 HydrophobicContact CG-CB 4.01Å; M476-L497 HydrophobicContact CG-CD1 3.91Å; M476-L497 HydrophobicContact SD-CD1 4.35Å; L497-C519 PolarHBondContact N-O 2.91Å; L497-H520 HydrophobicContact CD2-CB 3.93Å
498I90.8Very high90.8Very high0 Ų034.6 Ų34.60%019%0.188CC..  trans-107.6106.2175.7-55.4-175.6000108.7L474 L477 V480 L495 E496 A501 C521L474-I498 HydrophobicContact CB-CD1 4.16Å; L477-I498 HydrophobicContact CB-CD1 4.24Å; L477-I498 HydrophobicContact CB-CG1 4.34Å; V480-I498 HydrophobicContact CG2-CD1 4.38Å; V480-I498 HydrophobicContact CG2-CG2 4.44Å; L495-I498 HydrophobicContact CB-CD1 4.1Å; L495-I498 HydrophobicContact CD2-CD1 4.04Å; E496-I498 PolarHBondContact O-N 3.11Å; I498-A501 HydrophobicContact CB-CB 4.28Å; I498-A501 HydrophobicContact CG2-CB 3.88Å; I498-C521 PolarHBondContact N-SG 3.33Å
499P83.7Confident90.8Very high77 Ų7735.9 Ų35.950%0.519%0.19SC..THydrogen-bonded Turntrans-73.6-41.5-170.427.8-33.6000113L477 P522L477-P499 WeakPolarHBondContact O-CD 3.47Å; P499-P522 VanDerWaalsContact O-CG 3.31Å; P499-P522 WeakPolarHBondContact O-CG 3.31Å
500E82.3Confident90.7Very high85 Ų8533.7 Ų33.740%0.39718%0.178SC..THydrogen-bonded Turntrans-107.860.2177.5-78.1-63.7149.800110.5K502 K524E500-K502 PolarHBondContact O-N 2.81Å; E500-K524 IonicContact OE1-NZ 2.97Å; E500-K524 PolarHBondContact OE1-NZ 2.87Å; E500-K524 IonicContact OE2-NZ 2.66Å; E500-K524 PolarHBondContact OE2-NZ 3.1Å
501A87.1Confident90.6Very high0 Ų038 Ų380%020%0.204CC..  trans-73.790.8176.200000111.1V480 I498 C521 A523 K524V480-A501 HydrophobicContact CG2-CB 4.3Å; I498-A501 HydrophobicContact CB-CB 4.28Å; I498-A501 HydrophobicContact CG2-CB 3.88Å; A501-C521 HydrophobicContact CB-CB 4.44Å; A501-A523 HydrophobicContact CB-CB 4.3Å; A501-A523 CarbonylContact O-C 3.53Å; A501-A523 VanDerWaalsContact O-CA 3.29Å; A501-A523 WeakPolarHBondContact O-CA 3.45Å; A501-K524 PolarHBondContact O-N 2.93Å
502K88.8Confident90.4Very high87 Ų8739.9 Ų39.938%0.37821%0.214SC..EExtended strand (participates in β ladder)trans-80.9143.5164.6-64.3178.5-175.2167.50110.6E446 E500 K524E446-K502 IonicContact OE1-NZ 2.76Å; E446-K502 PolarHBondContact OE1-NZ 3.36Å; E446-K502 VanDerWaalsContact OE1-NZ 3.1Å; E446-K502 IonicContact OE2-NZ 3.75Å; E446-K502 PolarHBondContact OE2-NZ 2.93Å; E500-K502 PolarHBondContact O-N 2.81Å; K502-K524 CarbonylContact C-O 3.41Å; K502-K524 WeakPolarHBondContact CA-O 3.43Å
503I91Very high90.2Very high2 Ų240 Ų401%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-121.3102.5166.5-53.8-175.7000108.5F485 I507 L516 A523 K524 V525 E526 A529F485-I503 HydrophobicContact CE1-CG2 4.26Å; I503-I507 HydrophobicContact CG2-CB 3.96Å; I503-I507 HydrophobicContact CG2-CD1 3.48Å; I503-I507 VanDerWaalsContact CG2-CD1 3.48Å; I503-I507 HydrophobicContact CG2-CG1 4.31Å; I503-I507 HydrophobicContact CG2-CG2 3.86Å; I503-L516 HydrophobicContact CD1-CD2 4.41Å; I503-A523 HydrophobicContact CD1-CB 4.47Å; I503-K524 PolarHBondContact N-O 3.08Å; I503-V525 HydrophobicContact CB-CG1 4.31Å; I503-V525 HydrophobicContact CB-CG2 4.03Å; I503-V525 HydrophobicContact CD1-CG2 4.01Å; I503-V525 HydrophobicContact CG1-CG2 4.19Å; I503-E526 PolarHBondContact O-N 3.16Å; I503-A529 HydrophobicContact CG2-CB 4.27Å; I503-A529 WeakPolarHBondContact O-CB 3.22Å
504P91.4Very high90.1Very high21 Ų2142.6 Ų42.614%0.13623%0.227CC..  trans-84170-176.335-36.1000112.9F485 K506 I507 E526F485-P504 HydrophobicContact CD2-CG 3.93Å; F485-P504 VanDerWaalsContact CE2-CD 3.43Å; F485-P504 HydrophobicContact CE2-CG 3.65Å; F485-P504 HydrophobicContact CZ-CG 4.28Å; P504-K506 HydrophobicContact CG-CB 4.44Å; P504-K506 PolarHBondContact O-N 3.23Å; P504-I507 WeakPolarHBondContact O-CG2 3.3Å; P504-I507 PolarHBondContact O-N 3.22Å; P504-I507 VanDerWaalsContact O-N 3.15Å; P504-E526 WeakPolarHBondContact CA-OE1 3.18Å; P504-E526 VanDerWaalsContact CB-OE1 3.3Å; P504-E526 WeakPolarHBondContact CB-OE1 3.37Å
505A89.3Confident90.1Very high27 Ų2741.4 Ų41.422%0.22322%0.222CC..G310 helixtrans-47.9-28.7177.300000114.8I507 S508 E526 T528A505-I507 PolarHBondContact O-N 2.64Å; A505-I507 VanDerWaalsContact O-N 3.14Å; A505-S508 WeakPolarHBondContact O-CB 3.44Å; A505-S508 PolarHBondContact O-N 3.14Å; A505-S508 PolarHBondContact O-OG 3.28Å; A505-E526 VanDerWaalsContact CB-OE2 3.3Å; A505-E526 WeakPolarHBondContact CB-OE2 3.45Å; A505-E526 PolarHBondContact N-OE2 3.28Å; A505-T528 WeakPolarHBondContact CB-OG1 3.32Å
506K88.9Confident90.1Very high59 Ų5941.3 Ų41.326%0.25722%0.222SC..G310 helixtrans-55.9-27.2-179.4-65.5179.9179.2173.60113.3E267 D482 F485 P504 S508 Q509E267-K506 WeakPolarHBondContact OE1-CE 3.25Å; E267-K506 IonicContact OE1-NZ 3.99Å; E267-K506 PolarHBondContact OE1-NZ 2.74Å; D482-K506 IonicContact OD1-NZ 3.99Å; F485-K506 HydrophobicContact CB-CB 3.77Å; F485-K506 HydrophobicContact CD2-CB 4.29Å; F485-K506 HydrophobicContact CG-CB 4.21Å; P504-K506 HydrophobicContact CG-CB 4.44Å; P504-K506 PolarHBondContact O-N 3.23Å; K506-S508 PolarHBondContact O-N 3.36Å; K506-Q509 WeakPolarHBondContact O-CB 3.42Å; K506-Q509 WeakPolarHBondContact O-CG 3.33Å; K506-Q509 PolarHBondContact O-N 3.33Å
507I91.3Very high90.1Very high0 Ų040.7 Ų40.70%022%0.218CC..G310 helixtrans-56.3-23.4174.7-163.5166.3000113.9F485 I503 P504 A505 Q509 M510 L513 A529 F532 L533F485-I507 HydrophobicContact CD1-CB 3.75Å; F485-I507 HydrophobicContact CD1-CD1 4.47Å; F485-I507 HydrophobicContact CD1-CG1 4Å; F485-I507 HydrophobicContact CE1-CB 4.08Å; F485-I507 HydrophobicContact CE1-CD1 4.22Å; F485-I507 HydrophobicContact CE1-CG1 4.23Å; I503-I507 HydrophobicContact CG2-CB 3.96Å; I503-I507 HydrophobicContact CG2-CD1 3.48Å; I503-I507 VanDerWaalsContact CG2-CD1 3.48Å; I503-I507 HydrophobicContact CG2-CG1 4.31Å; I503-I507 HydrophobicContact CG2-CG2 3.86Å; P504-I507 WeakPolarHBondContact O-CG2 3.3Å; P504-I507 PolarHBondContact O-N 3.22Å; P504-I507 VanDerWaalsContact O-N 3.15Å; A505-I507 PolarHBondContact O-N 2.64Å; A505-I507 VanDerWaalsContact O-N 3.14Å; I507-Q509 PolarHBondContact O-N 3.04Å; I507-M510 HydrophobicContact CG1-CG 4.5Å; I507-M510 HydrophobicContact CG1-SD 3.98Å; I507-M510 WeakPolarHBondContact O-CB 3.33Å; I507-M510 PolarHBondContact O-N 3.12Å; I507-L513 HydrophobicContact CD1-CD2 3.78Å; I507-L513 HydrophobicContact CG1-CD2 4.07Å; I507-A529 HydrophobicContact CG2-CB 3.57Å; I507-F532 HydrophobicContact CG1-CD1 4.44Å; I507-F532 HydrophobicContact CG1-CE1 4.42Å; I507-F532 HydrophobicContact CG2-CD1 4.27Å; I507-F532 WeakPolarHBondContact O-CE1 3.39Å; I507-L533 HydrophobicContact CD1-CD1 4.37Å; I507-L533 HydrophobicContact CD1-CD2 3.94Å; I507-L533 HydrophobicContact CD1-CG 4.31Å
508S88.4Confident90.2Very high60 Ų6036.9 Ų36.942%0.4220%0.199SC..G310 helixtrans-62.2-12.3176.559.90000114.6A505 K506A505-S508 WeakPolarHBondContact O-CB 3.44Å; A505-S508 PolarHBondContact O-N 3.14Å; A505-S508 PolarHBondContact O-OG 3.28Å; K506-S508 PolarHBondContact O-N 3.36Å
509Q89.9Confident90.3Very high94 Ų9437.1 Ų37.144%0.43920%0.2SC..G310 helixtrans-78.9-23.2172.3-57.8-176.438.900112.9T488 K506 I507 T511T488-Q509 HydrophobicContact CG2-CB 4.5Å; T488-Q509 WeakPolarHBondContact CG2-O 3.33Å; K506-Q509 WeakPolarHBondContact O-CB 3.42Å; K506-Q509 WeakPolarHBondContact O-CG 3.33Å; K506-Q509 PolarHBondContact O-N 3.33Å; I507-Q509 PolarHBondContact O-N 3.04Å; Q509-T511 VanDerWaalsContact C-N 3.26Å; Q509-T511 PolarHBondContact O-N 2.94Å
510M89.1Confident90.6Very high0 Ų036.2 Ų36.20%019%0.189CC..  trans-80.361.1-174.1-57-176.879.700112.5F485 L490 I507 N512 L513 F532F485-M510 HydrophobicContact CB-SD 4.48Å; F485-M510 HydrophobicContact CD1-SD 3.78Å; F485-M510 WeakPolarHBondContact O-CG 3.49Å; L490-M510 HydrophobicContact CB-CE 3.79Å; L490-M510 HydrophobicContact CD1-CE 3.77Å; L490-M510 HydrophobicContact CG-CE 4.38Å; I507-M510 HydrophobicContact CG1-CG 4.5Å; I507-M510 HydrophobicContact CG1-SD 3.98Å; I507-M510 WeakPolarHBondContact O-CB 3.33Å; I507-M510 PolarHBondContact O-N 3.12Å; M510-N512 PolarHBondContact O-N 2.89Å; M510-L513 HydrophobicContact CB-CB 4.04Å; M510-L513 VanDerWaalsContact O-CB 3.27Å; M510-L513 WeakPolarHBondContact O-CB 3.42Å; M510-L513 PolarHBondContact O-N 3.37Å; M510-L513 HydrophobicContact SD-CD2 4.31Å; M510-F532 WeakPolarHBondContact O-CZ 3.42Å
511T88.3Confident90.9Very high91 Ų9132.4 Ų32.456%0.55817%0.172SC*.THydrogen-bonded Turntrans-57.2-23.5-169.955.10000115.6Q509Q509-T511 VanDerWaalsContact C-N 3.26Å; Q509-T511 PolarHBondContact O-N 2.94Å
512N89.4Confident90.8Very high75 Ų7534.7 Ų34.740%0.40119%0.186SC..THydrogen-bonded Turntrans-84.5-15.4178.5-64.4-51.4000114.2T488 L490 M510 Q514T488-N512 PolarHBondContact O-ND2 3.05Å; L490-N512 CarbonylContact O-C 3.5Å; M510-N512 PolarHBondContact O-N 2.89Å; N512-Q514 WeakPolarHBondContact O-CG 3.41Å; N512-Q514 PolarHBondContact O-N 3.41Å; N512-Q514 VanDerWaalsContact O-N 3.12Å; N512-Q514 PolarHBondContact O-NE2 3.24Å; N512-Q514 VanDerWaalsContact O-NE2 3.15Å
513L92.3Very high90.8Very high2 Ų230.7 Ų30.71%0.0117%0.17CC..  trans-64111.8-172.3-175.271.6000111.4L490 L493 I507 M510 L533L490-L513 WeakPolarHBondContact O-CA 3.42Å; L490-L513 PolarHBondContact O-N 2.96Å; L493-L513 HydrophobicContact CB-CD1 3.89Å; I507-L513 HydrophobicContact CD1-CD2 3.78Å; I507-L513 HydrophobicContact CG1-CD2 4.07Å; M510-L513 HydrophobicContact CB-CB 4.04Å; M510-L513 VanDerWaalsContact O-CB 3.27Å; M510-L513 WeakPolarHBondContact O-CB 3.42Å; M510-L513 PolarHBondContact O-N 3.37Å; M510-L513 HydrophobicContact SD-CD2 4.31Å; L513-L533 HydrophobicContact CD2-CD2 4.46Å
514Q91.6Very high90.7Very high56 Ų5635.8 Ų35.826%0.26219%0.192SC..  trans-117.6-16.3-177.1-76.5165.283.100113.2D491 N512 R538 C539D491-Q514 PolarHBondContact O-N 3.47Å; N512-Q514 WeakPolarHBondContact O-CG 3.41Å; N512-Q514 PolarHBondContact O-N 3.41Å; N512-Q514 VanDerWaalsContact O-N 3.12Å; N512-Q514 PolarHBondContact O-NE2 3.24Å; N512-Q514 VanDerWaalsContact O-NE2 3.15Å; Q514-R538 HydrophobicContact CG-CG 4.42Å; Q514-R538 PolarHBondContact O-N 3.35Å; Q514-R538 VanDerWaalsContact OE1-CZ 3.29Å; Q514-C539 PolarHBondContact O-N 2.79Å
515E94.9Very high90.7Very high16 Ų1635.7 Ų35.78%0.07519%0.191CC..EExtended strand (participates in β ladder)trans-138.1129.3-170.7-172.6175.8145.200111.6K469 D491 V492 L493 H517 C539 H541K469-E515 IonicContact NZ-OE2 3.26Å; K469-E515 PolarHBondContact NZ-OE2 2.95Å; D491-E515 PolarHBondContact O-N 2.88Å; V492-E515 WeakPolarHBondContact CA-O 3.47Å; V492-E515 HydrophobicContact CB-CB 4.35Å; V492-E515 HydrophobicContact CG1-CB 4.09Å; V492-E515 HydrophobicContact CG1-CG 3.93Å; V492-E515 HydrophobicContact CG2-CB 4.06Å; V492-E515 HydrophobicContact CG2-CG 4.44Å; L493-E515 PolarHBondContact N-O 3.29Å; E515-H517 IonicContact OE1-CD2 2.66Å; E515-H517 IonicContact OE1-CE1 2.86Å; E515-H517 IonicContact OE1-NE2 2.64Å; E515-H517 PolarHBondContact OE1-NE2 3.22Å; E515-C539 WeakPolarHBondContact CA-O 3.27Å; E515-C539 HydrophobicContact CB-CB 4.25Å; E515-C539 HydrophobicContact CG-CB 3.91Å; E515-H541 IonicContact OE1-NE2 3.89Å
516L95.2Very high90.6Very high0 Ų037.2 Ų37.20%019%0.193CC..EExtended strand (participates in β ladder)trans-129131.2-178.9178.965.1000109.3L493 I503 L518 L537 C539 L540 H541 W553L493-L516 HydrophobicContact CB-CD1 4.07Å; L493-L516 HydrophobicContact CD2-CD1 4.16Å; L493-L516 HydrophobicContact CG-CD1 4.18Å; L493-L516 CarbonylContact O-C 3.13Å; L493-L516 WeakPolarHBondContact O-CA 3.4Å; I503-L516 HydrophobicContact CD1-CD2 4.41Å; L516-L518 HydrophobicContact CD1-CD2 4.14Å; L516-L518 HydrophobicContact CD2-CD1 4.45Å; L516-L518 HydrophobicContact CD2-CD2 4.17Å; L516-L518 HydrophobicContact CD2-CG 4.3Å; L516-L518 HydrophobicContact CG-CD2 4.06Å; L516-L518 HydrophobicContact CG-CG 4.19Å; L516-L537 HydrophobicContact CB-CD1 3.81Å; L516-L537 HydrophobicContact CB-CD2 4.11Å; L516-C539 PolarHBondContact N-O 3Å; L516-L540 HydrophobicContact CB-CD1 3.91Å; L516-L540 HydrophobicContact CD2-CD1 3.97Å; L516-L540 HydrophobicContact CG-CD1 4.02Å; L516-L540 WeakPolarHBondContact O-CA 3.36Å; L516-H541 PolarHBondContact O-N 2.89Å; L516-W553 HydrophobicContact CD2-CH2 4.17Å
517H95.1Very high90.6Very high22 Ų2238.7 Ų38.710%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-114.6119173.8-62.6-140.2000108.8L493 K494 L495 E515 H541L493-H517 PolarHBondContact O-N 3.22Å; K494-H517 HydrophobicContact CB-CB 4.01Å; K494-H517 HydrophobicContact CG-CB 3.89Å; L495-H517 PolarHBondContact N-O 2.87Å; E515-H517 IonicContact OE1-CD2 2.66Å; E515-H517 IonicContact OE1-CE1 2.86Å; E515-H517 IonicContact OE1-NE2 2.64Å; E515-H517 PolarHBondContact OE1-NE2 3.22Å; H517-H541 CarbonylContact C-O 3.2Å; H517-H541 WeakPolarHBondContact CA-O 3.21Å; H517-H541 HydrophobicContact CB-CB 4.11Å; H517-H541 AromaticContact CD2-CD2 3.63Å; H517-H541 AromaticContact CE1-CD2 3.44Å; H517-H541 PolarHBondContact CE1-CD2 2.97Å; H517-H541 VanDerWaalsContact CE1-CD2 3.44Å; H517-H541 AromaticContact CE1-CE1 3.94Å; H517-H541 AromaticContact CE1-CG 3.6Å; H517-H541 AromaticContact CE1-ND1 3.89Å; H517-H541 AromaticContact CE1-NE2 3.68Å; H517-H541 AromaticContact CG-CG 3.96Å; H517-H541 AromaticContact ND1-CD2 3.93Å; H517-H541 AromaticContact ND1-CG 3.71Å; H517-H541 AromaticContact NE2-CD2 3.24Å; H517-H541 PolarHBondContact NE2-CD2 3.46Å; H517-H541 AromaticContact NE2-CG 3.82Å; H517-H541 AromaticContact NE2-NE2 3.62Å
518L94.4Very high90.5Very high1 Ų142 Ų421%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-110110.6174.5-58.6179.6000108L495 L516 C521 A523 L540 H541 V542 K543 P551 W553L495-L518 HydrophobicContact CB-CD2 4.35Å; L495-L518 HydrophobicContact CD1-CD2 4Å; L516-L518 HydrophobicContact CD1-CD2 4.14Å; L516-L518 HydrophobicContact CD2-CD1 4.45Å; L516-L518 HydrophobicContact CD2-CD2 4.17Å; L516-L518 HydrophobicContact CD2-CG 4.3Å; L516-L518 HydrophobicContact CG-CD2 4.06Å; L516-L518 HydrophobicContact CG-CG 4.19Å; L518-C521 HydrophobicContact CB-CB 4.44Å; L518-A523 HydrophobicContact CD1-CB 3.95Å; L518-A523 HydrophobicContact CD2-CB 4.08Å; L518-L540 HydrophobicContact CD1-CD1 4.41Å; L518-H541 PolarHBondContact N-O 3.33Å; L518-V542 CarbonylContact O-C 3.47Å; L518-V542 WeakPolarHBondContact O-CA 3.35Å; L518-K543 PolarHBondContact O-N 3.38Å; L518-P551 HydrophobicContact CD1-CG 4.28Å; L518-W553 HydrophobicContact CD1-CH2 4.19Å; L518-W553 HydrophobicContact CD1-CZ2 4.08Å
519C92.9Very high90.6Very high4 Ų439.1 Ų39.13%0.02720%0.201CC..EExtended strand (participates in β ladder)trans-119.697.1-174.9-58.30000110.2L495 E496 L497 C521 K543L495-C519 PolarHBondContact O-N 3.31Å; E496-C519 WeakPolarHBondContact CA-O 3.37Å; E496-C519 HydrophobicContact CB-CB 3.82Å; E496-C519 HydrophobicContact CG-CB 3.6Å; L497-C519 PolarHBondContact N-O 2.91Å; C519-C521 PolarHBondContact O-SG 2.72Å; C519-K543 HydrophobicContact CB-CB 4.22Å; C519-K543 HydrophobicContact CB-CD 3.98Å; C519-K543 HydrophobicContact CB-CG 4.25Å; C519-K543 VanDerWaalsContact SG-CD 3.54Å; C519-K543 WeakPolarHBondContact SG-CE 3.42Å; C519-K543 PolarHBondContact SG-NZ 2.93Å
520H90.3Very high90.7Very high59 Ų5935.2 Ų35.227%0.27318%0.183SC..SBendtrans58.246.7-171.9-51.1-73000112.2L497 K543 T545 E549L497-H520 HydrophobicContact CD2-CB 3.93Å; H520-K543 PolarHBondContact N-O 3.5Å; H520-T545 PolarHBondContact CE1-N 3.1Å; H520-T545 PolarHBondContact ND1-N 3.26Å; H520-T545 PolarHBondContact ND1-OG1 2.91Å; H520-E549 IonicContact CG-OE2 3.44Å; H520-E549 IonicContact ND1-OE2 3.52Å; H520-E549 PolarHBondContact ND1-OE2 2.92Å; H520-E549 VanDerWaalsContact ND1-OE2 3.16Å
521C89.1Confident90.8Very high4 Ų437 Ų373%0.02720%0.196CC..  trans-132.2100.6-174.7-65.70000109.9L495 I498 A501 L518 C519 A523L495-C521 VanDerWaalsContact C-SG 3.5Å; L495-C521 PolarHBondContact O-SG 2.66Å; I498-C521 PolarHBondContact N-SG 3.33Å; A501-C521 HydrophobicContact CB-CB 4.44Å; L518-C521 HydrophobicContact CB-CB 4.44Å; C519-C521 PolarHBondContact O-SG 2.72Å; C521-A523 PolarHBondContact O-N 2.69Å
522P85.9Confident90.9Very high48 Ų4833.6 Ų33.631%0.31217%0.173SC..  trans-76.771.9-179.432.6-35.4000111.1P499 K524P499-P522 VanDerWaalsContact O-CG 3.31Å; P499-P522 WeakPolarHBondContact O-CG 3.31Å; P522-K524 PolarHBondContact O-N 3.48Å
523A88.5Confident91Very high4 Ų430.1 Ų30.13%0.03315%0.154CC..  trans-67.5119.6-166.300000114.1A501 I503 L518 C521 P551 W553A501-A523 HydrophobicContact CB-CB 4.3Å; A501-A523 CarbonylContact O-C 3.53Å; A501-A523 VanDerWaalsContact O-CA 3.29Å; A501-A523 WeakPolarHBondContact O-CA 3.45Å; I503-A523 HydrophobicContact CD1-CB 4.47Å; L518-A523 HydrophobicContact CD1-CB 3.95Å; L518-A523 HydrophobicContact CD2-CB 4.08Å; C521-A523 PolarHBondContact O-N 2.69Å; A523-P551 HydrophobicContact CB-CG 4.34Å; A523-W553 HydrophobicContact CB-CZ2 4.18Å; A523-W553 PolarHBondContact O-NE1 2.8Å
524K89.2Confident90.9Very high108 Ų10832.7 Ų32.747%0.4716%0.164SC..EExtended strand (participates in β ladder)trans-92.5134.4174.2-60.3169.9-166.7168.10108.7E500 A501 K502 I503 P522E500-K524 IonicContact OE1-NZ 2.97Å; E500-K524 PolarHBondContact OE1-NZ 2.87Å; E500-K524 IonicContact OE2-NZ 2.66Å; E500-K524 PolarHBondContact OE2-NZ 3.1Å; A501-K524 PolarHBondContact O-N 2.93Å; K502-K524 CarbonylContact C-O 3.41Å; K502-K524 WeakPolarHBondContact CA-O 3.43Å; I503-K524 PolarHBondContact N-O 3.08Å; P522-K524 PolarHBondContact O-N 3.48Å
525V90.4Very high90.7Very high19 Ų1933.1 Ų33.112%0.11517%0.168CC..EExtended strand (participates in β ladder)trans-135.4131.1-169.2-1750000110.7I503 A529 F530 L533 W553I503-V525 HydrophobicContact CB-CG1 4.31Å; I503-V525 HydrophobicContact CB-CG2 4.03Å; I503-V525 HydrophobicContact CD1-CG2 4.01Å; I503-V525 HydrophobicContact CG1-CG2 4.19Å; V525-A529 HydrophobicContact CG1-CB 3.67Å; V525-F530 HydrophobicContact CG1-CB 3.95Å; V525-L533 HydrophobicContact CG1-CD1 4.12Å; V525-W553 HydrophobicContact CG2-CD2 4.1Å; V525-W553 HydrophobicContact CG2-CH2 4.3Å; V525-W553 HydrophobicContact CG2-CZ2 3.51Å; V525-W553 VanDerWaalsContact CG2-NE1 3.34Å
526E88.2Confident90.4Very high59 Ų5936.3 Ų36.328%0.27618%0.183SC..  trans-66.2156.4175.7-71.9175.9-155.100112.8I503 P504 A505 T528 A529 F530I503-E526 PolarHBondContact O-N 3.16Å; P504-E526 WeakPolarHBondContact CA-OE1 3.18Å; P504-E526 VanDerWaalsContact CB-OE1 3.3Å; P504-E526 WeakPolarHBondContact CB-OE1 3.37Å; A505-E526 VanDerWaalsContact CB-OE2 3.3Å; A505-E526 WeakPolarHBondContact CB-OE2 3.45Å; A505-E526 PolarHBondContact N-OE2 3.28Å; E526-T528 PolarHBondContact O-N 2.89Å; E526-T528 PolarHBondContact OE2-OG1 3.06Å; E526-A529 HydrophobicContact CB-CB 4.14Å; E526-A529 PolarHBondContact O-N 3.4Å; E526-F530 WeakPolarHBondContact O-CB 3.16Å; E526-F530 PolarHBondContact O-N 2.8Å
527Q87.8Confident90.3Very high91 Ų9136.4 Ų36.443%0.42518%0.183SC..Hα-helixtrans-61.4-31-179.2-177.25876.500113.8S531Q527-S531 WeakPolarHBondContact O-CB 3.49Å; Q527-S531 PolarHBondContact O-N 2.91Å; Q527-S531 PolarHBondContact O-OG 2.66Å
528T88.6Confident90.2Very high68 Ų6840.6 Ų40.642%0.41720%0.198SC..Hα-helixtrans-71.1-55.1173.943.70000111A505 E526 F530 S531 F532A505-T528 WeakPolarHBondContact CB-OG1 3.32Å; E526-T528 PolarHBondContact O-N 2.89Å; E526-T528 PolarHBondContact OE2-OG1 3.06Å; T528-F530 VanDerWaalsContact C-N 3.34Å; T528-F530 PolarHBondContact O-N 2.92Å; T528-S531 WeakPolarHBondContact O-CB 3.47Å; T528-S531 PolarHBondContact O-N 3.41Å; T528-F532 PolarHBondContact O-N 2.97Å; T528-F532 VanDerWaalsContact O-N 3.11Å
529A91.2Very high90.3Very high0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-55.8-44.7175.800000112.5I503 I507 V525 E526 S531 F532 L533I503-A529 HydrophobicContact CG2-CB 4.27Å; I503-A529 WeakPolarHBondContact O-CB 3.22Å; I507-A529 HydrophobicContact CG2-CB 3.57Å; V525-A529 HydrophobicContact CG1-CB 3.67Å; E526-A529 HydrophobicContact CB-CB 4.14Å; E526-A529 PolarHBondContact O-N 3.4Å; A529-S531 VanDerWaalsContact C-N 3.31Å; A529-S531 PolarHBondContact O-N 2.6Å; A529-F532 PolarHBondContact O-N 3.43Å; A529-L533 WeakPolarHBondContact O-CG 3.41Å; A529-L533 PolarHBondContact O-N 3.3Å
530F92.1Very high90.4Very high12 Ų1240.6 Ų40.65%0.05320%0.198CC..Hα-helixtrans-61.6-38.9174.6170.4-104.7000112F259 V525 E526 T528 F532 L533 R534 W553 L556 L557F259-F530 HydrophobicContact CE1-CD1 4.36Å; F259-F530 HydrophobicContact CE1-CG 4.35Å; F259-F530 HydrophobicContact CZ-CD1 4.2Å; F259-F530 HydrophobicContact CZ-CE1 4.45Å; V525-F530 HydrophobicContact CG1-CB 3.95Å; E526-F530 WeakPolarHBondContact O-CB 3.16Å; E526-F530 PolarHBondContact O-N 2.8Å; T528-F530 VanDerWaalsContact C-N 3.34Å; T528-F530 PolarHBondContact O-N 2.92Å; F530-F532 VanDerWaalsContact C-N 3.32Å; F530-F532 PolarHBondContact O-N 2.94Å; F530-L533 PolarHBondContact O-N 3.31Å; F530-R534 HydrophobicContact CE2-CB 4.3Å; F530-R534 HydrophobicContact CZ-CB 4.14Å; F530-R534 HydrophobicContact CZ-CG 4.22Å; F530-R534 WeakPolarHBondContact O-CB 3.4Å; F530-R534 PolarHBondContact O-N 3.01Å; F530-W553 HydrophobicContact CD2-CB 3.96Å; F530-W553 HydrophobicContact CD2-CE3 4.36Å; F530-W553 HydrophobicContact CE2-CB 4.07Å; F530-L556 HydrophobicContact CE2-CB 3.95Å; F530-L556 HydrophobicContact CZ-CB 3.56Å; F530-L556 HydrophobicContact CZ-CD1 4.35Å; F530-L557 HydrophobicContact CE2-CD2 4.18Å
531S90.5Very high90.6Very high38 Ų3839.3 Ų39.327%0.26619%0.192SC..Hα-helixtrans-65.6-36.5178.3-61.10000112.1Q527 T528 A529Q527-S531 WeakPolarHBondContact O-CB 3.49Å; Q527-S531 PolarHBondContact O-N 2.91Å; Q527-S531 PolarHBondContact O-OG 2.66Å; T528-S531 WeakPolarHBondContact O-CB 3.47Å; T528-S531 PolarHBondContact O-N 3.41Å; A529-S531 VanDerWaalsContact C-N 3.31Å; A529-S531 PolarHBondContact O-N 2.6Å
532F91.2Very high90.8Very high20 Ų2039.3 Ų39.39%0.08819%0.192CC..Hα-helixtrans-65.2-54.6170.8173.9-99.3000111.7I507 M510 T528 A529 F530 R534 D535 H536I507-F532 HydrophobicContact CG1-CD1 4.44Å; I507-F532 HydrophobicContact CG1-CE1 4.42Å; I507-F532 HydrophobicContact CG2-CD1 4.27Å; I507-F532 WeakPolarHBondContact O-CE1 3.39Å; M510-F532 WeakPolarHBondContact O-CZ 3.42Å; T528-F532 PolarHBondContact O-N 2.97Å; T528-F532 VanDerWaalsContact O-N 3.11Å; A529-F532 PolarHBondContact O-N 3.43Å; F530-F532 VanDerWaalsContact C-N 3.32Å; F530-F532 PolarHBondContact O-N 2.94Å; F532-R534 VanDerWaalsContact C-N 3.34Å; F532-R534 PolarHBondContact O-N 3.17Å; F532-D535 PolarHBondContact O-N 2.96Å; F532-D535 VanDerWaalsContact O-N 3.16Å; F532-H536 AromaticContact CD2-CE1 3.57Å; F532-H536 AromaticContact CD2-CG 3.95Å; F532-H536 AromaticContact CD2-ND1 3.35Å; F532-H536 WeakPolarHBondContact CD2-ND1 3.42Å; F532-H536 HydrophobicContact CE1-CB 4.37Å; F532-H536 HydrophobicContact CE2-CB 4.23Å; F532-H536 AromaticContact CE2-CD2 3.77Å; F532-H536 AromaticContact CE2-CE1 3.59Å; F532-H536 AromaticContact CE2-CG 3.54Å; F532-H536 AromaticContact CE2-ND1 3.42Å; F532-H536 WeakPolarHBondContact CE2-ND1 3.34Å; F532-H536 AromaticContact CE2-NE2 3.82Å; F532-H536 AromaticContact CG-ND1 3.99Å; F532-H536 HydrophobicContact CZ-CB 4.05Å; F532-H536 AromaticContact CZ-CG 3.85Å; F532-H536 PolarHBondContact O-N 2.77Å; F532-H536 PolarHBondContact O-ND1 3.43Å
533L91.3Very high91.1Very high1 Ų140.2 Ų40.21%0.00519%0.191CC..Hα-helixtrans-59.1-41.1-177.5-75.6172.1000113I507 L513 V525 A529 F530 D535 H536 L537 W553 L557I507-L533 HydrophobicContact CD1-CD1 4.37Å; I507-L533 HydrophobicContact CD1-CD2 3.94Å; I507-L533 HydrophobicContact CD1-CG 4.31Å; L513-L533 HydrophobicContact CD2-CD2 4.46Å; V525-L533 HydrophobicContact CG1-CD1 4.12Å; A529-L533 WeakPolarHBondContact O-CG 3.41Å; A529-L533 PolarHBondContact O-N 3.3Å; F530-L533 PolarHBondContact O-N 3.31Å; L533-D535 PolarHBondContact O-N 3.47Å; L533-H536 PolarHBondContact O-N 2.93Å; L533-L537 HydrophobicContact CD2-CB 4.48Å; L533-L537 HydrophobicContact CD2-CD1 4.34Å; L533-L537 WeakPolarHBondContact O-CB 3.3Å; L533-L537 PolarHBondContact O-N 3.16Å; L533-W553 HydrophobicContact CD1-CZ3 4.42Å; L533-L557 HydrophobicContact CB-CD2 4.24Å
534R90Very high91.2Very high57 Ų5740.3 Ų40.322%0.21519%0.191CC..Hα-helixtrans-54.2-35178-178.9-168.772.1-138.4-7.5113.4F530 F532 L557 K558 N559F530-R534 HydrophobicContact CE2-CB 4.3Å; F530-R534 HydrophobicContact CZ-CB 4.14Å; F530-R534 HydrophobicContact CZ-CG 4.22Å; F530-R534 WeakPolarHBondContact O-CB 3.4Å; F530-R534 PolarHBondContact O-N 3.01Å; F532-R534 VanDerWaalsContact C-N 3.34Å; F532-R534 PolarHBondContact O-N 3.17Å; R534-L557 HydrophobicContact CB-CD2 4.47Å; R534-K558 HydrophobicContact CG-CB 4.12Å; R534-K558 HydrophobicContact CG-CD 4.32Å; R534-K558 HydrophobicContact CG-CG 3.97Å; R534-K558 PolarHBondContact O-N 2.97Å; R534-N559 PolarHBondContact O-N 3.33Å; R534-N559 VanDerWaalsContact O-N 3.16Å
535D87.7Confident91.1Very high65 Ų6539.8 Ų39.835%0.34820%0.197SC..Hα-helixtrans-104.5-21.2-170.1-62.5-12.2000112.4F532 L533 N559F532-D535 PolarHBondContact O-N 2.96Å; F532-D535 VanDerWaalsContact O-N 3.16Å; L533-D535 PolarHBondContact O-N 3.47Å; D535-N559 PolarHBondContact O-ND2 3.15Å
536H89.5Confident90.7Very high83 Ų8342.8 Ų42.838%0.38421%0.212SC..Hα-helixtrans-104.4-36.6179.9-64.678.8000114.5F532 L533 R538F532-H536 AromaticContact CD2-CE1 3.57Å; F532-H536 AromaticContact CD2-CG 3.95Å; F532-H536 AromaticContact CD2-ND1 3.35Å; F532-H536 WeakPolarHBondContact CD2-ND1 3.42Å; F532-H536 HydrophobicContact CE1-CB 4.37Å; F532-H536 HydrophobicContact CE2-CB 4.23Å; F532-H536 AromaticContact CE2-CD2 3.77Å; F532-H536 AromaticContact CE2-CE1 3.59Å; F532-H536 AromaticContact CE2-CG 3.54Å; F532-H536 AromaticContact CE2-ND1 3.42Å; F532-H536 WeakPolarHBondContact CE2-ND1 3.34Å; F532-H536 AromaticContact CE2-NE2 3.82Å; F532-H536 AromaticContact CG-ND1 3.99Å; F532-H536 HydrophobicContact CZ-CB 4.05Å; F532-H536 AromaticContact CZ-CG 3.85Å; F532-H536 PolarHBondContact O-N 2.77Å; F532-H536 PolarHBondContact O-ND1 3.43Å; L533-H536 PolarHBondContact O-N 2.93Å; H536-R538 PolarHBondContact O-N 2.99Å
537L93.1Very high90.2Very high1 Ų140.7 Ų40.71%0.00520%0.203CC..  trans-69.8129.2-171.3-162.476.8000111.7L516 L533 L540 L557 N559 L560L516-L537 HydrophobicContact CB-CD1 3.81Å; L516-L537 HydrophobicContact CB-CD2 4.11Å; L533-L537 HydrophobicContact CD2-CB 4.48Å; L533-L537 HydrophobicContact CD2-CD1 4.34Å; L533-L537 WeakPolarHBondContact O-CB 3.3Å; L533-L537 PolarHBondContact O-N 3.16Å; L537-L540 HydrophobicContact CD2-CB 4.16Å; L537-L540 HydrophobicContact CD2-CD1 4.01Å; L537-L557 HydrophobicContact CD2-CD1 4.05Å; L537-N559 CarbonylContact O-C 3.42Å; L537-L560 HydrophobicContact CD2-CD1 4.32Å
538R93.4Very high89.7Confident110 Ų11039.3 Ų39.342%0.41521%0.213SC..  trans-109-36.1-176.2-62.8178.7-177.7177.4-2.1112.6Q514 H536 R561 E562Q514-R538 HydrophobicContact CG-CG 4.42Å; Q514-R538 PolarHBondContact O-N 3.35Å; Q514-R538 VanDerWaalsContact OE1-CZ 3.29Å; H536-R538 PolarHBondContact O-N 2.99Å; R538-R561 PolarHBondContact O-N 2.97Å; R538-E562 PolarHBondContact O-N 3.19Å
539C95.1Very high89.5Confident6 Ų637.7 Ų37.74%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-125.8138.2178.4-177.50000110.7Q514 E515 L516 H541 E562Q514-C539 PolarHBondContact O-N 2.79Å; E515-C539 WeakPolarHBondContact CA-O 3.27Å; E515-C539 HydrophobicContact CB-CB 4.25Å; E515-C539 HydrophobicContact CG-CB 3.91Å; L516-C539 PolarHBondContact N-O 3Å; C539-H541 VanDerWaalsContact SG-CD2 3.59Å; C539-H541 PolarHBondContact SG-NE2 3.39Å; C539-H541 VanDerWaalsContact SG-NE2 3.45Å; C539-E562 WeakPolarHBondContact CA-O 3.31Å; C539-E562 HydrophobicContact CB-CB 4.08Å
540L95.3Very high89.3Confident0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-133.9127.2173.2-177.976.6000110L516 L518 L537 V542 V554 L557 L560 E562 L563 Y564L516-L540 HydrophobicContact CB-CD1 3.91Å; L516-L540 HydrophobicContact CD2-CD1 3.97Å; L516-L540 HydrophobicContact CG-CD1 4.02Å; L516-L540 WeakPolarHBondContact O-CA 3.36Å; L518-L540 HydrophobicContact CD1-CD1 4.41Å; L537-L540 HydrophobicContact CD2-CB 4.16Å; L537-L540 HydrophobicContact CD2-CD1 4.01Å; L540-V542 HydrophobicContact CD1-CG2 4.49Å; L540-V542 HydrophobicContact CD2-CG2 3.63Å; L540-V542 HydrophobicContact CG-CG2 3.83Å; L540-V554 HydrophobicContact CD2-CB 4.02Å; L540-V554 HydrophobicContact CD2-CG1 3.32Å; L540-V554 HydrophobicContact CD2-CG2 3.56Å; L540-L557 HydrophobicContact CD2-CD1 4.22Å; L540-L560 HydrophobicContact CB-CD1 3.78Å; L540-L560 HydrophobicContact CB-CD2 4.39Å; L540-E562 PolarHBondContact N-O 3.13Å; L540-L563 HydrophobicContact CB-CD1 4.22Å; L540-L563 HydrophobicContact CD2-CD1 4Å; L540-L563 HydrophobicContact CG-CD1 4.41Å; L540-Y564 PolarHBondContact O-N 3.03Å
541H95.1Very high88.9Confident31 Ų3138.5 Ų38.514%0.14421%0.207CC..EExtended strand (participates in β ladder)trans-104.6128.3166.2-63.7-111.4000109.4E515 L516 H517 L518 C539 Y564E515-H541 IonicContact OE1-NE2 3.89Å; L516-H541 PolarHBondContact O-N 2.89Å; H517-H541 CarbonylContact C-O 3.2Å; H517-H541 WeakPolarHBondContact CA-O 3.21Å; H517-H541 HydrophobicContact CB-CB 4.11Å; H517-H541 AromaticContact CD2-CD2 3.63Å; H517-H541 AromaticContact CE1-CD2 3.44Å; H517-H541 PolarHBondContact CE1-CD2 2.97Å; H517-H541 VanDerWaalsContact CE1-CD2 3.44Å; H517-H541 AromaticContact CE1-CE1 3.94Å; H517-H541 AromaticContact CE1-CG 3.6Å; H517-H541 AromaticContact CE1-ND1 3.89Å; H517-H541 AromaticContact CE1-NE2 3.68Å; H517-H541 AromaticContact CG-CG 3.96Å; H517-H541 AromaticContact ND1-CD2 3.93Å; H517-H541 AromaticContact ND1-CG 3.71Å; H517-H541 AromaticContact NE2-CD2 3.24Å; H517-H541 PolarHBondContact NE2-CD2 3.46Å; H517-H541 AromaticContact NE2-CG 3.82Å; H517-H541 AromaticContact NE2-NE2 3.62Å; L518-H541 PolarHBondContact N-O 3.33Å; C539-H541 VanDerWaalsContact SG-CD2 3.59Å; C539-H541 PolarHBondContact SG-NE2 3.39Å; C539-H541 VanDerWaalsContact SG-NE2 3.45Å; H541-Y564 AromaticContact CD2-CD2 3.92Å; H541-Y564 AromaticContact CE1-CD1 3.65Å; H541-Y564 AromaticContact CE1-CD2 3.33Å; H541-Y564 WeakPolarHBondContact CE1-CD2 3.38Å; H541-Y564 AromaticContact CE1-CE1 3.96Å; H541-Y564 AromaticContact CE1-CE2 3.67Å; H541-Y564 AromaticContact CE1-CG 3.35Å; H541-Y564 AromaticContact CE1-CZ 3.98Å; H541-Y564 WeakPolarHBondContact ND1-CB 3.41Å; H541-Y564 AromaticContact ND1-CD1 3.89Å; H541-Y564 AromaticContact ND1-CD2 3.71Å; H541-Y564 AromaticContact ND1-CG 3.4Å; H541-Y564 AromaticContact NE2-CD2 3.48Å; H541-Y564 WeakPolarHBondContact NE2-CD2 3.32Å; H541-Y564 AromaticContact NE2-CE2 3.68Å; H541-Y564 AromaticContact NE2-CG 3.97Å
542V93.5Very high88.6Confident4 Ų439.3 Ų39.32%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-124108172.2-169.50000108.2L518 L540 F544 Y564 L565 I566L518-V542 CarbonylContact O-C 3.47Å; L518-V542 WeakPolarHBondContact O-CA 3.35Å; L540-V542 HydrophobicContact CD1-CG2 4.49Å; L540-V542 HydrophobicContact CD2-CG2 3.63Å; L540-V542 HydrophobicContact CG-CG2 3.83Å; V542-F544 HydrophobicContact CG1-CD1 4.2Å; V542-Y564 PolarHBondContact N-O 3.02Å; V542-L565 HydrophobicContact CB-CD2 4.15Å; V542-L565 HydrophobicContact CG2-CD2 4.36Å; V542-I566 PolarHBondContact O-N 2.92Å
543K92.4Very high88.5Confident68 Ų6839 Ų3930%0.29621%0.214SC..EExtended strand (participates in β ladder)trans-93.8130.4163.1-45.3179.9-159.1152.70108.7E496 L518 C519 H520 I566E496-K543 IonicContact OE1-NZ 3.05Å; E496-K543 PolarHBondContact OE1-NZ 3.17Å; L518-K543 PolarHBondContact O-N 3.38Å; C519-K543 HydrophobicContact CB-CB 4.22Å; C519-K543 HydrophobicContact CB-CD 3.98Å; C519-K543 HydrophobicContact CB-CG 4.25Å; C519-K543 VanDerWaalsContact SG-CD 3.54Å; C519-K543 WeakPolarHBondContact SG-CE 3.42Å; C519-K543 PolarHBondContact SG-NZ 2.93Å; H520-K543 PolarHBondContact N-O 3.5Å; K543-I566 CarbonylContact C-O 3.25Å; K543-I566 WeakPolarHBondContact CA-O 3.26Å; K543-I566 HydrophobicContact CB-CB 4.41Å; K543-I566 HydrophobicContact CG-CB 4.18Å; K543-I566 HydrophobicContact CG-CD1 4.41Å; K543-I566 HydrophobicContact CG-CG2 4.37Å
544F89.8Confident88.3Confident6 Ų639 Ų393%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-142.7148.4-176.961.5-86.3000112.2V542 V547 E549 I550 L565 I566 G567 L569V542-F544 HydrophobicContact CG1-CD1 4.2Å; F544-V547 HydrophobicContact CE2-CG1 4.31Å; F544-E549 VanDerWaalsContact CA-OE2 3.27Å; F544-E549 WeakPolarHBondContact CA-OE2 3.35Å; F544-E549 HydrophobicContact CB-CB 4.03Å; F544-I550 HydrophobicContact CB-CG1 4.13Å; F544-I550 HydrophobicContact CD1-CD1 3.91Å; F544-I550 HydrophobicContact CD1-CG1 3.85Å; F544-I550 HydrophobicContact CD2-CD1 3.92Å; F544-I550 HydrophobicContact CD2-CG1 4.05Å; F544-I550 HydrophobicContact CE1-CD1 3.8Å; F544-I550 HydrophobicContact CE1-CG1 4.26Å; F544-I550 HydrophobicContact CE2-CD1 3.81Å; F544-I550 HydrophobicContact CE2-CG1 4.45Å; F544-I550 HydrophobicContact CG-CD1 3.97Å; F544-I550 HydrophobicContact CG-CG1 3.74Å; F544-I550 HydrophobicContact CZ-CD1 3.75Å; F544-L565 HydrophobicContact CE1-CB 4.32Å; F544-I566 PolarHBondContact N-O 3.3Å; F544-G567 WeakPolarHBondContact O-CA 3.38Å; F544-L569 HydrophobicContact CE2-CD2 3.81Å; F544-L569 HydrophobicContact CE2-CG 4.26Å; F544-L569 HydrophobicContact CZ-CD1 4.38Å; F544-L569 HydrophobicContact CZ-CD2 3.77Å; F544-L569 HydrophobicContact CZ-CG 3.95Å
545T86.1Confident88Confident96 Ų9636.7 Ų36.759%0.58921%0.205SC*.SBendtrans-92.2-51.4172.47.60000110.9H520 E549H520-T545 PolarHBondContact CE1-N 3.1Å; H520-T545 PolarHBondContact ND1-N 3.26Å; H520-T545 PolarHBondContact ND1-OG1 2.91Å; T545-E549 WeakPolarHBondContact CA-OE1 3.4Å; T545-E549 WeakPolarHBondContact CB-OE1 3.01Å; T545-E549 VanDerWaalsContact N-CD 3.32Å; T545-E549 PolarHBondContact N-OE1 3.19Å; T545-E549 VanDerWaalsContact N-OE1 3.11Å; T545-E549 PolarHBondContact N-OE2 2.87Å; T545-E549 VanDerWaalsContact OG1-CD 3.29Å; T545-E549 PolarHBondContact OG1-OE1 3.14Å; T545-E549 PolarHBondContact OG1-OE2 2.99Å
546D81.9Confident87.9Confident83 Ų8336.5 Ų36.544%0.44420%0.204SC..SBendtrans-111.4157.3171.5-17844.2000112.1G548 E549D546-G548 PolarHBondContact O-N 3.49Å; D546-G548 PolarHBondContact OD2-N 2.98Å; D546-G548 VanDerWaalsContact OD2-N 3.11Å; D546-E549 PolarHBondContact N-OE1 3.18Å; D546-E549 WeakPolarHBondContact O-CB 3.15Å; D546-E549 PolarHBondContact O-N 3.35Å
547V77.8Confident87.9Confident14 Ų1432.5 Ų32.59%0.08519%0.185CC..G310 helixtrans-68.8-20.6177.8-68.50000113.5F544 E549 I550 L569 N574F544-V547 HydrophobicContact CE2-CG1 4.31Å; V547-E549 PolarHBondContact O-N 3.42Å; V547-I550 HydrophobicContact CB-CD1 4.34Å; V547-I550 HydrophobicContact CG1-CD1 4.17Å; V547-I550 PolarHBondContact O-N 2.93Å; V547-I550 VanDerWaalsContact O-N 3.12Å; V547-L569 HydrophobicContact CG1-CD2 3.68Å; V547-N574 HydrophobicContact CG1-CB 3.63Å; V547-N574 HydrophobicContact CG2-CB 4.19Å
548G77.8Confident87.5Confident62 Ų6238.4 Ų38.464%0.63921%0.211SC*.G310 helixtrans-63.1-19.5171.500000114.1D546 I550D546-G548 PolarHBondContact O-N 3.49Å; D546-G548 PolarHBondContact OD2-N 2.98Å; D546-G548 VanDerWaalsContact OD2-N 3.11Å; G548-I550 VanDerWaalsContact C-N 3.34Å
549E84.3Confident87.3Confident35 Ų3536.2 Ų36.216%0.16421%0.208CC..G310 helixtrans-76.1-19.9174.5-64.5162.5-132.400112.8H520 F544 T545 D546 V547 P551H520-E549 IonicContact CG-OE2 3.44Å; H520-E549 IonicContact ND1-OE2 3.52Å; H520-E549 PolarHBondContact ND1-OE2 2.92Å; H520-E549 VanDerWaalsContact ND1-OE2 3.16Å; F544-E549 VanDerWaalsContact CA-OE2 3.27Å; F544-E549 WeakPolarHBondContact CA-OE2 3.35Å; F544-E549 HydrophobicContact CB-CB 4.03Å; T545-E549 WeakPolarHBondContact CA-OE1 3.4Å; T545-E549 WeakPolarHBondContact CB-OE1 3.01Å; T545-E549 VanDerWaalsContact N-CD 3.32Å; T545-E549 PolarHBondContact N-OE1 3.19Å; T545-E549 VanDerWaalsContact N-OE1 3.11Å; T545-E549 PolarHBondContact N-OE2 2.87Å; T545-E549 VanDerWaalsContact OG1-CD 3.29Å; T545-E549 PolarHBondContact OG1-OE1 3.14Å; T545-E549 PolarHBondContact OG1-OE2 2.99Å; D546-E549 PolarHBondContact N-OE1 3.18Å; D546-E549 WeakPolarHBondContact O-CB 3.15Å; D546-E549 PolarHBondContact O-N 3.35Å; V547-E549 PolarHBondContact O-N 3.42Å; E549-P551 WeakPolarHBondContact O-CD 3.24Å
550I86.8Confident87.1Confident15 Ų1536 Ų368%0.07721%0.206CC..SBendtrans-79.9112.7-174.9-50.4173000109.5F544 V547 G548 A552 Y555F544-I550 HydrophobicContact CB-CG1 4.13Å; F544-I550 HydrophobicContact CD1-CD1 3.91Å; F544-I550 HydrophobicContact CD1-CG1 3.85Å; F544-I550 HydrophobicContact CD2-CD1 3.92Å; F544-I550 HydrophobicContact CD2-CG1 4.05Å; F544-I550 HydrophobicContact CE1-CD1 3.8Å; F544-I550 HydrophobicContact CE1-CG1 4.26Å; F544-I550 HydrophobicContact CE2-CD1 3.81Å; F544-I550 HydrophobicContact CE2-CG1 4.45Å; F544-I550 HydrophobicContact CG-CD1 3.97Å; F544-I550 HydrophobicContact CG-CG1 3.74Å; F544-I550 HydrophobicContact CZ-CD1 3.75Å; V547-I550 HydrophobicContact CB-CD1 4.34Å; V547-I550 HydrophobicContact CG1-CD1 4.17Å; V547-I550 PolarHBondContact O-N 2.93Å; V547-I550 VanDerWaalsContact O-N 3.12Å; G548-I550 VanDerWaalsContact C-N 3.34Å; I550-A552 PolarHBondContact O-N 3.46Å; I550-Y555 HydrophobicContact CG2-CE2 4.36Å; I550-Y555 WeakPolarHBondContact CG2-OH 3.41Å
551P85.2Confident87.1Confident13 Ų1341.3 Ų41.38%0.08423%0.226CC..  trans-74.1125.9-172.8-17.833.3000111.9L518 A523 E549 W553 V554L518-P551 HydrophobicContact CD1-CG 4.28Å; A523-P551 HydrophobicContact CB-CG 4.34Å; E549-P551 WeakPolarHBondContact O-CD 3.24Å; P551-W553 HydrophobicContact CB-CD2 4.28Å; P551-W553 HydrophobicContact CB-CG 4.25Å; P551-W553 HydrophobicContact CB-CZ2 4.11Å; P551-W553 HydrophobicContact CG-CZ2 4.24Å; P551-W553 PolarHBondContact O-N 3.36Å; P551-V554 HydrophobicContact CB-CG2 4.32Å; P551-V554 HydrophobicContact CG-CG2 4.49Å; P551-V554 VanDerWaalsContact O-CB 3.26Å; P551-V554 WeakPolarHBondContact O-CB 3.43Å; P551-V554 VanDerWaalsContact O-CG2 3.28Å; P551-V554 WeakPolarHBondContact O-CG2 3.09Å; P551-V554 PolarHBondContact O-N 3.35Å
552A83.8Confident87Confident55 Ų5542.9 Ų42.946%0.45523%0.233SC..G310 helixtrans-60.7-17.7-17500000115L257 I550 V554L257-A552 HydrophobicContact CD2-CB 4.19Å; I550-A552 PolarHBondContact O-N 3.46Å; A552-V554 VanDerWaalsContact C-N 3.27Å; A552-V554 PolarHBondContact O-N 3.21Å
553W87.8Confident87.1Confident14 Ų1442.7 Ų42.75%0.05323%0.232CC..G310 helixtrans-70.9-19.4173.659.9-101.9000113.6L516 L518 A523 V525 F530 L533 P551 Y555 L556 L557L516-W553 HydrophobicContact CD2-CH2 4.17Å; L518-W553 HydrophobicContact CD1-CH2 4.19Å; L518-W553 HydrophobicContact CD1-CZ2 4.08Å; A523-W553 HydrophobicContact CB-CZ2 4.18Å; A523-W553 PolarHBondContact O-NE1 2.8Å; V525-W553 HydrophobicContact CG2-CD2 4.1Å; V525-W553 HydrophobicContact CG2-CH2 4.3Å; V525-W553 HydrophobicContact CG2-CZ2 3.51Å; V525-W553 VanDerWaalsContact CG2-NE1 3.34Å; F530-W553 HydrophobicContact CD2-CB 3.96Å; F530-W553 HydrophobicContact CD2-CE3 4.36Å; F530-W553 HydrophobicContact CE2-CB 4.07Å; L533-W553 HydrophobicContact CD1-CZ3 4.42Å; P551-W553 HydrophobicContact CB-CD2 4.28Å; P551-W553 HydrophobicContact CB-CG 4.25Å; P551-W553 HydrophobicContact CB-CZ2 4.11Å; P551-W553 HydrophobicContact CG-CZ2 4.24Å; P551-W553 PolarHBondContact O-N 3.36Å; W553-Y555 VanDerWaalsContact C-N 3.27Å; W553-Y555 PolarHBondContact O-N 3.08Å; W553-L556 WeakPolarHBondContact O-CB 3.25Å; W553-L556 PolarHBondContact O-N 3.31Å; W553-L557 HydrophobicContact CE3-CD1 4.36Å; W553-L557 HydrophobicContact CE3-CD2 4.08Å; W553-L557 HydrophobicContact CE3-CG 4.33Å; W553-L557 HydrophobicContact CZ3-CD1 4Å; W553-L557 HydrophobicContact CZ3-CD2 4.1Å; W553-L557 HydrophobicContact CZ3-CG 4.39Å
554V87.4Confident87.1Confident0 Ų042 Ų420%023%0.228CC..G310 helixtrans-56.2-41179164.70000112L540 P551 A552 L556 L557 L563L540-V554 HydrophobicContact CD2-CB 4.02Å; L540-V554 HydrophobicContact CD2-CG1 3.32Å; L540-V554 HydrophobicContact CD2-CG2 3.56Å; P551-V554 HydrophobicContact CB-CG2 4.32Å; P551-V554 HydrophobicContact CG-CG2 4.49Å; P551-V554 VanDerWaalsContact O-CB 3.26Å; P551-V554 WeakPolarHBondContact O-CB 3.43Å; P551-V554 VanDerWaalsContact O-CG2 3.28Å; P551-V554 WeakPolarHBondContact O-CG2 3.09Å; P551-V554 PolarHBondContact O-N 3.35Å; A552-V554 VanDerWaalsContact C-N 3.27Å; A552-V554 PolarHBondContact O-N 3.21Å; V554-L556 PolarHBondContact O-N 3.36Å; V554-L557 WeakPolarHBondContact O-CB 3.36Å; V554-L557 WeakPolarHBondContact O-CD1 3.19Å; V554-L557 VanDerWaalsContact O-CG 3.25Å; V554-L557 WeakPolarHBondContact O-CG 3.39Å; V554-L557 PolarHBondContact O-N 3.41Å; V554-L563 HydrophobicContact CG1-CD1 4.33Å
555Y84.2Confident87.2Confident9 Ų941.8 Ų41.84%0.03523%0.227CC..G310 helixtrans-72.6-10.1-179-50.3-80.3000113.7I550 W553 G578 S581 L582 L585I550-Y555 HydrophobicContact CG2-CE2 4.36Å; I550-Y555 WeakPolarHBondContact CG2-OH 3.41Å; W553-Y555 VanDerWaalsContact C-N 3.27Å; W553-Y555 PolarHBondContact O-N 3.08Å; Y555-G578 WeakPolarHBondContact OH-CA 3.29Å; Y555-G578 PolarHBondContact OH-O 3.35Å; Y555-S581 VanDerWaalsContact CG-CB 3.49Å; Y555-L582 HydrophobicContact CD1-CD2 4.04Å; Y555-L582 HydrophobicContact CD1-CG 4.35Å; Y555-L582 HydrophobicContact CE1-CD2 4.09Å; Y555-L582 HydrophobicContact CE1-CG 4.34Å; Y555-L585 WeakPolarHBondContact O-CD2 3.46Å
556L86.4Confident87.5Confident61 Ų6139.5 Ų39.532%0.31921%0.211SC..G310 helixtrans-96.80.5-179.2-53.9178.2000112.7L257 F530 W553 V554 K558L257-L556 HydrophobicContact CD1-CD1 4.38Å; F530-L556 HydrophobicContact CE2-CB 3.95Å; F530-L556 HydrophobicContact CZ-CB 3.56Å; F530-L556 HydrophobicContact CZ-CD1 4.35Å; W553-L556 WeakPolarHBondContact O-CB 3.25Å; W553-L556 PolarHBondContact O-N 3.31Å; V554-L556 PolarHBondContact O-N 3.36Å; L556-K558 PolarHBondContact O-N 3.09Å; L556-K558 VanDerWaalsContact O-N 3.16Å
557L88.2Confident87.7Confident0 Ų036.4 Ų36.40%020%0.198CC..  trans-73.997.5-179.3-62.5173.3000111.5F530 L533 R534 L537 L540 W553 V554 N559 L560 L585F530-L557 HydrophobicContact CE2-CD2 4.18Å; L533-L557 HydrophobicContact CB-CD2 4.24Å; R534-L557 HydrophobicContact CB-CD2 4.47Å; L537-L557 HydrophobicContact CD2-CD1 4.05Å; L540-L557 HydrophobicContact CD2-CD1 4.22Å; W553-L557 HydrophobicContact CE3-CD1 4.36Å; W553-L557 HydrophobicContact CE3-CD2 4.08Å; W553-L557 HydrophobicContact CE3-CG 4.33Å; W553-L557 HydrophobicContact CZ3-CD1 4Å; W553-L557 HydrophobicContact CZ3-CD2 4.1Å; W553-L557 HydrophobicContact CZ3-CG 4.39Å; V554-L557 WeakPolarHBondContact O-CB 3.36Å; V554-L557 WeakPolarHBondContact O-CD1 3.19Å; V554-L557 VanDerWaalsContact O-CG 3.25Å; V554-L557 WeakPolarHBondContact O-CG 3.39Å; V554-L557 PolarHBondContact O-N 3.41Å; L557-N559 PolarHBondContact O-N 3.45Å; L557-L560 HydrophobicContact CB-CB 4.05Å; L557-L560 HydrophobicContact CD1-CD1 4.35Å; L557-L560 HydrophobicContact CD1-CD2 4.44Å; L557-L560 PolarHBondContact O-N 3.23Å; L557-L585 HydrophobicContact CB-CD2 4.44Å; L557-L585 VanDerWaalsContact O-CD2 3.29Å; L557-L585 WeakPolarHBondContact O-CD2 3.46Å
558K85.3Confident87.9Confident125 Ų12538.7 Ų38.754%0.54321%0.21SC..THydrogen-bonded Turntrans-65.7-34.7-170.6-68.6-179.2179.3176.40114.4R534 L556 H587R534-K558 HydrophobicContact CG-CB 4.12Å; R534-K558 HydrophobicContact CG-CD 4.32Å; R534-K558 HydrophobicContact CG-CG 3.97Å; R534-K558 PolarHBondContact O-N 2.97Å; L556-K558 PolarHBondContact O-N 3.09Å; L556-K558 VanDerWaalsContact O-N 3.16Å; K558-H587 PolarHBondContact O-ND1 3.36Å
559N88.7Confident87.8Confident64 Ų6435.8 Ų35.834%0.34218%0.18SC..THydrogen-bonded Turntrans-976.3-175-75.3-10000114.4R534 D535 L537 L557 R561R534-N559 PolarHBondContact O-N 3.33Å; R534-N559 VanDerWaalsContact O-N 3.16Å; D535-N559 PolarHBondContact O-ND2 3.15Å; L537-N559 CarbonylContact O-C 3.42Å; L557-N559 PolarHBondContact O-N 3.45Å; N559-R561 PolarHBondContact O-N 3Å
560L92.4Very high86.9Confident0 Ų038.5 Ų38.50%020%0.196CC..  trans-63.3128.3177.6-163.674.3000111L537 L540 L557 L563 L585 H587 L588L537-L560 HydrophobicContact CD2-CD1 4.32Å; L540-L560 HydrophobicContact CB-CD1 3.78Å; L540-L560 HydrophobicContact CB-CD2 4.39Å; L557-L560 HydrophobicContact CB-CB 4.05Å; L557-L560 HydrophobicContact CD1-CD1 4.35Å; L557-L560 HydrophobicContact CD1-CD2 4.44Å; L557-L560 PolarHBondContact O-N 3.23Å; L560-L563 HydrophobicContact CD2-CB 4.05Å; L560-L563 HydrophobicContact CD2-CD1 4.13Å; L560-L563 HydrophobicContact CD2-CG 4.48Å; L560-L585 HydrophobicContact CB-CD2 4.49Å; L560-L585 HydrophobicContact CD2-CD1 4.3Å; L560-L585 HydrophobicContact CD2-CD2 4.39Å; L560-H587 CarbonylContact O-C 3.6Å; L560-H587 VanDerWaalsContact O-C 3.28Å; L560-L588 PolarHBondContact O-N 3.49Å
561R93.4Very high86Confident112 Ų11240.3 Ų40.342%0.42321%0.209SC..  trans-109-30.1-179.4-61.7178.8-179.2-176.7-0.5112.2R538 N559 K589 I590R538-R561 PolarHBondContact O-N 2.97Å; N559-R561 PolarHBondContact O-N 3Å; R561-K589 PolarHBondContact O-N 3.38Å; R561-I590 PolarHBondContact O-N 3.01Å
562E95Very high84.9Confident64 Ų6444.7 Ų44.730%0.29923%0.229SC..EExtended strand (participates in β ladder)trans-133.7126.9-172.9-52.2-177.2-152.400109.3R538 C539 L540 Y564 I590R538-E562 PolarHBondContact O-N 3.19Å; C539-E562 WeakPolarHBondContact CA-O 3.31Å; C539-E562 HydrophobicContact CB-CB 4.08Å; L540-E562 PolarHBondContact N-O 3.13Å; E562-Y564 HydrophobicContact CB-CE2 4.05Å; E562-I590 WeakPolarHBondContact CA-O 3.38Å; E562-I590 HydrophobicContact CB-CB 4.25Å; E562-I590 HydrophobicContact CG-CB 4Å; E562-I590 HydrophobicContact CG-CD1 4Å; E562-I590 HydrophobicContact CG-CG1 4.04Å
563L93.9Very high83.8Confident0 Ų047.4 Ų47.40%024%0.236CC..EExtended strand (participates in β ladder)trans-131.4121.6179.3179.561.5000110L540 V554 L560 L565 L582 L585 L588 I590 L591 H592L540-L563 HydrophobicContact CB-CD1 4.22Å; L540-L563 HydrophobicContact CD2-CD1 4Å; L540-L563 HydrophobicContact CG-CD1 4.41Å; V554-L563 HydrophobicContact CG1-CD1 4.33Å; L560-L563 HydrophobicContact CD2-CB 4.05Å; L560-L563 HydrophobicContact CD2-CD1 4.13Å; L560-L563 HydrophobicContact CD2-CG 4.48Å; L563-L565 HydrophobicContact CD1-CD2 3.93Å; L563-L565 HydrophobicContact CD1-CG 4.37Å; L563-L565 HydrophobicContact CD2-CD1 4.29Å; L563-L565 HydrophobicContact CD2-CD2 4.34Å; L563-L565 HydrophobicContact CD2-CG 4.21Å; L563-L565 HydrophobicContact CG-CD2 4.15Å; L563-L565 HydrophobicContact CG-CG 4.04Å; L563-L582 HydrophobicContact CD2-CD2 3.73Å; L563-L585 HydrophobicContact CD2-CD1 3.93Å; L563-L588 HydrophobicContact CB-CD1 3.65Å; L563-I590 PolarHBondContact N-O 3.21Å; L563-L591 HydrophobicContact CB-CD1 4.17Å; L563-L591 HydrophobicContact CD2-CD1 4.1Å; L563-L591 HydrophobicContact CG-CD1 4.19Å; L563-H592 PolarHBondContact O-N 3.28Å
564Y94.1Very high82.7Confident53 Ų5348.3 Ų48.321%0.20824%0.242CC..EExtended strand (participates in β ladder)trans-112.5103.2177.2-64.2-105000109.2L540 H541 V542 E562 H592L540-Y564 PolarHBondContact O-N 3.03Å; H541-Y564 AromaticContact CD2-CD2 3.92Å; H541-Y564 AromaticContact CE1-CD1 3.65Å; H541-Y564 AromaticContact CE1-CD2 3.33Å; H541-Y564 WeakPolarHBondContact CE1-CD2 3.38Å; H541-Y564 AromaticContact CE1-CE1 3.96Å; H541-Y564 AromaticContact CE1-CE2 3.67Å; H541-Y564 AromaticContact CE1-CG 3.35Å; H541-Y564 AromaticContact CE1-CZ 3.98Å; H541-Y564 WeakPolarHBondContact ND1-CB 3.41Å; H541-Y564 AromaticContact ND1-CD1 3.89Å; H541-Y564 AromaticContact ND1-CD2 3.71Å; H541-Y564 AromaticContact ND1-CG 3.4Å; H541-Y564 AromaticContact NE2-CD2 3.48Å; H541-Y564 WeakPolarHBondContact NE2-CD2 3.32Å; H541-Y564 AromaticContact NE2-CE2 3.68Å; H541-Y564 AromaticContact NE2-CG 3.97Å; V542-Y564 PolarHBondContact N-O 3.02Å; E562-Y564 HydrophobicContact CB-CE2 4.05Å; Y564-H592 CarbonylContact C-O 3.35Å; Y564-H592 WeakPolarHBondContact CA-O 3.4Å; Y564-H592 HydrophobicContact CD1-CB 3.38Å; Y564-H592 AromaticContact CD1-CD2 3.93Å; Y564-H592 AromaticContact CD1-CG 3.45Å; Y564-H592 VanDerWaalsContact CD1-CG 3.45Å; Y564-H592 AromaticContact CD1-ND1 3.83Å; Y564-H592 HydrophobicContact CE1-CB 3.77Å; Y564-H592 AromaticContact CE1-CG 3.93Å; Y564-H592 HydrophobicContact CG-CB 3.98Å
565L91.3Very high81.6Confident2 Ų248.9 Ų48.91%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-97.1122.7173.5-61.6-180000109.1V542 F544 L563 L579 H592 V593 K594V542-L565 HydrophobicContact CB-CD2 4.15Å; V542-L565 HydrophobicContact CG2-CD2 4.36Å; F544-L565 HydrophobicContact CE1-CB 4.32Å; L563-L565 HydrophobicContact CD1-CD2 3.93Å; L563-L565 HydrophobicContact CD1-CG 4.37Å; L563-L565 HydrophobicContact CD2-CD1 4.29Å; L563-L565 HydrophobicContact CD2-CD2 4.34Å; L563-L565 HydrophobicContact CD2-CG 4.21Å; L563-L565 HydrophobicContact CG-CD2 4.15Å; L563-L565 HydrophobicContact CG-CG 4.04Å; L565-L579 HydrophobicContact CD1-CD2 3.74Å; L565-H592 PolarHBondContact N-O 3Å; L565-V593 CarbonylContact O-C 3.55Å; L565-V593 WeakPolarHBondContact O-CA 3.41Å; L565-K594 PolarHBondContact O-N 2.72Å
566I91.3Very high80.6Confident49 Ų4952.4 Ų52.425%0.25126%0.262SS..EExtended strand (participates in β ladder)trans-132.9100.1-176.1-57.4-179.6000108.5V542 K543 F544 K594V542-I566 PolarHBondContact O-N 2.92Å; K543-I566 CarbonylContact C-O 3.25Å; K543-I566 WeakPolarHBondContact CA-O 3.26Å; K543-I566 HydrophobicContact CB-CB 4.41Å; K543-I566 HydrophobicContact CG-CB 4.18Å; K543-I566 HydrophobicContact CG-CD1 4.41Å; K543-I566 HydrophobicContact CG-CG2 4.37Å; F544-I566 PolarHBondContact N-O 3.3Å; I566-K594 WeakPolarHBondContact CA-O 3.3Å; I566-K594 HydrophobicContact CB-CB 4.39Å; I566-K594 HydrophobicContact CG1-CB 4.13Å; I566-K594 HydrophobicContact CG2-CB 4.17Å; I566-K594 HydrophobicContact CG2-CD 4.23Å; I566-K594 HydrophobicContact CG2-CG 4.45Å
567G87.3Confident79.4Confident17 Ų1754.8 Ų54.818%0.17527%0.274CS..EExtended strand (participates in β ladder)trans171.2175.4-175.200000113.5F544 L569 K594 S595F544-G567 WeakPolarHBondContact O-CA 3.38Å; G567-L569 PolarHBondContact O-N 3.02Å; G567-K594 PolarHBondContact N-O 3.23Å; G567-S595 WeakPolarHBondContact O-CA 3.14Å; G567-S595 VanDerWaalsContact O-CB 3.24Å; G567-S595 WeakPolarHBondContact O-CB 3.46Å; G567-S595 PolarHBondContact O-OG 2.9Å
568N82Confident78.2Confident62 Ų6254.9 Ų54.933%0.33228%0.275SS..  trans-91.2107.2-167.2-166.66.8000113.5N570 N596N568-N570 PolarHBondContact ND2-ND2 3.48Å; N568-N570 PolarHBondContact OD1-N 2.8Å; N568-N570 PolarHBondContact OD1-ND2 3.08Å; N568-N570 PolarHBondContact OD1-OD1 3.16Å; N568-N596 PolarHBondContact OD1-ND2 3.21Å
569L74.5Confident77.4Confident2 Ų248.9 Ų48.91%0.0125%0.249CC..  trans-105.340.3179.2-59.1173.1000112.3F544 V547 G567 K575 L579 S595 L597F544-L569 HydrophobicContact CE2-CD2 3.81Å; F544-L569 HydrophobicContact CE2-CG 4.26Å; F544-L569 HydrophobicContact CZ-CD1 4.38Å; F544-L569 HydrophobicContact CZ-CD2 3.77Å; F544-L569 HydrophobicContact CZ-CG 3.95Å; V547-L569 HydrophobicContact CG1-CD2 3.68Å; G567-L569 PolarHBondContact O-N 3.02Å; L569-K575 HydrophobicContact CB-CG 4.26Å; L569-K575 WeakPolarHBondContact O-CE 3.45Å; L569-K575 VanDerWaalsContact O-CG 3.32Å; L569-K575 WeakPolarHBondContact O-CG 3.29Å; L569-L579 HydrophobicContact CD1-CD1 4.31Å; L569-S595 VanDerWaalsContact CB-OG 3.32Å; L569-S595 WeakPolarHBondContact CB-OG 3.4Å; L569-S595 WeakPolarHBondContact CG-OG 3.28Å; L569-S595 PolarHBondContact N-OG 2.77Å; L569-L597 HydrophobicContact CB-CD2 4.13Å; L569-L597 HydrophobicContact CD1-CD2 4.37Å
570N66.7Low76.4Confident92 Ų9251.1 Ų51.149%0.49226%0.257SS..  trans-57.1-51.4-177.8-89.2-14.7000113.8N568 K575 N596N568-N570 PolarHBondContact ND2-ND2 3.48Å; N568-N570 PolarHBondContact OD1-N 2.8Å; N568-N570 PolarHBondContact OD1-ND2 3.08Å; N568-N570 PolarHBondContact OD1-OD1 3.16Å; N570-K575 VanDerWaalsContact O-CE 3.23Å; N570-K575 WeakPolarHBondContact O-CE 3.33Å; N570-K575 PolarHBondContact O-NZ 2.6Å; N570-N596 WeakPolarHBondContact OD1-CB 3.35Å
571S66.7Low75.5Confident52 Ų5254 Ų5436%0.36428%0.277SS..SBendtrans-75.3142.8-175.1179.60000112.2N573 N574 K575S571-N573 PolarHBondContact O-N 3.3Å; S571-N573 PolarHBondContact OG-N 3.44Å; S571-N574 WeakPolarHBondContact CB-OD1 3.23Å; S571-N574 WeakPolarHBondContact O-CB 3.21Å; S571-N574 PolarHBondContact O-N 2.95Å; S571-N574 VanDerWaalsContact O-N 3.08Å; S571-K575 WeakPolarHBondContact O-CG 3.49Å; S571-K575 PolarHBondContact O-N 3.06Å
572E62.5Low74.8Confident105 Ų10548.7 Ų48.749%0.49126%0.257SS..Hα-helixtrans-60.8-33.4174-60.9-60.5139.300111.8N574 K575 M576E572-N574 VanDerWaalsContact C-N 3.34Å; E572-N574 PolarHBondContact O-N 3.49Å; E572-K575 PolarHBondContact O-N 2.7Å; E572-K575 IonicContact OE1-NZ 2.75Å; E572-K575 PolarHBondContact OE1-NZ 3.35Å; E572-K575 IonicContact OE2-NZ 2.81Å; E572-M576 WeakPolarHBondContact O-CG 3.37Å; E572-M576 PolarHBondContact O-N 2.92Å
573N61.7Low74Confident112 Ų11254 Ų5460%0.59928%0.275SS*.Hα-helixtrans-63.2-41.4173.7-65-0.2000111.2S571 K575 M576 I577S571-N573 PolarHBondContact O-N 3.3Å; S571-N573 PolarHBondContact OG-N 3.44Å; N573-K575 VanDerWaalsContact C-N 3.35Å; N573-M576 PolarHBondContact O-N 3.45Å; N573-I577 WeakPolarHBondContact O-CB 3.39Å; N573-I577 VanDerWaalsContact O-CG1 3.31Å; N573-I577 WeakPolarHBondContact O-CG1 3.37Å; N573-I577 PolarHBondContact O-N 2.99Å
574N63.9Low73.4Confident34 Ų3458.3 Ų58.318%0.18230%0.295CS..Hα-helixtrans-67.7-35.9177.4-67.741.7000111.1V547 S571 E572 G578V547-N574 HydrophobicContact CG1-CB 3.63Å; V547-N574 HydrophobicContact CG2-CB 4.19Å; S571-N574 WeakPolarHBondContact CB-OD1 3.23Å; S571-N574 WeakPolarHBondContact O-CB 3.21Å; S571-N574 PolarHBondContact O-N 2.95Å; S571-N574 VanDerWaalsContact O-N 3.08Å; E572-N574 VanDerWaalsContact C-N 3.34Å; E572-N574 PolarHBondContact O-N 3.49Å; N574-G578 PolarHBondContact O-N 3.23Å
575K64.7Low72.9Confident11 Ų1155.8 Ų55.85%0.04829%0.285CS..Hα-helixtrans-65.9-38.5173.6-65.6168.5-155.9168.50112.2L569 N570 S571 E572 N573 L579 T598L569-K575 HydrophobicContact CB-CG 4.26Å; L569-K575 WeakPolarHBondContact O-CE 3.45Å; L569-K575 VanDerWaalsContact O-CG 3.32Å; L569-K575 WeakPolarHBondContact O-CG 3.29Å; N570-K575 VanDerWaalsContact O-CE 3.23Å; N570-K575 WeakPolarHBondContact O-CE 3.33Å; N570-K575 PolarHBondContact O-NZ 2.6Å; S571-K575 WeakPolarHBondContact O-CG 3.49Å; S571-K575 PolarHBondContact O-N 3.06Å; E572-K575 PolarHBondContact O-N 2.7Å; E572-K575 IonicContact OE1-NZ 2.75Å; E572-K575 PolarHBondContact OE1-NZ 3.35Å; E572-K575 IonicContact OE2-NZ 2.81Å; N573-K575 VanDerWaalsContact C-N 3.35Å; K575-L579 VanDerWaalsContact O-CB 3.3Å; K575-L579 WeakPolarHBondContact O-CB 3.5Å; K575-L579 PolarHBondContact O-N 2.92Å; K575-T598 PolarHBondContact NZ-OG1 3.39Å
576M62.7Low72.5Confident84 Ų8462.9 Ų62.941%0.41431%0.312SS..Hα-helixtrans-66.4-64.5173.4-70.2-64.2-64.600110.1E572 N573 G578 L579 E580E572-M576 WeakPolarHBondContact O-CG 3.37Å; E572-M576 PolarHBondContact O-N 2.92Å; N573-M576 PolarHBondContact O-N 3.45Å; M576-G578 VanDerWaalsContact C-N 3.29Å; M576-G578 PolarHBondContact O-N 3.17Å; M576-L579 PolarHBondContact O-N 3.28Å; M576-L579 VanDerWaalsContact O-N 3.07Å; M576-E580 WeakPolarHBondContact O-CB 3.37Å; M576-E580 PolarHBondContact O-N 2.89Å
577I62Low72.3Confident110 Ų11065.7 Ų65.756%0.56432%0.323SS*.Hα-helixtrans-54.8-44.1-174.7-64.8164.8000111.7N573 L579N573-I577 WeakPolarHBondContact O-CB 3.39Å; N573-I577 VanDerWaalsContact O-CG1 3.31Å; N573-I577 WeakPolarHBondContact O-CG1 3.37Å; N573-I577 PolarHBondContact O-N 2.99Å; I577-L579 PolarHBondContact O-N 3.03Å
578G61.7Low72.5Confident2 Ų264.9 Ų64.92%0.02132%0.315CS..THydrogen-bonded Turntrans-78.3-6.8-177.100000116Y555 N574 M576Y555-G578 WeakPolarHBondContact OH-CA 3.29Å; Y555-G578 PolarHBondContact OH-O 3.35Å; N574-G578 PolarHBondContact O-N 3.23Å; M576-G578 VanDerWaalsContact C-N 3.29Å; M576-G578 PolarHBondContact O-N 3.17Å
579L68.3Low73Confident0 Ų067.1 Ų67.10%032%0.322CS..THydrogen-bonded Turntrans-139.1-11.4-175.1-55.1169.2000115L565 L569 K575 M576 I577 S581 L582 P601 N603 I604L565-L579 HydrophobicContact CD1-CD2 3.74Å; L569-L579 HydrophobicContact CD1-CD1 4.31Å; K575-L579 VanDerWaalsContact O-CB 3.3Å; K575-L579 WeakPolarHBondContact O-CB 3.5Å; K575-L579 PolarHBondContact O-N 2.92Å; M576-L579 PolarHBondContact O-N 3.28Å; M576-L579 VanDerWaalsContact O-N 3.07Å; I577-L579 PolarHBondContact O-N 3.03Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.45Å; L579-L582 HydrophobicContact CB-CD1 4.01Å; L579-L582 HydrophobicContact CB-CG 4.49Å; L579-L582 HydrophobicContact CD2-CD1 3.72Å; L579-L582 HydrophobicContact CD2-CG 4.5Å; L579-L582 HydrophobicContact CG-CD1 4.46Å; L579-L582 WeakPolarHBondContact O-CB 3.4Å; L579-L582 WeakPolarHBondContact O-CG 3.37Å; L579-L582 PolarHBondContact O-N 3.19Å; L579-P601 HydrophobicContact CD1-CB 3.94Å; L579-P601 HydrophobicContact CD1-CG 3.63Å; L579-N603 HydrophobicContact CB-CB 4.33Å; L579-N603 WeakPolarHBondContact O-CB 3.45Å; L579-I604 HydrophobicContact CD1-CD1 4.48Å
580E68.4Low73.9Confident111 Ų11168.6 Ų68.652%0.51933%0.329SS..G310 helixtrans-58.3-39.6-172.9179.5165.8-16300113.1M576 L582M576-E580 WeakPolarHBondContact O-CB 3.37Å; M576-E580 PolarHBondContact O-N 2.89Å; E580-L582 PolarHBondContact O-N 3.41Å
581S72.8Confident75.2Confident61 Ų6164.2 Ų64.243%0.42731%0.306SS..G310 helixtrans-83.4-0.8-177.3-63.20000114.9Y555 L579 R583 E584Y555-S581 VanDerWaalsContact CG-CB 3.49Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.45Å; S581-R583 PolarHBondContact O-N 3.4Å; S581-E584 PolarHBondContact O-N 3.47Å
582L79.1Confident76.5Confident0 Ų063.5 Ų63.50%030%0.297CS..G310 helixtrans-54.5-27.2-179.2-77.1177.9000113.6Y555 L563 L579 E580 E584 L585 I604 V607Y555-L582 HydrophobicContact CD1-CD2 4.04Å; Y555-L582 HydrophobicContact CD1-CG 4.35Å; Y555-L582 HydrophobicContact CE1-CD2 4.09Å; Y555-L582 HydrophobicContact CE1-CG 4.34Å; L563-L582 HydrophobicContact CD2-CD2 3.73Å; L579-L582 HydrophobicContact CB-CD1 4.01Å; L579-L582 HydrophobicContact CB-CG 4.49Å; L579-L582 HydrophobicContact CD2-CD1 3.72Å; L579-L582 HydrophobicContact CD2-CG 4.5Å; L579-L582 HydrophobicContact CG-CD1 4.46Å; L579-L582 WeakPolarHBondContact O-CB 3.4Å; L579-L582 WeakPolarHBondContact O-CG 3.37Å; L579-L582 PolarHBondContact O-N 3.19Å; E580-L582 PolarHBondContact O-N 3.41Å; L582-E584 PolarHBondContact O-N 3.32Å; L582-E584 VanDerWaalsContact O-N 3.07Å; L582-L585 HydrophobicContact CD2-CD1 3.74Å; L582-L585 WeakPolarHBondContact O-CB 3.32Å; L582-L585 PolarHBondContact O-N 3.38Å; L582-I604 HydrophobicContact CD1-CG1 4.2Å; L582-V607 HydrophobicContact CB-CG1 4.33Å; L582-V607 WeakPolarHBondContact O-CG1 3.47Å
583R79.4Confident77.8Confident175 Ų17558.5 Ų58.566%0.6627%0.274SS*.G310 helixtrans-54.8-24.5-178.6-177.3175.3174.8-169.5-1.2114.7S581 D606S581-R583 PolarHBondContact O-N 3.4Å; R583-D606 HydrophobicContact CB-CB 4.32Å; R583-D606 HydrophobicContact CG-CB 4.31Å
584E80.7Confident79.3Confident91 Ų9156 Ų5643%0.42526%0.257SS..G310 helixtrans-82.8-10.3178.1-63.5-59.8164.600114S581 L582 R586S581-E584 PolarHBondContact O-N 3.47Å; L582-E584 PolarHBondContact O-N 3.32Å; L582-E584 VanDerWaalsContact O-N 3.07Å; E584-R586 PolarHBondContact O-N 3.1Å; E584-R586 IonicContact OE2-CZ 2.65Å; E584-R586 IonicContact OE2-NE 3.99Å; E584-R586 PolarHBondContact OE2-NE 3.29Å; E584-R586 IonicContact OE2-NH2 2.6Å; E584-R586 PolarHBondContact OE2-NH2 3.13Å
585L83.9Confident80.4Confident0 Ų054.6 Ų54.60%025%0.25CS..  trans-80.161.9178.7-58.8179.4000112.4Y555 L557 L560 L563 L582 H587 L588Y555-L585 WeakPolarHBondContact O-CD2 3.46Å; L557-L585 HydrophobicContact CB-CD2 4.44Å; L557-L585 VanDerWaalsContact O-CD2 3.29Å; L557-L585 WeakPolarHBondContact O-CD2 3.46Å; L560-L585 HydrophobicContact CB-CD2 4.49Å; L560-L585 HydrophobicContact CD2-CD1 4.3Å; L560-L585 HydrophobicContact CD2-CD2 4.39Å; L563-L585 HydrophobicContact CD2-CD1 3.93Å; L582-L585 HydrophobicContact CD2-CD1 3.74Å; L582-L585 WeakPolarHBondContact O-CB 3.32Å; L582-L585 PolarHBondContact O-N 3.38Å; L585-H587 PolarHBondContact O-N 3.09Å; L585-H587 VanDerWaalsContact O-N 3.08Å; L585-L588 HydrophobicContact CB-CB 4.11Å; L585-L588 HydrophobicContact CD1-CD2 4.42Å; L585-L588 VanDerWaalsContact O-CB 3.25Å; L585-L588 WeakPolarHBondContact O-CB 3.34Å; L585-L588 PolarHBondContact O-N 3.36Å; L585-L588 VanDerWaalsContact O-N 3.1Å
586R82.4Confident81.4Confident151 Ų15155.7 Ų55.757%0.5726%0.257SS*.THydrogen-bonded Turntrans-65.4-12.4-170.7-58.7176.4-159.6-1653.1115.6E584 H610E584-R586 PolarHBondContact O-N 3.1Å; E584-R586 IonicContact OE2-CZ 2.65Å; E584-R586 IonicContact OE2-NE 3.99Å; E584-R586 PolarHBondContact OE2-NE 3.29Å; E584-R586 IonicContact OE2-NH2 2.6Å; E584-R586 PolarHBondContact OE2-NH2 3.13Å; R586-H610 PolarHBondContact O-CD2 2.75Å; R586-H610 VanDerWaalsContact O-CG 3.26Å; R586-H610 PolarHBondContact O-ND1 3.24Å
587H86.8Confident82.3Confident107 Ų10751.7 Ų51.750%0.49524%0.237SC..THydrogen-bonded Turntrans-106.14.9177.7-61.6120.4000113.7K558 L560 L585 K589K558-H587 PolarHBondContact O-ND1 3.36Å; L560-H587 CarbonylContact O-C 3.6Å; L560-H587 VanDerWaalsContact O-C 3.28Å; L585-H587 PolarHBondContact O-N 3.09Å; L585-H587 VanDerWaalsContact O-N 3.08Å; H587-K589 PolarHBondContact O-N 3.18Å
588L90.8Very high83.3Confident0 Ų049.1 Ų49.10%023%0.226CC..  trans-66.9118-178.6-169.371.4000111.2L560 L563 L585 I590 L591 V607 H610 L611L560-L588 PolarHBondContact O-N 3.49Å; L563-L588 HydrophobicContact CB-CD1 3.65Å; L585-L588 HydrophobicContact CB-CB 4.11Å; L585-L588 HydrophobicContact CD1-CD2 4.42Å; L585-L588 VanDerWaalsContact O-CB 3.25Å; L585-L588 WeakPolarHBondContact O-CB 3.34Å; L585-L588 PolarHBondContact O-N 3.36Å; L585-L588 VanDerWaalsContact O-N 3.1Å; L588-I590 WeakPolarHBondContact CD1-O 3.43Å; L588-L591 HydrophobicContact CD2-CB 4.24Å; L588-L591 HydrophobicContact CD2-CD1 4.45Å; L588-V607 HydrophobicContact CD2-CG2 4.47Å; L588-H610 CarbonylContact O-C 3.13Å; L588-H610 VanDerWaalsContact O-C 3.23Å; L588-H610 WeakPolarHBondContact O-CB 3.46Å; L588-L611 HydrophobicContact CD2-CD2 4.18Å; L588-L611 HydrophobicContact CG-CD2 4.12Å; L588-L611 PolarHBondContact O-N 2.9Å
589K92.8Very high84.3Confident109 Ų10954.1 Ų54.147%0.47425%0.248SC..  trans-104.9-37.8178.8-66.5-170.7179-171.70112.6R561 H587 T612 K613R561-K589 PolarHBondContact O-N 3.38Å; H587-K589 PolarHBondContact O-N 3.18Å; K589-T612 PolarHBondContact O-N 3.42Å; K589-T612 PolarHBondContact O-OG1 3.08Å; K589-K613 PolarHBondContact O-N 2.97Å
590I94.4Very high84.9Confident34 Ų3454.4 Ų54.417%0.17425%0.249CC..EExtended strand (participates in β ladder)trans-117.9122.3-179.3-49.8-170.8000108.6R561 E562 L563 L588 K613R561-I590 PolarHBondContact O-N 3.01Å; E562-I590 WeakPolarHBondContact CA-O 3.38Å; E562-I590 HydrophobicContact CB-CB 4.25Å; E562-I590 HydrophobicContact CG-CB 4Å; E562-I590 HydrophobicContact CG-CD1 4Å; E562-I590 HydrophobicContact CG-CG1 4.04Å; L563-I590 PolarHBondContact N-O 3.21Å; L588-I590 WeakPolarHBondContact CD1-O 3.43Å; I590-K613 WeakPolarHBondContact CA-O 3.37Å; I590-K613 HydrophobicContact CB-CB 4.46Å; I590-K613 HydrophobicContact CD1-CD 4.37Å; I590-K613 HydrophobicContact CG1-CB 4.12Å; I590-K613 HydrophobicContact CG2-CB 4.19Å; I590-K613 HydrophobicContact CG2-CD 4.04Å; I590-K613 HydrophobicContact CG2-CG 4.23Å
591L93.4Very high85.4Confident0 Ų049.8 Ų49.80%023%0.229CC..EExtended strand (participates in β ladder)trans-119.5123.7167.2177.565.5000108.9L563 L588 V593 I604 L611 K613 L614 V615L563-L591 HydrophobicContact CB-CD1 4.17Å; L563-L591 HydrophobicContact CD2-CD1 4.1Å; L563-L591 HydrophobicContact CG-CD1 4.19Å; L588-L591 HydrophobicContact CD2-CB 4.24Å; L588-L591 HydrophobicContact CD2-CD1 4.45Å; L591-V593 HydrophobicContact CD1-CG2 4.03Å; L591-V593 HydrophobicContact CD2-CG2 4.16Å; L591-V593 HydrophobicContact CG-CG2 3.92Å; L591-I604 HydrophobicContact CD2-CD1 4.27Å; L591-I604 HydrophobicContact CD2-CG1 4.27Å; L591-I604 HydrophobicContact CD2-CG2 3.59Å; L591-L611 HydrophobicContact CB-CD1 4.4Å; L591-L611 HydrophobicContact CB-CD2 3.64Å; L591-K613 PolarHBondContact N-O 2.6Å; L591-K613 VanDerWaalsContact N-O 3.13Å; L591-L614 HydrophobicContact CB-CD1 4.24Å; L591-L614 HydrophobicContact CD2-CD1 4.15Å; L591-L614 HydrophobicContact CG-CD1 4.29Å; L591-V615 PolarHBondContact O-N 3.42Å
592H93.7Very high85.7Confident36 Ų3650.6 Ų50.617%0.16723%0.234CC..EExtended strand (participates in β ladder)trans-117.4114.2174.2174.6-68.7000109.1L563 Y564 L565 V615L563-H592 PolarHBondContact O-N 3.28Å; Y564-H592 CarbonylContact C-O 3.35Å; Y564-H592 WeakPolarHBondContact CA-O 3.4Å; Y564-H592 HydrophobicContact CD1-CB 3.38Å; Y564-H592 AromaticContact CD1-CD2 3.93Å; Y564-H592 AromaticContact CD1-CG 3.45Å; Y564-H592 VanDerWaalsContact CD1-CG 3.45Å; Y564-H592 AromaticContact CD1-ND1 3.83Å; Y564-H592 HydrophobicContact CE1-CB 3.77Å; Y564-H592 AromaticContact CE1-CG 3.93Å; Y564-H592 HydrophobicContact CG-CB 3.98Å; L565-H592 PolarHBondContact N-O 3Å; H592-V615 WeakPolarHBondContact CA-O 3.33Å; H592-V615 HydrophobicContact CB-CB 4.18Å; H592-V615 VanDerWaalsContact CD2-CG1 3.45Å; H592-V615 WeakPolarHBondContact CD2-CG1 3.49Å
593V91Very high85.6Confident1 Ų151.5 Ų51.51%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-113.2112.7175.7-174.50000109.2L565 L591 L597 I604 V615 I616 H617L565-V593 CarbonylContact O-C 3.55Å; L565-V593 WeakPolarHBondContact O-CA 3.41Å; L591-V593 HydrophobicContact CD1-CG2 4.03Å; L591-V593 HydrophobicContact CD2-CG2 4.16Å; L591-V593 HydrophobicContact CG-CG2 3.92Å; V593-L597 HydrophobicContact CG1-CD1 4.12Å; V593-I604 HydrophobicContact CG2-CD1 4.36Å; V593-V615 PolarHBondContact N-O 3.3Å; V593-I616 WeakPolarHBondContact O-CA 3.44Å; V593-H617 PolarHBondContact O-N 3.26Å
594K91.4Very high85.8Confident58 Ų5843.1 Ų43.125%0.25221%0.207SC..EExtended strand (participates in β ladder)trans-100.9111.8164.8-177.4176-177-171.40109.1L565 I566 G567 H617 D619L565-K594 PolarHBondContact O-N 2.72Å; I566-K594 WeakPolarHBondContact CA-O 3.3Å; I566-K594 HydrophobicContact CB-CB 4.39Å; I566-K594 HydrophobicContact CG1-CB 4.13Å; I566-K594 HydrophobicContact CG2-CB 4.17Å; I566-K594 HydrophobicContact CG2-CD 4.23Å; I566-K594 HydrophobicContact CG2-CG 4.45Å; G567-K594 PolarHBondContact N-O 3.23Å; K594-H617 CarbonylContact C-O 3.23Å; K594-H617 VanDerWaalsContact CA-O 3.29Å; K594-H617 WeakPolarHBondContact CA-O 3.19Å; K594-H617 HydrophobicContact CB-CB 4.23Å; K594-H617 WeakPolarHBondContact CD-ND1 3.5Å; K594-H617 VanDerWaalsContact CE-ND1 3.27Å; K594-H617 WeakPolarHBondContact CE-ND1 3.36Å; K594-H617 HydrophobicContact CG-CB 4.09Å; K594-D619 WeakPolarHBondContact CE-OD1 3.27Å; K594-D619 WeakPolarHBondContact CE-OD2 3.35Å; K594-D619 IonicContact NZ-OD1 2.65Å; K594-D619 PolarHBondContact NZ-OD1 3.25Å; K594-D619 IonicContact NZ-OD2 2.78Å; K594-D619 PolarHBondContact NZ-OD2 3.38Å
595S87.5Confident85.7Confident5 Ų539.3 Ų39.34%0.03519%0.19CC..SBendtrans-164.9-168.7-174.1-156.30000112.7G567 L569 H617 N618G567-S595 WeakPolarHBondContact O-CA 3.14Å; G567-S595 VanDerWaalsContact O-CB 3.24Å; G567-S595 WeakPolarHBondContact O-CB 3.46Å; G567-S595 PolarHBondContact O-OG 2.9Å; L569-S595 VanDerWaalsContact CB-OG 3.32Å; L569-S595 WeakPolarHBondContact CB-OG 3.4Å; L569-S595 WeakPolarHBondContact CG-OG 3.28Å; L569-S595 PolarHBondContact N-OG 2.77Å; S595-H617 PolarHBondContact N-O 3.05Å; S595-N618 CarbonylContact O-C 3.52Å; S595-N618 WeakPolarHBondContact O-CA 3.45Å; S595-N618 PolarHBondContact O-OD1 3.05Å
596N85.8Confident85.5Confident35 Ų3542.9 Ų42.919%0.18721%0.209CC..  trans-113.263.7179.7-68.6-41.2000110.7N568 N570 T621N568-N596 PolarHBondContact OD1-ND2 3.21Å; N570-N596 WeakPolarHBondContact OD1-CB 3.35Å; N596-T621 WeakPolarHBondContact CA-OG1 3.43Å; N596-T621 HydrophobicContact CB-CG2 3.92Å
597L82.1Confident85.5Confident0 Ų035.7 Ų35.70%018%0.182CC..  trans-85.4117.9-172.6-55.5-180000111.9L569 V593 K599 I616 N618 L623L569-L597 HydrophobicContact CB-CD2 4.13Å; L569-L597 HydrophobicContact CD1-CD2 4.37Å; V593-L597 HydrophobicContact CG1-CD1 4.12Å; L597-K599 VanDerWaalsContact C-N 3.32Å; L597-I616 HydrophobicContact CD1-CG2 4.23Å; L597-N618 WeakPolarHBondContact CA-OD1 3.29Å; L597-N618 VanDerWaalsContact CB-OD1 3.27Å; L597-N618 WeakPolarHBondContact CB-OD1 3.29Å; L597-N618 PolarHBondContact N-OD1 3.41Å; L597-N618 PolarHBondContact O-ND2 2.98Å; L597-N618 PolarHBondContact O-OD1 3.05Å; L597-L623 HydrophobicContact CB-CD1 4.28Å; L597-L623 WeakPolarHBondContact O-CD1 3.43Å
598T82.4Confident85.2Confident55 Ų5530.8 Ų30.834%0.33716%0.16SC..SBendtrans-74.1-22.617053.50000113.3K575 L624K575-T598 PolarHBondContact NZ-OG1 3.39Å; T598-L624 PolarHBondContact O-N 2.92Å
599K82.8Confident84.9Confident108 Ų10834 Ų3447%0.4718%0.181SC..BIsolated β-bridgetrans-152.5151.3-177.7-55.9-179.9-174.4162.50108.9L597 P601 V625L597-K599 VanDerWaalsContact C-N 3.32Å; K599-P601 VanDerWaalsContact O-CD 3.25Å; K599-P601 WeakPolarHBondContact O-CD 3.43Å; K599-V625 HydrophobicContact CB-CB 4.09Å; K599-V625 HydrophobicContact CD-CB 4.16Å; K599-V625 HydrophobicContact CD-CG2 3.93Å; K599-V625 HydrophobicContact CG-CB 3.84Å; K599-V625 HydrophobicContact CG-CG2 3.87Å
600I81.8Confident84.6Confident5 Ų533 Ų333%0.02618%0.178CC..  trans-74.8116.6169.6-63.5-178.7000109.2I616 L623 V625 L626 S628 L629 M632I600-I616 HydrophobicContact CD1-CD1 3.63Å; I600-I616 HydrophobicContact CG1-CD1 3.82Å; I600-L623 HydrophobicContact CG1-CD1 4.19Å; I600-L623 HydrophobicContact CG1-CD2 4.31Å; I600-V625 PolarHBondContact N-O 3.44Å; I600-L626 HydrophobicContact CD1-CD2 3.4Å; I600-L626 VanDerWaalsContact CD1-CD2 3.4Å; I600-L626 HydrophobicContact CG1-CD2 3.86Å; I600-S628 PolarHBondContact O-OG 3.42Å; I600-S628 VanDerWaalsContact O-OG 3.08Å; I600-L629 HydrophobicContact CD1-CD1 4.45Å; I600-L629 HydrophobicContact CD1-CD2 3.55Å; I600-L629 HydrophobicContact CD1-CG 3.88Å; I600-M632 HydrophobicContact CG2-CE 4.36Å
601P78.8Confident84.4Confident15 Ų1531.3 Ų31.310%0.09717%0.169CC..  trans-61.6147.9-176.9-26.238.2000113.4L579 K599 N603 I604L579-P601 HydrophobicContact CD1-CB 3.94Å; L579-P601 HydrophobicContact CD1-CG 3.63Å; K599-P601 VanDerWaalsContact O-CD 3.25Å; K599-P601 WeakPolarHBondContact O-CD 3.43Å; P601-N603 PolarHBondContact O-N 2.95Å; P601-I604 PolarHBondContact O-N 3.32Å
602S77.9Confident84.4Confident78 Ų7834.1 Ų34.155%0.54519%0.186SC..G310 helixtrans-55-35.8178.830.50000113I604 T605S602-I604 PolarHBondContact O-N 3.42Å; S602-T605 VanDerWaalsContact O-CA 3.28Å; S602-T605 WeakPolarHBondContact O-CA 3.31Å; S602-T605 WeakPolarHBondContact O-CB 3.22Å; S602-T605 PolarHBondContact O-N 3.45Å; S602-T605 PolarHBondContact O-OG1 3.01Å
603N78.5Confident84.5Confident18 Ų1834.2 Ų34.210%0.09619%0.186CC..G310 helixtrans-71.5-30-171.5-47.771.9000112.6L579 P601 T605 D606L579-N603 HydrophobicContact CB-CB 4.33Å; L579-N603 WeakPolarHBondContact O-CB 3.45Å; P601-N603 PolarHBondContact O-N 2.95Å; N603-T605 PolarHBondContact O-N 2.84Å; N603-D606 PolarHBondContact O-N 2.86Å; N603-D606 VanDerWaalsContact O-N 3.09Å
604I82.9Confident84.6Confident0 Ų034.1 Ų34.10%019%0.186CC..G310 helixtrans-64.3-27.4169-55.2-176.4000110.3L579 L582 L591 V593 P601 S602 D606 V607 A608 L611 L614 M632L579-I604 HydrophobicContact CD1-CD1 4.48Å; L582-I604 HydrophobicContact CD1-CG1 4.2Å; L591-I604 HydrophobicContact CD2-CD1 4.27Å; L591-I604 HydrophobicContact CD2-CG1 4.27Å; L591-I604 HydrophobicContact CD2-CG2 3.59Å; V593-I604 HydrophobicContact CG2-CD1 4.36Å; P601-I604 PolarHBondContact O-N 3.32Å; S602-I604 PolarHBondContact O-N 3.42Å; I604-D606 PolarHBondContact O-N 2.97Å; I604-V607 WeakPolarHBondContact O-CG2 3.34Å; I604-A608 PolarHBondContact O-N 3.21Å; I604-L611 HydrophobicContact CG2-CD1 4.45Å; I604-L614 HydrophobicContact CG2-CD1 4.46Å; I604-M632 HydrophobicContact CB-CE 4.43Å; I604-M632 HydrophobicContact CG2-CE 3.79Å
605T78.6Confident84.7Confident10 Ų1031.6 Ų31.66%0.06118%0.175CC..G310 helixtrans-75.5-7.6175.6-10.30000114.4S602 N603 A608 S628 K631 M632S602-T605 VanDerWaalsContact O-CA 3.28Å; S602-T605 WeakPolarHBondContact O-CA 3.31Å; S602-T605 WeakPolarHBondContact O-CB 3.22Å; S602-T605 PolarHBondContact O-N 3.45Å; S602-T605 PolarHBondContact O-OG1 3.01Å; N603-T605 PolarHBondContact O-N 2.84Å; T605-A608 HydrophobicContact CG2-CB 4.33Å; T605-A608 WeakPolarHBondContact O-CB 3.47Å; T605-S628 WeakPolarHBondContact CG2-O 3.12Å; T605-K631 HydrophobicContact CG2-CB 3.66Å; T605-K631 HydrophobicContact CG2-CD 3.7Å; T605-K631 HydrophobicContact CG2-CG 3.92Å; T605-M632 HydrophobicContact CG2-CE 4.22Å
606D78.9Confident84.9Confident75 Ų7531.3 Ų31.340%0.40117%0.174SC..THydrogen-bonded Turntrans-87.4-26.8175.3-61.5-38.3000111.8R583 N603 I604 A608 P609R583-D606 HydrophobicContact CB-CB 4.32Å; R583-D606 HydrophobicContact CG-CB 4.31Å; N603-D606 PolarHBondContact O-N 2.86Å; N603-D606 VanDerWaalsContact O-N 3.09Å; I604-D606 PolarHBondContact O-N 2.97Å; D606-A608 VanDerWaalsContact C-N 3.34Å; D606-P609 WeakPolarHBondContact O-CD 3.4Å
607V83.7Confident85.2Confident1 Ų131.2 Ų31.21%0.00617%0.172CC..SBendtrans-87.3-2169.2-67.10000113.5L582 L588 I604 P609 H610 L611L582-V607 HydrophobicContact CB-CG1 4.33Å; L582-V607 WeakPolarHBondContact O-CG1 3.47Å; L588-V607 HydrophobicContact CD2-CG2 4.47Å; I604-V607 WeakPolarHBondContact O-CG2 3.34Å; V607-P609 VanDerWaalsContact C-N 3.35Å; V607-P609 VanDerWaalsContact O-N 3.16Å; V607-H610 PolarHBondContact O-N 3.3Å; V607-L611 HydrophobicContact CG2-CD1 3.91Å; V607-L611 HydrophobicContact CG2-CG 4.34Å; V607-L611 PolarHBondContact O-N 2.72Å
608A80.1Confident85.5Confident3 Ų331.2 Ų31.23%0.02517%0.172CC..THydrogen-bonded Turntrans-45.7-36.5175.100000117.4I604 T605 D606 H610 M632I604-A608 PolarHBondContact O-N 3.21Å; T605-A608 HydrophobicContact CG2-CB 4.33Å; T605-A608 WeakPolarHBondContact O-CB 3.47Å; D606-A608 VanDerWaalsContact C-N 3.34Å; A608-H610 VanDerWaalsContact C-N 3.29Å; A608-H610 PolarHBondContact O-N 2.85Å; A608-M632 HydrophobicContact CB-CB 4.41Å; A608-M632 HydrophobicContact CB-CG 3.78Å
609P83.8Confident85.5Confident69 Ų6932.3 Ų32.345%0.44818%0.176SC..THydrogen-bonded Turntrans-75.6-13.317929.1-35.5000114.1D606 V607 N634D606-P609 WeakPolarHBondContact O-CD 3.4Å; V607-P609 VanDerWaalsContact C-N 3.35Å; V607-P609 VanDerWaalsContact O-N 3.16Å; P609-N634 PolarHBondContact O-ND2 2.85Å
610H86.4Confident85.1Confident86 Ų8629 Ų2940%0.39817%0.172SC..THydrogen-bonded Turntrans-106.1-26.8-177.1-57.5-57.4000113.3R586 L588 V607 A608 T612R586-H610 PolarHBondContact O-CD2 2.75Å; R586-H610 VanDerWaalsContact O-CG 3.26Å; R586-H610 PolarHBondContact O-ND1 3.24Å; L588-H610 CarbonylContact O-C 3.13Å; L588-H610 VanDerWaalsContact O-C 3.23Å; L588-H610 WeakPolarHBondContact O-CB 3.46Å; V607-H610 PolarHBondContact O-N 3.3Å; A608-H610 VanDerWaalsContact C-N 3.29Å; A608-H610 PolarHBondContact O-N 2.85Å; H610-T612 PolarHBondContact O-N 3.25Å
611L90.3Very high85.2Confident0 Ų030.6 Ų30.60%018%0.182CC..  trans-63.6127.6178.5-72.6173.8000112.8L588 L591 I604 V607 N634 V635L588-L611 HydrophobicContact CD2-CD2 4.18Å; L588-L611 HydrophobicContact CG-CD2 4.12Å; L588-L611 PolarHBondContact O-N 2.9Å; L591-L611 HydrophobicContact CB-CD1 4.4Å; L591-L611 HydrophobicContact CB-CD2 3.64Å; I604-L611 HydrophobicContact CG2-CD1 4.45Å; V607-L611 HydrophobicContact CG2-CD1 3.91Å; V607-L611 HydrophobicContact CG2-CG 4.34Å; V607-L611 PolarHBondContact O-N 2.72Å; L611-N634 CarbonylContact O-C 3.44Å; L611-V635 HydrophobicContact CB-CG2 4.15Å; L611-V635 PolarHBondContact O-N 3.14Å
612T93.6Very high85.4Confident58 Ų5834 Ų3436%0.35620%0.196SC..SBendtrans-102.8-30.8168.859.10000111.9K589 H610 A636 E637K589-T612 PolarHBondContact O-N 3.42Å; K589-T612 PolarHBondContact O-OG1 3.08Å; H610-T612 PolarHBondContact O-N 3.25Å; T612-A636 PolarHBondContact O-N 3.31Å; T612-E637 PolarHBondContact O-N 3Å; T612-E637 VanDerWaalsContact O-N 3.07Å
613K95.1Very high85.7Confident38 Ų3830.6 Ų30.617%0.16517%0.171CC..EExtended strand (participates in β ladder)trans-129130.1177-177.1177.5-173.8106.90110.7K589 I590 L591 V615 E637 E639K589-K613 PolarHBondContact O-N 2.97Å; I590-K613 WeakPolarHBondContact CA-O 3.37Å; I590-K613 HydrophobicContact CB-CB 4.46Å; I590-K613 HydrophobicContact CD1-CD 4.37Å; I590-K613 HydrophobicContact CG1-CB 4.12Å; I590-K613 HydrophobicContact CG2-CB 4.19Å; I590-K613 HydrophobicContact CG2-CD 4.04Å; I590-K613 HydrophobicContact CG2-CG 4.23Å; L591-K613 PolarHBondContact N-O 2.6Å; L591-K613 VanDerWaalsContact N-O 3.13Å; K613-V615 HydrophobicContact CD-CG2 4.36Å; K613-V615 HydrophobicContact CG-CG2 4.19Å; K613-E637 WeakPolarHBondContact CA-O 3.45Å; K613-E637 HydrophobicContact CB-CB 4.07Å; K613-E637 HydrophobicContact CD-CB 4.43Å; K613-E637 WeakPolarHBondContact CD-OE2 3.35Å; K613-E637 HydrophobicContact CG-CB 3.83Å; K613-E637 IonicContact NZ-OE2 3.12Å; K613-E637 PolarHBondContact NZ-OE2 3.36Å; K613-E639 WeakPolarHBondContact CE-OE1 3.5Å; K613-E639 IonicContact NZ-OE1 2.59Å; K613-E639 PolarHBondContact NZ-OE1 2.88Å
614L93.8Very high85.5Confident0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans-125.3120.2172.6176.961.7000109.7L591 I604 I616 L629 M632 E637 L638 E639L591-L614 HydrophobicContact CB-CD1 4.24Å; L591-L614 HydrophobicContact CD2-CD1 4.15Å; L591-L614 HydrophobicContact CG-CD1 4.29Å; I604-L614 HydrophobicContact CG2-CD1 4.46Å; L614-I616 HydrophobicContact CD1-CG1 4.18Å; L614-I616 HydrophobicContact CD2-CD1 4.32Å; L614-I616 HydrophobicContact CG-CD1 4.46Å; L614-I616 HydrophobicContact CG-CG1 4.24Å; L614-L629 HydrophobicContact CD2-CD2 4.21Å; L614-M632 HydrophobicContact CD2-CE 4.1Å; L614-M632 HydrophobicContact CD2-SD 3.57Å; L614-M632 VanDerWaalsContact CD2-SD 3.57Å; L614-E637 PolarHBondContact N-O 2.99Å; L614-L638 HydrophobicContact CB-CD1 4.08Å; L614-L638 HydrophobicContact CD2-CD1 4.04Å; L614-L638 HydrophobicContact CG-CD1 4.16Å; L614-E639 PolarHBondContact O-N 3.03Å
615V94.1Very high85Confident4 Ų438.4 Ų38.42%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-113.7125.3173.3-176.20000109L591 H592 V593 K613 E639L591-V615 PolarHBondContact O-N 3.42Å; H592-V615 WeakPolarHBondContact CA-O 3.33Å; H592-V615 HydrophobicContact CB-CB 4.18Å; H592-V615 VanDerWaalsContact CD2-CG1 3.45Å; H592-V615 WeakPolarHBondContact CD2-CG1 3.49Å; V593-V615 PolarHBondContact N-O 3.3Å; K613-V615 HydrophobicContact CD-CG2 4.36Å; K613-V615 HydrophobicContact CG-CG2 4.19Å; V615-E639 WeakPolarHBondContact CA-O 3.48Å; V615-E639 HydrophobicContact CB-CB 4.31Å; V615-E639 HydrophobicContact CG1-CB 4.04Å; V615-E639 HydrophobicContact CG2-CB 4.07Å; V615-E639 HydrophobicContact CG2-CG 4.02Å
616I91.8Very high85Confident0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-122.3116.6170.3-57-179.7000107.7V593 L597 I600 L614 N618 E639 L640 Q641V593-I616 WeakPolarHBondContact O-CA 3.44Å; L597-I616 HydrophobicContact CD1-CG2 4.23Å; I600-I616 HydrophobicContact CD1-CD1 3.63Å; I600-I616 HydrophobicContact CG1-CD1 3.82Å; L614-I616 HydrophobicContact CD1-CG1 4.18Å; L614-I616 HydrophobicContact CD2-CD1 4.32Å; L614-I616 HydrophobicContact CG-CD1 4.46Å; L614-I616 HydrophobicContact CG-CG1 4.24Å; I616-N618 HydrophobicContact CG2-CB 4.48Å; I616-E639 PolarHBondContact N-O 3.45Å; I616-L640 HydrophobicContact CB-CD2 3.92Å; I616-L640 HydrophobicContact CD1-CD2 3.98Å; I616-L640 HydrophobicContact CG1-CD2 4.15Å; I616-Q641 PolarHBondContact O-N 3.23Å
617H92.3Very high85.1Confident33 Ų3340.4 Ų40.415%0.15322%0.224CC..EExtended strand (participates in β ladder)trans-111.5111.6172.9-178-154.2000108.8V593 K594 S595 D619 Q641 N642V593-H617 PolarHBondContact O-N 3.26Å; K594-H617 CarbonylContact C-O 3.23Å; K594-H617 VanDerWaalsContact CA-O 3.29Å; K594-H617 WeakPolarHBondContact CA-O 3.19Å; K594-H617 HydrophobicContact CB-CB 4.23Å; K594-H617 WeakPolarHBondContact CD-ND1 3.5Å; K594-H617 VanDerWaalsContact CE-ND1 3.27Å; K594-H617 WeakPolarHBondContact CE-ND1 3.36Å; K594-H617 HydrophobicContact CG-CB 4.09Å; S595-H617 PolarHBondContact N-O 3.05Å; H617-D619 IonicContact CE1-OD1 2.84Å; H617-D619 PolarHBondContact CE1-OD1 3.43Å; H617-D619 VanDerWaalsContact CE1-OD1 3.26Å; H617-D619 IonicContact ND1-OD1 3.1Å; H617-D619 IonicContact NE2-OD1 2.71Å; H617-D619 PolarHBondContact NE2-OD1 3.5Å; H617-Q641 WeakPolarHBondContact CA-O 3.2Å; H617-Q641 HydrophobicContact CB-CB 4.44Å; H617-N642 PolarHBondContact NE2-ND2 2.99Å
618N87.5Confident85Confident0 Ų041.4 Ų41.40%023%0.232CC..  trans-107.813.5-158.7-143.147000115.5S595 L597 I616 G620 T621 Q641 C643S595-N618 CarbonylContact O-C 3.52Å; S595-N618 WeakPolarHBondContact O-CA 3.45Å; S595-N618 PolarHBondContact O-OD1 3.05Å; L597-N618 WeakPolarHBondContact CA-OD1 3.29Å; L597-N618 VanDerWaalsContact CB-OD1 3.27Å; L597-N618 WeakPolarHBondContact CB-OD1 3.29Å; L597-N618 PolarHBondContact N-OD1 3.41Å; L597-N618 PolarHBondContact O-ND2 2.98Å; L597-N618 PolarHBondContact O-OD1 3.05Å; I616-N618 HydrophobicContact CG2-CB 4.48Å; N618-G620 PolarHBondContact O-N 2.97Å; N618-T621 PolarHBondContact ND2-O 2.96Å; N618-T621 PolarHBondContact ND2-OG1 3.45Å; N618-T621 PolarHBondContact O-N 2.93Å; N618-T621 PolarHBondContact O-OG1 3.25Å; N618-Q641 PolarHBondContact N-O 2.95Å; N618-C643 HydrophobicContact CB-CB 4.29Å; N618-C643 VanDerWaalsContact CB-SG 3.56Å
619D83.6Confident85.1Confident78 Ų7841.3 Ų41.342%0.41723%0.23SC..THydrogen-bonded Turntrans4329.9173.4-89.51.1000117.4K594 H617K594-D619 WeakPolarHBondContact CE-OD1 3.27Å; K594-D619 WeakPolarHBondContact CE-OD2 3.35Å; K594-D619 IonicContact NZ-OD1 2.65Å; K594-D619 PolarHBondContact NZ-OD1 3.25Å; K594-D619 IonicContact NZ-OD2 2.78Å; K594-D619 PolarHBondContact NZ-OD2 3.38Å; H617-D619 IonicContact CE1-OD1 2.84Å; H617-D619 PolarHBondContact CE1-OD1 3.43Å; H617-D619 VanDerWaalsContact CE1-OD1 3.26Å; H617-D619 IonicContact ND1-OD1 3.1Å; H617-D619 IonicContact NE2-OD1 2.71Å; H617-D619 PolarHBondContact NE2-OD1 3.5Å
620G74.1Confident85.2Confident39 Ų3943 Ų4340%0.40223%0.231SC..THydrogen-bonded Turntrans91.815177.300000114.5N618 N642N618-G620 PolarHBondContact O-N 2.97Å; G620-N642 WeakPolarHBondContact CA-O 3.32Å; G620-N642 PolarHBondContact N-O 3.4Å
621T82.6Confident85.1Confident38 Ų3845.5 Ų45.523%0.23324%0.24CC..  trans-94.7137.9170.158.60000112N596 N618 L623 C643N596-T621 WeakPolarHBondContact CA-OG1 3.43Å; N596-T621 HydrophobicContact CB-CG2 3.92Å; N618-T621 PolarHBondContact ND2-O 2.96Å; N618-T621 PolarHBondContact ND2-OG1 3.45Å; N618-T621 PolarHBondContact O-N 2.93Å; N618-T621 PolarHBondContact O-OG1 3.25Å; T621-L623 PolarHBondContact O-N 2.98Å; T621-C643 CarbonylContact O-C 3.28Å
622K84.4Confident84.8Confident87 Ų8745.5 Ų45.538%0.37824%0.241SC..  trans-74.5115.9-177.2-163.3167.4-168.3169.40112.8L624 E644 E646K622-L624 HydrophobicContact CD-CD2 4.12Å; K622-L624 HydrophobicContact CG-CD2 4.04Å; K622-L624 PolarHBondContact O-N 3.21Å; K622-E644 HydrophobicContact CB-CB 4.15Å; K622-E644 HydrophobicContact CG-CB 4.16Å; K622-E646 IonicContact NZ-OE1 3.49Å; K622-E646 PolarHBondContact NZ-OE1 2.87Å
623L83.6Confident84.3Confident6 Ų648 Ų483%0.03125%0.25CC..  trans-85.692.4-177.2-171.455.7000111.2L597 I600 T621 L626 C643L597-L623 HydrophobicContact CB-CD1 4.28Å; L597-L623 WeakPolarHBondContact O-CD1 3.43Å; I600-L623 HydrophobicContact CG1-CD1 4.19Å; I600-L623 HydrophobicContact CG1-CD2 4.31Å; T621-L623 PolarHBondContact O-N 2.98Å; L623-L626 HydrophobicContact CD1-CD2 4.48Å; L623-L626 HydrophobicContact CD2-CD2 3.62Å; L623-L626 HydrophobicContact CG-CD2 3.7Å; L623-L626 HydrophobicContact CG-CG 4.3Å; L623-C643 HydrophobicContact CB-CB 4.08Å; L623-C643 HydrophobicContact CD2-CB 4.28Å; L623-C643 PolarHBondContact N-O 3.01Å
624L73.8Confident84Confident126 Ų12650 Ų5066%0.6626%0.262SS*.  trans-82.4-28.9-166.2-69.1172000115.3T598 K622T598-L624 PolarHBondContact O-N 2.92Å; K622-L624 HydrophobicContact CD-CD2 4.12Å; K622-L624 HydrophobicContact CG-CD2 4.04Å; K622-L624 PolarHBondContact O-N 3.21Å
625V73Confident84Confident55 Ų5550.1 Ų50.133%0.33326%0.263SS..BIsolated β-bridgetrans-124.7114.6-174.8-176.10000111.1K599 I600K599-V625 HydrophobicContact CB-CB 4.09Å; K599-V625 HydrophobicContact CD-CB 4.16Å; K599-V625 HydrophobicContact CD-CG2 3.93Å; K599-V625 HydrophobicContact CG-CB 3.84Å; K599-V625 HydrophobicContact CG-CG2 3.87Å; I600-V625 PolarHBondContact N-O 3.44Å
626L79.3Confident84Confident19 Ų1950.8 Ų50.810%0.09927%0.269CS..  trans-122.97.1-172.9-69.4174.1000113.8I600 L623 S628 L629 L645 P649 A651I600-L626 HydrophobicContact CD1-CD2 3.4Å; I600-L626 VanDerWaalsContact CD1-CD2 3.4Å; I600-L626 HydrophobicContact CG1-CD2 3.86Å; L623-L626 HydrophobicContact CD1-CD2 4.48Å; L623-L626 HydrophobicContact CD2-CD2 3.62Å; L623-L626 HydrophobicContact CG-CD2 3.7Å; L623-L626 HydrophobicContact CG-CG 4.3Å; L626-S628 PolarHBondContact O-N 2.92Å; L626-S628 VanDerWaalsContact O-N 3.14Å; L626-L629 HydrophobicContact CB-CD1 4.3Å; L626-L629 HydrophobicContact CD2-CD1 4.14Å; L626-L629 WeakPolarHBondContact O-CB 3.29Å; L626-L629 PolarHBondContact O-N 2.85Å; L626-L629 VanDerWaalsContact O-N 3.08Å; L626-L645 HydrophobicContact CD1-CD2 4.06Å; L626-P649 HydrophobicContact CB-CB 4.42Å; L626-P649 HydrophobicContact CD1-CB 3.49Å; L626-P649 VanDerWaalsContact CD1-CB 3.49Å; L626-P649 HydrophobicContact CD1-CG 3.26Å; L626-A651 VanDerWaalsContact O-CB 3.23Å; L626-A651 WeakPolarHBondContact O-CB 3.47Å
627N79.8Confident84.2Confident108 Ų10854.3 Ų54.358%0.57829%0.285SS*.G310 helixtrans-58.9-26177.9-77.2-35000113.1L629 K630N627-L629 PolarHBondContact O-N 2.62Å; N627-K630 WeakPolarHBondContact O-CB 3.4Å; N627-K630 PolarHBondContact O-N 3.06Å; N627-K630 VanDerWaalsContact O-N 3.16Å
628S80.9Confident84.3Confident23 Ų2352.8 Ų52.816%0.16128%0.278CS..G310 helixtrans-55-36.2174.2-410000112.4I600 T605 L626 K630 K631I600-S628 PolarHBondContact O-OG 3.42Å; I600-S628 VanDerWaalsContact O-OG 3.08Å; T605-S628 WeakPolarHBondContact CG2-O 3.12Å; L626-S628 PolarHBondContact O-N 2.92Å; L626-S628 VanDerWaalsContact O-N 3.14Å; S628-K630 PolarHBondContact O-N 3.46Å; S628-K630 VanDerWaalsContact O-N 3.1Å; S628-K631 PolarHBondContact O-N 3.17Å
629L83.8Confident84.6Confident0 Ų054 Ų540%028%0.283CS..G310 helixtrans-57.3-29.2179.4-64-179.5000112.8I600 L614 L626 N627 K631 M632 L638 L640 A651 I652 L655I600-L629 HydrophobicContact CD1-CD1 4.45Å; I600-L629 HydrophobicContact CD1-CD2 3.55Å; I600-L629 HydrophobicContact CD1-CG 3.88Å; L614-L629 HydrophobicContact CD2-CD2 4.21Å; L626-L629 HydrophobicContact CB-CD1 4.3Å; L626-L629 HydrophobicContact CD2-CD1 4.14Å; L626-L629 WeakPolarHBondContact O-CB 3.29Å; L626-L629 PolarHBondContact O-N 2.85Å; L626-L629 VanDerWaalsContact O-N 3.08Å; N627-L629 PolarHBondContact O-N 2.62Å; L629-K631 PolarHBondContact O-N 3.37Å; L629-M632 HydrophobicContact CD2-SD 3.69Å; L629-M632 WeakPolarHBondContact O-CB 3.44Å; L629-M632 PolarHBondContact O-N 3.3Å; L629-L638 HydrophobicContact CD1-CD2 4.29Å; L629-L638 HydrophobicContact CD2-CD1 4.4Å; L629-L640 HydrophobicContact CD1-CD1 4.41Å; L629-A651 HydrophobicContact CB-CB 4.14Å; L629-I652 HydrophobicContact CD1-CG1 3.95Å; L629-L655 WeakPolarHBondContact O-CD2 3.33Å
630K84.4Confident85.1Confident104 Ų10450.2 Ų50.245%0.45226%0.264SS..G310 helixtrans-60.3-21.7-177-63.8-173.4178.7179.50114.1N627 S628 A651N627-K630 WeakPolarHBondContact O-CB 3.4Å; N627-K630 PolarHBondContact O-N 3.06Å; N627-K630 VanDerWaalsContact O-N 3.16Å; S628-K630 PolarHBondContact O-N 3.46Å; S628-K630 VanDerWaalsContact O-N 3.1Å; K630-A651 HydrophobicContact CG-CB 3.84Å
631K84.5Confident85.9Confident139 Ų13949.5 Ų49.560%0.60425%0.25SC*.G310 helixtrans-87.2-13.6176.1-54.9-167.6-166173.20113.7T605 S628 L629 M633T605-K631 HydrophobicContact CG2-CB 3.66Å; T605-K631 HydrophobicContact CG2-CD 3.7Å; T605-K631 HydrophobicContact CG2-CG 3.92Å; S628-K631 PolarHBondContact O-N 3.17Å; L629-K631 PolarHBondContact O-N 3.37Å; K631-M633 PolarHBondContact O-N 2.95Å
632M84.5Confident86.3Confident1 Ų150 Ų501%0.00525%0.251CS..  trans-82.944.5-170-61.9178.317200113.1I600 I604 T605 A608 L614 L629 N634 V635 L655I600-M632 HydrophobicContact CG2-CE 4.36Å; I604-M632 HydrophobicContact CB-CE 4.43Å; I604-M632 HydrophobicContact CG2-CE 3.79Å; T605-M632 HydrophobicContact CG2-CE 4.22Å; A608-M632 HydrophobicContact CB-CB 4.41Å; A608-M632 HydrophobicContact CB-CG 3.78Å; L614-M632 HydrophobicContact CD2-CE 4.1Å; L614-M632 HydrophobicContact CD2-SD 3.57Å; L614-M632 VanDerWaalsContact CD2-SD 3.57Å; L629-M632 HydrophobicContact CD2-SD 3.69Å; L629-M632 WeakPolarHBondContact O-CB 3.44Å; L629-M632 PolarHBondContact O-N 3.3Å; M632-N634 PolarHBondContact O-N 3.34Å; M632-V635 HydrophobicContact CB-CG2 3.91Å; M632-V635 PolarHBondContact O-N 2.89Å; M632-L655 HydrophobicContact CB-CD2 4.09Å; M632-L655 VanDerWaalsContact O-CD2 3.27Å; M632-L655 WeakPolarHBondContact O-CD2 3.41Å
633M83.9Confident86.6Confident111 Ų11145.9 Ų45.955%0.54723%0.233SC..THydrogen-bonded Turntrans-59.5-18.4-166.1-60.8-176-65.500115K631 N657K631-M633 PolarHBondContact O-N 2.95Å; M633-N657 WeakPolarHBondContact O-CB 3.23Å; M633-N657 PolarHBondContact O-ND2 2.7Å
634N89Confident86.9Confident80 Ų8049.8 Ų49.843%0.42825%0.251SS..THydrogen-bonded Turntrans-94.8-4.4-178.1-69.6-11.3000114.3P609 L611 M632 A636P609-N634 PolarHBondContact O-ND2 2.85Å; L611-N634 CarbonylContact O-C 3.44Å; M632-N634 PolarHBondContact O-N 3.34Å; N634-A636 PolarHBondContact O-N 2.89Å
635V92.4Very high87.7Confident2 Ų244.3 Ų44.31%0.01222%0.223CC..  trans-67.1121.8177.5174.30000110.3L611 M632 E637 L638 L658L611-V635 HydrophobicContact CB-CG2 4.15Å; L611-V635 PolarHBondContact O-N 3.14Å; M632-V635 HydrophobicContact CB-CG2 3.91Å; M632-V635 PolarHBondContact O-N 2.89Å; V635-E637 WeakPolarHBondContact CG1-O 3.22Å; V635-L638 HydrophobicContact CG1-CB 4.22Å; V635-L658 HydrophobicContact CG1-CD1 4.3Å
636A94.4Very high88.5Confident18 Ų1845.5 Ų45.515%0.14922%0.224CC..SBendtrans-96-27.517400000112T612 N634 Q659 E660T612-A636 PolarHBondContact O-N 3.31Å; N634-A636 PolarHBondContact O-N 2.89Å; A636-Q659 HydrophobicContact CB-CG 4.45Å; A636-Q659 WeakPolarHBondContact O-CA 3.44Å; A636-Q659 PolarHBondContact O-N 2.87Å; A636-E660 PolarHBondContact O-N 3.26Å
637E95.9Very high89Confident73 Ų7351.5 Ų51.534%0.34125%0.246SC..EExtended strand (participates in β ladder)trans-128.4117.1-178.8-64.3176.3-137.900110.2T612 K613 L614 V635 E660T612-E637 PolarHBondContact O-N 3Å; T612-E637 VanDerWaalsContact O-N 3.07Å; K613-E637 WeakPolarHBondContact CA-O 3.45Å; K613-E637 HydrophobicContact CB-CB 4.07Å; K613-E637 HydrophobicContact CD-CB 4.43Å; K613-E637 WeakPolarHBondContact CD-OE2 3.35Å; K613-E637 HydrophobicContact CG-CB 3.83Å; K613-E637 IonicContact NZ-OE2 3.12Å; K613-E637 PolarHBondContact NZ-OE2 3.36Å; L614-E637 PolarHBondContact N-O 2.99Å; V635-E637 WeakPolarHBondContact CG1-O 3.22Å; E637-E660 HydrophobicContact CG-CB 4.23Å
638L94.9Very high89.5Confident1 Ų146.5 Ų46.51%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-121121.8177.3-179.564.9000110.5L614 L629 V635 L640 I652 L655 L658 E660 L661 D662L614-L638 HydrophobicContact CB-CD1 4.08Å; L614-L638 HydrophobicContact CD2-CD1 4.04Å; L614-L638 HydrophobicContact CG-CD1 4.16Å; L629-L638 HydrophobicContact CD1-CD2 4.29Å; L629-L638 HydrophobicContact CD2-CD1 4.4Å; V635-L638 HydrophobicContact CG1-CB 4.22Å; L638-L640 HydrophobicContact CD1-CD2 4.05Å; L638-L640 HydrophobicContact CD1-CG 4.25Å; L638-L640 HydrophobicContact CD2-CD1 4.32Å; L638-L640 HydrophobicContact CD2-CG 4.48Å; L638-L640 HydrophobicContact CG-CG 4.19Å; L638-I652 HydrophobicContact CD2-CD1 4.13Å; L638-I652 HydrophobicContact CD2-CG1 4Å; L638-I652 HydrophobicContact CD2-CG2 4.35Å; L638-L655 HydrophobicContact CD2-CD1 3.78Å; L638-L658 HydrophobicContact CB-CD1 3.71Å; L638-E660 PolarHBondContact N-O 2.91Å; L638-L661 HydrophobicContact CB-CD1 4.26Å; L638-L661 HydrophobicContact CD2-CD1 4.15Å; L638-L661 HydrophobicContact CG-CD1 4.32Å; L638-L661 WeakPolarHBondContact O-CA 3.38Å; L638-D662 PolarHBondContact O-N 2.97Å
639E94.9Very high89.8Confident25 Ų2546.3 Ų46.312%0.11722%0.217CC..EExtended strand (participates in β ladder)trans-120.5119.5176.3-50.1-176.9-163.800110.2K613 L614 V615 I616 Q641 D662K613-E639 WeakPolarHBondContact CE-OE1 3.5Å; K613-E639 IonicContact NZ-OE1 2.59Å; K613-E639 PolarHBondContact NZ-OE1 2.88Å; L614-E639 PolarHBondContact O-N 3.03Å; V615-E639 WeakPolarHBondContact CA-O 3.48Å; V615-E639 HydrophobicContact CB-CB 4.31Å; V615-E639 HydrophobicContact CG1-CB 4.04Å; V615-E639 HydrophobicContact CG2-CB 4.07Å; V615-E639 HydrophobicContact CG2-CG 4.02Å; I616-E639 PolarHBondContact N-O 3.45Å; E639-Q641 HydrophobicContact CB-CG 4.34Å; E639-Q641 PolarHBondContact OE2-NE2 3.11Å; E639-D662 CarbonylContact C-O 3.56Å; E639-D662 WeakPolarHBondContact CA-O 3.37Å; E639-D662 HydrophobicContact CB-CB 4.15Å; E639-D662 HydrophobicContact CG-CB 3.97Å
640L92.6Very high90Very high0 Ų052.4 Ų52.40%025%0.246CC..EExtended strand (participates in β ladder)trans-123.896.4177.5-57.6178.1000109.7I616 L629 L638 L645 I652 D662 L663 N666I616-L640 HydrophobicContact CB-CD2 3.92Å; I616-L640 HydrophobicContact CD1-CD2 3.98Å; I616-L640 HydrophobicContact CG1-CD2 4.15Å; L629-L640 HydrophobicContact CD1-CD1 4.41Å; L638-L640 HydrophobicContact CD1-CD2 4.05Å; L638-L640 HydrophobicContact CD1-CG 4.25Å; L638-L640 HydrophobicContact CD2-CD1 4.32Å; L638-L640 HydrophobicContact CD2-CG 4.48Å; L638-L640 HydrophobicContact CG-CG 4.19Å; L640-L645 HydrophobicContact CB-CD1 4.29Å; L640-L645 HydrophobicContact CD1-CD1 4.25Å; L640-I652 HydrophobicContact CD1-CD1 4.21Å; L640-D662 PolarHBondContact N-O 3.3Å; L640-L663 HydrophobicContact CB-CD2 3.78Å; L640-L663 HydrophobicContact CD1-CD2 3.97Å; L640-L663 HydrophobicContact CG-CD2 4.15Å; L640-N666 PolarHBondContact O-ND2 3.49Å
641Q92.2Very high90.1Very high23 Ų2347.7 Ų47.711%0.10723%0.226CC..EExtended strand (participates in β ladder)trans-112.7138-165.4-45.7178.717.100110.9I616 H617 N618 E639 C643 K664I616-Q641 PolarHBondContact O-N 3.23Å; H617-Q641 WeakPolarHBondContact CA-O 3.2Å; H617-Q641 HydrophobicContact CB-CB 4.44Å; N618-Q641 PolarHBondContact N-O 2.95Å; E639-Q641 HydrophobicContact CB-CG 4.34Å; E639-Q641 PolarHBondContact OE2-NE2 3.11Å; Q641-C643 PolarHBondContact O-N 3.41Å; Q641-C643 PolarHBondContact O-SG 3.31Å; Q641-C643 VanDerWaalsContact O-SG 3.41Å; Q641-K664 HydrophobicContact CB-CG 4.28Å; Q641-K664 HydrophobicContact CG-CG 3.95Å
642N90.9Very high90.3Very high50 Ų5041.1 Ų41.127%0.26720%0.197SC..SBendtrans52.932.1-176.7-60.310.7000114.2H617 G620 E644 S665H617-N642 PolarHBondContact NE2-ND2 2.99Å; G620-N642 WeakPolarHBondContact CA-O 3.32Å; G620-N642 PolarHBondContact N-O 3.4Å; N642-E644 VanDerWaalsContact C-N 3.34Å; N642-E644 PolarHBondContact O-N 2.65Å; N642-S665 WeakPolarHBondContact CA-O 3.19Å; N642-S665 WeakPolarHBondContact OD1-CB 3.37Å
643C89.7Confident90.5Very high0 Ų042 Ų420%020%0.201CC..  trans-88.88-175.6-65.10000114.7N618 T621 L623 Q641 L645 N666N618-C643 HydrophobicContact CB-CB 4.29Å; N618-C643 VanDerWaalsContact CB-SG 3.56Å; T621-C643 CarbonylContact O-C 3.28Å; L623-C643 HydrophobicContact CB-CB 4.08Å; L623-C643 HydrophobicContact CD2-CB 4.28Å; L623-C643 PolarHBondContact N-O 3.01Å; Q641-C643 PolarHBondContact O-N 3.41Å; Q641-C643 PolarHBondContact O-SG 3.31Å; Q641-C643 VanDerWaalsContact O-SG 3.41Å; C643-L645 HydrophobicContact CB-CD1 4.1Å; C643-L645 HydrophobicContact CB-CD2 4.28Å; C643-L645 HydrophobicContact CB-CG 3.76Å; C643-L645 PolarHBondContact O-N 3.05Å; C643-L645 VanDerWaalsContact O-N 3.13Å; C643-N666 WeakPolarHBondContact CA-OD1 3.4Å; C643-N666 WeakPolarHBondContact CB-OD1 3.46Å; C643-N666 PolarHBondContact N-OD1 3.23Å
644E90.8Very high90.6Very high87 Ų8739.2 Ų39.241%0.40719%0.193SC..  trans48.629.5-171.2-54.6-155111.200115.4K622 N642 E646 N666K622-E644 HydrophobicContact CB-CB 4.15Å; K622-E644 HydrophobicContact CG-CB 4.16Å; N642-E644 VanDerWaalsContact C-N 3.34Å; N642-E644 PolarHBondContact O-N 2.65Å; E644-E646 PolarHBondContact O-N 3.5Å; E644-N666 PolarHBondContact N-OD1 3.32Å
645L90Very high90.7Very high12 Ų1235.4 Ų35.46%0.06317%0.172CC..  trans-66.8127.2-178.3-59174.5000110.6L626 L640 C643 P649 L663 N666 S667 I668L626-L645 HydrophobicContact CD1-CD2 4.06Å; L640-L645 HydrophobicContact CB-CD1 4.29Å; L640-L645 HydrophobicContact CD1-CD1 4.25Å; C643-L645 HydrophobicContact CB-CD1 4.1Å; C643-L645 HydrophobicContact CB-CD2 4.28Å; C643-L645 HydrophobicContact CB-CG 3.76Å; C643-L645 PolarHBondContact O-N 3.05Å; C643-L645 VanDerWaalsContact O-N 3.13Å; L645-P649 HydrophobicContact CD1-CG 4.11Å; L645-P649 HydrophobicContact CD2-CG 4.23Å; L645-L663 HydrophobicContact CD1-CD2 4.33Å; L645-N666 HydrophobicContact CB-CB 4.15Å; L645-N666 PolarHBondContact N-OD1 3.19Å; L645-N666 VanDerWaalsContact N-OD1 3.07Å; L645-S667 CarbonylContact O-C 3.54Å; L645-S667 WeakPolarHBondContact O-CA 3.47Å; L645-S667 PolarHBondContact O-N 3.2Å; L645-I668 HydrophobicContact CB-CG1 4.34Å; L645-I668 WeakPolarHBondContact O-CG1 3.26Å; L645-I668 PolarHBondContact O-N 2.86Å
646E90.1Very high90.4Very high79 Ų7938.4 Ų38.437%0.36919%0.193SC..SBendtrans-90.1-18.5177.6-66.5-175.4-113.500113.4K622 E644 I668 R669K622-E646 IonicContact NZ-OE1 3.49Å; K622-E646 PolarHBondContact NZ-OE1 2.87Å; E644-E646 PolarHBondContact O-N 3.5Å; E646-I668 WeakPolarHBondContact O-CA 3.31Å; E646-R669 PolarHBondContact O-N 3.46Å; E646-R669 IonicContact OE2-NH2 3.82Å
647R89.6Confident90.3Very high146 Ų14639.4 Ų39.455%0.55120%0.196SC*.SBendtrans-151.4163.7-175.1-71.9-178.2175.6-139.71.5109.9P649 E673R647-P649 WeakPolarHBondContact O-CD 3.35Å; R647-E673 WeakPolarHBondContact CD-OE1 3.49Å; R647-E673 IonicContact NH1-OE1 2.66Å
648I89.8Confident90.1Very high3 Ų335.9 Ų35.92%0.01518%0.18CC..  trans-77.2121.3178.2-57-172.8000110.4H650 I652 F653 L663 I668 I671 E673 F677 L688I648-H650 PolarHBondContact O-N 3.49Å; I648-I652 HydrophobicContact CG2-CD1 4.43Å; I648-F653 HydrophobicContact CB-CZ 4.36Å; I648-F653 HydrophobicContact CG2-CE1 3.97Å; I648-F653 HydrophobicContact CG2-CZ 3.67Å; I648-L663 HydrophobicContact CB-CD1 4.49Å; I648-L663 HydrophobicContact CD1-CD1 4.3Å; I648-L663 HydrophobicContact CG1-CD1 4Å; I648-L663 HydrophobicContact CG2-CD1 4.07Å; I648-I668 HydrophobicContact CG1-CD1 4.37Å; I648-I668 HydrophobicContact CG1-CG2 4.48Å; I648-I671 HydrophobicContact CD1-CB 4.21Å; I648-I671 HydrophobicContact CD1-CG2 3.8Å; I648-I671 HydrophobicContact CG1-CG2 4.31Å; I648-E673 HydrophobicContact CB-CB 4.4Å; I648-F677 HydrophobicContact CD1-CE2 4.03Å; I648-F677 HydrophobicContact CD1-CZ 3.82Å; I648-F677 HydrophobicContact CG2-CE2 4.24Å; I648-F677 HydrophobicContact CG2-CZ 4.41Å; I648-L688 HydrophobicContact CD1-CD2 4.3Å
649P88.4Confident90.1Very high19 Ų1940.4 Ų40.412%0.12320%0.201CC..  trans-65.6123.9-175.9-22.732.9000114.2L626 L645 R647 A651 I652L626-P649 HydrophobicContact CB-CB 4.42Å; L626-P649 HydrophobicContact CD1-CB 3.49Å; L626-P649 VanDerWaalsContact CD1-CB 3.49Å; L626-P649 HydrophobicContact CD1-CG 3.26Å; L645-P649 HydrophobicContact CD1-CG 4.11Å; L645-P649 HydrophobicContact CD2-CG 4.23Å; R647-P649 WeakPolarHBondContact O-CD 3.35Å; P649-A651 PolarHBondContact O-N 3.05Å; P649-I652 HydrophobicContact CB-CD1 4.29Å; P649-I652 HydrophobicContact CB-CG1 4.33Å; P649-I652 HydrophobicContact CG-CD1 4.19Å; P649-I652 WeakPolarHBondContact O-CB 3.41Å; P649-I652 WeakPolarHBondContact O-CG1 3.4Å; P649-I652 PolarHBondContact O-N 3.09Å
650H86.3Confident90.2Very high128 Ų12841 Ų4159%0.59320%0.203SC*.G310 helixtrans-56.8-21-179.3-60.5-65.1000115.4I648 I652 F653I648-H650 PolarHBondContact O-N 3.49Å; H650-I652 PolarHBondContact O-N 3.18Å; H650-F653 HydrophobicContact CB-CD2 4.3Å; H650-F653 HydrophobicContact CB-CE2 4.41Å; H650-F653 AromaticContact ND1-CE2 3.78Å; H650-F653 WeakPolarHBondContact O-CD2 3.26Å; H650-F653 PolarHBondContact O-N 2.96Å
651A87.3Confident90.3Very high5 Ų541 Ų414%0.04120%0.203CC..G310 helixtrans-66.2-24.4176.200000113.5L626 L629 K630 P649 F653 S654L626-A651 VanDerWaalsContact O-CB 3.23Å; L626-A651 WeakPolarHBondContact O-CB 3.47Å; L629-A651 HydrophobicContact CB-CB 4.14Å; K630-A651 HydrophobicContact CG-CB 3.84Å; P649-A651 PolarHBondContact O-N 3.05Å; A651-F653 VanDerWaalsContact C-N 3.25Å; A651-F653 PolarHBondContact O-N 3Å; A651-S654 PolarHBondContact O-N 3.48Å
652I89.1Confident90.5Very high0 Ų040 Ų400%020%0.199CC..G310 helixtrans-65.6-31.1177.9-61.2178.3000110.6L629 L638 L640 I648 P649 H650 S654 L655 L658 L661 L663L629-I652 HydrophobicContact CD1-CG1 3.95Å; L638-I652 HydrophobicContact CD2-CD1 4.13Å; L638-I652 HydrophobicContact CD2-CG1 4Å; L638-I652 HydrophobicContact CD2-CG2 4.35Å; L640-I652 HydrophobicContact CD1-CD1 4.21Å; I648-I652 HydrophobicContact CG2-CD1 4.43Å; P649-I652 HydrophobicContact CB-CD1 4.29Å; P649-I652 HydrophobicContact CB-CG1 4.33Å; P649-I652 HydrophobicContact CG-CD1 4.19Å; P649-I652 WeakPolarHBondContact O-CB 3.41Å; P649-I652 WeakPolarHBondContact O-CG1 3.4Å; P649-I652 PolarHBondContact O-N 3.09Å; H650-I652 PolarHBondContact O-N 3.18Å; I652-S654 PolarHBondContact O-N 3.29Å; I652-S654 VanDerWaalsContact O-N 3.1Å; I652-L655 HydrophobicContact CG2-CD1 4.28Å; I652-L655 VanDerWaalsContact O-CB 3.25Å; I652-L655 WeakPolarHBondContact O-CB 3.46Å; I652-L655 WeakPolarHBondContact O-CG 3.25Å; I652-L655 PolarHBondContact O-N 3.36Å; I652-L658 HydrophobicContact CG2-CD2 3.83Å; I652-L661 HydrophobicContact CD1-CD1 4.18Å; I652-L661 HydrophobicContact CG2-CD1 4.21Å; I652-L661 HydrophobicContact CG2-CD2 4.03Å; I652-L663 HydrophobicContact CD1-CD2 4.26Å
653F87.5Confident90.6Very high19 Ų1937.6 Ų37.68%0.08319%0.186CC..G310 helixtrans-71.6-5.4-178-47-42.4000114.3I648 H650 A651 L655 E673 F677 L680I648-F653 HydrophobicContact CB-CZ 4.36Å; I648-F653 HydrophobicContact CG2-CE1 3.97Å; I648-F653 HydrophobicContact CG2-CZ 3.67Å; H650-F653 HydrophobicContact CB-CD2 4.3Å; H650-F653 HydrophobicContact CB-CE2 4.41Å; H650-F653 AromaticContact ND1-CE2 3.78Å; H650-F653 WeakPolarHBondContact O-CD2 3.26Å; H650-F653 PolarHBondContact O-N 2.96Å; A651-F653 VanDerWaalsContact C-N 3.25Å; A651-F653 PolarHBondContact O-N 3Å; F653-L655 VanDerWaalsContact C-N 3.35Å; F653-E673 HydrophobicContact CE2-CB 3.98Å; F653-E673 HydrophobicContact CZ-CB 3.86Å; F653-F677 AromaticContact CD1-CD2 3.99Å; F653-F677 HydrophobicContact CD1-CD2 3.99Å; F653-F677 HydrophobicContact CD1-CE2 4.3Å; F653-F677 AromaticContact CE1-CD2 3.33Å; F653-F677 HydrophobicContact CE1-CD2 3.33Å; F653-F677 AromaticContact CE1-CE2 3.28Å; F653-F677 HydrophobicContact CE1-CE2 3.28Å; F653-F677 HydrophobicContact CE1-CG 4.35Å; F653-F677 HydrophobicContact CE1-CZ 4.19Å; F653-F677 AromaticContact CZ-CD2 3.98Å; F653-F677 HydrophobicContact CZ-CD2 3.98Å; F653-F677 AromaticContact CZ-CE2 3.77Å; F653-F677 HydrophobicContact CZ-CE2 3.77Å; F653-L680 HydrophobicContact CD1-CD1 4Å; F653-L680 HydrophobicContact CD1-CG 4.38Å; F653-L680 HydrophobicContact CE1-CD1 4.46Å
654S87.8Confident90.8Very high53 Ų5339.7 Ų39.737%0.37120%0.195SC..G310 helixtrans-81.3-12167.9-56.30000113.3A651 I652 S656A651-S654 PolarHBondContact O-N 3.48Å; I652-S654 PolarHBondContact O-N 3.29Å; I652-S654 VanDerWaalsContact O-N 3.1Å; S654-S656 PolarHBondContact O-N 3.23Å
655L89.3Confident90.9Very high1 Ų137.7 Ų37.71%0.00519%0.191CC..  trans-83.872.8-176.2-56.2177.9000111.6L629 M632 L638 I652 F653 N657 L658 L680L629-L655 WeakPolarHBondContact O-CD2 3.33Å; M632-L655 HydrophobicContact CB-CD2 4.09Å; M632-L655 VanDerWaalsContact O-CD2 3.27Å; M632-L655 WeakPolarHBondContact O-CD2 3.41Å; L638-L655 HydrophobicContact CD2-CD1 3.78Å; I652-L655 HydrophobicContact CG2-CD1 4.28Å; I652-L655 VanDerWaalsContact O-CB 3.25Å; I652-L655 WeakPolarHBondContact O-CB 3.46Å; I652-L655 WeakPolarHBondContact O-CG 3.25Å; I652-L655 PolarHBondContact O-N 3.36Å; F653-L655 VanDerWaalsContact C-N 3.35Å; L655-N657 PolarHBondContact O-N 3.45Å; L655-L658 HydrophobicContact CB-CB 4.02Å; L655-L658 HydrophobicContact CB-CD2 4.49Å; L655-L658 HydrophobicContact CD1-CD1 4.34Å; L655-L658 HydrophobicContact CD1-CD2 4.44Å; L655-L658 VanDerWaalsContact O-CB 3.27Å; L655-L658 WeakPolarHBondContact O-CB 3.39Å; L655-L658 PolarHBondContact O-N 3.17Å; L655-L680 HydrophobicContact CB-CD2 4.49Å; L655-L680 WeakPolarHBondContact O-CD2 3.41Å
656S87.8Confident91Very high64 Ų6437.6 Ų37.645%0.44819%0.19SC..THydrogen-bonded Turntrans-59.7-19.2-176600000115.3S654S654-S656 PolarHBondContact O-N 3.23Å
657N90.9Very high91.2Very high39 Ų3935 Ų3521%0.20918%0.181CC..THydrogen-bonded Turntrans-92.7-3.7177.4-73.9-47.7000115M633 L655 Q659 R682M633-N657 WeakPolarHBondContact O-CB 3.23Å; M633-N657 PolarHBondContact O-ND2 2.7Å; L655-N657 PolarHBondContact O-N 3.45Å; N657-Q659 PolarHBondContact O-N 3.49Å; N657-R682 PolarHBondContact OD1-NH1 3.46Å
658L93.3Very high91.4Very high0 Ų028.1 Ų28.10%016%0.155CC..  trans-62.8128.5-174.4-162.569000111.7V635 L638 I652 L655 E660 L661 L680 R682 L683V635-L658 HydrophobicContact CG1-CD1 4.3Å; L638-L658 HydrophobicContact CB-CD1 3.71Å; I652-L658 HydrophobicContact CG2-CD2 3.83Å; L655-L658 HydrophobicContact CB-CB 4.02Å; L655-L658 HydrophobicContact CB-CD2 4.49Å; L655-L658 HydrophobicContact CD1-CD1 4.34Å; L655-L658 HydrophobicContact CD1-CD2 4.44Å; L655-L658 VanDerWaalsContact O-CB 3.27Å; L655-L658 WeakPolarHBondContact O-CB 3.39Å; L655-L658 PolarHBondContact O-N 3.17Å; L658-E660 WeakPolarHBondContact CD1-O 3.28Å; L658-L661 HydrophobicContact CD2-CB 4.03Å; L658-L661 HydrophobicContact CD2-CD1 4.32Å; L658-L661 HydrophobicContact CD2-CD2 4.41Å; L658-L661 HydrophobicContact CD2-CG 4.48Å; L658-L680 HydrophobicContact CB-CD2 4.29Å; L658-L680 HydrophobicContact CD2-CD1 4.26Å; L658-L680 HydrophobicContact CD2-CD2 4.42Å; L658-R682 CarbonylContact O-C 3.2Å; L658-R682 WeakPolarHBondContact O-CB 3.49Å; L658-L683 HydrophobicContact CD2-CD1 4.29Å; L658-L683 HydrophobicContact CG-CD1 4.24Å; L658-L683 WeakPolarHBondContact O-CA 3.39Å; L658-L683 PolarHBondContact O-N 3.26Å; L658-L683 VanDerWaalsContact O-N 3.08Å
659Q94.8Very high91.4Very high95 Ų9535 Ų3544%0.44418%0.181SC..  trans-112.5-43.7179.8-66.1177.358.600111A636 N657 R682 L683 T684 C685A636-Q659 HydrophobicContact CB-CG 4.45Å; A636-Q659 WeakPolarHBondContact O-CA 3.44Å; A636-Q659 PolarHBondContact O-N 2.87Å; N657-Q659 PolarHBondContact O-N 3.49Å; Q659-R682 HydrophobicContact CG-CB 4.35Å; Q659-L683 WeakPolarHBondContact O-CD1 3.32Å; Q659-T684 PolarHBondContact O-N 3.47Å; Q659-T684 PolarHBondContact O-OG1 3Å; Q659-C685 PolarHBondContact O-N 2.99Å
660E96.1Very high91.5Very high37 Ų3736 Ų3617%0.17319%0.187CC..EExtended strand (participates in β ladder)trans-119.3135.7172.6-176164.8116.500111.9A636 E637 L638 L658 C685 K687A636-E660 PolarHBondContact O-N 3.26Å; E637-E660 HydrophobicContact CG-CB 4.23Å; L638-E660 PolarHBondContact N-O 2.91Å; L658-E660 WeakPolarHBondContact CD1-O 3.28Å; E660-C685 WeakPolarHBondContact CA-O 3.34Å; E660-C685 HydrophobicContact CB-CB 4.04Å; E660-C685 HydrophobicContact CG-CB 3.82Å; E660-C685 WeakPolarHBondContact OE2-CB 3.38Å; E660-C685 PolarHBondContact OE2-SG 3.23Å; E660-K687 IonicContact OE1-NZ 2.67Å; E660-K687 PolarHBondContact OE1-NZ 3.29Å; E660-K687 IonicContact OE2-NZ 2.67Å; E660-K687 PolarHBondContact OE2-NZ 2.83Å
661L95.3Very high91.5Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-127.2117.9172.1177.957.9000109.9L638 I652 L658 L663 F677 L683 C685 L686 K687L638-L661 HydrophobicContact CB-CD1 4.26Å; L638-L661 HydrophobicContact CD2-CD1 4.15Å; L638-L661 HydrophobicContact CG-CD1 4.32Å; L638-L661 WeakPolarHBondContact O-CA 3.38Å; I652-L661 HydrophobicContact CD1-CD1 4.18Å; I652-L661 HydrophobicContact CG2-CD1 4.21Å; I652-L661 HydrophobicContact CG2-CD2 4.03Å; L658-L661 HydrophobicContact CD2-CB 4.03Å; L658-L661 HydrophobicContact CD2-CD1 4.32Å; L658-L661 HydrophobicContact CD2-CD2 4.41Å; L658-L661 HydrophobicContact CD2-CG 4.48Å; L661-L663 HydrophobicContact CD1-CD1 4.47Å; L661-L663 HydrophobicContact CD1-CD2 3.88Å; L661-L663 HydrophobicContact CD1-CG 3.99Å; L661-L663 HydrophobicContact CD2-CD1 4.34Å; L661-L663 HydrophobicContact CG-CD1 4.42Å; L661-L663 HydrophobicContact CG-CG 4.13Å; L661-F677 HydrophobicContact CD2-CE1 4.23Å; L661-F677 HydrophobicContact CD2-CZ 4.17Å; L661-L683 HydrophobicContact CB-CD1 3.97Å; L661-C685 PolarHBondContact N-O 3.42Å; L661-L686 HydrophobicContact CB-CD1 4.08Å; L661-L686 HydrophobicContact CD2-CD1 3.97Å; L661-L686 HydrophobicContact CG-CD1 4.11Å; L661-K687 PolarHBondContact O-N 3.25Å
662D95.8Very high91.3Very high2 Ų235.5 Ų35.51%0.01118%0.184CC..EExtended strand (participates in β ladder)trans-113.8117.6172.4-172.94.9000111.3L638 E639 L640 K664 K687L638-D662 PolarHBondContact O-N 2.97Å; E639-D662 CarbonylContact C-O 3.56Å; E639-D662 WeakPolarHBondContact CA-O 3.37Å; E639-D662 HydrophobicContact CB-CB 4.15Å; E639-D662 HydrophobicContact CG-CB 3.97Å; L640-D662 PolarHBondContact N-O 3.3Å; D662-K664 WeakPolarHBondContact OD1-CB 3.35Å; D662-K664 WeakPolarHBondContact OD1-CG 3.36Å; D662-K664 PolarHBondContact OD1-N 3.23Å; D662-K664 IonicContact OD2-NZ 3.69Å; D662-K664 PolarHBondContact OD2-NZ 3.07Å; D662-K687 HydrophobicContact CB-CB 3.97Å; D662-K687 HydrophobicContact CB-CD 4.08Å; D662-K687 WeakPolarHBondContact OD1-CB 3.4Å
663L94.1Very high91Very high0 Ų036.1 Ų36.10%019%0.187CC..  trans-119.234.5174-54.7176.6000111L640 L645 I648 I652 L661 N666 I668 K687 L688 N691L640-L663 HydrophobicContact CB-CD2 3.78Å; L640-L663 HydrophobicContact CD1-CD2 3.97Å; L640-L663 HydrophobicContact CG-CD2 4.15Å; L645-L663 HydrophobicContact CD1-CD2 4.33Å; I648-L663 HydrophobicContact CB-CD1 4.49Å; I648-L663 HydrophobicContact CD1-CD1 4.3Å; I648-L663 HydrophobicContact CG1-CD1 4Å; I648-L663 HydrophobicContact CG2-CD1 4.07Å; I652-L663 HydrophobicContact CD1-CD2 4.26Å; L661-L663 HydrophobicContact CD1-CD1 4.47Å; L661-L663 HydrophobicContact CD1-CD2 3.88Å; L661-L663 HydrophobicContact CD1-CG 3.99Å; L661-L663 HydrophobicContact CD2-CD1 4.34Å; L661-L663 HydrophobicContact CG-CD1 4.42Å; L661-L663 HydrophobicContact CG-CG 4.13Å; L663-N666 VanDerWaalsContact C-ND2 3.31Å; L663-N666 PolarHBondContact O-ND2 3.09Å; L663-I668 HydrophobicContact CB-CD1 3.84Å; L663-I668 HydrophobicContact CD1-CD1 3.92Å; L663-K687 PolarHBondContact N-O 2.82Å; L663-L688 HydrophobicContact CB-CD2 4.11Å; L663-L688 HydrophobicContact CD1-CD2 4.16Å; L663-N691 PolarHBondContact O-ND2 2.93Å
664K93Very high90.5Very high44 Ų4435.3 Ų35.319%0.19118%0.183CC..THydrogen-bonded Turntrans-58151.7-179.666174.5175.9-86.70114.7Q641 D662 N666 W689Q641-K664 HydrophobicContact CB-CG 4.28Å; Q641-K664 HydrophobicContact CG-CG 3.95Å; D662-K664 WeakPolarHBondContact OD1-CB 3.35Å; D662-K664 WeakPolarHBondContact OD1-CG 3.36Å; D662-K664 PolarHBondContact OD1-N 3.23Å; D662-K664 IonicContact OD2-NZ 3.69Å; D662-K664 PolarHBondContact OD2-NZ 3.07Å; K664-N666 VanDerWaalsContact C-N 3.28Å; K664-N666 PolarHBondContact O-N 3.48Å; K664-N666 PolarHBondContact O-ND2 3.44Å; K664-N666 VanDerWaalsContact O-ND2 3.14Å; K664-W689 WeakPolarHBondContact CA-O 3.48Å; K664-W689 HydrophobicContact CB-CG 4.43Å; K664-W689 HydrophobicContact CD-CZ2 4.27Å
665S92.3Very high90.1Very high46 Ų4637 Ų3732%0.32219%0.187SC..THydrogen-bonded Turntrans58.440171-55.40000113N642 W689 H690N642-S665 WeakPolarHBondContact CA-O 3.19Å; N642-S665 WeakPolarHBondContact OD1-CB 3.37Å; S665-W689 PolarHBondContact N-O 3.06Å; S665-H690 WeakPolarHBondContact CA-O 3.35Å; S665-H690 PolarHBondContact N-O 3.37Å
666N93.4Very high89.9Confident9 Ų938.6 Ų38.65%0.04820%0.199CC..SBendtrans-107.6-169.7173.7-77.7-74.3000110.2L640 C643 E644 L645 L663 K664 I668 H690 N691L640-N666 PolarHBondContact O-ND2 3.49Å; C643-N666 WeakPolarHBondContact CA-OD1 3.4Å; C643-N666 WeakPolarHBondContact CB-OD1 3.46Å; C643-N666 PolarHBondContact N-OD1 3.23Å; E644-N666 PolarHBondContact N-OD1 3.32Å; L645-N666 HydrophobicContact CB-CB 4.15Å; L645-N666 PolarHBondContact N-OD1 3.19Å; L645-N666 VanDerWaalsContact N-OD1 3.07Å; L663-N666 VanDerWaalsContact C-ND2 3.31Å; L663-N666 PolarHBondContact O-ND2 3.09Å; K664-N666 VanDerWaalsContact C-N 3.28Å; K664-N666 PolarHBondContact O-N 3.48Å; K664-N666 PolarHBondContact O-ND2 3.44Å; K664-N666 VanDerWaalsContact O-ND2 3.14Å; N666-I668 HydrophobicContact CB-CD1 4.25Å; N666-I668 HydrophobicContact CB-CG1 4Å; N666-H690 PolarHBondContact N-O 3.3Å; N666-N691 WeakPolarHBondContact CA-OD1 3.42Å; N666-N691 VanDerWaalsContact CB-OD1 3.24Å; N666-N691 WeakPolarHBondContact CB-OD1 3.39Å; N666-N691 PolarHBondContact O-OD1 3.43Å
667S92.8Very high89.6Confident26 Ų2635.6 Ų35.618%0.18218%0.178CC..  trans-110.828.2176.8-75.90000112.5L645 R669 K692L645-S667 CarbonylContact O-C 3.54Å; L645-S667 WeakPolarHBondContact O-CA 3.47Å; L645-S667 PolarHBondContact O-N 3.2Å; S667-R669 WeakPolarHBondContact O-CG 3.41Å; S667-R669 PolarHBondContact O-N 2.95Å; S667-K692 PolarHBondContact OG-NZ 3.42Å
668I93.6Very high89.1Confident0 Ų038.3 Ų38.30%019%0.189CC..  trans-65.1119.6-172.9-58.6172.5000109.3L645 E646 I648 L663 N666 T670 I671 L688 N691 K692 I693L645-I668 HydrophobicContact CB-CG1 4.34Å; L645-I668 WeakPolarHBondContact O-CG1 3.26Å; L645-I668 PolarHBondContact O-N 2.86Å; E646-I668 WeakPolarHBondContact O-CA 3.31Å; I648-I668 HydrophobicContact CG1-CD1 4.37Å; I648-I668 HydrophobicContact CG1-CG2 4.48Å; L663-I668 HydrophobicContact CB-CD1 3.84Å; L663-I668 HydrophobicContact CD1-CD1 3.92Å; N666-I668 HydrophobicContact CB-CD1 4.25Å; N666-I668 HydrophobicContact CB-CG1 4Å; I668-T670 VanDerWaalsContact CG2-O 3.25Å; I668-T670 WeakPolarHBondContact CG2-O 3.37Å; I668-I671 HydrophobicContact CG2-CG2 3.97Å; I668-L688 HydrophobicContact CD1-CD2 4.34Å; I668-N691 HydrophobicContact CB-CB 4.36Å; I668-N691 VanDerWaalsContact CB-OD1 3.26Å; I668-N691 WeakPolarHBondContact CB-OD1 3.43Å; I668-N691 WeakPolarHBondContact CG1-OD1 3.41Å; I668-N691 PolarHBondContact N-OD1 2.74Å; I668-K692 CarbonylContact O-C 3.38Å; I668-K692 VanDerWaalsContact O-CA 3.29Å; I668-K692 WeakPolarHBondContact O-CA 3.37Å; I668-K692 PolarHBondContact O-N 3.1Å; I668-I693 HydrophobicContact CG2-CD1 4.5Å; I668-I693 HydrophobicContact CG2-CG1 4.2Å; I668-I693 WeakPolarHBondContact O-CG1 3.39Å; I668-I693 PolarHBondContact O-N 3.47Å; I668-I693 VanDerWaalsContact O-N 3.14Å
669R91.8Very high88.7Confident147 Ų14743 Ų4356%0.55521%0.211SC*.  trans-98-30.2-178.5-51.8-170.9-162.2-167.47.8113.5E646 S667 K692 I693 V694E646-R669 PolarHBondContact O-N 3.46Å; E646-R669 IonicContact OE2-NH2 3.82Å; S667-R669 WeakPolarHBondContact O-CG 3.41Å; S667-R669 PolarHBondContact O-N 2.95Å; R669-K692 HydrophobicContact CG-CB 4.34Å; R669-I693 WeakPolarHBondContact O-CA 3.24Å; R669-V694 PolarHBondContact O-N 3.23Å
670T88.6Confident88.3Confident41 Ų4138.8 Ų38.825%0.25219%0.191SC..  trans-137.7149.5-173.150.70000109.5I668I668-T670 VanDerWaalsContact CG2-O 3.25Å; I668-T670 WeakPolarHBondContact CG2-O 3.37Å
671I88.1Confident87.8Confident4 Ų444.6 Ų44.62%0.02122%0.216CC..  trans-128.736.2175.559.6173.1000110.7I648 I668 E673 I674 L688 I693 I696 P697I648-I671 HydrophobicContact CD1-CB 4.21Å; I648-I671 HydrophobicContact CD1-CG2 3.8Å; I648-I671 HydrophobicContact CG1-CG2 4.31Å; I668-I671 HydrophobicContact CG2-CG2 3.97Å; I671-E673 PolarHBondContact O-N 3.38Å; I671-I674 HydrophobicContact CD1-CD1 4.36Å; I671-I674 VanDerWaalsContact O-CB 3.27Å; I671-I674 WeakPolarHBondContact O-CB 3.47Å; I671-I674 WeakPolarHBondContact O-CG2 3.39Å; I671-I674 PolarHBondContact O-N 3.12Å; I671-L688 HydrophobicContact CD1-CD1 4.46Å; I671-L688 HydrophobicContact CG2-CD1 4.37Å; I671-I693 HydrophobicContact CD1-CG2 4.41Å; I671-I693 HydrophobicContact CG1-CG2 4.38Å; I671-I693 HydrophobicContact CG2-CD1 3.83Å; I671-I693 HydrophobicContact CG2-CG1 4.24Å; I671-I696 HydrophobicContact CD1-CG2 4.46Å; I671-P697 HydrophobicContact CG1-CG 4.35Å
672E82.6Confident87.6Confident118 Ų11851.6 Ų51.655%0.55124%0.242SC*.G310 helixtrans-62.5-26.2178-65.8178.3168.300111.8I674 I675E672-I674 PolarHBondContact O-N 2.77Å; E672-I675 PolarHBondContact O-N 2.7Å
673E81.4Confident87.4Confident14 Ų1451.5 Ų51.57%0.06524%0.242CC..G310 helixtrans-61-7.2172.8-56.682.8179.800113.2R647 I648 F653 I671 I675 S676R647-E673 WeakPolarHBondContact CD-OE1 3.49Å; R647-E673 IonicContact NH1-OE1 2.66Å; I648-E673 HydrophobicContact CB-CB 4.4Å; F653-E673 HydrophobicContact CE2-CB 3.98Å; F653-E673 HydrophobicContact CZ-CB 3.86Å; I671-E673 PolarHBondContact O-N 3.38Å; E673-I675 PolarHBondContact O-N 3.21Å; E673-I675 VanDerWaalsContact O-N 3.14Å; E673-S676 WeakPolarHBondContact O-CB 3.34Å; E673-S676 PolarHBondContact O-N 3.15Å
674I78.6Confident87.5Confident1 Ų153.9 Ų53.91%0.00526%0.256CS..G310 helixtrans-63.6-15.7176.9-144.2154.5000113.9I671 E672 S676 F677 L686 P697 I700I671-I674 HydrophobicContact CD1-CD1 4.36Å; I671-I674 VanDerWaalsContact O-CB 3.27Å; I671-I674 WeakPolarHBondContact O-CB 3.47Å; I671-I674 WeakPolarHBondContact O-CG2 3.39Å; I671-I674 PolarHBondContact O-N 3.12Å; E672-I674 PolarHBondContact O-N 2.77Å; I674-S676 PolarHBondContact O-N 2.94Å; I674-F677 VanDerWaalsContact CA-CD2 3.49Å; I674-F677 HydrophobicContact CB-CD2 4.18Å; I674-F677 HydrophobicContact CB-CE2 4.34Å; I674-F677 HydrophobicContact CG1-CB 4.15Å; I674-F677 HydrophobicContact CG1-CD1 4.06Å; I674-F677 HydrophobicContact CG1-CD2 3.77Å; I674-F677 HydrophobicContact CG1-CE1 4.32Å; I674-F677 HydrophobicContact CG1-CE2 3.98Å; I674-F677 HydrophobicContact CG1-CG 3.76Å; I674-F677 HydrophobicContact CG1-CZ 4.27Å; I674-F677 WeakPolarHBondContact O-CB 3.46Å; I674-F677 PolarHBondContact O-N 3.12Å; I674-F677 VanDerWaalsContact O-N 3.07Å; I674-L686 HydrophobicContact CD1-CD2 4.41Å; I674-P697 HydrophobicContact CG2-CG 3.56Å; I674-I700 HydrophobicContact CD1-CD1 3.44Å; I674-I700 VanDerWaalsContact CD1-CD1 3.44Å; I674-I700 HydrophobicContact CG1-CD1 4.43Å
675I78.8Confident87.7Confident89 Ų8952.3 Ų52.346%0.45625%0.251SS..G310 helixtrans-54.7-40.9166.1-61.8167.4000110.4E672 E673 F677 Q678 S699E672-I675 PolarHBondContact O-N 2.7Å; E673-I675 PolarHBondContact O-N 3.21Å; E673-I675 VanDerWaalsContact O-N 3.14Å; I675-F677 VanDerWaalsContact C-N 3.26Å; I675-F677 PolarHBondContact O-N 3.06Å; I675-Q678 WeakPolarHBondContact O-CG 3.41Å; I675-Q678 PolarHBondContact O-N 3.01Å; I675-S699 WeakPolarHBondContact CG1-OG 3.25Å
676S84.1Confident87.8Confident34 Ų3450.1 Ų50.124%0.23824%0.235CC..G310 helixtrans-73.8-11.1178.9-57.40000114E673 I674 Q678 H679E673-S676 WeakPolarHBondContact O-CB 3.34Å; E673-S676 PolarHBondContact O-N 3.15Å; I674-S676 PolarHBondContact O-N 2.94Å; S676-Q678 PolarHBondContact O-N 3Å; S676-Q678 VanDerWaalsContact O-N 3.15Å; S676-H679 PolarHBondContact O-CD2 2.94Å; S676-H679 PolarHBondContact O-N 3.25Å
677F81.8Confident87.9Confident2 Ų251.5 Ų51.51%0.00924%0.241CC..G310 helixtrans-68.9-9.1174.6-75.2-132.8000112.5I648 F653 L661 I674 I675 H679 L680 L683 L686 V703I648-F677 HydrophobicContact CD1-CE2 4.03Å; I648-F677 HydrophobicContact CD1-CZ 3.82Å; I648-F677 HydrophobicContact CG2-CE2 4.24Å; I648-F677 HydrophobicContact CG2-CZ 4.41Å; F653-F677 AromaticContact CD1-CD2 3.99Å; F653-F677 HydrophobicContact CD1-CD2 3.99Å; F653-F677 HydrophobicContact CD1-CE2 4.3Å; F653-F677 AromaticContact CE1-CD2 3.33Å; F653-F677 HydrophobicContact CE1-CD2 3.33Å; F653-F677 AromaticContact CE1-CE2 3.28Å; F653-F677 HydrophobicContact CE1-CE2 3.28Å; F653-F677 HydrophobicContact CE1-CG 4.35Å; F653-F677 HydrophobicContact CE1-CZ 4.19Å; F653-F677 AromaticContact CZ-CD2 3.98Å; F653-F677 HydrophobicContact CZ-CD2 3.98Å; F653-F677 AromaticContact CZ-CE2 3.77Å; F653-F677 HydrophobicContact CZ-CE2 3.77Å; L661-F677 HydrophobicContact CD2-CE1 4.23Å; L661-F677 HydrophobicContact CD2-CZ 4.17Å; I674-F677 VanDerWaalsContact CA-CD2 3.49Å; I674-F677 HydrophobicContact CB-CD2 4.18Å; I674-F677 HydrophobicContact CB-CE2 4.34Å; I674-F677 HydrophobicContact CG1-CB 4.15Å; I674-F677 HydrophobicContact CG1-CD1 4.06Å; I674-F677 HydrophobicContact CG1-CD2 3.77Å; I674-F677 HydrophobicContact CG1-CE1 4.32Å; I674-F677 HydrophobicContact CG1-CE2 3.98Å; I674-F677 HydrophobicContact CG1-CG 3.76Å; I674-F677 HydrophobicContact CG1-CZ 4.27Å; I674-F677 WeakPolarHBondContact O-CB 3.46Å; I674-F677 PolarHBondContact O-N 3.12Å; I674-F677 VanDerWaalsContact O-N 3.07Å; I675-F677 VanDerWaalsContact C-N 3.26Å; I675-F677 PolarHBondContact O-N 3.06Å; F677-H679 PolarHBondContact O-N 3.47Å; F677-L680 HydrophobicContact CD1-CD1 3.89Å; F677-L680 HydrophobicContact CD2-CD1 4.48Å; F677-L680 HydrophobicContact CE1-CD1 4.29Å; F677-L680 HydrophobicContact CG-CD1 4.02Å; F677-L680 PolarHBondContact O-N 2.87Å; F677-L683 HydrophobicContact CD1-CD2 3.63Å; F677-L683 HydrophobicContact CE1-CD2 3.79Å; F677-L686 HydrophobicContact CE1-CD1 4.04Å; F677-L686 HydrophobicContact CE1-CD2 3.89Å; F677-L686 HydrophobicContact CZ-CD1 4.47Å; F677-V703 HydrophobicContact CB-CG1 3.48Å; F677-V703 VanDerWaalsContact CB-CG1 3.48Å; F677-V703 HydrophobicContact CD1-CG1 3.8Å; F677-V703 HydrophobicContact CG-CG1 4.12Å
678Q80.4Confident88Confident96 Ų9650.3 Ų50.345%0.44923%0.232SC..G310 helixtrans-52.8-23.8166.570.6178.9-9.700113.6I675 S676 H702I675-Q678 WeakPolarHBondContact O-CG 3.41Å; I675-Q678 PolarHBondContact O-N 3.01Å; S676-Q678 PolarHBondContact O-N 3Å; S676-Q678 VanDerWaalsContact O-N 3.15Å; Q678-H702 HydrophobicContact CB-CB 4.37Å
679H84.6Confident88.1Confident99 Ų9953.2 Ų53.246%0.45824%0.243SC..G310 helixtrans-82.8-25.6176.6-55.1-60.6000112.4S676 F677 K681S676-H679 PolarHBondContact O-CD2 2.94Å; S676-H679 PolarHBondContact O-N 3.25Å; F677-H679 PolarHBondContact O-N 3.47Å; H679-K681 PolarHBondContact O-N 3.15Å
680L88.1Confident88.3Confident5 Ų550.9 Ų50.93%0.02624%0.239CC..  trans-83.756.5180-60.1-177000111.9F653 L655 L658 F677 R682 L683F653-L680 HydrophobicContact CD1-CD1 4Å; F653-L680 HydrophobicContact CD1-CG 4.38Å; F653-L680 HydrophobicContact CE1-CD1 4.46Å; L655-L680 HydrophobicContact CB-CD2 4.49Å; L655-L680 WeakPolarHBondContact O-CD2 3.41Å; L658-L680 HydrophobicContact CB-CD2 4.29Å; L658-L680 HydrophobicContact CD2-CD1 4.26Å; L658-L680 HydrophobicContact CD2-CD2 4.42Å; F677-L680 HydrophobicContact CD1-CD1 3.89Å; F677-L680 HydrophobicContact CD2-CD1 4.48Å; F677-L680 HydrophobicContact CE1-CD1 4.29Å; F677-L680 HydrophobicContact CG-CD1 4.02Å; F677-L680 PolarHBondContact O-N 2.87Å; L680-R682 PolarHBondContact O-N 3.47Å; L680-L683 HydrophobicContact CB-CB 4.24Å; L680-L683 WeakPolarHBondContact O-CB 3.37Å; L680-L683 PolarHBondContact O-N 2.9Å; L680-L683 VanDerWaalsContact O-N 3.09Å
681K84.3Confident88.6Confident159 Ų15949.5 Ų49.569%0.69123%0.23SC*.THydrogen-bonded Turntrans-60.6-16.2-172.3-64.1-177.7-179.3179.10114.8H679 N705H679-K681 PolarHBondContact O-N 3.15Å; K681-N705 PolarHBondContact O-ND2 3.43Å
682R90.8Very high89Confident147 Ų14753.8 Ų53.856%0.55525%0.248SC*.THydrogen-bonded Turntrans-99.1-3.2-179.1-74.7178.7165.9-172.7-8.3114.3N657 L658 Q659 L680 T684N657-R682 PolarHBondContact OD1-NH1 3.46Å; L658-R682 CarbonylContact O-C 3.2Å; L658-R682 WeakPolarHBondContact O-CB 3.49Å; Q659-R682 HydrophobicContact CG-CB 4.35Å; L680-R682 PolarHBondContact O-N 3.47Å; R682-T684 PolarHBondContact O-N 3.13Å
683L93.3Very high89.6Confident1 Ų148.2 Ų48.21%0.00522%0.222CC..  trans-66.1119.8-176.1-165.877.3000111.5L658 Q659 L661 F677 L680 L686 V703 N705 L706L658-L683 HydrophobicContact CD2-CD1 4.29Å; L658-L683 HydrophobicContact CG-CD1 4.24Å; L658-L683 WeakPolarHBondContact O-CA 3.39Å; L658-L683 PolarHBondContact O-N 3.26Å; L658-L683 VanDerWaalsContact O-N 3.08Å; Q659-L683 WeakPolarHBondContact O-CD1 3.32Å; L661-L683 HydrophobicContact CB-CD1 3.97Å; F677-L683 HydrophobicContact CD1-CD2 3.63Å; F677-L683 HydrophobicContact CE1-CD2 3.79Å; L680-L683 HydrophobicContact CB-CB 4.24Å; L680-L683 WeakPolarHBondContact O-CB 3.37Å; L680-L683 PolarHBondContact O-N 2.9Å; L680-L683 VanDerWaalsContact O-N 3.09Å; L683-L686 HydrophobicContact CD2-CB 4.42Å; L683-V703 HydrophobicContact CD2-CG1 4.41Å; L683-N705 CarbonylContact O-C 3.23Å; L683-N705 VanDerWaalsContact O-C 3.32Å; L683-L706 HydrophobicContact CD2-CD1 4.2Å; L683-L706 HydrophobicContact CG-CD1 4.25Å; L683-L706 PolarHBondContact O-N 3.16Å
684T95.5Very high90.2Very high49 Ų4950.3 Ų50.330%0.30124%0.236SC..  trans-112.8-26.4177.353.10000112.3Q659 R682 E707 S708Q659-T684 PolarHBondContact O-N 3.47Å; Q659-T684 PolarHBondContact O-OG1 3Å; R682-T684 PolarHBondContact O-N 3.13Å; T684-E707 PolarHBondContact O-N 3.45Å; T684-S708 PolarHBondContact O-N 2.95Å
685C96.5Very high90.8Very high11 Ų1154.6 Ų54.67%0.07426%0.259CS..EExtended strand (participates in β ladder)trans-131130.9-178.5-170.70000111.9Q659 E660 L661 S708Q659-C685 PolarHBondContact O-N 2.99Å; E660-C685 WeakPolarHBondContact CA-O 3.34Å; E660-C685 HydrophobicContact CB-CB 4.04Å; E660-C685 HydrophobicContact CG-CB 3.82Å; E660-C685 WeakPolarHBondContact OE2-CB 3.38Å; E660-C685 PolarHBondContact OE2-SG 3.23Å; L661-C685 PolarHBondContact N-O 3.42Å; C685-S708 WeakPolarHBondContact CA-O 3.23Å
686L95.2Very high91.4Very high0 Ų050.9 Ų50.90%024%0.24CC..EExtended strand (participates in β ladder)trans-131.7114.3178-179.157.4000110.2L661 I674 F677 L683 L688 L706 S708 L709 Y710L661-L686 HydrophobicContact CB-CD1 4.08Å; L661-L686 HydrophobicContact CD2-CD1 3.97Å; L661-L686 HydrophobicContact CG-CD1 4.11Å; I674-L686 HydrophobicContact CD1-CD2 4.41Å; F677-L686 HydrophobicContact CE1-CD1 4.04Å; F677-L686 HydrophobicContact CE1-CD2 3.89Å; F677-L686 HydrophobicContact CZ-CD1 4.47Å; L683-L686 HydrophobicContact CD2-CB 4.42Å; L686-L688 HydrophobicContact CD1-CD1 4.11Å; L686-L688 HydrophobicContact CD1-CD2 4.45Å; L686-L688 HydrophobicContact CD1-CG 4.01Å; L686-L688 HydrophobicContact CD2-CD1 3.88Å; L686-L688 HydrophobicContact CG-CD1 3.86Å; L686-L688 HydrophobicContact CG-CG 4.05Å; L686-L706 HydrophobicContact CB-CD1 3.77Å; L686-L706 HydrophobicContact CB-CD2 4.45Å; L686-S708 PolarHBondContact N-O 3.29Å; L686-L709 HydrophobicContact CB-CD1 4.15Å; L686-L709 HydrophobicContact CD2-CD1 4.03Å; L686-L709 HydrophobicContact CG-CD1 4.14Å; L686-Y710 PolarHBondContact O-N 2.93Å
687K96.1Very high91.7Very high38 Ų3850.8 Ų50.817%0.16524%0.239CC..EExtended strand (participates in β ladder)trans-109.8116178.9-67.5160.6179.6169.30109.7E660 L661 D662 L663 W689 Y710E660-K687 IonicContact OE1-NZ 2.67Å; E660-K687 PolarHBondContact OE1-NZ 3.29Å; E660-K687 IonicContact OE2-NZ 2.67Å; E660-K687 PolarHBondContact OE2-NZ 2.83Å; L661-K687 PolarHBondContact O-N 3.25Å; D662-K687 HydrophobicContact CB-CB 3.97Å; D662-K687 HydrophobicContact CB-CD 4.08Å; D662-K687 WeakPolarHBondContact OD1-CB 3.4Å; L663-K687 PolarHBondContact N-O 2.82Å; K687-W689 HydrophobicContact CD-CH2 4.03Å; K687-W689 HydrophobicContact CD-CZ2 4.29Å; K687-W689 HydrophobicContact CG-CH2 4.14Å; K687-W689 HydrophobicContact CG-CZ2 4.49Å; K687-W689 HydrophobicContact CG-CZ3 4.34Å; K687-Y710 HydrophobicContact CG-CD2 3.58Å; K687-Y710 HydrophobicContact CG-CE2 4.22Å; K687-Y710 HydrophobicContact CG-CG 4.22Å
688L95Very high92Very high1 Ų154.7 Ų54.71%0.00527%0.266CS..  trans-132.218.2-176.5-71.2171.1000111.4I648 L663 I668 I671 L686 N691 I693 Y710 L711 N714I648-L688 HydrophobicContact CD1-CD2 4.3Å; L663-L688 HydrophobicContact CB-CD2 4.11Å; L663-L688 HydrophobicContact CD1-CD2 4.16Å; I668-L688 HydrophobicContact CD1-CD2 4.34Å; I671-L688 HydrophobicContact CD1-CD1 4.46Å; I671-L688 HydrophobicContact CG2-CD1 4.37Å; L686-L688 HydrophobicContact CD1-CD1 4.11Å; L686-L688 HydrophobicContact CD1-CD2 4.45Å; L686-L688 HydrophobicContact CD1-CG 4.01Å; L686-L688 HydrophobicContact CD2-CD1 3.88Å; L686-L688 HydrophobicContact CG-CD1 3.86Å; L686-L688 HydrophobicContact CG-CG 4.05Å; L688-N691 PolarHBondContact O-ND2 3.38Å; L688-I693 HydrophobicContact CB-CD1 3.96Å; L688-I693 HydrophobicContact CD1-CD1 4.25Å; L688-I693 HydrophobicContact CG-CD1 4.49Å; L688-Y710 CarbonylContact C-O 3.59Å; L688-Y710 WeakPolarHBondContact CA-O 3.37Å; L688-Y710 PolarHBondContact N-O 3.24Å; L688-L711 HydrophobicContact CB-CD2 3.72Å; L688-L711 HydrophobicContact CD1-CD2 3.97Å; L688-N714 PolarHBondContact O-ND2 3.24Å
689W95.1Very high92.3Very high61 Ų6151.3 Ų51.323%0.23125%0.253CS..  trans-67.5162.6-179.261.546.4000112.5K664 S665 K687 N691 Y710 S712K664-W689 WeakPolarHBondContact CA-O 3.48Å; K664-W689 HydrophobicContact CB-CG 4.43Å; K664-W689 HydrophobicContact CD-CZ2 4.27Å; S665-W689 PolarHBondContact N-O 3.06Å; K687-W689 HydrophobicContact CD-CH2 4.03Å; K687-W689 HydrophobicContact CD-CZ2 4.29Å; K687-W689 HydrophobicContact CG-CH2 4.14Å; K687-W689 HydrophobicContact CG-CZ2 4.49Å; K687-W689 HydrophobicContact CG-CZ3 4.34Å; W689-N691 PolarHBondContact O-ND2 2.67Å; W689-Y710 VanDerWaalsContact CE3-CB 3.49Å; W689-Y710 AromaticContact CE3-CD1 3.84Å; W689-Y710 HydrophobicContact CE3-CD1 3.84Å; W689-Y710 AromaticContact CE3-CG 3.82Å; W689-Y710 HydrophobicContact CE3-CG 3.82Å; W689-Y710 AromaticContact CZ3-CD1 3.51Å; W689-Y710 HydrophobicContact CZ3-CD1 3.51Å; W689-Y710 HydrophobicContact CZ3-CD2 4.27Å; W689-Y710 HydrophobicContact CZ3-CE1 4.09Å; W689-Y710 AromaticContact CZ3-CG 3.63Å; W689-Y710 HydrophobicContact CZ3-CG 3.63Å; W689-S712 CarbonylContact C-O 3.48Å; W689-S712 WeakPolarHBondContact CA-O 3.19Å; W689-S712 WeakPolarHBondContact CB-O 3.4Å; W689-S712 WeakPolarHBondContact CB-OG 3.5Å
690H95.4Very high92.5Very high98 Ų9846.7 Ų46.745%0.45423%0.231SC..SBendtrans52.455.7-177-68.1-95.2000112.4S665 N666 S712 N713S665-H690 WeakPolarHBondContact CA-O 3.35Å; S665-H690 PolarHBondContact N-O 3.37Å; N666-H690 PolarHBondContact N-O 3.3Å; H690-S712 PolarHBondContact N-O 3.39Å; H690-N713 VanDerWaalsContact CA-O 3.28Å; H690-N713 WeakPolarHBondContact CA-O 3.5Å; H690-N713 HydrophobicContact CB-CB 4.49Å; H690-N713 PolarHBondContact CE1-ND2 2.85Å; H690-N713 PolarHBondContact N-O 3.3Å; H690-N713 PolarHBondContact NE2-ND2 3.16Å
691N95.6Very high92.4Very high13 Ų1348.7 Ų48.77%0.0724%0.244CC..SBendtrans-131.3-162.9178.1-88.6-79.8000109.9L663 N666 I668 L688 W689 I693 N713 N714L663-N691 PolarHBondContact O-ND2 2.93Å; N666-N691 WeakPolarHBondContact CA-OD1 3.42Å; N666-N691 VanDerWaalsContact CB-OD1 3.24Å; N666-N691 WeakPolarHBondContact CB-OD1 3.39Å; N666-N691 PolarHBondContact O-OD1 3.43Å; I668-N691 HydrophobicContact CB-CB 4.36Å; I668-N691 VanDerWaalsContact CB-OD1 3.26Å; I668-N691 WeakPolarHBondContact CB-OD1 3.43Å; I668-N691 WeakPolarHBondContact CG1-OD1 3.41Å; I668-N691 PolarHBondContact N-OD1 2.74Å; L688-N691 PolarHBondContact O-ND2 3.38Å; W689-N691 PolarHBondContact O-ND2 2.67Å; N691-I693 HydrophobicContact CB-CD1 4.31Å; N691-I693 HydrophobicContact CB-CG1 4.17Å; N691-N713 PolarHBondContact N-O 2.96Å; N691-N713 VanDerWaalsContact N-O 3.07Å; N691-N714 WeakPolarHBondContact CA-OD1 3.38Å; N691-N714 WeakPolarHBondContact CB-OD1 3.48Å; N691-N714 PolarHBondContact O-OD1 3.38Å
692K95.3Very high92.4Very high94 Ų9445 Ų4541%0.40923%0.229SC..  trans-124.625.2-175.6-65.1167.2-173.7164.60111.2S667 I668 R669 V694 N714S667-K692 PolarHBondContact OG-NZ 3.42Å; I668-K692 CarbonylContact O-C 3.38Å; I668-K692 VanDerWaalsContact O-CA 3.29Å; I668-K692 WeakPolarHBondContact O-CA 3.37Å; I668-K692 PolarHBondContact O-N 3.1Å; R669-K692 HydrophobicContact CG-CB 4.34Å; K692-V694 PolarHBondContact O-N 3.18Å; K692-N714 PolarHBondContact N-OD1 3.02Å
693I95.5Very high92.3Very high0 Ų038.4 Ų38.40%021%0.205CC..  trans-69.4124-172.5-56.9169.2000109.6I668 R669 I671 L688 N691 L711 N714 K715 L716I668-I693 HydrophobicContact CG2-CD1 4.5Å; I668-I693 HydrophobicContact CG2-CG1 4.2Å; I668-I693 WeakPolarHBondContact O-CG1 3.39Å; I668-I693 PolarHBondContact O-N 3.47Å; I668-I693 VanDerWaalsContact O-N 3.14Å; R669-I693 WeakPolarHBondContact O-CA 3.24Å; I671-I693 HydrophobicContact CD1-CG2 4.41Å; I671-I693 HydrophobicContact CG1-CG2 4.38Å; I671-I693 HydrophobicContact CG2-CD1 3.83Å; I671-I693 HydrophobicContact CG2-CG1 4.24Å; L688-I693 HydrophobicContact CB-CD1 3.96Å; L688-I693 HydrophobicContact CD1-CD1 4.25Å; L688-I693 HydrophobicContact CG-CD1 4.49Å; N691-I693 HydrophobicContact CB-CD1 4.31Å; N691-I693 HydrophobicContact CB-CG1 4.17Å; I693-L711 HydrophobicContact CD1-CD2 3.89Å; I693-N714 HydrophobicContact CB-CB 4.43Å; I693-N714 VanDerWaalsContact CB-OD1 3.32Å; I693-N714 WeakPolarHBondContact CB-OD1 3.38Å; I693-N714 WeakPolarHBondContact CG1-OD1 3.48Å; I693-N714 PolarHBondContact N-OD1 2.68Å; I693-K715 CarbonylContact O-C 3.52Å; I693-K715 VanDerWaalsContact O-C 3.25Å; I693-K715 WeakPolarHBondContact O-CA 3.37Å; I693-K715 PolarHBondContact O-N 2.67Å; I693-L716 HydrophobicContact CG2-CD2 4Å; I693-L716 PolarHBondContact O-N 2.72Å
694V93.6Very high92Very high59 Ų5945.6 Ų45.636%0.35824%0.236SC..  trans-93.2-38.8-177.4-175.30000112.5R669 K692 K715 L716R669-V694 PolarHBondContact O-N 3.23Å; K692-V694 PolarHBondContact O-N 3.18Å; V694-K715 HydrophobicContact CG2-CB 4.43Å; V694-L716 WeakPolarHBondContact O-CA 3.4Å
695N91.4Very high91.8Very high90 Ų9046.3 Ų46.348%0.48124%0.238SC..  trans-142.2149.3-176.8-79.4-53.2000111.7
696I91.9Very high91.7Very high12 Ų1245.8 Ų45.86%0.06224%0.235CC..  trans-97.4124.3169.8-53.4168.8000107.8I671 I700 L711 L716 L719 P720 V723I671-I696 HydrophobicContact CD1-CG2 4.46Å; I696-I700 HydrophobicContact CG2-CB 4.08Å; I696-I700 HydrophobicContact CG2-CG1 4.35Å; I696-I700 HydrophobicContact CG2-CG2 4.15Å; I696-L711 HydrophobicContact CD1-CD1 3.61Å; I696-L711 HydrophobicContact CG1-CD1 4.19Å; I696-L716 HydrophobicContact CD1-CD1 4.08Å; I696-L716 HydrophobicContact CG1-CD1 4.32Å; I696-L716 HydrophobicContact CG1-CD2 3.91Å; I696-L719 HydrophobicContact CD1-CD2 4.19Å; I696-P720 HydrophobicContact CB-CG 3.88Å; I696-P720 HydrophobicContact CG2-CG 4.1Å; I696-P720 WeakPolarHBondContact O-CG 3.35Å; I696-V723 HydrophobicContact CD1-CG2 3.94Å; I696-V723 HydrophobicContact CG2-CG2 4.03Å
697P90.9Very high91.7Very high32 Ų3248.1 Ų48.121%0.20825%0.246CC..  trans-77.7153.417832.6-36000111.7I671 I674 S699 I700I671-P697 HydrophobicContact CG1-CG 4.35Å; I674-P697 HydrophobicContact CG2-CG 3.56Å; P697-S699 PolarHBondContact O-N 3.44Å; P697-S699 VanDerWaalsContact O-N 3.07Å; P697-I700 WeakPolarHBondContact O-CG2 3.43Å; P697-I700 PolarHBondContact O-N 2.95Å; P697-I700 VanDerWaalsContact O-N 3.1Å
698S86.9Confident91.8Very high83 Ų8347.6 Ų47.658%0.5825%0.247SC*.G310 helixtrans-59.2-21.9179.2550000114.2I700 T701S698-I700 PolarHBondContact O-N 3.41Å; S698-I700 VanDerWaalsContact O-N 3.12Å; S698-T701 WeakPolarHBondContact O-CG2 3.44Å; S698-T701 PolarHBondContact O-N 2.96Å; S698-T701 PolarHBondContact O-OG1 3.34Å
699S86.8Confident91.8Very high25 Ų2547.7 Ų47.718%0.17525%0.247CC..G310 helixtrans-64.3-6.8174.6-47.30000114.7I675 P697 T701 H702I675-S699 WeakPolarHBondContact CG1-OG 3.25Å; P697-S699 PolarHBondContact O-N 3.44Å; P697-S699 VanDerWaalsContact O-N 3.07Å; S699-T701 PolarHBondContact O-N 3.44Å; S699-T701 VanDerWaalsContact O-N 3.16Å; S699-H702 PolarHBondContact O-N 3.5Å; S699-H702 VanDerWaalsContact O-N 3.15Å; S699-H702 PolarHBondContact O-ND1 3.24Å
700I88.5Confident91.9Very high2 Ų247.3 Ų47.31%0.0125%0.246CC..G310 helixtrans-54.2-26.2166.7-171.666.9000112.2I674 I696 P697 S698 H702 V703 A722 V723 L726I674-I700 HydrophobicContact CD1-CD1 3.44Å; I674-I700 VanDerWaalsContact CD1-CD1 3.44Å; I674-I700 HydrophobicContact CG1-CD1 4.43Å; I696-I700 HydrophobicContact CG2-CB 4.08Å; I696-I700 HydrophobicContact CG2-CG1 4.35Å; I696-I700 HydrophobicContact CG2-CG2 4.15Å; P697-I700 WeakPolarHBondContact O-CG2 3.43Å; P697-I700 PolarHBondContact O-N 2.95Å; P697-I700 VanDerWaalsContact O-N 3.1Å; S698-I700 PolarHBondContact O-N 3.41Å; S698-I700 VanDerWaalsContact O-N 3.12Å; I700-H702 PolarHBondContact O-N 2.94Å; I700-V703 HydrophobicContact CD1-CG2 3.72Å; I700-V703 HydrophobicContact CG1-CG2 4.33Å; I700-V703 WeakPolarHBondContact O-CG2 3.23Å; I700-V703 PolarHBondContact O-N 2.92Å; I700-V703 VanDerWaalsContact O-N 3.15Å; I700-A722 HydrophobicContact CG2-CB 3.65Å; I700-V723 HydrophobicContact CG1-CG2 4.45Å; I700-V723 HydrophobicContact CG2-CG2 4.16Å; I700-L726 HydrophobicContact CG1-CD1 4.1Å
701T85.8Confident91.9Very high48 Ų4842.7 Ų42.729%0.29423%0.225SC..G310 helixtrans-54.2-16.717347.30000115.3S698 S699 K704 A722 S725S698-T701 WeakPolarHBondContact O-CG2 3.44Å; S698-T701 PolarHBondContact O-N 2.96Å; S698-T701 PolarHBondContact O-OG1 3.34Å; S699-T701 PolarHBondContact O-N 3.44Å; S699-T701 VanDerWaalsContact O-N 3.16Å; T701-K704 WeakPolarHBondContact O-CE 3.44Å; T701-K704 VanDerWaalsContact O-CG 3.31Å; T701-K704 WeakPolarHBondContact O-CG 3.19Å; T701-A722 HydrophobicContact CG2-CB 3.94Å; T701-S725 VanDerWaalsContact CG2-OG 3.3Å; T701-S725 WeakPolarHBondContact CG2-OG 3.32Å
702H85.4Confident91.9Very high81 Ų8142.6 Ų42.638%0.37523%0.225SC..G310 helixtrans-75.3-29.3177.2-60127.9000113.7Q678 S699 I700 K704Q678-H702 HydrophobicContact CB-CB 4.37Å; S699-H702 PolarHBondContact O-N 3.5Å; S699-H702 VanDerWaalsContact O-N 3.15Å; S699-H702 PolarHBondContact O-ND1 3.24Å; I700-H702 PolarHBondContact O-N 2.94Å; H702-K704 PolarHBondContact O-N 3.4Å
703V87.7Confident92Very high8 Ų840.9 Ų40.95%0.04822%0.22CC..  trans-83.854.6-177.9-68.30000112.9F677 L683 I700 N705 L706 L726F677-V703 HydrophobicContact CB-CG1 3.48Å; F677-V703 VanDerWaalsContact CB-CG1 3.48Å; F677-V703 HydrophobicContact CD1-CG1 3.8Å; F677-V703 HydrophobicContact CG-CG1 4.12Å; L683-V703 HydrophobicContact CD2-CG1 4.41Å; I700-V703 HydrophobicContact CD1-CG2 3.72Å; I700-V703 HydrophobicContact CG1-CG2 4.33Å; I700-V703 WeakPolarHBondContact O-CG2 3.23Å; I700-V703 PolarHBondContact O-N 2.92Å; I700-V703 VanDerWaalsContact O-N 3.15Å; V703-N705 PolarHBondContact O-N 3.35Å; V703-L706 HydrophobicContact CB-CB 4.37Å; V703-L706 HydrophobicContact CG2-CB 4.22Å; V703-L706 HydrophobicContact CG2-CD2 4.19Å; V703-L706 VanDerWaalsContact O-CB 3.3Å; V703-L706 WeakPolarHBondContact O-CB 3.31Å; V703-L706 PolarHBondContact O-N 3.04Å; V703-L726 HydrophobicContact CG2-CD1 4.42Å; V703-L726 HydrophobicContact CG2-CD2 4.38Å
704K87.3Confident92Very high153 Ų15341.6 Ų41.667%0.66522%0.224SC*.THydrogen-bonded Turntrans-60.2-9.7-174.1-59.3-176.5-178.6-177.80115.7T701 H702T701-K704 WeakPolarHBondContact O-CE 3.44Å; T701-K704 VanDerWaalsContact O-CG 3.31Å; T701-K704 WeakPolarHBondContact O-CG 3.19Å; H702-K704 PolarHBondContact O-N 3.4Å
705N91.8Very high92.1Very high63 Ų6345 Ų4534%0.33723%0.234SC..THydrogen-bonded Turntrans-98.3-0.9176.4-76.3-30.8000114.3K681 L683 V703 E707 K728K681-N705 PolarHBondContact O-ND2 3.43Å; L683-N705 CarbonylContact O-C 3.23Å; L683-N705 VanDerWaalsContact O-C 3.32Å; V703-N705 PolarHBondContact O-N 3.35Å; N705-E707 PolarHBondContact O-N 3.34Å; N705-K728 PolarHBondContact OD1-NZ 2.92Å
706L93.9Very high92.3Very high0 Ų040.8 Ų40.80%021%0.211CC..  trans-65.8125.2-179.5-159.774.8000111.5L683 L686 V703 L709 L726 K728 L729L683-L706 HydrophobicContact CD2-CD1 4.2Å; L683-L706 HydrophobicContact CG-CD1 4.25Å; L683-L706 PolarHBondContact O-N 3.16Å; L686-L706 HydrophobicContact CB-CD1 3.77Å; L686-L706 HydrophobicContact CB-CD2 4.45Å; V703-L706 HydrophobicContact CB-CB 4.37Å; V703-L706 HydrophobicContact CG2-CB 4.22Å; V703-L706 HydrophobicContact CG2-CD2 4.19Å; V703-L706 VanDerWaalsContact O-CB 3.3Å; V703-L706 WeakPolarHBondContact O-CB 3.31Å; V703-L706 PolarHBondContact O-N 3.04Å; L706-L709 HydrophobicContact CD2-CB 3.85Å; L706-L709 HydrophobicContact CD2-CD1 4.19Å; L706-L709 HydrophobicContact CD2-CD2 4.38Å; L706-L709 HydrophobicContact CD2-CG 4.36Å; L706-L726 HydrophobicContact CB-CD1 4.4Å; L706-L726 HydrophobicContact CD2-CD1 4.07Å; L706-K728 CarbonylContact O-C 3.58Å; L706-L729 HydrophobicContact CD2-CD1 4.19Å; L706-L729 HydrophobicContact CG-CD1 4.26Å; L706-L729 PolarHBondContact O-N 3.27Å
707E96.1Very high92.4Very high50 Ų5046.4 Ų46.423%0.23424%0.238CC..  trans-107.5-24.9176.4-55.9-149.5133.700112.3T684 N705 K728 R730 C731T684-E707 PolarHBondContact O-N 3.45Å; N705-E707 PolarHBondContact O-N 3.34Å; E707-K728 HydrophobicContact CG-CB 4.43Å; E707-R730 HydrophobicContact CB-CG 4.28Å; E707-R730 VanDerWaalsContact CD-CZ 3.48Å; E707-R730 WeakPolarHBondContact O-CA 2.86Å; E707-R730 PolarHBondContact O-N 2.97Å; E707-R730 IonicContact OE1-CZ 3.29Å; E707-R730 VanDerWaalsContact OE1-CZ 3.29Å; E707-R730 IonicContact OE1-NE 3.12Å; E707-R730 PolarHBondContact OE1-NE 2.6Å; E707-R730 VanDerWaalsContact OE1-NE 3.12Å; E707-R730 IonicContact OE1-NH2 2.72Å; E707-R730 PolarHBondContact OE1-NH2 3.47Å; E707-R730 IonicContact OE2-CZ 3.02Å; E707-R730 IonicContact OE2-NE 3.07Å; E707-R730 PolarHBondContact OE2-NE 2.96Å; E707-R730 IonicContact OE2-NH1 3.81Å; E707-R730 IonicContact OE2-NH2 2.92Å; E707-R730 PolarHBondContact OE2-NH2 3.06Å; E707-C731 PolarHBondContact O-N 3.22Å
708S96.9Very high92.4Very high27 Ų2747.8 Ų47.819%0.18925%0.248CC..EExtended strand (participates in β ladder)trans-135.9129.6177.2-640000112.2T684 C685 L686 C731T684-S708 PolarHBondContact O-N 2.95Å; C685-S708 WeakPolarHBondContact CA-O 3.23Å; L686-S708 PolarHBondContact N-O 3.29Å; S708-C731 WeakPolarHBondContact CA-O 3.2Å
709L96.1Very high92.7Very high2 Ų244.2 Ų44.21%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-129.2119.9176-18056.4000110.3L686 L706 L711 V723 L729 C731 L732 D733L686-L709 HydrophobicContact CB-CD1 4.15Å; L686-L709 HydrophobicContact CD2-CD1 4.03Å; L686-L709 HydrophobicContact CG-CD1 4.14Å; L706-L709 HydrophobicContact CD2-CB 3.85Å; L706-L709 HydrophobicContact CD2-CD1 4.19Å; L706-L709 HydrophobicContact CD2-CD2 4.38Å; L706-L709 HydrophobicContact CD2-CG 4.36Å; L709-L711 HydrophobicContact CD1-CD1 3.96Å; L709-L711 HydrophobicContact CD1-CG 4.08Å; L709-L711 HydrophobicContact CD2-CD1 3.88Å; L709-L711 HydrophobicContact CG-CD1 3.84Å; L709-L711 HydrophobicContact CG-CG 4.26Å; L709-V723 HydrophobicContact CD2-CG1 4.49Å; L709-L729 HydrophobicContact CB-CD1 3.96Å; L709-C731 PolarHBondContact N-O 3.48Å; L709-L732 HydrophobicContact CB-CD1 4.14Å; L709-L732 HydrophobicContact CD2-CD1 4.02Å; L709-L732 HydrophobicContact CG-CD1 4.15Å; L709-L732 WeakPolarHBondContact O-CA 3.42Å; L709-D733 PolarHBondContact O-N 3.13Å
710Y96.7Very high92.9Very high54 Ų5444.5 Ų44.521%0.21222%0.223CC..EExtended strand (participates in β ladder)trans-118.7120.8177.9-56.3-94.6000111.1L686 K687 L688 W689 C731 D733L686-Y710 PolarHBondContact O-N 2.93Å; K687-Y710 HydrophobicContact CG-CD2 3.58Å; K687-Y710 HydrophobicContact CG-CE2 4.22Å; K687-Y710 HydrophobicContact CG-CG 4.22Å; L688-Y710 CarbonylContact C-O 3.59Å; L688-Y710 WeakPolarHBondContact CA-O 3.37Å; L688-Y710 PolarHBondContact N-O 3.24Å; W689-Y710 VanDerWaalsContact CE3-CB 3.49Å; W689-Y710 AromaticContact CE3-CD1 3.84Å; W689-Y710 HydrophobicContact CE3-CD1 3.84Å; W689-Y710 AromaticContact CE3-CG 3.82Å; W689-Y710 HydrophobicContact CE3-CG 3.82Å; W689-Y710 AromaticContact CZ3-CD1 3.51Å; W689-Y710 HydrophobicContact CZ3-CD1 3.51Å; W689-Y710 HydrophobicContact CZ3-CD2 4.27Å; W689-Y710 HydrophobicContact CZ3-CE1 4.09Å; W689-Y710 AromaticContact CZ3-CG 3.63Å; W689-Y710 HydrophobicContact CZ3-CG 3.63Å; Y710-C731 VanDerWaalsContact CE1-SG 3.59Å; Y710-C731 PolarHBondContact OH-SG 3.44Å; Y710-D733 HydrophobicContact CD1-CB 3.67Å; Y710-D733 HydrophobicContact CE1-CB 4.35Å; Y710-D733 HydrophobicContact CG-CB 4.45Å
711L95.8Very high92.9Very high1 Ų146.9 Ų46.91%0.00524%0.244CC..  trans-134.319.7-174.9-76.3163.5000111.7L688 I693 I696 L709 N714 L716 D733 V734 N737L688-L711 HydrophobicContact CB-CD2 3.72Å; L688-L711 HydrophobicContact CD1-CD2 3.97Å; I693-L711 HydrophobicContact CD1-CD2 3.89Å; I696-L711 HydrophobicContact CD1-CD1 3.61Å; I696-L711 HydrophobicContact CG1-CD1 4.19Å; L709-L711 HydrophobicContact CD1-CD1 3.96Å; L709-L711 HydrophobicContact CD1-CG 4.08Å; L709-L711 HydrophobicContact CD2-CD1 3.88Å; L709-L711 HydrophobicContact CG-CD1 3.84Å; L709-L711 HydrophobicContact CG-CG 4.26Å; L711-N714 WeakPolarHBondContact O-CB 3.39Å; L711-N714 PolarHBondContact O-ND2 3.07Å; L711-L716 HydrophobicContact CB-CD1 4.09Å; L711-L716 HydrophobicContact CD1-CD1 4.24Å; L711-D733 PolarHBondContact N-O 2.98Å; L711-V734 HydrophobicContact CB-CG1 4.29Å; L711-N737 PolarHBondContact O-ND2 2.81Å
712S96.1Very high93.1Very high10 Ų1045.3 Ų45.37%0.0724%0.236CC..  trans-65.6155.7-178.940.30000113.8W689 H690 N714 D733 S735W689-S712 CarbonylContact C-O 3.48Å; W689-S712 WeakPolarHBondContact CA-O 3.19Å; W689-S712 WeakPolarHBondContact CB-O 3.4Å; W689-S712 WeakPolarHBondContact CB-OG 3.5Å; H690-S712 PolarHBondContact N-O 3.39Å; S712-N714 PolarHBondContact O-ND2 3.49Å; S712-D733 WeakPolarHBondContact CB-OD2 3.37Å; S712-D733 PolarHBondContact OG-OD2 2.9Å; S712-S735 CarbonylContact C-O 3.57Å; S712-S735 WeakPolarHBondContact CA-O 3.33Å; S712-S735 VanDerWaalsContact CB-O 3.28Å; S712-S735 WeakPolarHBondContact CB-O 3.46Å
713N95.9Very high93.4Very high59 Ų5941.5 Ų41.532%0.31622%0.218SC..SBendtrans52.761.6-175.2-71.5-60.7000111.9H690 N691 S735 Y736H690-N713 VanDerWaalsContact CA-O 3.28Å; H690-N713 WeakPolarHBondContact CA-O 3.5Å; H690-N713 HydrophobicContact CB-CB 4.49Å; H690-N713 PolarHBondContact CE1-ND2 2.85Å; H690-N713 PolarHBondContact N-O 3.3Å; H690-N713 PolarHBondContact NE2-ND2 3.16Å; N691-N713 PolarHBondContact N-O 2.96Å; N691-N713 VanDerWaalsContact N-O 3.07Å; N713-S735 PolarHBondContact N-O 3.41Å; N713-Y736 VanDerWaalsContact CA-O 3.28Å; N713-Y736 WeakPolarHBondContact CA-O 3.34Å; N713-Y736 PolarHBondContact N-O 3.41Å; N713-Y736 WeakPolarHBondContact OD1-CB 3.31Å
714N96.7Very high93.6Very high14 Ų1441.1 Ų41.18%0.07522%0.216CC..SBendtrans-133.2-160.6176.3-88-75.5000110L688 N691 K692 I693 L711 S712 L716 Y736 N737L688-N714 PolarHBondContact O-ND2 3.24Å; N691-N714 WeakPolarHBondContact CA-OD1 3.38Å; N691-N714 WeakPolarHBondContact CB-OD1 3.48Å; N691-N714 PolarHBondContact O-OD1 3.38Å; K692-N714 PolarHBondContact N-OD1 3.02Å; I693-N714 HydrophobicContact CB-CB 4.43Å; I693-N714 VanDerWaalsContact CB-OD1 3.32Å; I693-N714 WeakPolarHBondContact CB-OD1 3.38Å; I693-N714 WeakPolarHBondContact CG1-OD1 3.48Å; I693-N714 PolarHBondContact N-OD1 2.68Å; L711-N714 WeakPolarHBondContact O-CB 3.39Å; L711-N714 PolarHBondContact O-ND2 3.07Å; S712-N714 PolarHBondContact O-ND2 3.49Å; N714-L716 HydrophobicContact CB-CG 4.47Å; N714-Y736 PolarHBondContact N-O 2.68Å; N714-N737 WeakPolarHBondContact CA-OD1 3.4Å; N714-N737 WeakPolarHBondContact CB-OD1 3.48Å; N714-N737 PolarHBondContact O-OD1 3.49Å
715K95.5Very high93.7Very high132 Ų13236.5 Ų36.557%0.57420%0.202SC*.  trans-125.633-178.7-61.6-164.9173.4-1620112.7I693 V694 E717 N737I693-K715 CarbonylContact O-C 3.52Å; I693-K715 VanDerWaalsContact O-C 3.25Å; I693-K715 WeakPolarHBondContact O-CA 3.37Å; I693-K715 PolarHBondContact O-N 2.67Å; V694-K715 HydrophobicContact CG2-CB 4.43Å; K715-E717 PolarHBondContact O-N 3.41Å; K715-N737 PolarHBondContact N-OD1 2.99Å
716L95.4Very high93.7Very high0 Ų033.6 Ų33.60%019%0.187CC..  trans-68.9120.8-179.6-59.3176.6000110.9I693 V694 I696 L711 N714 N737 S738 I739I693-L716 HydrophobicContact CG2-CD2 4Å; I693-L716 PolarHBondContact O-N 2.72Å; V694-L716 WeakPolarHBondContact O-CA 3.4Å; I696-L716 HydrophobicContact CD1-CD1 4.08Å; I696-L716 HydrophobicContact CG1-CD1 4.32Å; I696-L716 HydrophobicContact CG1-CD2 3.91Å; L711-L716 HydrophobicContact CB-CD1 4.09Å; L711-L716 HydrophobicContact CD1-CD1 4.24Å; N714-L716 HydrophobicContact CB-CG 4.47Å; L716-N737 HydrophobicContact CB-CB 4.16Å; L716-N737 WeakPolarHBondContact CB-OD1 3.41Å; L716-N737 WeakPolarHBondContact CG-OD1 3.16Å; L716-N737 PolarHBondContact N-OD1 3.3Å; L716-S738 CarbonylContact O-C 3.52Å; L716-S738 VanDerWaalsContact O-C 3.23Å; L716-S738 WeakPolarHBondContact O-CA 3.4Å; L716-S738 PolarHBondContact O-N 3.02Å; L716-I739 HydrophobicContact CB-CD1 4.45Å; L716-I739 HydrophobicContact CB-CG1 4.21Å; L716-I739 PolarHBondContact O-N 3.2Å
717E93.4Very high93.5Very high131 Ų13140.3 Ų40.361%0.61222%0.218SC*.SBendtrans-89.7-24.7175.2-62.8-178.2169.200112.3K715K715-E717 PolarHBondContact O-N 3.41Å
718S92.1Very high93.4Very high60 Ų6042.2 Ų42.242%0.4223%0.226SC..  trans-150.6161.3178.868.10000112
719L92Very high93.4Very high8 Ų840.9 Ų40.94%0.04222%0.217CC..  trans-105127.8169.6-60.4176.8000108.7I696 F724 V734 I739 P743I696-L719 HydrophobicContact CD1-CD2 4.19Å; L719-F724 HydrophobicContact CB-CE2 4.12Å; L719-F724 HydrophobicContact CB-CZ 3.92Å; L719-F724 HydrophobicContact CD1-CZ 3.94Å; L719-V734 HydrophobicContact CD1-CG2 4.39Å; L719-V734 HydrophobicContact CD2-CB 4.5Å; L719-V734 HydrophobicContact CD2-CG1 3.95Å; L719-I739 HydrophobicContact CD1-CD1 4.2Å; L719-I739 HydrophobicContact CD1-CG2 4.47Å; L719-I739 HydrophobicContact CD2-CD1 3.71Å; L719-I739 HydrophobicContact CD2-CG1 4.41Å; L719-I739 HydrophobicContact CG-CD1 3.87Å; L719-I739 HydrophobicContact CG-CG1 4.33Å; L719-I739 HydrophobicContact CG-CG2 4.22Å; L719-P743 HydrophobicContact CB-CG 4.26Å; L719-P743 VanDerWaalsContact O-CG 3.22Å; L719-P743 WeakPolarHBondContact O-CG 3.2Å
720P91.7Very high93.4Very high31 Ų3146 Ų4620%0.20124%0.236CC..  trans-78.2146.3177.234-36.9000110.6I696 A722 V723I696-P720 HydrophobicContact CB-CG 3.88Å; I696-P720 HydrophobicContact CG2-CG 4.1Å; I696-P720 WeakPolarHBondContact O-CG 3.35Å; P720-A722 HydrophobicContact CB-CB 4.36Å; P720-A722 HydrophobicContact CG-CB 4.45Å; P720-A722 PolarHBondContact O-N 2.92Å; P720-V723 HydrophobicContact CG-CG2 4.02Å; P720-V723 PolarHBondContact O-N 3.01Å
721A89.4Confident93.4Very high53 Ų5343.7 Ų43.744%0.43823%0.228SC..G310 helixtrans-48.2-30.1173.200000113.2V723 F724 E745A721-V723 VanDerWaalsContact C-N 3.32Å; A721-V723 PolarHBondContact O-N 3.33Å; A721-F724 PolarHBondContact O-N 3.41Å; A721-E745 HydrophobicContact CB-CG 4.07Å
722A89.8Confident93.5Very high15 Ų1543.7 Ų43.712%0.12423%0.228CC..G310 helixtrans-55.8-33.7176.800000115.2I700 T701 P720 F724 S725I700-A722 HydrophobicContact CG2-CB 3.65Å; T701-A722 HydrophobicContact CG2-CB 3.94Å; P720-A722 HydrophobicContact CB-CB 4.36Å; P720-A722 HydrophobicContact CG-CB 4.45Å; P720-A722 PolarHBondContact O-N 2.92Å; A722-F724 VanDerWaalsContact C-N 3.3Å; A722-F724 PolarHBondContact O-N 2.87Å; A722-S725 WeakPolarHBondContact O-CB 3.24Å; A722-S725 PolarHBondContact O-N 3.47Å; A722-S725 PolarHBondContact O-OG 3.25Å
723V91.5Very high93.5Very high1 Ų144 Ų441%0.00623%0.228CC..G310 helixtrans-64.2-37.7178169.30000111.3I696 I700 L709 P720 A721 S725 L726 L732I696-V723 HydrophobicContact CD1-CG2 3.94Å; I696-V723 HydrophobicContact CG2-CG2 4.03Å; I700-V723 HydrophobicContact CG1-CG2 4.45Å; I700-V723 HydrophobicContact CG2-CG2 4.16Å; L709-V723 HydrophobicContact CD2-CG1 4.49Å; P720-V723 HydrophobicContact CG-CG2 4.02Å; P720-V723 PolarHBondContact O-N 3.01Å; A721-V723 VanDerWaalsContact C-N 3.32Å; A721-V723 PolarHBondContact O-N 3.33Å; V723-S725 PolarHBondContact O-N 2.74Å; V723-L726 WeakPolarHBondContact O-CB 3.23Å; V723-L726 WeakPolarHBondContact O-CG 3.14Å; V723-L726 PolarHBondContact O-N 2.89Å; V723-L732 HydrophobicContact CG1-CD1 4.47Å; V723-L732 HydrophobicContact CG1-CD2 4.25Å
724F90.7Very high93.5Very high0 Ų041.2 Ų41.20%021%0.213CC..G310 helixtrans-78.2-2-176.8-46.5-74.4000113.1L719 A721 A722 L726 L732 P743 E745 I746 L749L719-F724 HydrophobicContact CB-CE2 4.12Å; L719-F724 HydrophobicContact CB-CZ 3.92Å; L719-F724 HydrophobicContact CD1-CZ 3.94Å; A721-F724 PolarHBondContact O-N 3.41Å; A722-F724 VanDerWaalsContact C-N 3.3Å; A722-F724 PolarHBondContact O-N 2.87Å; F724-L726 VanDerWaalsContact C-N 3.26Å; F724-L732 HydrophobicContact CE1-CD2 4.3Å; F724-P743 HydrophobicContact CD2-CB 4.46Å; F724-P743 HydrophobicContact CE2-CB 3.94Å; F724-P743 HydrophobicContact CE2-CG 3.74Å; F724-P743 HydrophobicContact CZ-CG 4.26Å; F724-E745 HydrophobicContact CB-CB 3.77Å; F724-E745 WeakPolarHBondContact CB-O 3.5Å; F724-E745 HydrophobicContact CD2-CB 3.88Å; F724-E745 HydrophobicContact CG-CB 4.04Å; F724-I746 HydrophobicContact CD1-CB 4.18Å; F724-I746 HydrophobicContact CD1-CD1 3.87Å; F724-I746 HydrophobicContact CE1-CB 4.22Å; F724-I746 HydrophobicContact CE1-CD1 3.75Å; F724-L749 HydrophobicContact CB-CG 4.27Å; F724-L749 HydrophobicContact CD1-CD1 3.75Å; F724-L749 HydrophobicContact CD1-CG 4.18Å; F724-L749 HydrophobicContact CE1-CD1 4.5Å; F724-L749 WeakPolarHBondContact O-CD2 3.03Å
725S90.1Very high93.5Very high55 Ų5541 Ų4139%0.38521%0.213SC..G310 helixtrans-74.3-15.2167.973.70000113.1T701 A722 V723 Q727T701-S725 VanDerWaalsContact CG2-OG 3.3Å; T701-S725 WeakPolarHBondContact CG2-OG 3.32Å; A722-S725 WeakPolarHBondContact O-CB 3.24Å; A722-S725 PolarHBondContact O-N 3.47Å; A722-S725 PolarHBondContact O-OG 3.25Å; V723-S725 PolarHBondContact O-N 2.74Å; S725-Q727 VanDerWaalsContact C-N 3.31Å; S725-Q727 PolarHBondContact O-N 2.93Å
726L91.8Very high93.6Very high2 Ų239.8 Ų39.81%0.0121%0.206CC..  trans-77.672.9-178.5-60.5-178.9000111.9I700 V703 L706 V723 F724 K728 L729 L749I700-L726 HydrophobicContact CG1-CD1 4.1Å; V703-L726 HydrophobicContact CG2-CD1 4.42Å; V703-L726 HydrophobicContact CG2-CD2 4.38Å; L706-L726 HydrophobicContact CB-CD1 4.4Å; L706-L726 HydrophobicContact CD2-CD1 4.07Å; V723-L726 WeakPolarHBondContact O-CB 3.23Å; V723-L726 WeakPolarHBondContact O-CG 3.14Å; V723-L726 PolarHBondContact O-N 2.89Å; F724-L726 VanDerWaalsContact C-N 3.26Å; L726-K728 PolarHBondContact O-N 2.89Å; L726-L729 HydrophobicContact CB-CB 4.22Å; L726-L729 VanDerWaalsContact O-CB 3.25Å; L726-L729 WeakPolarHBondContact O-CB 3.22Å; L726-L729 PolarHBondContact O-N 3.49Å; L726-L749 WeakPolarHBondContact O-CD2 3.47Å
727Q90Very high93.6Very high141 Ų14140.5 Ų40.566%0.65921%0.21SC*.THydrogen-bonded Turntrans-56-15-174.5-67.2-178.9-9.600116.2S725 N751S725-Q727 VanDerWaalsContact C-N 3.31Å; S725-Q727 PolarHBondContact O-N 2.93Å; Q727-N751 PolarHBondContact O-ND2 3.01Å
728K94.4Very high93.7Very high90 Ų9036.2 Ų36.239%0.39119%0.194SC..THydrogen-bonded Turntrans-88.7-8.8174.6-72.7-174.5175.9-176.50114.5N705 L706 E707 L726 R730N705-K728 PolarHBondContact OD1-NZ 2.92Å; L706-K728 CarbonylContact O-C 3.58Å; E707-K728 HydrophobicContact CG-CB 4.43Å; L726-K728 PolarHBondContact O-N 2.89Å; K728-R730 WeakPolarHBondContact O-CG 3.45Å; K728-R730 PolarHBondContact O-N 3.27Å
729L95.6Very high93.9Very high0 Ų033.3 Ų33.30%017%0.174CC..  trans-63.8122.1-175.2-158.371.5000111L706 L709 L726 L732 L749 N751 L752L706-L729 HydrophobicContact CD2-CD1 4.19Å; L706-L729 HydrophobicContact CG-CD1 4.26Å; L706-L729 PolarHBondContact O-N 3.27Å; L709-L729 HydrophobicContact CB-CD1 3.96Å; L726-L729 HydrophobicContact CB-CB 4.22Å; L726-L729 VanDerWaalsContact O-CB 3.25Å; L726-L729 WeakPolarHBondContact O-CB 3.22Å; L726-L729 PolarHBondContact O-N 3.49Å; L729-L732 HydrophobicContact CD2-CB 3.92Å; L729-L732 HydrophobicContact CD2-CD1 4.27Å; L729-L732 HydrophobicContact CD2-CD2 4.32Å; L729-L732 HydrophobicContact CD2-CG 4.4Å; L729-L749 HydrophobicContact CB-CD1 4.48Å; L729-L749 HydrophobicContact CB-CD2 4.27Å; L729-L749 HydrophobicContact CD2-CD1 3.98Å; L729-N751 CarbonylContact O-C 3.54Å; L729-L752 WeakPolarHBondContact O-CA 3.47Å; L729-L752 PolarHBondContact O-N 2.96Å
730R96.7Very high94Very high108 Ų10835.4 Ų35.441%0.40819%0.192SC..  trans-108.5-33.9179.9-50.4-175.8-169.8-173.69.8111.7E707 K728 Q753 H754E707-R730 HydrophobicContact CB-CG 4.28Å; E707-R730 VanDerWaalsContact CD-CZ 3.48Å; E707-R730 WeakPolarHBondContact O-CA 2.86Å; E707-R730 PolarHBondContact O-N 2.97Å; E707-R730 IonicContact OE1-CZ 3.29Å; E707-R730 VanDerWaalsContact OE1-CZ 3.29Å; E707-R730 IonicContact OE1-NE 3.12Å; E707-R730 PolarHBondContact OE1-NE 2.6Å; E707-R730 VanDerWaalsContact OE1-NE 3.12Å; E707-R730 IonicContact OE1-NH2 2.72Å; E707-R730 PolarHBondContact OE1-NH2 3.47Å; E707-R730 IonicContact OE2-CZ 3.02Å; E707-R730 IonicContact OE2-NE 3.07Å; E707-R730 PolarHBondContact OE2-NE 2.96Å; E707-R730 IonicContact OE2-NH1 3.81Å; E707-R730 IonicContact OE2-NH2 2.92Å; E707-R730 PolarHBondContact OE2-NH2 3.06Å; K728-R730 WeakPolarHBondContact O-CG 3.45Å; K728-R730 PolarHBondContact O-N 3.27Å; R730-Q753 PolarHBondContact O-N 2.03Å; R730-H754 PolarHBondContact O-N 3.48Å
731C97.3Very high94Very high7 Ų738.6 Ų38.65%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-122.5127.9175.5-172.60000110.5E707 S708 L709 Y710 H754E707-C731 PolarHBondContact O-N 3.22Å; S708-C731 WeakPolarHBondContact CA-O 3.2Å; L709-C731 PolarHBondContact N-O 3.48Å; Y710-C731 VanDerWaalsContact CE1-SG 3.59Å; Y710-C731 PolarHBondContact OH-SG 3.44Å; C731-H754 WeakPolarHBondContact CA-O 3.4Å; C731-H754 HydrophobicContact CB-CB 4.44Å
732L96.8Very high94.2Very high1 Ų136.2 Ų36.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-132.3113.3169.6177.459.2000109L709 V723 F724 L729 V734 L752 H754 F755 H756L709-L732 HydrophobicContact CB-CD1 4.14Å; L709-L732 HydrophobicContact CD2-CD1 4.02Å; L709-L732 HydrophobicContact CG-CD1 4.15Å; L709-L732 WeakPolarHBondContact O-CA 3.42Å; V723-L732 HydrophobicContact CG1-CD1 4.47Å; V723-L732 HydrophobicContact CG1-CD2 4.25Å; F724-L732 HydrophobicContact CE1-CD2 4.3Å; L729-L732 HydrophobicContact CD2-CB 3.92Å; L729-L732 HydrophobicContact CD2-CD1 4.27Å; L729-L732 HydrophobicContact CD2-CD2 4.32Å; L729-L732 HydrophobicContact CD2-CG 4.4Å; L732-V734 HydrophobicContact CD1-CG1 3.85Å; L732-V734 HydrophobicContact CG-CG1 4.28Å; L732-L752 HydrophobicContact CB-CD1 4.06Å; L732-H754 PolarHBondContact N-O 3.03Å; L732-F755 HydrophobicContact CB-CD2 4.09Å; L732-F755 HydrophobicContact CD2-CD2 4.07Å; L732-F755 HydrophobicContact CD2-CE2 3.85Å; L732-F755 HydrophobicContact CG-CD2 4.08Å; L732-F755 HydrophobicContact CG-CE2 4.13Å; L732-F755 WeakPolarHBondContact O-CA 3.23Å; L732-H756 PolarHBondContact O-N 2.92Å
733D97Very high94.4Very high16 Ų1636.6 Ų36.69%0.08619%0.192CC..EExtended strand (participates in β ladder)trans-114.7120.6173.2171.530.6000110.2L709 Y710 L711 S712 S735 H756L709-D733 PolarHBondContact O-N 3.13Å; Y710-D733 HydrophobicContact CD1-CB 3.67Å; Y710-D733 HydrophobicContact CE1-CB 4.35Å; Y710-D733 HydrophobicContact CG-CB 4.45Å; L711-D733 PolarHBondContact N-O 2.98Å; S712-D733 WeakPolarHBondContact CB-OD2 3.37Å; S712-D733 PolarHBondContact OG-OD2 2.9Å; D733-S735 VanDerWaalsContact OD1-CB 3.23Å; D733-S735 WeakPolarHBondContact OD1-CB 3.32Å; D733-S735 PolarHBondContact OD1-N 3.46Å; D733-S735 PolarHBondContact OD1-OG 2.89Å; D733-H756 HydrophobicContact CB-CB 4.21Å
734V96.3Very high94.4Very high0 Ų040 Ų400%021%0.213CC..  trans-132.524.7178.8-66.90000110.7L711 L719 L732 N737 I739 F755 H756 I757 N760L711-V734 HydrophobicContact CB-CG1 4.29Å; L719-V734 HydrophobicContact CD1-CG2 4.39Å; L719-V734 HydrophobicContact CD2-CB 4.5Å; L719-V734 HydrophobicContact CD2-CG1 3.95Å; L732-V734 HydrophobicContact CD1-CG1 3.85Å; L732-V734 HydrophobicContact CG-CG1 4.28Å; V734-N737 PolarHBondContact O-ND2 3.48Å; V734-I739 HydrophobicContact CB-CD1 3.76Å; V734-I739 HydrophobicContact CG2-CD1 3.84Å; V734-F755 HydrophobicContact CG2-CE2 4.2Å; V734-H756 WeakPolarHBondContact CG2-O 3.34Å; V734-H756 PolarHBondContact N-O 2.92Å; V734-I757 HydrophobicContact CG2-CB 3.89Å; V734-I757 HydrophobicContact CG2-CD1 3.96Å; V734-I757 HydrophobicContact CG2-CG1 3.82Å; V734-N760 PolarHBondContact O-ND2 3.26Å
735S96.6Very high94.6Very high10 Ų1043.2 Ų43.27%0.0723%0.228CC..  trans-63.7153.4-178.5-48.60000112.6S712 N713 D733 N737 H756 T758S712-S735 CarbonylContact C-O 3.57Å; S712-S735 WeakPolarHBondContact CA-O 3.33Å; S712-S735 VanDerWaalsContact CB-O 3.28Å; S712-S735 WeakPolarHBondContact CB-O 3.46Å; N713-S735 PolarHBondContact N-O 3.41Å; D733-S735 VanDerWaalsContact OD1-CB 3.23Å; D733-S735 WeakPolarHBondContact OD1-CB 3.32Å; D733-S735 PolarHBondContact OD1-N 3.46Å; D733-S735 PolarHBondContact OD1-OG 2.89Å; S735-N737 PolarHBondContact O-ND2 3.23Å; S735-N737 VanDerWaalsContact O-ND2 3.15Å; S735-H756 WeakPolarHBondContact OG-CB 3.23Å; S735-T758 CarbonylContact C-O 3.47Å; S735-T758 WeakPolarHBondContact CA-O 3.17Å; S735-T758 WeakPolarHBondContact CB-O 3.2Å
736Y96.3Very high94.7Very high107 Ų10740.6 Ų40.642%0.4221%0.209SC..SBendtrans53.864.1-179.3-54.3-74000112.4N713 N714 T758 G759N713-Y736 VanDerWaalsContact CA-O 3.28Å; N713-Y736 WeakPolarHBondContact CA-O 3.34Å; N713-Y736 PolarHBondContact N-O 3.41Å; N713-Y736 WeakPolarHBondContact OD1-CB 3.31Å; N714-Y736 PolarHBondContact N-O 2.68Å; Y736-T758 PolarHBondContact N-O 3.31Å; Y736-G759 WeakPolarHBondContact CA-O 3.4Å; Y736-G759 PolarHBondContact N-O 3.26Å
737N96.5Very high94.6Very high15 Ų1541 Ų418%0.0821%0.214CC..SBendtrans-135.1-152.3177.4-85.4-78.7000109.2L711 N714 K715 L716 V734 S735 I739 G759 N760L711-N737 PolarHBondContact O-ND2 2.81Å; N714-N737 WeakPolarHBondContact CA-OD1 3.4Å; N714-N737 WeakPolarHBondContact CB-OD1 3.48Å; N714-N737 PolarHBondContact O-OD1 3.49Å; K715-N737 PolarHBondContact N-OD1 2.99Å; L716-N737 HydrophobicContact CB-CB 4.16Å; L716-N737 WeakPolarHBondContact CB-OD1 3.41Å; L716-N737 WeakPolarHBondContact CG-OD1 3.16Å; L716-N737 PolarHBondContact N-OD1 3.3Å; V734-N737 PolarHBondContact O-ND2 3.48Å; S735-N737 PolarHBondContact O-ND2 3.23Å; S735-N737 VanDerWaalsContact O-ND2 3.15Å; N737-I739 HydrophobicContact CB-CD1 4.17Å; N737-I739 HydrophobicContact CB-CG1 4.25Å; N737-G759 PolarHBondContact N-O 3.21Å; N737-G759 VanDerWaalsContact N-O 3.14Å; N737-N760 WeakPolarHBondContact CA-OD1 3.42Å; N737-N760 WeakPolarHBondContact CB-OD1 3.32Å
738S95.6Very high94.7Very high40 Ų4039.1 Ų39.128%0.2821%0.208SC..  trans-134.331.5174.6-84.30000112.5L716 A740 N760 K761L716-S738 CarbonylContact O-C 3.52Å; L716-S738 VanDerWaalsContact O-C 3.23Å; L716-S738 WeakPolarHBondContact O-CA 3.4Å; L716-S738 PolarHBondContact O-N 3.02Å; S738-A740 PolarHBondContact O-N 3.45Å; S738-N760 PolarHBondContact N-OD1 3.42Å; S738-K761 PolarHBondContact OG-NZ 2.92Å
739I95.8Very high94.6Very high0 Ų034.8 Ų34.80%019%0.189CC..  trans-68.5119.9-178.2-59.6159000109.3L716 L719 V734 N737 V741 I757 N760 K761 V762L716-I739 HydrophobicContact CB-CD1 4.45Å; L716-I739 HydrophobicContact CB-CG1 4.21Å; L716-I739 PolarHBondContact O-N 3.2Å; L719-I739 HydrophobicContact CD1-CD1 4.2Å; L719-I739 HydrophobicContact CD1-CG2 4.47Å; L719-I739 HydrophobicContact CD2-CD1 3.71Å; L719-I739 HydrophobicContact CD2-CG1 4.41Å; L719-I739 HydrophobicContact CG-CD1 3.87Å; L719-I739 HydrophobicContact CG-CG1 4.33Å; L719-I739 HydrophobicContact CG-CG2 4.22Å; V734-I739 HydrophobicContact CB-CD1 3.76Å; V734-I739 HydrophobicContact CG2-CD1 3.84Å; N737-I739 HydrophobicContact CB-CD1 4.17Å; N737-I739 HydrophobicContact CB-CG1 4.25Å; I739-V741 WeakPolarHBondContact CG2-O 3.48Å; I739-I757 HydrophobicContact CB-CD1 4.4Å; I739-I757 HydrophobicContact CD1-CD1 4.23Å; I739-I757 HydrophobicContact CG2-CD1 4.11Å; I739-N760 HydrophobicContact CB-CB 4.49Å; I739-N760 WeakPolarHBondContact CB-OD1 3.46Å; I739-N760 PolarHBondContact N-OD1 3.37Å; I739-K761 CarbonylContact O-C 3.49Å; I739-K761 WeakPolarHBondContact O-CA 3.49Å; I739-K761 PolarHBondContact O-N 2.95Å; I739-V762 PolarHBondContact O-N 2.97Å
740A93.6Very high94.4Very high51 Ų5138.7 Ų38.742%0.42121%0.207SC..  trans-91-2617900000114S738S738-A740 PolarHBondContact O-N 3.45Å
741V92.9Very high94.3Very high98 Ų9836.2 Ų36.259%0.59420%0.202SC*.  trans-140.6135-174.7-177.60000110.5I739I739-V741 WeakPolarHBondContact CG2-O 3.48Å
742I93.8Very high94.2Very high3 Ų335.9 Ų35.92%0.01520%0.2CC..  trans-88.8118.4167.1-57.6164.6000107.7I746 F755 I757 V762 L765 P766I742-I746 HydrophobicContact CG2-CB 4.12Å; I742-I746 HydrophobicContact CG2-CG1 4.35Å; I742-I746 HydrophobicContact CG2-CG2 4.17Å; I742-F755 HydrophobicContact CD1-CE1 4.07Å; I742-F755 HydrophobicContact CD1-CZ 4.33Å; I742-F755 HydrophobicContact CG2-CZ 4.49Å; I742-I757 HydrophobicContact CD1-CD1 4.23Å; I742-I757 HydrophobicContact CG1-CD1 3.82Å; I742-V762 HydrophobicContact CD1-CG1 4.05Å; I742-V762 HydrophobicContact CD1-CG2 4.46Å; I742-V762 HydrophobicContact CG1-CG1 4.22Å; I742-V762 HydrophobicContact CG1-CG2 4.17Å; I742-L765 HydrophobicContact CD1-CD2 3.9Å; I742-P766 HydrophobicContact CB-CG 3.96Å; I742-P766 HydrophobicContact CG2-CG 3.87Å; I742-P766 WeakPolarHBondContact O-CG 3.36Å
743P93.1Very high94.2Very high23 Ų2337.8 Ų37.815%0.14921%0.209CC..  trans-63.3150.5-179.9-2435.6000113.2L719 F724 E745 I746L719-P743 HydrophobicContact CB-CG 4.26Å; L719-P743 VanDerWaalsContact O-CG 3.22Å; L719-P743 WeakPolarHBondContact O-CG 3.2Å; F724-P743 HydrophobicContact CD2-CB 4.46Å; F724-P743 HydrophobicContact CE2-CB 3.94Å; F724-P743 HydrophobicContact CE2-CG 3.74Å; F724-P743 HydrophobicContact CZ-CG 4.26Å; P743-E745 WeakPolarHBondContact CB-OE2 3.32Å; P743-E745 PolarHBondContact O-N 3.42Å; P743-I746 WeakPolarHBondContact O-CB 3.18Å; P743-I746 WeakPolarHBondContact O-CG2 3.5Å; P743-I746 PolarHBondContact O-N 3.24Å
744V91.8Very high94.2Very high73 Ų7340 Ų4044%0.44222%0.218SC..G310 helixtrans-66.1-19.6-176.5-66.50000113.2I746 G747 P766 Q768V744-I746 PolarHBondContact O-N 3.22Å; V744-G747 PolarHBondContact O-N 2.94Å; V744-P766 HydrophobicContact CG1-CB 4.31Å; V744-Q768 HydrophobicContact CB-CG 4.14Å; V744-Q768 WeakPolarHBondContact O-CB 3.39Å; V744-Q768 WeakPolarHBondContact O-CG 3.29Å
745E94.2Very high94.3Very high68 Ų6840 Ų4032%0.31822%0.218SC..G310 helixtrans-63.2-16175.5-65.272.4-16100112.8A721 F724 P743 G747 L748A721-E745 HydrophobicContact CB-CG 4.07Å; F724-E745 HydrophobicContact CB-CB 3.77Å; F724-E745 WeakPolarHBondContact CB-O 3.5Å; F724-E745 HydrophobicContact CD2-CB 3.88Å; F724-E745 HydrophobicContact CG-CB 4.04Å; P743-E745 WeakPolarHBondContact CB-OE2 3.32Å; P743-E745 PolarHBondContact O-N 3.42Å; E745-G747 PolarHBondContact O-N 3.39Å; E745-L748 HydrophobicContact CB-CD1 4.13Å; E745-L748 HydrophobicContact CG-CD1 4.47Å; E745-L748 WeakPolarHBondContact O-CB 3.45Å; E745-L748 VanDerWaalsContact O-CG 3.27Å; E745-L748 WeakPolarHBondContact O-CG 3.48Å; E745-L748 PolarHBondContact O-N 3.41Å
746I93.4Very high94.3Very high0 Ų041.7 Ų41.70%023%0.225CC..G310 helixtrans-46.4-37.1173-17659.6000112.9F724 I742 P743 V744 L748 L749 L752 P766 Q768 L769 C772F724-I746 HydrophobicContact CD1-CB 4.18Å; F724-I746 HydrophobicContact CD1-CD1 3.87Å; F724-I746 HydrophobicContact CE1-CB 4.22Å; F724-I746 HydrophobicContact CE1-CD1 3.75Å; I742-I746 HydrophobicContact CG2-CB 4.12Å; I742-I746 HydrophobicContact CG2-CG1 4.35Å; I742-I746 HydrophobicContact CG2-CG2 4.17Å; P743-I746 WeakPolarHBondContact O-CB 3.18Å; P743-I746 WeakPolarHBondContact O-CG2 3.5Å; P743-I746 PolarHBondContact O-N 3.24Å; V744-I746 PolarHBondContact O-N 3.22Å; I746-L748 PolarHBondContact O-N 3.37Å; I746-L749 HydrophobicContact CD1-CD1 4.26Å; I746-L749 PolarHBondContact O-N 2.94Å; I746-L752 HydrophobicContact CD1-CD2 3.83Å; I746-P766 HydrophobicContact CG2-CG 3.9Å; I746-Q768 HydrophobicContact CG2-CB 4.26Å; I746-L769 HydrophobicContact CD1-CD1 4.39Å; I746-L769 HydrophobicContact CG1-CB 4.48Å; I746-L769 HydrophobicContact CG1-CD1 3.71Å; I746-L769 HydrophobicContact CG2-CB 4.13Å; I746-C772 PolarHBondContact O-SG 2.9Å
747G88.9Confident94.3Very high10 Ų1036.6 Ų36.610%0.10321%0.205CC..G310 helixtrans-66.3-6178.600000115.5V744 E745 Q750 Q768V744-G747 PolarHBondContact O-N 2.94Å; E745-G747 PolarHBondContact O-N 3.39Å; G747-Q750 PolarHBondContact O-NE2 3.29Å; G747-Q768 VanDerWaalsContact CA-O 3.28Å; G747-Q768 WeakPolarHBondContact CA-O 3.38Å
748L92Very high94.2Very high101 Ų10136.2 Ų36.253%0.52920%0.203SC..G310 helixtrans-78.2-23170-59.9175.9000112.3E745 I746 Q750E745-L748 HydrophobicContact CB-CD1 4.13Å; E745-L748 HydrophobicContact CG-CD1 4.47Å; E745-L748 WeakPolarHBondContact O-CB 3.45Å; E745-L748 VanDerWaalsContact O-CG 3.27Å; E745-L748 WeakPolarHBondContact O-CG 3.48Å; E745-L748 PolarHBondContact O-N 3.41Å; I746-L748 PolarHBondContact O-N 3.37Å; L748-Q750 PolarHBondContact O-N 2.89Å
749L93.4Very high94.2Very high0 Ų035 Ų350%020%0.197CC..  trans-79.765-179.9-63-172.7000111.9F724 L726 L729 I746 N751 L752 C772F724-L749 HydrophobicContact CB-CG 4.27Å; F724-L749 HydrophobicContact CD1-CD1 3.75Å; F724-L749 HydrophobicContact CD1-CG 4.18Å; F724-L749 HydrophobicContact CE1-CD1 4.5Å; F724-L749 WeakPolarHBondContact O-CD2 3.03Å; L726-L749 WeakPolarHBondContact O-CD2 3.47Å; L729-L749 HydrophobicContact CB-CD1 4.48Å; L729-L749 HydrophobicContact CB-CD2 4.27Å; L729-L749 HydrophobicContact CD2-CD1 3.98Å; I746-L749 HydrophobicContact CD1-CD1 4.26Å; I746-L749 PolarHBondContact O-N 2.94Å; L749-N751 PolarHBondContact O-N 3.5Å; L749-L752 HydrophobicContact CB-CB 4.06Å; L749-L752 HydrophobicContact CB-CD2 4.4Å; L749-L752 HydrophobicContact CD1-CD1 4.41Å; L749-L752 HydrophobicContact CD1-CD2 4.33Å; L749-L752 VanDerWaalsContact O-CB 3.32Å; L749-L752 WeakPolarHBondContact O-CB 3.49Å; L749-L752 PolarHBondContact O-N 3.13Å; L749-L752 VanDerWaalsContact O-N 3.1Å; L749-C772 PolarHBondContact O-SG 2.85Å
750Q90.7Very high94.3Very high81 Ų8135.6 Ų35.638%0.37920%0.2SC..THydrogen-bonded Turntrans-64.6-7.2-179.1-69.1-65-4900114.7G747 L748 K771 K774G747-Q750 PolarHBondContact O-NE2 3.29Å; L748-Q750 PolarHBondContact O-N 2.89Å; Q750-K771 PolarHBondContact NE2-O 3.18Å; Q750-K771 PolarHBondContact OE1-O 3.42Å; Q750-K774 WeakPolarHBondContact O-CD 3.41Å
751N94.5Very high94.3Very high57 Ų5738.7 Ų38.731%0.30520%0.204SC..THydrogen-bonded Turntrans-107.21.6175.8-70.1-52.1000114.4Q727 L729 L749 Q753 K774Q727-N751 PolarHBondContact O-ND2 3.01Å; L729-N751 CarbonylContact O-C 3.54Å; L749-N751 PolarHBondContact O-N 3.5Å; N751-Q753 PolarHBondContact O-N 2.8Å; N751-K774 PolarHBondContact OD1-NZ 2.78Å
752L96Very high94.4Very high0 Ų034.1 Ų34.10%018%0.176CC..  trans-66.2129.4-178.8-16264.9000111L729 L732 I746 L749 F755 K774 L775L729-L752 WeakPolarHBondContact O-CA 3.47Å; L729-L752 PolarHBondContact O-N 2.96Å; L732-L752 HydrophobicContact CB-CD1 4.06Å; I746-L752 HydrophobicContact CD1-CD2 3.83Å; L749-L752 HydrophobicContact CB-CB 4.06Å; L749-L752 HydrophobicContact CB-CD2 4.4Å; L749-L752 HydrophobicContact CD1-CD1 4.41Å; L749-L752 HydrophobicContact CD1-CD2 4.33Å; L749-L752 VanDerWaalsContact O-CB 3.32Å; L749-L752 WeakPolarHBondContact O-CB 3.49Å; L749-L752 PolarHBondContact O-N 3.13Å; L749-L752 VanDerWaalsContact O-N 3.1Å; L752-F755 HydrophobicContact CD2-CB 3.95Å; L752-F755 HydrophobicContact CD2-CG 4.24Å; L752-F755 HydrophobicContact CG-CB 4.43Å; L752-K774 CarbonylContact O-C 3.54Å; L752-L775 HydrophobicContact CB-CD2 4.41Å; L752-L775 HydrophobicContact CD2-CD2 4.16Å; L752-L775 HydrophobicContact CG-CD2 3.99Å; L752-L775 PolarHBondContact O-N 3.28Å; L752-L775 VanDerWaalsContact O-N 3.16Å
753Q96.4Very high94.4Very high41 Ų4137.1 Ų37.119%0.19219%0.192CC..  trans-119-34.2-179.4-66.4-175.164.500111.8R730 N751 K774 R776 T777R730-Q753 PolarHBondContact O-N 2.03Å; N751-Q753 PolarHBondContact O-N 2.8Å; Q753-K774 HydrophobicContact CG-CB 4.29Å; Q753-R776 HydrophobicContact CB-CG 4.4Å; Q753-R776 WeakPolarHBondContact O-CA 3.32Å; Q753-R776 PolarHBondContact O-N 2.92Å; Q753-T777 PolarHBondContact O-N 2.85Å
754H97.3Very high94.3Very high62 Ų6241.7 Ų41.729%0.28721%0.214SC..EExtended strand (participates in β ladder)trans-127.8122.2178.1-49.8-79.5000109R730 C731 L732 T777R730-H754 PolarHBondContact O-N 3.48Å; C731-H754 WeakPolarHBondContact CA-O 3.4Å; C731-H754 HydrophobicContact CB-CB 4.44Å; L732-H754 PolarHBondContact N-O 3.03Å; H754-T777 WeakPolarHBondContact CA-O 3.19Å; H754-T777 WeakPolarHBondContact ND1-CB 2.92Å; H754-T777 PolarHBondContact ND1-OG1 3.22Å
755F96.9Very high94.4Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-129.4118.4174.4-177.8-135000109.4L732 V734 I742 L752 I757 L769 L775 T777 L778 S779L732-F755 HydrophobicContact CB-CD2 4.09Å; L732-F755 HydrophobicContact CD2-CD2 4.07Å; L732-F755 HydrophobicContact CD2-CE2 3.85Å; L732-F755 HydrophobicContact CG-CD2 4.08Å; L732-F755 HydrophobicContact CG-CE2 4.13Å; L732-F755 WeakPolarHBondContact O-CA 3.23Å; V734-F755 HydrophobicContact CG2-CE2 4.2Å; I742-F755 HydrophobicContact CD1-CE1 4.07Å; I742-F755 HydrophobicContact CD1-CZ 4.33Å; I742-F755 HydrophobicContact CG2-CZ 4.49Å; L752-F755 HydrophobicContact CD2-CB 3.95Å; L752-F755 HydrophobicContact CD2-CG 4.24Å; L752-F755 HydrophobicContact CG-CB 4.43Å; F755-I757 HydrophobicContact CE1-CG2 4.14Å; F755-I757 HydrophobicContact CE2-CB 4.48Å; F755-I757 HydrophobicContact CZ-CB 4.17Å; F755-I757 HydrophobicContact CZ-CD1 4.1Å; F755-I757 HydrophobicContact CZ-CG2 4.15Å; F755-L769 HydrophobicContact CD1-CD1 3.9Å; F755-L769 HydrophobicContact CE1-CD1 4.13Å; F755-L775 HydrophobicContact CB-CD2 3.97Å; F755-T777 PolarHBondContact N-O 2.97Å; F755-L778 HydrophobicContact CB-CD1 4.31Å; F755-L778 HydrophobicContact CD1-CD1 3.69Å; F755-L778 HydrophobicContact CG-CD1 4.45Å; F755-S779 PolarHBondContact O-N 2.65Å
756H97.1Very high94.3Very high46 Ų4635.9 Ų35.921%0.21318%0.184CC..EExtended strand (participates in β ladder)trans-122.2122.9-179.6-50.6-93.1000109.9L732 D733 V734 S735 T777 S779L732-H756 PolarHBondContact O-N 2.92Å; D733-H756 HydrophobicContact CB-CB 4.21Å; V734-H756 WeakPolarHBondContact CG2-O 3.34Å; V734-H756 PolarHBondContact N-O 2.92Å; S735-H756 WeakPolarHBondContact OG-CB 3.23Å; H756-T777 VanDerWaalsContact CE1-CG2 3.5Å; H756-T777 WeakPolarHBondContact CE1-CG2 3.4Å; H756-S779 VanDerWaalsContact ND1-CB 3.31Å; H756-S779 WeakPolarHBondContact ND1-CB 3.32Å; H756-S779 PolarHBondContact ND1-OG 3.42Å; H756-S779 VanDerWaalsContact ND1-OG 3.16Å
757I95.9Very high94.2Very high0 Ų042.4 Ų42.40%021%0.212CC..  trans-138.222.5177.4-169.5161000110.2V734 I739 I742 F755 N760 V762 S779 L780 N783V734-I757 HydrophobicContact CG2-CB 3.89Å; V734-I757 HydrophobicContact CG2-CD1 3.96Å; V734-I757 HydrophobicContact CG2-CG1 3.82Å; I739-I757 HydrophobicContact CB-CD1 4.4Å; I739-I757 HydrophobicContact CD1-CD1 4.23Å; I739-I757 HydrophobicContact CG2-CD1 4.11Å; I742-I757 HydrophobicContact CD1-CD1 4.23Å; I742-I757 HydrophobicContact CG1-CD1 3.82Å; F755-I757 HydrophobicContact CE1-CG2 4.14Å; F755-I757 HydrophobicContact CE2-CB 4.48Å; F755-I757 HydrophobicContact CZ-CB 4.17Å; F755-I757 HydrophobicContact CZ-CD1 4.1Å; F755-I757 HydrophobicContact CZ-CG2 4.15Å; I757-N760 HydrophobicContact CG1-CB 4.01Å; I757-N760 WeakPolarHBondContact CG1-ND2 3Å; I757-N760 WeakPolarHBondContact O-CB 3Å; I757-N760 PolarHBondContact O-ND2 2.94Å; I757-V762 HydrophobicContact CD1-CG2 3.93Å; I757-V762 HydrophobicContact CG1-CG2 4.4Å; I757-S779 PolarHBondContact N-O 2.95Å; I757-L780 HydrophobicContact CG2-CD2 3.57Å; I757-N783 PolarHBondContact O-ND2 3.15Å
758T96Very high94.4Very high7 Ų745.1 Ų45.14%0.04322%0.222CC..  trans-57.9138179-67.30000110.8S735 Y736 S779 G781 Q782 E802S735-T758 CarbonylContact C-O 3.47Å; S735-T758 WeakPolarHBondContact CA-O 3.17Å; S735-T758 WeakPolarHBondContact CB-O 3.2Å; Y736-T758 PolarHBondContact N-O 3.31Å; T758-S779 WeakPolarHBondContact OG1-CB 3.33Å; T758-G781 CarbonylContact C-O 3.09Å; T758-G781 WeakPolarHBondContact CA-O 3.36Å; T758-G781 WeakPolarHBondContact CG2-O 3.33Å; T758-G781 PolarHBondContact OG1-N 3.38Å; T758-Q782 HydrophobicContact CG2-CB 4.48Å; T758-E802 PolarHBondContact OG1-OE2 3.46Å
759G95.1Very high94.4Very high14 Ų1440.3 Ų40.314%0.14420%0.197CC..SBendtrans7455.3-178.200000112.9Y736 N737 G781 Q782Y736-G759 WeakPolarHBondContact CA-O 3.4Å; Y736-G759 PolarHBondContact N-O 3.26Å; N737-G759 PolarHBondContact N-O 3.21Å; N737-G759 VanDerWaalsContact N-O 3.14Å; G759-G781 PolarHBondContact N-O 2.89Å; G759-Q782 CarbonylContact C-O 3.25Å; G759-Q782 WeakPolarHBondContact CA-O 3.38Å; G759-Q782 PolarHBondContact N-O 3.18Å; G759-Q782 VanDerWaalsContact N-O 3.16Å
760N96.6Very high94.3Very high12 Ų1240.4 Ų40.46%0.06420%0.197CC..SBendtrans-136.7-164.5177.4-85.1-79.7000110.2V734 N737 S738 I739 I757 V762 Q782 N783V734-N760 PolarHBondContact O-ND2 3.26Å; N737-N760 WeakPolarHBondContact CA-OD1 3.42Å; N737-N760 WeakPolarHBondContact CB-OD1 3.32Å; S738-N760 PolarHBondContact N-OD1 3.42Å; I739-N760 HydrophobicContact CB-CB 4.49Å; I739-N760 WeakPolarHBondContact CB-OD1 3.46Å; I739-N760 PolarHBondContact N-OD1 3.37Å; I757-N760 HydrophobicContact CG1-CB 4.01Å; I757-N760 WeakPolarHBondContact CG1-ND2 3Å; I757-N760 WeakPolarHBondContact O-CB 3Å; I757-N760 PolarHBondContact O-ND2 2.94Å; N760-V762 HydrophobicContact CB-CG2 4.45Å; N760-Q782 PolarHBondContact N-O 3.08Å; N760-N783 WeakPolarHBondContact CA-OD1 3.48Å; N760-N783 WeakPolarHBondContact CB-OD1 3.43Å; N760-N783 PolarHBondContact O-OD1 2.89Å
761K94.9Very high94.4Very high117 Ų11742.3 Ų42.351%0.50920%0.204SC..  trans-120.827.7-174.2-65.5170177.5159.90112S738 I739 N783S738-K761 PolarHBondContact OG-NZ 2.92Å; I739-K761 CarbonylContact O-C 3.49Å; I739-K761 WeakPolarHBondContact O-CA 3.49Å; I739-K761 PolarHBondContact O-N 2.95Å; K761-N783 PolarHBondContact N-OD1 2.9Å
762V95.4Very high94.3Very high1 Ų139.6 Ų39.61%0.00619%0.19CC..  trans-76.7125.7-176.2-176.60000110.4I739 I742 I757 N760 L765 N783 C784 I785I739-V762 PolarHBondContact O-N 2.97Å; I742-V762 HydrophobicContact CD1-CG1 4.05Å; I742-V762 HydrophobicContact CD1-CG2 4.46Å; I742-V762 HydrophobicContact CG1-CG1 4.22Å; I742-V762 HydrophobicContact CG1-CG2 4.17Å; I757-V762 HydrophobicContact CD1-CG2 3.93Å; I757-V762 HydrophobicContact CG1-CG2 4.4Å; N760-V762 HydrophobicContact CB-CG2 4.45Å; V762-L765 HydrophobicContact CG1-CD2 4.41Å; V762-N783 WeakPolarHBondContact CB-OD1 3.37Å; V762-N783 PolarHBondContact N-OD1 3.4Å; V762-C784 CarbonylContact O-C 3.32Å; V762-C784 VanDerWaalsContact O-C 3.25Å; V762-C784 WeakPolarHBondContact O-CA 3.07Å; V762-C784 PolarHBondContact O-N 3.17Å; V762-I785 HydrophobicContact CG1-CG1 4.48Å; V762-I785 VanDerWaalsContact O-CG1 3.31Å; V762-I785 WeakPolarHBondContact O-CG1 3.47Å; V762-I785 PolarHBondContact O-N 2.72Å
763D92.6Very high94Very high66 Ų6643 Ų4335%0.35321%0.21SC..  trans-98-53172.2169.317.9000111.3I785 T786D763-I785 VanDerWaalsContact O-CA 3.28Å; D763-I785 WeakPolarHBondContact O-CA 3.27Å; D763-T786 PolarHBondContact O-N 3.32Å; D763-T786 VanDerWaalsContact OD1-CG2 3.23Å; D763-T786 WeakPolarHBondContact OD1-CG2 3.49Å; D763-T786 PolarHBondContact OD1-OG1 2.91Å
764I91.7Very high93.9Very high120 Ų12045.6 Ų45.662%0.61522%0.221SC*.BIsolated β-bridgetrans-109.1121.3-172.6-55.6179.1000111.5
765L93.1Very high93.8Very high5 Ų542.6 Ų42.63%0.02621%0.207CC..  trans-77.8123.5171.1-63.8177.9000111.1I742 V762 K767 L769 F770 L780 I785I742-L765 HydrophobicContact CD1-CD2 3.9Å; V762-L765 HydrophobicContact CG1-CD2 4.41Å; L765-K767 PolarHBondContact O-N 3.23Å; L765-L769 HydrophobicContact CD2-CD2 4.33Å; L765-F770 HydrophobicContact CB-CE2 4.48Å; L765-F770 HydrophobicContact CD1-CZ 4.24Å; L765-L780 HydrophobicContact CD1-CD1 3.86Å; L765-L780 HydrophobicContact CD2-CD1 4.19Å; L765-L780 HydrophobicContact CD2-CD2 3.94Å; L765-I785 HydrophobicContact CD1-CD1 4.35Å; L765-I785 HydrophobicContact CD1-CG2 4.2Å; L765-I785 HydrophobicContact CD2-CD1 3.87Å; L765-I785 HydrophobicContact CD2-CG1 4.49Å; L765-I785 HydrophobicContact CG-CD1 4.17Å; L765-I785 HydrophobicContact CG-CG2 4.1Å
766P93.3Very high93.7Very high14 Ų1446.8 Ų46.89%0.09122%0.223CC..  trans-67135.3178.528.1-35.6000110.8I742 V744 I746 Q768 L769I742-P766 HydrophobicContact CB-CG 3.96Å; I742-P766 HydrophobicContact CG2-CG 3.87Å; I742-P766 WeakPolarHBondContact O-CG 3.36Å; V744-P766 HydrophobicContact CG1-CB 4.31Å; I746-P766 HydrophobicContact CG2-CG 3.9Å; P766-Q768 PolarHBondContact O-N 2.92Å; P766-L769 HydrophobicContact CG-CB 4.32Å; P766-L769 WeakPolarHBondContact O-CB 3.32Å; P766-L769 PolarHBondContact O-N 3.31Å
767K90.3Very high93.7Very high137 Ų13745.6 Ų45.660%0.59622%0.219SC*.THydrogen-bonded Turntrans-60-9.5178-65.9176.4-178.5175.60113.4L765L765-K767 PolarHBondContact O-N 3.23Å
768Q93Very high93.7Very high66 Ų6645.6 Ų45.631%0.30822%0.219SC..THydrogen-bonded Turntrans-83.8-25.8176.6-69.181.6-18.200113.5V744 I746 G747 P766 F770 K771V744-Q768 HydrophobicContact CB-CG 4.14Å; V744-Q768 WeakPolarHBondContact O-CB 3.39Å; V744-Q768 WeakPolarHBondContact O-CG 3.29Å; I746-Q768 HydrophobicContact CG2-CB 4.26Å; G747-Q768 VanDerWaalsContact CA-O 3.28Å; G747-Q768 WeakPolarHBondContact CA-O 3.38Å; P766-Q768 PolarHBondContact O-N 2.92Å; Q768-F770 PolarHBondContact O-N 2.89Å; Q768-K771 VanDerWaalsContact O-CB 3.27Å; Q768-K771 WeakPolarHBondContact O-CB 3.27Å; Q768-K771 PolarHBondContact O-N 3.07Å
769L92.9Very high93.7Very high0 Ų045.7 Ų45.70%022%0.22CC..G310 helixtrans-55.2-40.7176.3171.462.9000111.2I746 F755 L765 P766 K771 C772 L775 L778I746-L769 HydrophobicContact CD1-CD1 4.39Å; I746-L769 HydrophobicContact CG1-CB 4.48Å; I746-L769 HydrophobicContact CG1-CD1 3.71Å; I746-L769 HydrophobicContact CG2-CB 4.13Å; F755-L769 HydrophobicContact CD1-CD1 3.9Å; F755-L769 HydrophobicContact CE1-CD1 4.13Å; L765-L769 HydrophobicContact CD2-CD2 4.33Å; P766-L769 HydrophobicContact CG-CB 4.32Å; P766-L769 WeakPolarHBondContact O-CB 3.32Å; P766-L769 PolarHBondContact O-N 3.31Å; L769-K771 PolarHBondContact O-N 2.84Å; L769-K771 VanDerWaalsContact O-N 3.1Å; L769-C772 WeakPolarHBondContact O-CB 3.44Å; L769-C772 PolarHBondContact O-N 3.48Å; L769-L775 HydrophobicContact CD1-CD1 4.08Å; L769-L778 HydrophobicContact CD2-CD1 4.34Å; L769-L778 HydrophobicContact CD2-CD2 4.36Å
770F91.4Very high93.7Very high2 Ų245.1 Ų45.11%0.00921%0.214CC..G310 helixtrans-70.7-2.2-180-51.7-73000114.4L765 Q768 C772 P789 K791 V792 L795L765-F770 HydrophobicContact CB-CE2 4.48Å; L765-F770 HydrophobicContact CD1-CZ 4.24Å; Q768-F770 PolarHBondContact O-N 2.89Å; F770-C772 VanDerWaalsContact C-N 3.29Å; F770-P789 HydrophobicContact CD2-CB 4.44Å; F770-P789 HydrophobicContact CE2-CB 3.93Å; F770-P789 HydrophobicContact CE2-CG 3.81Å; F770-P789 HydrophobicContact CZ-CG 4.39Å; F770-K791 HydrophobicContact CB-CB 3.67Å; F770-K791 HydrophobicContact CD2-CB 3.97Å; F770-K791 HydrophobicContact CG-CB 3.82Å; F770-V792 HydrophobicContact CD1-CB 4.14Å; F770-V792 HydrophobicContact CE1-CB 3.81Å; F770-V792 HydrophobicContact CE1-CG2 4.1Å; F770-L795 HydrophobicContact CD1-CD1 3.94Å; F770-L795 HydrophobicContact CD1-CG 4.25Å; F770-L795 HydrophobicContact CE1-CD1 4.44Å
771K90.9Very high93.6Very high121 Ų12144.6 Ų44.653%0.52621%0.211SC..G310 helixtrans-76.4-14.2166.5-64.7-174.3171.8-172.30112.9Q750 Q768 L769 V773Q750-K771 PolarHBondContact NE2-O 3.18Å; Q750-K771 PolarHBondContact OE1-O 3.42Å; Q768-K771 VanDerWaalsContact O-CB 3.27Å; Q768-K771 WeakPolarHBondContact O-CB 3.27Å; Q768-K771 PolarHBondContact O-N 3.07Å; L769-K771 PolarHBondContact O-N 2.84Å; L769-K771 VanDerWaalsContact O-N 3.1Å; K771-V773 PolarHBondContact O-N 3.46Å
772C93Very high93.6Very high0 Ų044.1 Ų44.10%021%0.21CC..  trans-80.366.8179.9-64.60000111I746 L749 L769 F770 K774 L775 L795I746-C772 PolarHBondContact O-SG 2.9Å; L749-C772 PolarHBondContact O-SG 2.85Å; L769-C772 WeakPolarHBondContact O-CB 3.44Å; L769-C772 PolarHBondContact O-N 3.48Å; F770-C772 VanDerWaalsContact C-N 3.29Å; C772-K774 PolarHBondContact O-N 3.47Å; C772-L775 HydrophobicContact CB-CD1 3.71Å; C772-L775 HydrophobicContact CB-CG 3.85Å; C772-L775 WeakPolarHBondContact O-CB 3.45Å; C772-L775 WeakPolarHBondContact O-CG 3.47Å; C772-L775 PolarHBondContact O-N 3.31Å; C772-L795 WeakPolarHBondContact O-CD2 3.46Å
773V90.2Very high93.6Very high72 Ų7244.6 Ų44.644%0.43621%0.213SC..THydrogen-bonded Turntrans-59.8-9.1-170.9-62.80000115.9K771K771-V773 PolarHBondContact O-N 3.46Å
774K94.4Very high93.7Very high95 Ų9544.3 Ų44.341%0.41322%0.215SC..THydrogen-bonded Turntrans-92.6-1.7175.1-58.2-170.3-166.7174.30114Q750 N751 L752 Q753 C772 R776Q750-K774 WeakPolarHBondContact O-CD 3.41Å; N751-K774 PolarHBondContact OD1-NZ 2.78Å; L752-K774 CarbonylContact O-C 3.54Å; Q753-K774 HydrophobicContact CG-CB 4.29Å; C772-K774 PolarHBondContact O-N 3.47Å; K774-R776 PolarHBondContact O-N 3.32Å
775L95.3Very high93.8Very high0 Ų038.6 Ų38.60%019%0.186CC..  trans-56.8124.9176.9-81.4170000111L752 F755 L769 C772 L795 Q797 L798L752-L775 HydrophobicContact CB-CD2 4.41Å; L752-L775 HydrophobicContact CD2-CD2 4.16Å; L752-L775 HydrophobicContact CG-CD2 3.99Å; L752-L775 PolarHBondContact O-N 3.28Å; L752-L775 VanDerWaalsContact O-N 3.16Å; F755-L775 HydrophobicContact CB-CD2 3.97Å; L769-L775 HydrophobicContact CD1-CD1 4.08Å; C772-L775 HydrophobicContact CB-CD1 3.71Å; C772-L775 HydrophobicContact CB-CG 3.85Å; C772-L775 WeakPolarHBondContact O-CB 3.45Å; C772-L775 WeakPolarHBondContact O-CG 3.47Å; C772-L775 PolarHBondContact O-N 3.31Å; L775-L795 HydrophobicContact CB-CD1 4.32Å; L775-L795 HydrophobicContact CB-CD2 4.33Å; L775-L795 HydrophobicContact CD1-CD1 3.97Å; L775-L795 HydrophobicContact CD1-CD2 4.24Å; L775-Q797 CarbonylContact O-C 3.56Å; L775-L798 VanDerWaalsContact O-CA 3.31Å; L775-L798 WeakPolarHBondContact O-CA 3.4Å; L775-L798 PolarHBondContact O-N 3.14Å; L775-L798 VanDerWaalsContact O-N 3.11Å
776R95.4Very high93.8Very high87 Ų8741.5 Ų41.533%0.32820%0.204SC..  trans-105.2-41.8173.4-58-176.3179.2-74.21.8111.1Q753 K774 Q797 T799 H800Q753-R776 HydrophobicContact CB-CG 4.4Å; Q753-R776 WeakPolarHBondContact O-CA 3.32Å; Q753-R776 PolarHBondContact O-N 2.92Å; K774-R776 PolarHBondContact O-N 3.32Å; R776-Q797 WeakPolarHBondContact CA-O 3.42Å; R776-T799 PolarHBondContact O-N 3.17Å; R776-T799 PolarHBondContact O-OG1 3.35Å; R776-H800 PolarHBondContact O-N 3.48Å
777T96.2Very high93.7Very high21 Ų2144.2 Ų44.213%0.12922%0.223CC..EExtended strand (participates in β ladder)trans-123.1123.5-177.8-48.20000109.8Q753 H754 F755 H756 H800Q753-T777 PolarHBondContact O-N 2.85Å; H754-T777 WeakPolarHBondContact CA-O 3.19Å; H754-T777 WeakPolarHBondContact ND1-CB 2.92Å; H754-T777 PolarHBondContact ND1-OG1 3.22Å; F755-T777 PolarHBondContact N-O 2.97Å; H756-T777 VanDerWaalsContact CE1-CG2 3.5Å; H756-T777 WeakPolarHBondContact CE1-CG2 3.4Å; T777-H800 WeakPolarHBondContact CA-O 3.38Å; T777-H800 HydrophobicContact CG2-CB 4.22Å
778L96.4Very high93.8Very high1 Ų138.5 Ų38.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-128.5100.8175.718053.5000109.1F755 L769 L780 L795 L798 H800 L801 E802F755-L778 HydrophobicContact CB-CD1 4.31Å; F755-L778 HydrophobicContact CD1-CD1 3.69Å; F755-L778 HydrophobicContact CG-CD1 4.45Å; L769-L778 HydrophobicContact CD2-CD1 4.34Å; L769-L778 HydrophobicContact CD2-CD2 4.36Å; L778-L780 HydrophobicContact CD1-CD1 4.17Å; L778-L780 HydrophobicContact CD1-CD2 3.9Å; L778-L780 HydrophobicContact CD1-CG 3.9Å; L778-L780 HydrophobicContact CD2-CD1 4.05Å; L778-L780 HydrophobicContact CG-CD1 3.84Å; L778-L780 HydrophobicContact CG-CD2 4.44Å; L778-L780 HydrophobicContact CG-CG 3.9Å; L778-L795 HydrophobicContact CD2-CD1 4.26Å; L778-L798 HydrophobicContact CB-CD1 3.87Å; L778-H800 PolarHBondContact N-O 3.45Å; L778-L801 HydrophobicContact CB-CD1 4Å; L778-L801 HydrophobicContact CD2-CD1 3.98Å; L778-L801 HydrophobicContact CG-CD1 3.94Å; L778-L801 WeakPolarHBondContact O-CA 3.2Å; L778-E802 PolarHBondContact O-N 3.32Å
779S96.3Very high93.7Very high8 Ų836.6 Ų36.66%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-100.4109.8179.7-81.80000110.8F755 H756 I757 T758 E802F755-S779 PolarHBondContact O-N 2.65Å; H756-S779 VanDerWaalsContact ND1-CB 3.31Å; H756-S779 WeakPolarHBondContact ND1-CB 3.32Å; H756-S779 PolarHBondContact ND1-OG 3.42Å; H756-S779 VanDerWaalsContact ND1-OG 3.16Å; I757-S779 PolarHBondContact N-O 2.95Å; T758-S779 WeakPolarHBondContact OG1-CB 3.33Å; S779-E802 WeakPolarHBondContact CB-OE2 3.39Å; S779-E802 PolarHBondContact OG-OE2 3.08Å
780L95.3Very high93.4Very high3 Ų343.5 Ų43.52%0.01623%0.225CC..  trans-123.68.6-175.2-61.1171.3000112.5I757 L765 L778 N783 I785 L801 E802 L803 N806I757-L780 HydrophobicContact CG2-CD2 3.57Å; L765-L780 HydrophobicContact CD1-CD1 3.86Å; L765-L780 HydrophobicContact CD2-CD1 4.19Å; L765-L780 HydrophobicContact CD2-CD2 3.94Å; L778-L780 HydrophobicContact CD1-CD1 4.17Å; L778-L780 HydrophobicContact CD1-CD2 3.9Å; L778-L780 HydrophobicContact CD1-CG 3.9Å; L778-L780 HydrophobicContact CD2-CD1 4.05Å; L778-L780 HydrophobicContact CG-CD1 3.84Å; L778-L780 HydrophobicContact CG-CD2 4.44Å; L778-L780 HydrophobicContact CG-CG 3.9Å; L780-N783 PolarHBondContact O-ND2 3.03Å; L780-I785 HydrophobicContact CB-CD1 3.84Å; L780-I785 HydrophobicContact CD1-CD1 4.27Å; L780-I785 HydrophobicContact CD2-CD1 4.32Å; L780-I785 HydrophobicContact CG-CD1 4.38Å; L780-L801 HydrophobicContact CD1-CD1 4.45Å; L780-E802 CarbonylContact C-O 3.59Å; L780-E802 WeakPolarHBondContact CA-O 3.41Å; L780-E802 WeakPolarHBondContact CB-O 3.44Å; L780-E802 PolarHBondContact N-O 3.16Å; L780-L803 HydrophobicContact CB-CD2 4.22Å; L780-L803 HydrophobicContact CD1-CD2 3.86Å; L780-N806 PolarHBondContact O-ND2 3.05Å
781G93.1Very high93.4Very high0 Ų047.9 Ų47.90%024%0.244CC..  trans-61.7163.9-175.300000113.3T758 G759 N783 E802 K804T758-G781 CarbonylContact C-O 3.09Å; T758-G781 WeakPolarHBondContact CA-O 3.36Å; T758-G781 WeakPolarHBondContact CG2-O 3.33Å; T758-G781 PolarHBondContact OG1-N 3.38Å; G759-G781 PolarHBondContact N-O 2.89Å; G781-N783 PolarHBondContact O-N 3.38Å; G781-N783 PolarHBondContact O-ND2 3.3Å; G781-E802 PolarHBondContact N-O 3.44Å; G781-K804 CarbonylContact C-O 3.14Å; G781-K804 WeakPolarHBondContact CA-O 3.44Å
782Q94.6Very high93.3Very high108 Ų10842.1 Ų42.151%0.50522%0.219SC..SBendtrans48.456.9178.5-58.7178.913.300112.5T758 G759 N760 K804 G805T758-Q782 HydrophobicContact CG2-CB 4.48Å; G759-Q782 CarbonylContact C-O 3.25Å; G759-Q782 WeakPolarHBondContact CA-O 3.38Å; G759-Q782 PolarHBondContact N-O 3.18Å; G759-Q782 VanDerWaalsContact N-O 3.16Å; N760-Q782 PolarHBondContact N-O 3.08Å; Q782-K804 PolarHBondContact N-O 3.47Å; Q782-G805 CarbonylContact C-O 3.22Å; Q782-G805 WeakPolarHBondContact CA-O 3.28Å; Q782-G805 PolarHBondContact N-O 2.82Å; Q782-G805 VanDerWaalsContact N-O 3.13Å
783N95.7Very high93Very high10 Ų1042.2 Ų42.25%0.05322%0.22CC..SBendtrans-134.2-171.1176.3-87.9-89000108.9I757 N760 K761 V762 L780 G781 I785 G805 N806I757-N783 PolarHBondContact O-ND2 3.15Å; N760-N783 WeakPolarHBondContact CA-OD1 3.48Å; N760-N783 WeakPolarHBondContact CB-OD1 3.43Å; N760-N783 PolarHBondContact O-OD1 2.89Å; K761-N783 PolarHBondContact N-OD1 2.9Å; V762-N783 WeakPolarHBondContact CB-OD1 3.37Å; V762-N783 PolarHBondContact N-OD1 3.4Å; L780-N783 PolarHBondContact O-ND2 3.03Å; G781-N783 PolarHBondContact O-N 3.38Å; G781-N783 PolarHBondContact O-ND2 3.3Å; N783-I785 HydrophobicContact CB-CD1 4.2Å; N783-I785 HydrophobicContact CB-CG1 4.07Å; N783-G805 PolarHBondContact N-O 2.93Å; N783-G805 VanDerWaalsContact O-O 3.13Å; N783-N806 WeakPolarHBondContact CA-OD1 3.49Å; N783-N806 WeakPolarHBondContact CB-OD1 3.39Å; N783-N806 PolarHBondContact O-OD1 3.32Å
784C94.4Very high93Very high60 Ų6043.5 Ų43.541%0.40522%0.221SC..  trans-108.122.6-178.8-58.80000112.3V762 T786 N806V762-C784 CarbonylContact O-C 3.32Å; V762-C784 VanDerWaalsContact O-C 3.25Å; V762-C784 WeakPolarHBondContact O-CA 3.07Å; V762-C784 PolarHBondContact O-N 3.17Å; C784-T786 PolarHBondContact O-N 3.5Å; C784-N806 PolarHBondContact N-OD1 2.81Å
785I95.2Very high92.9Very high1 Ų139 Ų391%0.00520%0.201CC..  trans-67.5121.2-165-58.4165.2000110.8V762 D763 L765 L780 N783 S787 N806 C807 L808V762-I785 HydrophobicContact CG1-CG1 4.48Å; V762-I785 VanDerWaalsContact O-CG1 3.31Å; V762-I785 WeakPolarHBondContact O-CG1 3.47Å; V762-I785 PolarHBondContact O-N 2.72Å; D763-I785 VanDerWaalsContact O-CA 3.28Å; D763-I785 WeakPolarHBondContact O-CA 3.27Å; L765-I785 HydrophobicContact CD1-CD1 4.35Å; L765-I785 HydrophobicContact CD1-CG2 4.2Å; L765-I785 HydrophobicContact CD2-CD1 3.87Å; L765-I785 HydrophobicContact CD2-CG1 4.49Å; L765-I785 HydrophobicContact CG-CD1 4.17Å; L765-I785 HydrophobicContact CG-CG2 4.1Å; L780-I785 HydrophobicContact CB-CD1 3.84Å; L780-I785 HydrophobicContact CD1-CD1 4.27Å; L780-I785 HydrophobicContact CD2-CD1 4.32Å; L780-I785 HydrophobicContact CG-CD1 4.38Å; N783-I785 HydrophobicContact CB-CD1 4.2Å; N783-I785 HydrophobicContact CB-CG1 4.07Å; I785-S787 WeakPolarHBondContact CG2-O 3.36Å; I785-N806 HydrophobicContact CB-CB 4.27Å; I785-N806 VanDerWaalsContact CB-OD1 3.25Å; I785-N806 WeakPolarHBondContact CB-OD1 3.43Å; I785-N806 VanDerWaalsContact CG1-OD1 3.27Å; I785-N806 WeakPolarHBondContact CG1-OD1 3.27Å; I785-N806 PolarHBondContact N-OD1 2.92Å; I785-C807 CarbonylContact O-C 3.5Å; I785-C807 WeakPolarHBondContact O-CA 3.22Å; I785-C807 PolarHBondContact O-N 3.18Å; I785-C807 VanDerWaalsContact O-N 3.07Å; I785-L808 HydrophobicContact CG2-CD2 3.98Å; I785-L808 WeakPolarHBondContact O-CD2 3.46Å; I785-L808 PolarHBondContact O-N 3.19Å
786T92.1Very high92.6Very high66 Ų6643.6 Ų43.641%0.40523%0.225SC..  trans-85.4-32.4-17846.20000113.4D763 C784 C807D763-T786 PolarHBondContact O-N 3.32Å; D763-T786 VanDerWaalsContact OD1-CG2 3.23Å; D763-T786 WeakPolarHBondContact OD1-CG2 3.49Å; D763-T786 PolarHBondContact OD1-OG1 2.91Å; C784-T786 PolarHBondContact O-N 3.5Å; T786-C807 WeakPolarHBondContact CA-O 3.47Å
787S91.3Very high92.4Very high71 Ų7142.9 Ų42.950%0.49723%0.226SC..BIsolated β-bridgetrans-154.3150.3178.260.80000113.8I785I785-S787 WeakPolarHBondContact CG2-O 3.36Å
788I92.1Very high92.3Very high16 Ų1641.9 Ų41.98%0.08222%0.22CC..  trans-101.9119.2172.8-54.6170.9000108.6V792 L803 L808 L811 P812I788-V792 HydrophobicContact CG2-CB 3.94Å; I788-V792 HydrophobicContact CG2-CG1 4.01Å; I788-V792 HydrophobicContact CG2-CG2 4.36Å; I788-L803 HydrophobicContact CD1-CD1 3.44Å; I788-L803 VanDerWaalsContact CD1-CD1 3.44Å; I788-L803 HydrophobicContact CD1-CD2 3.62Å; I788-L803 HydrophobicContact CD1-CG 4.17Å; I788-L803 HydrophobicContact CG1-CD2 4.27Å; I788-L808 HydrophobicContact CD1-CD1 3.98Å; I788-L808 HydrophobicContact CD1-CD2 4.42Å; I788-L808 HydrophobicContact CG1-CD1 4.29Å; I788-L808 HydrophobicContact CG1-CD2 3.87Å; I788-L811 HydrophobicContact CD1-CD2 3.89Å; I788-P812 HydrophobicContact CB-CG 4.04Å; I788-P812 HydrophobicContact CG2-CG 4.03Å
789P91Very high92.2Very high26 Ų2644.6 Ų44.617%0.16924%0.237CC..  trans-60.1139.4175-26.636.4000112.7F770 K791 V792F770-P789 HydrophobicContact CD2-CB 4.44Å; F770-P789 HydrophobicContact CE2-CB 3.93Å; F770-P789 HydrophobicContact CE2-CG 3.81Å; F770-P789 HydrophobicContact CZ-CG 4.39Å; P789-K791 PolarHBondContact O-N 3.05Å; P789-V792 PolarHBondContact O-N 2.97Å
790E88.1Confident92.1Very high145 Ų14547 Ų4768%0.67825%0.246SC*.G310 helixtrans-51.8-21.5178.2-61.9179.7146.100114.3V792 G793 T814E790-V792 PolarHBondContact O-N 2.96Å; E790-G793 PolarHBondContact O-N 3.41Å; E790-T814 WeakPolarHBondContact CA-OG1 3.45Å; E790-T814 HydrophobicContact CB-CG2 4.1Å; E790-T814 VanDerWaalsContact O-CB 3.3Å; E790-T814 WeakPolarHBondContact O-CB 3.42Å; E790-T814 PolarHBondContact O-OG1 3.25Å
791K89.8Confident92.1Very high94 Ų9446.9 Ų46.941%0.40925%0.246SC..G310 helixtrans-60.8-10174-62-164.8176.4-166.10114.3F770 P789 G793 Q794F770-K791 HydrophobicContact CB-CB 3.67Å; F770-K791 HydrophobicContact CD2-CB 3.97Å; F770-K791 HydrophobicContact CG-CB 3.82Å; P789-K791 PolarHBondContact O-N 3.05Å; K791-G793 PolarHBondContact O-N 3.33Å; K791-Q794 HydrophobicContact CB-CG 4.48Å; K791-Q794 VanDerWaalsContact O-CB 3.23Å; K791-Q794 WeakPolarHBondContact O-CB 3.48Å; K791-Q794 WeakPolarHBondContact O-CG 3.46Å; K791-Q794 PolarHBondContact O-N 2.88Å
792V90.1Very high92.2Very high1 Ų149.2 Ų49.21%0.00626%0.257CS..G310 helixtrans-52.7-35.4171.368.20000112.7F770 I788 P789 E790 Q794 L795 L798 L801 P812 L815 C818F770-V792 HydrophobicContact CD1-CB 4.14Å; F770-V792 HydrophobicContact CE1-CB 3.81Å; F770-V792 HydrophobicContact CE1-CG2 4.1Å; I788-V792 HydrophobicContact CG2-CB 3.94Å; I788-V792 HydrophobicContact CG2-CG1 4.01Å; I788-V792 HydrophobicContact CG2-CG2 4.36Å; P789-V792 PolarHBondContact O-N 2.97Å; E790-V792 PolarHBondContact O-N 2.96Å; V792-Q794 PolarHBondContact O-N 3.13Å; V792-L795 WeakPolarHBondContact O-CB 3.45Å; V792-L795 PolarHBondContact O-N 2.92Å; V792-L798 HydrophobicContact CG2-CD2 4.49Å; V792-L801 HydrophobicContact CG2-CD2 4.32Å; V792-P812 HydrophobicContact CG1-CG 3.72Å; V792-L815 HydrophobicContact CB-CD2 4.42Å; V792-L815 HydrophobicContact CG1-CD2 3.79Å; V792-L815 HydrophobicContact CG1-CG 3.95Å; V792-L815 HydrophobicContact CG2-CD2 3.72Å; V792-C818 PolarHBondContact O-SG 3.04Å
793G86.6Confident92.2Very high2 Ų244.3 Ų44.32%0.02123%0.234CC..G310 helixtrans-61.9-12.4174.600000115.5E790 K791 L795 T814E790-G793 PolarHBondContact O-N 3.41Å; K791-G793 PolarHBondContact O-N 3.33Å; G793-L795 VanDerWaalsContact C-N 3.27Å; G793-T814 VanDerWaalsContact CA-O 3.27Å; G793-T814 WeakPolarHBondContact CA-O 3.27Å
794Q89.8Confident92.1Very high99 Ų9949.4 Ų49.446%0.46326%0.256SS..G310 helixtrans-77.1-13.8174-56.4-174.2-32.900112.4K791 V792 L796K791-Q794 HydrophobicContact CB-CG 4.48Å; K791-Q794 VanDerWaalsContact O-CB 3.23Å; K791-Q794 WeakPolarHBondContact O-CB 3.48Å; K791-Q794 WeakPolarHBondContact O-CG 3.46Å; K791-Q794 PolarHBondContact O-N 2.88Å; V792-Q794 PolarHBondContact O-N 3.13Å; Q794-L796 VanDerWaalsContact C-N 3.28Å; Q794-L796 PolarHBondContact O-N 3.4Å
795L91.6Very high91.9Very high0 Ų048 Ų480%025%0.252CS..  trans-84.566.5178.6-58.5-176.1000111.3F770 C772 L775 L778 V792 G793 Q797 L798F770-L795 HydrophobicContact CD1-CD1 3.94Å; F770-L795 HydrophobicContact CD1-CG 4.25Å; F770-L795 HydrophobicContact CE1-CD1 4.44Å; C772-L795 WeakPolarHBondContact O-CD2 3.46Å; L775-L795 HydrophobicContact CB-CD1 4.32Å; L775-L795 HydrophobicContact CB-CD2 4.33Å; L775-L795 HydrophobicContact CD1-CD1 3.97Å; L775-L795 HydrophobicContact CD1-CD2 4.24Å; L778-L795 HydrophobicContact CD2-CD1 4.26Å; V792-L795 WeakPolarHBondContact O-CB 3.45Å; V792-L795 PolarHBondContact O-N 2.92Å; G793-L795 VanDerWaalsContact C-N 3.27Å; L795-Q797 PolarHBondContact O-N 3.46Å; L795-L798 HydrophobicContact CB-CB 3.99Å; L795-L798 HydrophobicContact CB-CD2 4.41Å; L795-L798 HydrophobicContact CD1-CD1 4.48Å; L795-L798 HydrophobicContact CD1-CD2 4.43Å; L795-L798 WeakPolarHBondContact O-CB 3.21Å; L795-L798 PolarHBondContact O-N 3.48Å
796L89.4Confident91.9Very high96 Ų9648.9 Ų48.950%0.50326%0.257SS..THydrogen-bonded Turntrans-61.5-12-177.6-58.7179.1000114.9Q794 Q817Q794-L796 VanDerWaalsContact C-N 3.28Å; Q794-L796 PolarHBondContact O-N 3.4Å; L796-Q817 WeakPolarHBondContact CD2-O 3.31Å
797Q92.6Very high91.8Very high73 Ų7349.6 Ų49.634%0.34126%0.264SS..THydrogen-bonded Turntrans-99-1.5176.8-68.6-62.6-77.700114.2L775 R776 L795 T799L775-Q797 CarbonylContact O-C 3.56Å; R776-Q797 WeakPolarHBondContact CA-O 3.42Å; L795-Q797 PolarHBondContact O-N 3.46Å; Q797-T799 PolarHBondContact O-N 3.42Å
798L93.8Very high91.8Very high0 Ų046.7 Ų46.70%024%0.242CC..  trans-69.5122.2-174.7-165.670.8000110.7L775 L778 V792 L795 L801 L820 L821L775-L798 VanDerWaalsContact O-CA 3.31Å; L775-L798 WeakPolarHBondContact O-CA 3.4Å; L775-L798 PolarHBondContact O-N 3.14Å; L775-L798 VanDerWaalsContact O-N 3.11Å; L778-L798 HydrophobicContact CB-CD1 3.87Å; V792-L798 HydrophobicContact CG2-CD2 4.49Å; L795-L798 HydrophobicContact CB-CB 3.99Å; L795-L798 HydrophobicContact CB-CD2 4.41Å; L795-L798 HydrophobicContact CD1-CD1 4.48Å; L795-L798 HydrophobicContact CD1-CD2 4.43Å; L795-L798 WeakPolarHBondContact O-CB 3.21Å; L795-L798 PolarHBondContact O-N 3.48Å; L798-L801 HydrophobicContact CD2-CB 4.08Å; L798-L801 HydrophobicContact CD2-CD2 4.09Å; L798-L801 HydrophobicContact CD2-CG 4.47Å; L798-L820 CarbonylContact O-C 3.59Å; L798-L821 WeakPolarHBondContact O-CA 3.25Å; L798-L821 PolarHBondContact O-N 3.47Å
799T93.4Very high91.6Very high58 Ų5852.6 Ų52.636%0.35627%0.274SS..  trans-111.6-25.1176.854.80000112.7R776 Q797 L820 G825R776-T799 PolarHBondContact O-N 3.17Å; R776-T799 PolarHBondContact O-OG1 3.35Å; Q797-T799 PolarHBondContact O-N 3.42Å; T799-L820 HydrophobicContact CG2-CB 3.98Å; T799-G825 WeakPolarHBondContact O-CA 3.49Å
800H95.1Very high91.5Very high57 Ų5760.8 Ų60.826%0.26430%0.302SS..EExtended strand (participates in β ladder)trans-138.6129.5-179.8-173.492.6000111.4R776 T777 L778 G825R776-H800 PolarHBondContact O-N 3.48Å; T777-H800 WeakPolarHBondContact CA-O 3.38Å; T777-H800 HydrophobicContact CG2-CB 4.22Å; L778-H800 PolarHBondContact N-O 3.45Å; H800-G825 CarbonylContact C-O 3.4Å; H800-G825 WeakPolarHBondContact CA-O 3.44Å; H800-G825 PolarHBondContact ND1-O 3.43Å
801L95Very high91.6Very high2 Ų254.3 Ų54.31%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-138.1107.6-178.6177.656.5000109L778 L780 V792 L798 L803 L815 L821 G825 L826 V827L778-L801 HydrophobicContact CB-CD1 4Å; L778-L801 HydrophobicContact CD2-CD1 3.98Å; L778-L801 HydrophobicContact CG-CD1 3.94Å; L778-L801 WeakPolarHBondContact O-CA 3.2Å; L780-L801 HydrophobicContact CD1-CD1 4.45Å; V792-L801 HydrophobicContact CG2-CD2 4.32Å; L798-L801 HydrophobicContact CD2-CB 4.08Å; L798-L801 HydrophobicContact CD2-CD2 4.09Å; L798-L801 HydrophobicContact CD2-CG 4.47Å; L801-L803 HydrophobicContact CD1-CD1 4.27Å; L801-L803 HydrophobicContact CD1-CD2 4.17Å; L801-L803 HydrophobicContact CD1-CG 4.06Å; L801-L803 HydrophobicContact CD2-CD1 3.89Å; L801-L803 HydrophobicContact CG-CD1 3.77Å; L801-L803 HydrophobicContact CG-CG 3.97Å; L801-L815 HydrophobicContact CD2-CD2 3.58Å; L801-L821 HydrophobicContact CB-CD1 4.1Å; L801-L821 HydrophobicContact CD2-CD2 4.41Å; L801-G825 PolarHBondContact N-O 3.5Å; L801-L826 HydrophobicContact CB-CD1 4.12Å; L801-L826 HydrophobicContact CD2-CD1 3.94Å; L801-L826 HydrophobicContact CG-CD1 4.07Å; L801-V827 PolarHBondContact O-N 2.78Å
802E95.4Very high91.6Very high49 Ų4950.8 Ų50.823%0.22926%0.258CS..EExtended strand (participates in β ladder)trans-102.3125.5177.8170.4-168-143.300110.1T758 L778 S779 L780 G781 V827T758-E802 PolarHBondContact OG1-OE2 3.46Å; L778-E802 PolarHBondContact O-N 3.32Å; S779-E802 WeakPolarHBondContact CB-OE2 3.39Å; S779-E802 PolarHBondContact OG-OE2 3.08Å; L780-E802 CarbonylContact C-O 3.59Å; L780-E802 WeakPolarHBondContact CA-O 3.41Å; L780-E802 WeakPolarHBondContact CB-O 3.44Å; L780-E802 PolarHBondContact N-O 3.16Å; G781-E802 PolarHBondContact N-O 3.44Å; E802-V827 HydrophobicContact CB-CB 4.13Å; E802-V827 HydrophobicContact CG-CB 4.27Å; E802-V827 HydrophobicContact CG-CG1 4.38Å
803L94.1Very high91.5Very high4 Ų453.2 Ų53.22%0.02128%0.279CS..  trans-135.2-8.2-173.1-67.7163.8000113L780 I788 L801 N806 L808 L811 L826 V827 V828L780-L803 HydrophobicContact CB-CD2 4.22Å; L780-L803 HydrophobicContact CD1-CD2 3.86Å; I788-L803 HydrophobicContact CD1-CD1 3.44Å; I788-L803 VanDerWaalsContact CD1-CD1 3.44Å; I788-L803 HydrophobicContact CD1-CD2 3.62Å; I788-L803 HydrophobicContact CD1-CG 4.17Å; I788-L803 HydrophobicContact CG1-CD2 4.27Å; L801-L803 HydrophobicContact CD1-CD1 4.27Å; L801-L803 HydrophobicContact CD1-CD2 4.17Å; L801-L803 HydrophobicContact CD1-CG 4.06Å; L801-L803 HydrophobicContact CD2-CD1 3.89Å; L801-L803 HydrophobicContact CG-CD1 3.77Å; L801-L803 HydrophobicContact CG-CG 3.97Å; L803-N806 WeakPolarHBondContact O-CB 3.49Å; L803-N806 PolarHBondContact O-ND2 3.44Å; L803-L808 HydrophobicContact CB-CD1 4.21Å; L803-L808 HydrophobicContact CD2-CD1 4.33Å; L803-L811 HydrophobicContact CD1-CD2 4.12Å; L803-L826 HydrophobicContact CD1-CD1 4.22Å; L803-V827 PolarHBondContact N-O 3.24Å; L803-V828 HydrophobicContact CB-CG1 4.01Å; L803-V828 HydrophobicContact CD1-CG1 3.72Å; L803-V828 HydrophobicContact CG-CG1 4.46Å
804K92.8Very high91.6Very high117 Ų11754.4 Ų54.451%0.50929%0.285SS..  trans-55.8137.6-178-177.2166.5-173.81670112.9G781 Q782 V827 E829G781-K804 CarbonylContact C-O 3.14Å; G781-K804 WeakPolarHBondContact CA-O 3.44Å; Q782-K804 PolarHBondContact N-O 3.47Å; K804-V827 HydrophobicContact CB-CG1 4.28Å; K804-V827 HydrophobicContact CD-CG1 4.46Å; K804-V827 PolarHBondContact N-O 3.47Å; K804-V827 VanDerWaalsContact N-O 3.11Å; K804-E829 HydrophobicContact CG-CG 4.02Å
805G91Very high91.5Very high32 Ų3249.7 Ų49.733%0.3326%0.263SS..SBendtrans71.754.9-173.600000112.2Q782 N783 E829Q782-G805 CarbonylContact C-O 3.22Å; Q782-G805 WeakPolarHBondContact CA-O 3.28Å; Q782-G805 PolarHBondContact N-O 2.82Å; Q782-G805 VanDerWaalsContact N-O 3.13Å; N783-G805 PolarHBondContact N-O 2.93Å; N783-G805 VanDerWaalsContact O-O 3.13Å; G805-E829 WeakPolarHBondContact CA-OE1 3.5Å; G805-E829 PolarHBondContact N-OE1 2.83Å
806N94.5Very high91.1Very high18 Ų1850.7 Ų50.710%0.09627%0.274CS..SBendtrans-134.8168.5171.4-83.5-78.2000110.2L780 N783 C784 I785 L803 L808L780-N806 PolarHBondContact O-ND2 3.05Å; N783-N806 WeakPolarHBondContact CA-OD1 3.49Å; N783-N806 WeakPolarHBondContact CB-OD1 3.39Å; N783-N806 PolarHBondContact O-OD1 3.32Å; C784-N806 PolarHBondContact N-OD1 2.81Å; I785-N806 HydrophobicContact CB-CB 4.27Å; I785-N806 VanDerWaalsContact CB-OD1 3.25Å; I785-N806 WeakPolarHBondContact CB-OD1 3.43Å; I785-N806 VanDerWaalsContact CG1-OD1 3.27Å; I785-N806 WeakPolarHBondContact CG1-OD1 3.27Å; I785-N806 PolarHBondContact N-OD1 2.92Å; L803-N806 WeakPolarHBondContact O-CB 3.49Å; L803-N806 PolarHBondContact O-ND2 3.44Å; N806-L808 VanDerWaalsContact C-N 3.28Å; N806-L808 HydrophobicContact CB-CD1 4.27Å; N806-L808 HydrophobicContact CB-CG 4.03Å; N806-L808 PolarHBondContact O-N 3.05Å
807C90.9Very high91Very high82 Ų8251.2 Ų51.255%0.55427%0.274SS*.  trans-93.642.9-177.8-60.20000112I785 T786I785-C807 CarbonylContact O-C 3.5Å; I785-C807 WeakPolarHBondContact O-CA 3.22Å; I785-C807 PolarHBondContact O-N 3.18Å; I785-C807 VanDerWaalsContact O-N 3.07Å; T786-C807 WeakPolarHBondContact CA-O 3.47Å
808L91.8Very high90.8Very high9 Ų947.8 Ų47.85%0.04726%0.258CS..  trans-83.4129.4-176.5-64.5171.2000110.8I785 I788 L803 N806 L811 L832I785-L808 HydrophobicContact CG2-CD2 3.98Å; I785-L808 WeakPolarHBondContact O-CD2 3.46Å; I785-L808 PolarHBondContact O-N 3.19Å; I788-L808 HydrophobicContact CD1-CD1 3.98Å; I788-L808 HydrophobicContact CD1-CD2 4.42Å; I788-L808 HydrophobicContact CG1-CD1 4.29Å; I788-L808 HydrophobicContact CG1-CD2 3.87Å; L803-L808 HydrophobicContact CB-CD1 4.21Å; L803-L808 HydrophobicContact CD2-CD1 4.33Å; N806-L808 VanDerWaalsContact C-N 3.28Å; N806-L808 HydrophobicContact CB-CD1 4.27Å; N806-L808 HydrophobicContact CB-CG 4.03Å; N806-L808 PolarHBondContact O-N 3.05Å; L808-L811 HydrophobicContact CD1-CD2 4.24Å; L808-L832 HydrophobicContact CB-CD1 3.83Å; L808-L832 HydrophobicContact CB-CD2 3.96Å; L808-L832 HydrophobicContact CD1-CD1 4.49Å; L808-L832 WeakPolarHBondContact O-CD2 3.49Å
809D87.7Confident90.2Very high141 Ų14157.4 Ų57.475%0.75430%0.295SS*.SBendtrans-81.5-35.4171.3-70.4-44.6000113.1
810R88.8Confident90Very high197 Ų19757.9 Ų57.974%0.74330%0.295SS*.  trans-153154.2-172.6-62.1-173.2-176.7-176.5-0111.9T835R810-T835 HydrophobicContact CG-CG2 4.38Å
811L90Very high89.6Confident10 Ų1055.3 Ų55.35%0.05228%0.283CS..  trans-97.1139.9170.7-61.2179.1000111.3I788 L803 L808 L815 V828 L832 T835 L836I788-L811 HydrophobicContact CD1-CD2 3.89Å; L803-L811 HydrophobicContact CD1-CD2 4.12Å; L808-L811 HydrophobicContact CD1-CD2 4.24Å; L811-L815 HydrophobicContact CB-CD1 4Å; L811-V828 HydrophobicContact CD1-CB 4.37Å; L811-V828 HydrophobicContact CD1-CG1 3.87Å; L811-V828 HydrophobicContact CD1-CG2 4.37Å; L811-V828 HydrophobicContact CD2-CG1 4.27Å; L811-L832 HydrophobicContact CD1-CB 4.27Å; L811-L832 WeakPolarHBondContact CD1-O 3.08Å; L811-L832 HydrophobicContact CD2-CD2 4.4Å; L811-L832 HydrophobicContact CG-CB 4.22Å; L811-L832 HydrophobicContact CG-CD2 4.19Å; L811-T835 PolarHBondContact N-OG1 2.92Å; L811-T835 VanDerWaalsContact N-OG1 3.16Å; L811-L836 HydrophobicContact CB-CD2 3.6Å; L811-L836 HydrophobicContact CB-CG 4.02Å; L811-L836 HydrophobicContact CD1-CD1 4.09Å; L811-L836 HydrophobicContact CD1-CD2 4.48Å; L811-L836 HydrophobicContact CD1-CG 4.15Å
812P90Very high89.3Confident19 Ų1958 Ų5812%0.12329%0.293CS..  trans-74.6134-179.229.5-34.5000111.7I788 V792 T814 L815I788-P812 HydrophobicContact CB-CG 4.04Å; I788-P812 HydrophobicContact CG2-CG 4.03Å; V792-P812 HydrophobicContact CG1-CG 3.72Å; P812-T814 PolarHBondContact O-N 3.22Å; P812-L815 HydrophobicContact CG-CD1 4.33Å; P812-L815 HydrophobicContact CG-CG 4.28Å; P812-L815 WeakPolarHBondContact O-CB 3.06Å; P812-L815 WeakPolarHBondContact O-CG 3.4Å; P812-L815 PolarHBondContact O-N 3.42Å
813A86.7Confident88.8Confident53 Ų5361.2 Ų61.244%0.43831%0.306SS..G310 helixtrans-58.3-22.4179.900000114L815 G816 P837 V840A813-L815 PolarHBondContact O-N 3.09Å; A813-L815 VanDerWaalsContact O-N 3.13Å; A813-G816 PolarHBondContact O-N 3.13Å; A813-P837 HydrophobicContact CB-CG 3.81Å; A813-V840 WeakPolarHBondContact O-CG2 3.45Å
814T88.3Confident88.4Confident26 Ų2666.1 Ų66.116%0.1634%0.34CS..G310 helixtrans-65-10175.257.70000114.1E790 G793 P812 G816 Q817E790-T814 WeakPolarHBondContact CA-OG1 3.45Å; E790-T814 HydrophobicContact CB-CG2 4.1Å; E790-T814 VanDerWaalsContact O-CB 3.3Å; E790-T814 WeakPolarHBondContact O-CB 3.42Å; E790-T814 PolarHBondContact O-OG1 3.25Å; G793-T814 VanDerWaalsContact CA-O 3.27Å; G793-T814 WeakPolarHBondContact CA-O 3.27Å; P812-T814 PolarHBondContact O-N 3.22Å; T814-G816 PolarHBondContact O-N 2.04Å; T814-Q817 VanDerWaalsContact O-CB 3.22Å; T814-Q817 WeakPolarHBondContact O-CB 3.06Å; T814-Q817 WeakPolarHBondContact O-CG 3.32Å; T814-Q817 PolarHBondContact O-N 2.89Å
815L88.1Confident88.1Confident0 Ų060.8 Ų60.80%032%0.318CS..G310 helixtrans-56.5-29.4168.7-77.7166.9000112.8V792 L801 L811 P812 A813 Q817 C818 L821 L836V792-L815 HydrophobicContact CB-CD2 4.42Å; V792-L815 HydrophobicContact CG1-CD2 3.79Å; V792-L815 HydrophobicContact CG1-CG 3.95Å; V792-L815 HydrophobicContact CG2-CD2 3.72Å; L801-L815 HydrophobicContact CD2-CD2 3.58Å; L811-L815 HydrophobicContact CB-CD1 4Å; P812-L815 HydrophobicContact CG-CD1 4.33Å; P812-L815 HydrophobicContact CG-CG 4.28Å; P812-L815 WeakPolarHBondContact O-CB 3.06Å; P812-L815 WeakPolarHBondContact O-CG 3.4Å; P812-L815 PolarHBondContact O-N 3.42Å; A813-L815 PolarHBondContact O-N 3.09Å; A813-L815 VanDerWaalsContact O-N 3.13Å; L815-Q817 PolarHBondContact O-N 2.9Å; L815-Q817 VanDerWaalsContact O-N 3.13Å; L815-C818 WeakPolarHBondContact O-CB 3.19Å; L815-C818 PolarHBondContact O-N 3.31Å; L815-C818 VanDerWaalsContact O-N 3.08Å; L815-L821 HydrophobicContact CD2-CD2 4.15Å; L815-L836 HydrophobicContact CD1-CD2 4.28Å
816G83.5Confident88.1Confident22 Ų2259.7 Ų59.723%0.22731%0.305CS..G310 helixtrans-65-10.3173.100000114.7A813 T814A813-G816 PolarHBondContact O-N 3.13Å; T814-G816 PolarHBondContact O-N 2.04Å
817Q87.4Confident88.1Confident106 Ų10661.3 Ų61.350%0.49532%0.316SS..G310 helixtrans-82.4-19.3174.2-57.1173.5-7.400112L796 T814 L815 R819L796-Q817 WeakPolarHBondContact CD2-O 3.31Å; T814-Q817 VanDerWaalsContact O-CB 3.22Å; T814-Q817 WeakPolarHBondContact O-CB 3.06Å; T814-Q817 WeakPolarHBondContact O-CG 3.32Å; T814-Q817 PolarHBondContact O-N 2.89Å; L815-Q817 PolarHBondContact O-N 2.9Å; L815-Q817 VanDerWaalsContact O-N 3.13Å; Q817-R819 VanDerWaalsContact C-N 3.29Å; Q817-R819 PolarHBondContact O-N 3.43Å
818C87.5Confident88.2Confident2 Ų258.3 Ų58.31%0.01429%0.294CS..  trans-76.274.5176-64.40000111V792 L815 L820 L821V792-C818 PolarHBondContact O-SG 3.04Å; L815-C818 WeakPolarHBondContact O-CB 3.19Å; L815-C818 PolarHBondContact O-N 3.31Å; L815-C818 VanDerWaalsContact O-N 3.08Å; C818-L820 PolarHBondContact O-N 3.41Å; C818-L821 HydrophobicContact CB-CB 3.88Å; C818-L821 HydrophobicContact CB-CD2 4.32Å; C818-L821 WeakPolarHBondContact O-CB 3.34Å; C818-L821 PolarHBondContact O-N 2.84Å
819R82.8Confident88.1Confident202 Ų20260.7 Ų60.776%0.76231%0.305SS*.THydrogen-bonded Turntrans-55.2-13.6-172.5-61.8-174.3-179.1-170.8-1.2116.9Q817Q817-R819 VanDerWaalsContact C-N 3.29Å; Q817-R819 PolarHBondContact O-N 3.43Å
820L88.1Confident88.1Confident68 Ų6860.5 Ų60.536%0.35631%0.305SS..THydrogen-bonded Turntrans-104.6-4.7178-63.8-177.6000113.6L798 T799 C818L798-L820 CarbonylContact O-C 3.59Å; T799-L820 HydrophobicContact CG2-CB 3.98Å; C818-L820 PolarHBondContact O-N 3.41Å
821L87.8Confident88.1Confident3 Ų356.7 Ų56.72%0.01630%0.295CS..  trans-80.9130.7174-174.163.6000108.7L798 L801 L815 C818 L826 L844L798-L821 WeakPolarHBondContact O-CA 3.25Å; L798-L821 PolarHBondContact O-N 3.47Å; L801-L821 HydrophobicContact CB-CD1 4.1Å; L801-L821 HydrophobicContact CD2-CD2 4.41Å; L815-L821 HydrophobicContact CD2-CD2 4.15Å; C818-L821 HydrophobicContact CB-CB 3.88Å; C818-L821 HydrophobicContact CB-CD2 4.32Å; C818-L821 WeakPolarHBondContact O-CB 3.34Å; C818-L821 PolarHBondContact O-N 2.84Å; L821-L826 HydrophobicContact CD1-CB 4.37Å; L821-L826 HydrophobicContact CD2-CD1 4.4Å; L821-L844 HydrophobicContact CB-CD2 4.3Å; L821-L844 HydrophobicContact CD2-CD2 4.24Å; L821-L844 HydrophobicContact CG-CD2 4.03Å; L821-L844 WeakPolarHBondContact O-CD2 3.48Å
822R87.3Confident88Confident59 Ų5956.5 Ų56.522%0.22329%0.294CS..  trans-117.4165.3175.2-55.4-63.2179.2-179.4-2.5109.6S824 G825 L826 Q846 T848R822-S824 PolarHBondContact O-N 3.48Å; R822-G825 WeakPolarHBondContact O-CA 3.25Å; R822-G825 PolarHBondContact O-N 2.83Å; R822-L826 PolarHBondContact O-N 3.06Å; R822-L826 VanDerWaalsContact O-N 3.09Å; R822-Q846 PolarHBondContact NH1-O 3.3Å; R822-T848 PolarHBondContact NH2-OG1 2.88Å
823K85.6Confident87.8Confident116 Ų11656.6 Ų56.650%0.50429%0.292SS..THydrogen-bonded Turntrans-53.4-36.9171179.1168175.6173.40112.9G825 L826 F833 L844 N845K823-G825 PolarHBondContact O-N 3.22Å; K823-L826 PolarHBondContact O-N 3.26Å; K823-F833 HydrophobicContact CD-CE2 4.41Å; K823-F833 HydrophobicContact CD-CZ 4.05Å; K823-F833 HydrophobicContact CG-CE2 4.31Å; K823-F833 HydrophobicContact CG-CZ 4.42Å; K823-L844 PolarHBondContact N-O 3Å; K823-N845 WeakPolarHBondContact CD-OD1 3.27Å
824S86.3Confident87.8Confident106 Ų10659.2 Ų59.274%0.74130%0.299SS*.THydrogen-bonded Turntrans-67.2-18.6174.352.40000114.5R822R822-S824 PolarHBondContact O-N 3.48Å
825G86.6Confident87.8Confident5 Ų560.6 Ų60.65%0.05231%0.308CS..THydrogen-bonded Turntrans-97.5-17.4175.400000114.5T799 H800 L801 R822 K823 V827T799-G825 WeakPolarHBondContact O-CA 3.49Å; H800-G825 CarbonylContact C-O 3.4Å; H800-G825 WeakPolarHBondContact CA-O 3.44Å; H800-G825 PolarHBondContact ND1-O 3.43Å; L801-G825 PolarHBondContact N-O 3.5Å; R822-G825 WeakPolarHBondContact O-CA 3.25Å; R822-G825 PolarHBondContact O-N 2.83Å; K823-G825 PolarHBondContact O-N 3.22Å; G825-V827 PolarHBondContact O-N 3.45Å
826L91.4Very high87.7Confident10 Ų1060.8 Ų60.85%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-95.291.9-177.6-178.659.9000110.8L801 L803 L821 R822 K823 V828 F833 L836 L844L801-L826 HydrophobicContact CB-CD1 4.12Å; L801-L826 HydrophobicContact CD2-CD1 3.94Å; L801-L826 HydrophobicContact CG-CD1 4.07Å; L803-L826 HydrophobicContact CD1-CD1 4.22Å; L821-L826 HydrophobicContact CD1-CB 4.37Å; L821-L826 HydrophobicContact CD2-CD1 4.4Å; R822-L826 PolarHBondContact O-N 3.06Å; R822-L826 VanDerWaalsContact O-N 3.09Å; K823-L826 PolarHBondContact O-N 3.26Å; L826-V828 HydrophobicContact CD1-CG1 3.63Å; L826-V828 HydrophobicContact CG-CG1 3.83Å; L826-V828 HydrophobicContact CG-CG2 4.13Å; L826-V828 PolarHBondContact O-N 3.05Å; L826-F833 HydrophobicContact CD2-CD2 4.16Å; L826-F833 HydrophobicContact CD2-CE2 4.28Å; L826-L836 HydrophobicContact CD2-CD1 4.34Å; L826-L844 HydrophobicContact CD2-CD1 3.87Å
827V93Very high88Confident52 Ų5262.1 Ų62.132%0.31531%0.313SS..EExtended strand (participates in β ladder)trans-8984.4-178.7-173.30000109.9L801 E802 L803 K804 G825L801-V827 PolarHBondContact O-N 2.78Å; E802-V827 HydrophobicContact CB-CB 4.13Å; E802-V827 HydrophobicContact CG-CB 4.27Å; E802-V827 HydrophobicContact CG-CG1 4.38Å; L803-V827 PolarHBondContact N-O 3.24Å; K804-V827 HydrophobicContact CB-CG1 4.28Å; K804-V827 HydrophobicContact CD-CG1 4.46Å; K804-V827 PolarHBondContact N-O 3.47Å; K804-V827 VanDerWaalsContact N-O 3.11Å; G825-V827 PolarHBondContact O-N 3.45Å
828V92.8Very high87.8Confident18 Ų1860.6 Ų60.611%0.10931%0.314CS..  trans-112.8-176.3176.4-67.20000110.7L803 L811 L826 F833L803-V828 HydrophobicContact CB-CG1 4.01Å; L803-V828 HydrophobicContact CD1-CG1 3.72Å; L803-V828 HydrophobicContact CG-CG1 4.46Å; L811-V828 HydrophobicContact CD1-CB 4.37Å; L811-V828 HydrophobicContact CD1-CG1 3.87Å; L811-V828 HydrophobicContact CD1-CG2 4.37Å; L811-V828 HydrophobicContact CD2-CG1 4.27Å; L826-V828 HydrophobicContact CD1-CG1 3.63Å; L826-V828 HydrophobicContact CG-CG1 3.83Å; L826-V828 HydrophobicContact CG-CG2 4.13Å; L826-V828 PolarHBondContact O-N 3.05Å; V828-F833 HydrophobicContact CG2-CB 3.87Å; V828-F833 HydrophobicContact CG2-CD2 4.18Å
829E90.8Very high87.6Confident59 Ų5966.7 Ų66.728%0.27634%0.343SS..  trans-94.8147.2167.1-69.3164.2-145.600109.6K804 G805 H831 L832 F833K804-E829 HydrophobicContact CG-CG 4.02Å; G805-E829 WeakPolarHBondContact CA-OE1 3.5Å; G805-E829 PolarHBondContact N-OE1 2.83Å; E829-H831 VanDerWaalsContact C-N 3.33Å; E829-H831 PolarHBondContact O-N 3.04Å; E829-H831 IonicContact OE2-CE1 3.42Å; E829-H831 PolarHBondContact OE2-CE1 2.91Å; E829-L832 WeakPolarHBondContact O-CA 3.46Å; E829-L832 WeakPolarHBondContact O-CB 3.49Å; E829-L832 PolarHBondContact O-N 3.49Å; E829-F833 PolarHBondContact O-N 3.24Å; E829-F833 VanDerWaalsContact O-N 3.08Å
830D87.8Confident87.7Confident138 Ų13857.8 Ų57.874%0.73831%0.31SS*.Hα-helixtrans-61.1-41.4-166.1-55.6-70.2000112.6L832 F833 D834D830-L832 PolarHBondContact O-N 3.21Å; D830-F833 WeakPolarHBondContact O-CB 3.26Å; D830-F833 PolarHBondContact O-N 3.04Å; D830-F833 VanDerWaalsContact O-N 3.09Å; D830-D834 PolarHBondContact O-N 3.49Å
831H88.2Confident87.5Confident116 Ų11656.5 Ų56.554%0.53730%0.302SS..Hα-helixtrans-61.4-28.9176.675.1-91.6000113.1E829 T835E829-H831 VanDerWaalsContact C-N 3.33Å; E829-H831 PolarHBondContact O-N 3.04Å; E829-H831 IonicContact OE2-CE1 3.42Å; E829-H831 PolarHBondContact OE2-CE1 2.91Å; H831-T835 WeakPolarHBondContact O-CG2 3.32Å
832L87.1Confident87.2Confident6 Ų662.3 Ų62.33%0.03133%0.329CS..Hα-helixtrans-78.1-37.9174.7-89163.1000111.8L808 L811 E829 D830 D834 T835L808-L832 HydrophobicContact CB-CD1 3.83Å; L808-L832 HydrophobicContact CB-CD2 3.96Å; L808-L832 HydrophobicContact CD1-CD1 4.49Å; L808-L832 WeakPolarHBondContact O-CD2 3.49Å; L811-L832 HydrophobicContact CD1-CB 4.27Å; L811-L832 WeakPolarHBondContact CD1-O 3.08Å; L811-L832 HydrophobicContact CD2-CD2 4.4Å; L811-L832 HydrophobicContact CG-CB 4.22Å; L811-L832 HydrophobicContact CG-CD2 4.19Å; E829-L832 WeakPolarHBondContact O-CA 3.46Å; E829-L832 WeakPolarHBondContact O-CB 3.49Å; E829-L832 PolarHBondContact O-N 3.49Å; D830-L832 PolarHBondContact O-N 3.21Å; L832-D834 VanDerWaalsContact C-N 3.25Å; L832-D834 PolarHBondContact O-N 2.83Å; L832-T835 PolarHBondContact O-N 2.81Å; L832-T835 PolarHBondContact O-OG1 3.27Å
833F87.4Confident87Confident22 Ų2262.3 Ų62.310%0.09634%0.335CS..Hα-helixtrans-58.3-41172.2-172.5-92.6000110.9K823 L826 V828 E829 D830 T835 L836 K841 L844K823-F833 HydrophobicContact CD-CE2 4.41Å; K823-F833 HydrophobicContact CD-CZ 4.05Å; K823-F833 HydrophobicContact CG-CE2 4.31Å; K823-F833 HydrophobicContact CG-CZ 4.42Å; L826-F833 HydrophobicContact CD2-CD2 4.16Å; L826-F833 HydrophobicContact CD2-CE2 4.28Å; V828-F833 HydrophobicContact CG2-CB 3.87Å; V828-F833 HydrophobicContact CG2-CD2 4.18Å; E829-F833 PolarHBondContact O-N 3.24Å; E829-F833 VanDerWaalsContact O-N 3.08Å; D830-F833 WeakPolarHBondContact O-CB 3.26Å; D830-F833 PolarHBondContact O-N 3.04Å; D830-F833 VanDerWaalsContact O-N 3.09Å; F833-T835 VanDerWaalsContact C-N 3.25Å; F833-T835 PolarHBondContact O-N 3.33Å; F833-L836 HydrophobicContact CD2-CD1 4.31Å; F833-L836 HydrophobicContact CE2-CD1 4.49Å; F833-L836 WeakPolarHBondContact O-CB 3.4Å; F833-L836 PolarHBondContact O-N 3.36Å; F833-L836 VanDerWaalsContact O-N 3.16Å; F833-K841 HydrophobicContact CD1-CD 4.09Å; F833-K841 HydrophobicContact CD1-CG 4.43Å; F833-K841 HydrophobicContact CE1-CB 4.35Å; F833-K841 HydrophobicContact CE1-CD 3.83Å; F833-K841 HydrophobicContact CE1-CG 3.84Å; F833-K841 HydrophobicContact CZ-CB 4.46Å; F833-K841 HydrophobicContact CZ-CG 4.11Å; F833-L844 HydrophobicContact CE2-CD1 4.17Å
834D86.6Confident86.7Confident108 Ų10856.9 Ų56.958%0.57831%0.312SS*.Hα-helixtrans-63.3-26.4178.2-79.2-32.6000114.1D830 L832 L836 K841D830-D834 PolarHBondContact O-N 3.49Å; L832-D834 VanDerWaalsContact C-N 3.25Å; L832-D834 PolarHBondContact O-N 2.83Å; D834-L836 PolarHBondContact O-N 3.46Å; D834-K841 PolarHBondContact O-NZ 2.84Å
835T87.3Confident86.4Confident55 Ų5556 Ų5634%0.33730%0.299SS..THydrogen-bonded Turntrans-65.2-15.7175.6710000114.3R810 L811 H831 L832 F833R810-T835 HydrophobicContact CG-CG2 4.38Å; L811-T835 PolarHBondContact N-OG1 2.92Å; L811-T835 VanDerWaalsContact N-OG1 3.16Å; H831-T835 WeakPolarHBondContact O-CG2 3.32Å; L832-T835 PolarHBondContact O-N 2.81Å; L832-T835 PolarHBondContact O-OG1 3.27Å; F833-T835 VanDerWaalsContact C-N 3.25Å; F833-T835 PolarHBondContact O-N 3.33Å
836L87.2Confident85.5Confident4 Ų460.7 Ų60.72%0.02132%0.32CS..SBendtrans-71146.2177.5-69.1171.8000111.8L811 L815 L826 F833 D834 V840 K841 L844L811-L836 HydrophobicContact CB-CD2 3.6Å; L811-L836 HydrophobicContact CB-CG 4.02Å; L811-L836 HydrophobicContact CD1-CD1 4.09Å; L811-L836 HydrophobicContact CD1-CD2 4.48Å; L811-L836 HydrophobicContact CD1-CG 4.15Å; L815-L836 HydrophobicContact CD1-CD2 4.28Å; L826-L836 HydrophobicContact CD2-CD1 4.34Å; F833-L836 HydrophobicContact CD2-CD1 4.31Å; F833-L836 HydrophobicContact CE2-CD1 4.49Å; F833-L836 WeakPolarHBondContact O-CB 3.4Å; F833-L836 PolarHBondContact O-N 3.36Å; F833-L836 VanDerWaalsContact O-N 3.16Å; D834-L836 PolarHBondContact O-N 3.46Å; L836-V840 HydrophobicContact CB-CG1 4.44Å; L836-V840 HydrophobicContact CD1-CG1 4.28Å; L836-V840 HydrophobicContact CD2-CG1 4.16Å; L836-K841 HydrophobicContact CB-CD 4.2Å; L836-K841 HydrophobicContact CB-CG 3.8Å; L836-K841 WeakPolarHBondContact O-CE 3.37Å; L836-K841 PolarHBondContact O-NZ 2.81Å; L836-L844 HydrophobicContact CD1-CD1 3.82Å
837P88.6Confident83.7Confident49 Ų4966.6 Ų66.632%0.31835%0.351SS..  trans-58152.3170.5-22.733.5000112.6A813 E839 V840 K841A813-P837 HydrophobicContact CB-CG 3.81Å; P837-E839 VanDerWaalsContact C-N 3.28Å; P837-E839 WeakPolarHBondContact CB-OE2 3.47Å; P837-E839 PolarHBondContact O-N 3.22Å; P837-V840 HydrophobicContact CB-CG2 4.21Å; P837-V840 HydrophobicContact CG-CG2 4.22Å; P837-V840 PolarHBondContact O-N 3Å; P837-V840 VanDerWaalsContact O-N 3.11Å; P837-K841 PolarHBondContact O-N 2.86Å
838S83.9Confident81.5Confident75 Ų7568 Ų6852%0.52436%0.36SS..Hα-helixtrans-58.7-40.1-177.4-600000112.3V840 K841 E842S838-V840 VanDerWaalsContact C-N 3.29Å; S838-V840 PolarHBondContact O-N 3.1Å; S838-K841 PolarHBondContact O-N 3.48Å; S838-K841 VanDerWaalsContact O-N 3.16Å; S838-E842 PolarHBondContact O-N 2.92Å
839E83.3Confident78.8Confident130 Ų13072.4 Ų72.461%0.60739%0.391SS*.Hα-helixtrans-61.8-38.1178.7-50.278.4-176.100111.3P837 V843P837-E839 VanDerWaalsContact C-N 3.28Å; P837-E839 WeakPolarHBondContact CB-OE2 3.47Å; P837-E839 PolarHBondContact O-N 3.22Å; E839-V843 WeakPolarHBondContact O-CG2 3.13Å; E839-V843 PolarHBondContact O-N 3.22Å; E839-V843 VanDerWaalsContact O-N 3.12Å
840V84.4Confident76.2Confident14 Ų1476 Ų769%0.08541%0.411CS..Hα-helixtrans-72.6-40.1176.6179.50000110.6A813 L836 P837 S838 E842 V843 L844A813-V840 WeakPolarHBondContact O-CG2 3.45Å; L836-V840 HydrophobicContact CB-CG1 4.44Å; L836-V840 HydrophobicContact CD1-CG1 4.28Å; L836-V840 HydrophobicContact CD2-CG1 4.16Å; P837-V840 HydrophobicContact CB-CG2 4.21Å; P837-V840 HydrophobicContact CG-CG2 4.22Å; P837-V840 PolarHBondContact O-N 3Å; P837-V840 VanDerWaalsContact O-N 3.11Å; S838-V840 VanDerWaalsContact C-N 3.29Å; S838-V840 PolarHBondContact O-N 3.1Å; V840-E842 VanDerWaalsContact C-N 3.34Å; V840-V843 PolarHBondContact O-N 2.81Å; V840-L844 HydrophobicContact CG1-CD1 3.97Å; V840-L844 HydrophobicContact CG1-CG 4.44Å; V840-L844 WeakPolarHBondContact O-CB 3.4Å; V840-L844 VanDerWaalsContact O-CG 3.3Å; V840-L844 WeakPolarHBondContact O-CG 3.43Å; V840-L844 PolarHBondContact O-N 2.88Å
841K84.2Confident73.8Confident42 Ų4274.7 Ų74.718%0.18341%0.41CS..Hα-helixtrans-65.2-36.9176.4-69.8-175.6-69.8-151.10111.8F833 D834 L836 P837 S838 N845F833-K841 HydrophobicContact CD1-CD 4.09Å; F833-K841 HydrophobicContact CD1-CG 4.43Å; F833-K841 HydrophobicContact CE1-CB 4.35Å; F833-K841 HydrophobicContact CE1-CD 3.83Å; F833-K841 HydrophobicContact CE1-CG 3.84Å; F833-K841 HydrophobicContact CZ-CB 4.46Å; F833-K841 HydrophobicContact CZ-CG 4.11Å; D834-K841 PolarHBondContact O-NZ 2.84Å; L836-K841 HydrophobicContact CB-CD 4.2Å; L836-K841 HydrophobicContact CB-CG 3.8Å; L836-K841 WeakPolarHBondContact O-CE 3.37Å; L836-K841 PolarHBondContact O-NZ 2.81Å; P837-K841 PolarHBondContact O-N 2.86Å; S838-K841 PolarHBondContact O-N 3.48Å; S838-K841 VanDerWaalsContact O-N 3.16Å; K841-N845 VanDerWaalsContact O-CB 3.31Å; K841-N845 WeakPolarHBondContact O-CB 3.5Å; K841-N845 PolarHBondContact O-N 2.87Å; K841-N845 VanDerWaalsContact O-N 3.12Å; K841-N845 PolarHBondContact O-ND2 3.01Å
842E82.1Confident71.3Confident124 Ų12479.4 Ų79.458%0.57943%0.429SS*.Hα-helixtrans-63.8-50.3171.6-75-178.7-169.600112.1S838 V840 L844 N845 Q846S838-E842 PolarHBondContact O-N 2.92Å; V840-E842 VanDerWaalsContact C-N 3.34Å; E842-L844 VanDerWaalsContact C-N 3.28Å; E842-L844 PolarHBondContact O-N 3.43Å; E842-N845 CarbonylContact O-C 3.54Å; E842-N845 PolarHBondContact O-N 3.24Å; E842-Q846 WeakPolarHBondContact O-CG 3.4Å; E842-Q846 PolarHBondContact O-N 3.41Å
843V82.4Confident69Low59 Ų5983.2 Ų83.236%0.35846%0.462SS..Hα-helixtrans-58.1-39.2178.2168.90000112.3E839 V840 N845E839-V843 WeakPolarHBondContact O-CG2 3.13Å; E839-V843 PolarHBondContact O-N 3.22Å; E839-V843 VanDerWaalsContact O-N 3.12Å; V840-V843 PolarHBondContact O-N 2.81Å; V843-N845 VanDerWaalsContact C-N 3.33Å
844L80.3Confident66.4Low3 Ų390 Ų902%0.01650%0.499CS..Hα-helixtrans-72.1-23.7176.7-69.6170.8000113.7L821 K823 L826 F833 L836 V840 E842L821-L844 HydrophobicContact CB-CD2 4.3Å; L821-L844 HydrophobicContact CD2-CD2 4.24Å; L821-L844 HydrophobicContact CG-CD2 4.03Å; L821-L844 WeakPolarHBondContact O-CD2 3.48Å; K823-L844 PolarHBondContact N-O 3Å; L826-L844 HydrophobicContact CD2-CD1 3.87Å; F833-L844 HydrophobicContact CE2-CD1 4.17Å; L836-L844 HydrophobicContact CD1-CD1 3.82Å; V840-L844 HydrophobicContact CG1-CD1 3.97Å; V840-L844 HydrophobicContact CG1-CG 4.44Å; V840-L844 WeakPolarHBondContact O-CB 3.4Å; V840-L844 VanDerWaalsContact O-CG 3.3Å; V840-L844 WeakPolarHBondContact O-CG 3.43Å; V840-L844 PolarHBondContact O-N 2.88Å; E842-L844 VanDerWaalsContact C-N 3.28Å; E842-L844 PolarHBondContact O-N 3.43Å
845N79.8Confident64.2Low86 Ų8688.5 Ų88.546%0.4651%0.509SS..Hα-helixtrans-92.4-14.2178.4-73.4-26.6000113.6K823 K841 E842 V843 D847K823-N845 WeakPolarHBondContact CD-OD1 3.27Å; K841-N845 VanDerWaalsContact O-CB 3.31Å; K841-N845 WeakPolarHBondContact O-CB 3.5Å; K841-N845 PolarHBondContact O-N 2.87Å; K841-N845 VanDerWaalsContact O-N 3.12Å; K841-N845 PolarHBondContact O-ND2 3.01Å; E842-N845 CarbonylContact O-C 3.54Å; E842-N845 PolarHBondContact O-N 3.24Å; V843-N845 VanDerWaalsContact C-N 3.33Å; N845-D847 PolarHBondContact O-N 3.44Å
846Q67.8Low61.6Low105 Ų10597.7 Ų97.749%0.49155%0.554SS.*  trans-71.8109.3178.9-79.7174.31600111.3R822 E842 T848R822-Q846 PolarHBondContact NH1-O 3.3Å; E842-Q846 WeakPolarHBondContact O-CG 3.4Å; E842-Q846 PolarHBondContact O-N 3.41Å; Q846-T848 PolarHBondContact O-N 2.94Å
847D52.4Low60.3Low134 Ų134102.4 Ų102.472%0.71758%0.58SS**  trans-77.8101.5163.8-81.7-39.2000109.9N845 S849N845-D847 PolarHBondContact O-N 3.44Å; D847-S849 PolarHBondContact O-N 3.48Å
848T46.7Very low58.8Low82 Ų82105.2 Ų105.250%0.50359%0.594SS.*  trans-7971.8175.460.70000110.9R822 Q846 I850R822-T848 PolarHBondContact NH2-OG1 2.88Å; Q846-T848 PolarHBondContact O-N 2.94Å; T848-I850 PolarHBondContact O-N 2.96Å
849S36.6Very low57.4Low109 Ų109106.9 Ų106.976%0.76260%0.598SS**  trans-84.113.217156.40000113.3D847D847-S849 PolarHBondContact O-N 3.48Å
850I36.9Very low55.9Low135 Ų135105.5 Ų105.569%0.69260%0.597SS**SBendtrans-114.9122.2178.1-54.5177.7000108.6T848T848-I850 PolarHBondContact O-N 2.96Å
851P36.6Very low54.1Low111 Ų111111.3 Ų111.372%0.72163%0.629SS**  trans-72.5140.617530-33.6000111A853P851-A853 PolarHBondContact O-N 3.11Å
852F35Very low52.1Low214 Ų214115.9 Ų115.994%0.93966%0.659SS**  trans-7089.1173.4-95.7-96.2000111
853A38.7Very low50Low86 Ų86115.3 Ų115.371%0.71167%0.665SS**  trans-100.393.1162.700000109.2P851P851-A853 PolarHBondContact O-N 3.11Å
854N34.3Very low47.5Very low166 Ų166119.6 Ų119.689%0.88869%0.688SS**  trans-164.8110.8157.8-102.3-23.5000108.9
855G39.1Very low44.7Very low75 Ų75129.3 Ų129.377%0.77374%0.744SS**  trans-114.7130.6167.600000109.5
856I33Very low41.6Very low249 Ų249133.3 Ų133.3100%1.27777%0.77SS**  trans-123.80154.5-61.4179.8000104.9

Retrieved 856 of 856 residues in 195.1 ms (Link to these results)

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