A0A077ZJE1_TRITR Loading...

NADPH--hemoprotein reductase

AlphaFold DB , UniProt , Accession A0A077ZJE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M98.7Very high98.3Very high25 Ų2525.7 Ų25.712%0.12318%0.179CC..  0131.20-62.6171.9-63.600107.7F11 F14 I15 T48 V49 L50 Y51 L76 Y115M1-F11 HydrophobicContact CB-CB 4.49Å; M1-F11 HydrophobicContact CB-CD1 3.76Å; M1-F11 HydrophobicContact CB-CD2 3.96Å; M1-F11 HydrophobicContact CB-CE1 3.93Å; M1-F11 HydrophobicContact CB-CE2 4.1Å; M1-F11 HydrophobicContact CB-CG 3.79Å; M1-F11 HydrophobicContact CB-CZ 4.09Å; M1-F11 HydrophobicContact CG-CD1 3.66Å; M1-F11 HydrophobicContact CG-CE1 3.96Å; M1-F11 HydrophobicContact CG-CG 4.1Å; M1-F11 HydrophobicContact SD-CB 3.91Å; M1-F11 HydrophobicContact SD-CD1 3.72Å; M1-F11 HydrophobicContact SD-CG 3.97Å; M1-F14 HydrophobicContact SD-CB 3.99Å; M1-F14 HydrophobicContact SD-CD2 4.03Å; M1-F14 HydrophobicContact SD-CG 4.5Å; M1-I15 HydrophobicContact CE-CD1 4.1Å; M1-I15 HydrophobicContact CE-CG1 3.77Å; M1-I15 HydrophobicContact SD-CG1 4.43Å; M1-T48 HydrophobicContact CE-CG2 3.55Å; M1-V49 PolarHBondContact N-O 3.25Å; M1-L50 HydrophobicContact CB-CD1 3.87Å; M1-L50 HydrophobicContact CE-CB 4.21Å; M1-L50 WeakPolarHBondContact O-CA 3.24Å; M1-Y51 PolarHBondContact O-N 2.69Å; M1-L76 HydrophobicContact CE-CD2 4.11Å; M1-Y115 CarbonylContact C-O 3.58Å; M1-Y115 WeakPolarHBondContact CA-O 3.34Å; M1-Y115 HydrophobicContact CG-CD2 4.32Å
2I98.8Very high98.3Very high2 Ų229.7 Ų29.71%0.0119%0.187CC..BIsolated β-bridgetrans-129.5109.7-178.5-56.992.5000107.9F11 Y51 V93 M97 V114 Y115 V116 C117 V127I2-F11 WeakPolarHBondContact O-CE2 3.46Å; I2-Y51 WeakPolarHBondContact CA-O 3.46Å; I2-Y51 HydrophobicContact CG1-CD2 4.2Å; I2-Y51 HydrophobicContact CG1-CG 4.44Å; I2-V93 HydrophobicContact CG2-CB 4.01Å; I2-V93 HydrophobicContact CG2-CG2 3.7Å; I2-M97 HydrophobicContact CG1-SD 4.08Å; I2-M97 HydrophobicContact CG2-SD 4.39Å; I2-V114 HydrophobicContact CD1-CG1 3.74Å; I2-Y115 PolarHBondContact N-O 2.82Å; I2-V116 HydrophobicContact CD1-CG2 4.34Å; I2-V116 CarbonylContact O-C 3.59Å; I2-V116 WeakPolarHBondContact O-CA 3.48Å; I2-C117 PolarHBondContact O-N 3.46Å; I2-V127 HydrophobicContact CB-CG1 4.49Å; I2-V127 HydrophobicContact CG2-CG1 4.19Å; I2-V127 HydrophobicContact CG2-CG2 3.84Å
3G98.6Very high98.2Very high0 Ų029.9 Ų29.90%020%0.199CC..  trans-156.980.9-171.300000113.9I8 Y51 Y52 C117G3-I8 PolarHBondContact O-N 3.25Å; G3-Y51 PolarHBondContact N-O 3.08Å; G3-Y52 VanDerWaalsContact O-CD2 3.22Å; G3-Y52 WeakPolarHBondContact O-CD2 3.41Å; G3-C117 WeakPolarHBondContact CA-O 3.27Å
4P98.4Very high98.2Very high32 Ų3233.2 Ų33.221%0.20821%0.208CC..  trans-71.5155.2174.430.3-33.3000112.3T6 G7 G53 V93 M123P4-T6 PolarHBondContact O-N 3.19Å; P4-G7 WeakPolarHBondContact O-CA 3.48Å; P4-G7 PolarHBondContact O-N 3.33Å; P4-G53 CarbonylContact C-O 3.56Å; P4-G53 WeakPolarHBondContact CA-O 3.4Å; P4-G53 WeakPolarHBondContact CB-O 3.06Å; P4-V93 HydrophobicContact CB-CG1 4.07Å; P4-V93 HydrophobicContact CG-CG1 4.3Å; P4-V93 HydrophobicContact CG-CG2 4.2Å; P4-M123 HydrophobicContact CG-CE 4.36Å; P4-M123 HydrophobicContact CG-CG 3.65Å; P4-M123 HydrophobicContact CG-SD 4.13Å
5G97.8Very high98.1Very high30 Ų3031 Ų3131%0.30919%0.194SC..G310 helixtrans58-133.2179.100000111.9G7 I8 G53G5-G7 PolarHBondContact O-N 3.46Å; G5-I8 VanDerWaalsContact O-CG2 3.24Å; G5-I8 WeakPolarHBondContact O-CG2 3.44Å; G5-I8 PolarHBondContact O-N 3.02Å; G5-G53 PolarHBondContact N-O 3.48Å
6T97.6Very high98.1Very high93 Ų9334 Ų3457%0.57121%0.205SC*.G310 helixtrans-69.6-9.617649.50000113.7P4 I8 A9P4-T6 PolarHBondContact O-N 3.19Å; T6-I8 PolarHBondContact O-N 2.67Å; T6-A9 WeakPolarHBondContact O-CB 3.25Å; T6-A9 PolarHBondContact O-N 2.95Å; T6-A9 VanDerWaalsContact O-N 3.09Å
7G97.9Very high97.8Very high0 Ų039.1 Ų39.10%023%0.226CC..G310 helixtrans-60.9-10.3169.700000114.3P4 G5 A9 F11 C117P4-G7 WeakPolarHBondContact O-CA 3.48Å; P4-G7 PolarHBondContact O-N 3.33Å; G5-G7 PolarHBondContact O-N 3.46Å; G7-A9 VanDerWaalsContact C-N 3.26Å; G7-A9 PolarHBondContact O-N 3.31Å; G7-F11 WeakPolarHBondContact O-CD2 3.49Å; G7-F11 WeakPolarHBondContact O-CE2 3.38Å; G7-C117 WeakPolarHBondContact CA-O 3.45Å; G7-C117 VanDerWaalsContact O-CB 3.27Å; G7-C117 WeakPolarHBondContact O-CB 3.46Å; G7-C117 PolarHBondContact O-SG 3.28Å
8I98.4Very high97.6Very high2 Ų240.7 Ų40.71%0.0123%0.228CC..G310 helixtrans-71.6-18.6172.6-167.561.2000113.4G3 G5 T6 F11 R12 L50 Y52 L62 Y63G3-I8 PolarHBondContact O-N 3.25Å; G5-I8 VanDerWaalsContact O-CG2 3.24Å; G5-I8 WeakPolarHBondContact O-CG2 3.44Å; G5-I8 PolarHBondContact O-N 3.02Å; T6-I8 PolarHBondContact O-N 2.67Å; I8-F11 HydrophobicContact CD1-CB 4.09Å; I8-F11 HydrophobicContact CD1-CD2 4.5Å; I8-F11 WeakPolarHBondContact O-CA 3.45Å; I8-F11 WeakPolarHBondContact O-CB 3.45Å; I8-F11 PolarHBondContact O-N 3.37Å; I8-R12 PolarHBondContact O-N 2.9Å; I8-L50 HydrophobicContact CD1-CD1 3.75Å; I8-L50 HydrophobicContact CD1-CD2 3.49Å; I8-L50 VanDerWaalsContact CD1-CD2 3.49Å; I8-L50 HydrophobicContact CD1-CG 4.22Å; I8-Y52 HydrophobicContact CB-CD2 3.97Å; I8-Y52 HydrophobicContact CB-CE2 3.8Å; I8-Y52 HydrophobicContact CD1-CD2 3.99Å; I8-Y52 HydrophobicContact CG1-CD2 4.13Å; I8-Y52 HydrophobicContact CG1-CE2 4.24Å; I8-Y52 HydrophobicContact CG2-CE2 4.13Å; I8-L62 HydrophobicContact CG2-CB 4.34Å; I8-L62 HydrophobicContact CG2-CD1 4.1Å; I8-Y63 HydrophobicContact CG1-CD2 4.29Å; I8-Y63 HydrophobicContact CG2-CD2 3.96Å; I8-Y63 HydrophobicContact CG2-CE2 3.84Å
9A98.2Very high97.4Very high56 Ų5639.8 Ų39.846%0.46323%0.226SC..Hα-helixtrans-51.4-54.4-168.400000114.7T6 G7 F11 R12T6-A9 WeakPolarHBondContact O-CB 3.25Å; T6-A9 PolarHBondContact O-N 2.95Å; T6-A9 VanDerWaalsContact O-N 3.09Å; G7-A9 VanDerWaalsContact C-N 3.26Å; G7-A9 PolarHBondContact O-N 3.31Å; A9-F11 VanDerWaalsContact C-N 3.28Å; A9-F11 PolarHBondContact O-N 3.32Å; A9-R12 PolarHBondContact O-N 3.45Å
10P98Very high97.1Very high39 Ų3943.9 Ų43.925%0.25324%0.241SC..Hα-helixtrans-68-30.5178.227.1-34.7000112.3R12 G13 F14 C117P10-R12 VanDerWaalsContact C-N 3.32Å; P10-R12 PolarHBondContact O-N 2.88Å; P10-G13 PolarHBondContact O-N 2.58Å; P10-F14 WeakPolarHBondContact O-CD1 3.36Å; P10-F14 PolarHBondContact O-N 2.59Å; P10-C117 VanDerWaalsContact CD-SG 3.58Å; P10-C117 HydrophobicContact CG-CB 3.97Å; P10-C117 WeakPolarHBondContact CG-SG 3.41Å
11F98.6Very high96.6Very high4 Ų445.3 Ų45.32%0.01825%0.248CC..Hα-helixtrans-71.1-27.6-178-56.5-37.2000112.9M1 I2 G7 I8 A9 G13 F14 I15 L50 Y115 C117M1-F11 HydrophobicContact CB-CB 4.49Å; M1-F11 HydrophobicContact CB-CD1 3.76Å; M1-F11 HydrophobicContact CB-CD2 3.96Å; M1-F11 HydrophobicContact CB-CE1 3.93Å; M1-F11 HydrophobicContact CB-CE2 4.1Å; M1-F11 HydrophobicContact CB-CG 3.79Å; M1-F11 HydrophobicContact CB-CZ 4.09Å; M1-F11 HydrophobicContact CG-CD1 3.66Å; M1-F11 HydrophobicContact CG-CE1 3.96Å; M1-F11 HydrophobicContact CG-CG 4.1Å; M1-F11 HydrophobicContact SD-CB 3.91Å; M1-F11 HydrophobicContact SD-CD1 3.72Å; M1-F11 HydrophobicContact SD-CG 3.97Å; I2-F11 WeakPolarHBondContact O-CE2 3.46Å; G7-F11 WeakPolarHBondContact O-CD2 3.49Å; G7-F11 WeakPolarHBondContact O-CE2 3.38Å; I8-F11 HydrophobicContact CD1-CB 4.09Å; I8-F11 HydrophobicContact CD1-CD2 4.5Å; I8-F11 WeakPolarHBondContact O-CA 3.45Å; I8-F11 WeakPolarHBondContact O-CB 3.45Å; I8-F11 PolarHBondContact O-N 3.37Å; A9-F11 VanDerWaalsContact C-N 3.28Å; A9-F11 PolarHBondContact O-N 3.32Å; F11-G13 VanDerWaalsContact C-N 3.3Å; F11-G13 PolarHBondContact O-N 3.32Å; F11-F14 HydrophobicContact CD1-CD2 4.12Å; F11-F14 HydrophobicContact CD1-CE2 4.49Å; F11-F14 PolarHBondContact O-N 2.89Å; F11-I15 WeakPolarHBondContact O-CD1 3.21Å; F11-I15 WeakPolarHBondContact O-CG1 3.44Å; F11-I15 PolarHBondContact O-N 3.49Å; F11-L50 HydrophobicContact CB-CD1 4.41Å; F11-L50 HydrophobicContact CD2-CD1 4.12Å; F11-Y115 VanDerWaalsContact CE1-CB 3.48Å; F11-Y115 HydrophobicContact CE1-CG 4.39Å; F11-C117 HydrophobicContact CE1-CB 4.47Å; F11-C117 HydrophobicContact CE2-CB 3.66Å; F11-C117 HydrophobicContact CZ-CB 3.57Å
12R98.2Very high96.1Very high73 Ų7347.9 Ų47.928%0.27526%0.259SS..Hα-helixtrans-57.1-46.5169.1-174.4172.8179-98.5-1.1110.9I8 A9 P10 I15 Q16 Y63 E66 W70I8-R12 PolarHBondContact O-N 2.9Å; A9-R12 PolarHBondContact O-N 3.45Å; P10-R12 VanDerWaalsContact C-N 3.32Å; P10-R12 PolarHBondContact O-N 2.88Å; R12-I15 PolarHBondContact O-N 3.43Å; R12-Q16 VanDerWaalsContact O-CG 3.28Å; R12-Q16 WeakPolarHBondContact O-CG 3.39Å; R12-Q16 PolarHBondContact O-N 2.96Å; R12-Y63 VanDerWaalsContact CD-CE1 3.49Å; R12-E66 IonicContact CZ-OE1 3.58Å; R12-E66 IonicContact CZ-OE2 3.36Å; R12-E66 IonicContact NE-OE1 3.12Å; R12-E66 PolarHBondContact NE-OE1 3.48Å; R12-E66 VanDerWaalsContact NE-OE1 3.12Å; R12-E66 IonicContact NE-OE2 3.15Å; R12-E66 PolarHBondContact NE-OE2 3.31Å; R12-E66 VanDerWaalsContact NE-OE2 3.15Å; R12-E66 IonicContact NH2-OE1 3.18Å; R12-E66 PolarHBondContact NH2-OE1 2.98Å; R12-E66 IonicContact NH2-OE2 2.76Å; R12-E66 PolarHBondContact NH2-OE2 2.91Å; R12-W70 HydrophobicContact CG-CH2 3.98Å; R12-W70 HydrophobicContact CG-CZ3 4.37Å
13G97.6Very high95.5Very high33 Ų3354.2 Ų54.234%0.3429%0.286SS..Hα-helixtrans-64.1-41.5175.400000112.9P10 F11 I15 Q16 Q17P10-G13 PolarHBondContact O-N 2.58Å; F11-G13 VanDerWaalsContact C-N 3.3Å; F11-G13 PolarHBondContact O-N 3.32Å; G13-I15 PolarHBondContact O-N 2.96Å; G13-Q16 PolarHBondContact O-N 3.35Å; G13-Q17 PolarHBondContact O-N 3.36Å
14F97.5Very high94.7Very high76 Ų7658.8 Ų58.833%0.33331%0.308SS..Hα-helixtrans-60.1-46.4175.5-76.417.6000111.2M1 P10 F11 Q16 Q17 R18 Y115M1-F14 HydrophobicContact SD-CB 3.99Å; M1-F14 HydrophobicContact SD-CD2 4.03Å; M1-F14 HydrophobicContact SD-CG 4.5Å; P10-F14 WeakPolarHBondContact O-CD1 3.36Å; P10-F14 PolarHBondContact O-N 2.59Å; F11-F14 HydrophobicContact CD1-CD2 4.12Å; F11-F14 HydrophobicContact CD1-CE2 4.49Å; F11-F14 PolarHBondContact O-N 2.89Å; F14-Q16 PolarHBondContact O-N 3.43Å; F14-Q17 WeakPolarHBondContact O-CB 3.47Å; F14-Q17 PolarHBondContact O-N 2.89Å; F14-R18 VanDerWaalsContact O-CG 3.29Å; F14-R18 WeakPolarHBondContact O-CG 3.39Å; F14-R18 PolarHBondContact O-N 2.94Å; F14-Y115 AromaticContact CE2-CD1 3.91Å; F14-Y115 HydrophobicContact CE2-CD1 3.91Å; F14-Y115 HydrophobicContact CE2-CD2 4.11Å; F14-Y115 AromaticContact CE2-CE1 3.94Å; F14-Y115 HydrophobicContact CE2-CE1 3.94Å; F14-Y115 HydrophobicContact CE2-CE2 4.13Å; F14-Y115 HydrophobicContact CE2-CG 4.01Å; F14-Y115 HydrophobicContact CZ-CD1 4.48Å; F14-Y115 HydrophobicContact CZ-CE1 4.4Å
15I97.6Very high93.9Very high0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-67.4-38.4-178.6-61.1159.3000110.7M1 F11 R12 G13 Q17 R18 A19 L50 L67 W70 V75 L76M1-I15 HydrophobicContact CE-CD1 4.1Å; M1-I15 HydrophobicContact CE-CG1 3.77Å; M1-I15 HydrophobicContact SD-CG1 4.43Å; F11-I15 WeakPolarHBondContact O-CD1 3.21Å; F11-I15 WeakPolarHBondContact O-CG1 3.44Å; F11-I15 PolarHBondContact O-N 3.49Å; R12-I15 PolarHBondContact O-N 3.43Å; G13-I15 PolarHBondContact O-N 2.96Å; I15-Q17 VanDerWaalsContact C-N 3.33Å; I15-Q17 PolarHBondContact O-N 3.23Å; I15-R18 CarbonylContact O-C 3.52Å; I15-R18 PolarHBondContact O-N 3.21Å; I15-R18 VanDerWaalsContact O-N 3.16Å; I15-A19 WeakPolarHBondContact O-CB 3.42Å; I15-A19 PolarHBondContact O-N 2.74Å; I15-L50 HydrophobicContact CD1-CD2 4.09Å; I15-L67 HydrophobicContact CD1-CD2 3.94Å; I15-W70 HydrophobicContact CB-CD2 4.36Å; I15-W70 HydrophobicContact CB-CE3 3.99Å; I15-W70 HydrophobicContact CB-CZ3 4.1Å; I15-W70 HydrophobicContact CD1-CE3 4.33Å; I15-W70 HydrophobicContact CD1-CZ3 4.43Å; I15-W70 HydrophobicContact CG2-CB 4.05Å; I15-W70 HydrophobicContact CG2-CD2 3.33Å; I15-W70 HydrophobicContact CG2-CE3 3.31Å; I15-W70 HydrophobicContact CG2-CG 3.68Å; I15-W70 HydrophobicContact CG2-CH2 4.47Å; I15-W70 HydrophobicContact CG2-CZ2 4.49Å; I15-W70 HydrophobicContact CG2-CZ3 3.92Å; I15-V75 HydrophobicContact CG2-CG1 3.79Å; I15-L76 HydrophobicContact CD1-CD1 4.2Å; I15-L76 HydrophobicContact CD1-CD2 3.86Å; I15-L76 HydrophobicContact CD1-CG 4.31Å; I15-L76 HydrophobicContact CG1-CD2 3.92Å; I15-L76 HydrophobicContact CG1-CG 4.48Å; I15-L76 HydrophobicContact CG2-CD2 4.45Å; I15-L76 HydrophobicContact CG2-CG 4.2Å
16Q97.3Very high92.9Very high79 Ų7961.9 Ų61.937%0.36932%0.319SS..Hα-helixtrans-58.2-44.3171.4-74.5171.2-1600111.9R12 G13 F14 R18 A19 F20 W70R12-Q16 VanDerWaalsContact O-CG 3.28Å; R12-Q16 WeakPolarHBondContact O-CG 3.39Å; R12-Q16 PolarHBondContact O-N 2.96Å; G13-Q16 PolarHBondContact O-N 3.35Å; F14-Q16 PolarHBondContact O-N 3.43Å; Q16-R18 VanDerWaalsContact C-N 3.35Å; Q16-R18 PolarHBondContact O-N 2.9Å; Q16-A19 WeakPolarHBondContact O-CB 3.36Å; Q16-A19 PolarHBondContact O-N 3.26Å; Q16-F20 WeakPolarHBondContact O-CB 3.46Å; Q16-F20 PolarHBondContact O-N 3.4Å; Q16-W70 HydrophobicContact CG-CH2 3.87Å; Q16-W70 HydrophobicContact CG-CZ2 3.62Å
17Q94.2Very high92Very high120 Ų12061.4 Ų61.456%0.56131%0.313SS*.Hα-helixtrans-63.4-40.5175-171-178.518.500111.6G13 F14 I15 F20 L21G13-Q17 PolarHBondContact O-N 3.36Å; F14-Q17 WeakPolarHBondContact O-CB 3.47Å; F14-Q17 PolarHBondContact O-N 2.89Å; I15-Q17 VanDerWaalsContact C-N 3.33Å; I15-Q17 PolarHBondContact O-N 3.23Å; Q17-F20 PolarHBondContact O-N 3.46Å; Q17-L21 HydrophobicContact CG-CD1 4.28Å; Q17-L21 WeakPolarHBondContact O-CB 3.46Å; Q17-L21 VanDerWaalsContact O-CG 3.28Å; Q17-L21 WeakPolarHBondContact O-CG 3.31Å; Q17-L21 PolarHBondContact O-N 3.3Å
18R94Very high91.2Very high69 Ų6966.7 Ų66.726%0.2634%0.336SS..Hα-helixtrans-64.8-38.8175.1-62.6-65.6-83.6179.7-10.1111.9F14 I15 Q16 K22 G46 T48 V75F14-R18 VanDerWaalsContact O-CG 3.29Å; F14-R18 WeakPolarHBondContact O-CG 3.39Å; F14-R18 PolarHBondContact O-N 2.94Å; I15-R18 CarbonylContact O-C 3.52Å; I15-R18 PolarHBondContact O-N 3.21Å; I15-R18 VanDerWaalsContact O-N 3.16Å; Q16-R18 VanDerWaalsContact C-N 3.35Å; Q16-R18 PolarHBondContact O-N 2.9Å; R18-K22 VanDerWaalsContact O-CB 3.32Å; R18-K22 WeakPolarHBondContact O-CB 3.36Å; R18-K22 PolarHBondContact O-N 2.97Å; R18-G46 VanDerWaalsContact NH2-C 3.31Å; R18-G46 PolarHBondContact NH2-O 3.45Å; R18-T48 HydrophobicContact CG-CG2 4.19Å; R18-T48 PolarHBondContact NE-OG1 3.25Å; R18-T48 PolarHBondContact NH2-OG1 3.15Å; R18-V75 HydrophobicContact CB-CG1 3.95Å
19A93.2Very high90.2Very high23 Ų2367.3 Ų67.319%0.1934%0.342CS..Hα-helixtrans-63.3-46.2175.100000111I15 Q16 K22 K23 V75I15-A19 WeakPolarHBondContact O-CB 3.42Å; I15-A19 PolarHBondContact O-N 2.74Å; Q16-A19 WeakPolarHBondContact O-CB 3.36Å; Q16-A19 PolarHBondContact O-N 3.26Å; A19-K22 PolarHBondContact O-N 2.88Å; A19-K23 PolarHBondContact O-N 2.96Å; A19-V75 HydrophobicContact CB-CB 4.48Å; A19-V75 HydrophobicContact CB-CG1 3.85Å; A19-V75 HydrophobicContact CB-CG2 3.84Å
20F91.7Very high89.3Confident121 Ų12168.5 Ų68.553%0.53134%0.343SS..Hα-helixtrans-58.8-52175.7177.5-98.8000111.3Q16 Q17 K22 K23 E24Q16-F20 WeakPolarHBondContact O-CB 3.46Å; Q16-F20 PolarHBondContact O-N 3.4Å; Q17-F20 PolarHBondContact O-N 3.46Å; F20-K22 PolarHBondContact O-N 3.29Å; F20-K23 WeakPolarHBondContact O-CB 3.34Å; F20-K23 PolarHBondContact O-N 3.4Å; F20-K23 VanDerWaalsContact O-N 3.16Å; F20-E24 HydrophobicContact CD1-CG 4.12Å; F20-E24 HydrophobicContact CE1-CG 3.62Å; F20-E24 HydrophobicContact CE2-CG 4.06Å; F20-E24 HydrophobicContact CZ-CG 3.58Å; F20-E24 WeakPolarHBondContact O-CG 3.45Å; F20-E24 PolarHBondContact O-N 3.02Å
21L87.5Confident88.4Confident74 Ų7471.9 Ų71.939%0.38735%0.354SS..Hα-helixtrans-59.6-36.2177.3-69.9172000111.8Q17 K23 E24 G25 I45Q17-L21 HydrophobicContact CG-CD1 4.28Å; Q17-L21 WeakPolarHBondContact O-CB 3.46Å; Q17-L21 VanDerWaalsContact O-CG 3.28Å; Q17-L21 WeakPolarHBondContact O-CG 3.31Å; Q17-L21 PolarHBondContact O-N 3.3Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-E24 PolarHBondContact O-N 3.27Å; L21-G25 PolarHBondContact O-N 3.39Å; L21-I45 HydrophobicContact CB-CD1 3.57Å; L21-I45 WeakPolarHBondContact O-CD1 3.39Å
22K87.4Confident87.6Confident80 Ų8072.7 Ų72.735%0.34836%0.358SS..Hα-helixtrans-66.3-41.7179.3-173176.1-178.4174.70110.9R18 A19 F20 L26 I45 D73 G74 V75R18-K22 VanDerWaalsContact O-CB 3.32Å; R18-K22 WeakPolarHBondContact O-CB 3.36Å; R18-K22 PolarHBondContact O-N 2.97Å; A19-K22 PolarHBondContact O-N 2.88Å; F20-K22 PolarHBondContact O-N 3.29Å; K22-L26 VanDerWaalsContact O-CB 3.29Å; K22-L26 WeakPolarHBondContact O-CB 3.24Å; K22-L26 PolarHBondContact O-N 3.33Å; K22-I45 HydrophobicContact CB-CD1 3.74Å; K22-I45 HydrophobicContact CG-CD1 4.5Å; K22-D73 PolarHBondContact NZ-O 3.42Å; K22-G74 PolarHBondContact NZ-O 3.21Å; K22-V75 HydrophobicContact CD-CG2 4.09Å
23K85.6Confident86.6Confident135 Ų13574.9 Ų74.959%0.58737%0.373SS*.Hα-helixtrans-63.6-50.8174.6-172.7-176.9174.7-172.80111.1A19 F20 L21 G25 L26 D27A19-K23 PolarHBondContact O-N 2.96Å; F20-K23 WeakPolarHBondContact O-CB 3.34Å; F20-K23 PolarHBondContact O-N 3.4Å; F20-K23 VanDerWaalsContact O-N 3.16Å; L21-K23 VanDerWaalsContact C-N 3.35Å; K23-G25 VanDerWaalsContact C-N 3.31Å; K23-G25 PolarHBondContact O-N 2.92Å; K23-L26 CarbonylContact O-C 3.58Å; K23-L26 WeakPolarHBondContact O-CA 3.5Å; K23-L26 WeakPolarHBondContact O-CB 3.28Å; K23-L26 PolarHBondContact O-N 2.89Å; K23-D27 PolarHBondContact O-N 2.92Å
24E82.1Confident85.9Confident96 Ų9679.5 Ų79.545%0.44939%0.389SS..Hα-helixtrans-58.6-42.7176.7-70.3-69.7133.700112F20 L21 L26 D27 F28F20-E24 HydrophobicContact CD1-CG 4.12Å; F20-E24 HydrophobicContact CE1-CG 3.62Å; F20-E24 HydrophobicContact CE2-CG 4.06Å; F20-E24 HydrophobicContact CZ-CG 3.58Å; F20-E24 WeakPolarHBondContact O-CG 3.45Å; F20-E24 PolarHBondContact O-N 3.02Å; L21-E24 PolarHBondContact O-N 3.27Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 3.27Å; E24-D27 PolarHBondContact O-N 3Å; E24-F28 VanDerWaalsContact O-CB 3.3Å; E24-F28 WeakPolarHBondContact O-CB 3.3Å; E24-F28 PolarHBondContact O-N 3.21Å
25G80.8Confident85.2Confident19 Ų1982.6 Ų82.620%0.19640%0.402CS..Hα-helixtrans-65.6-34.117600000112.7L21 K23 A29L21-G25 PolarHBondContact O-N 3.39Å; K23-G25 VanDerWaalsContact C-N 3.31Å; K23-G25 PolarHBondContact O-N 2.92Å; G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 3.27Å
26L78.1Confident84.2Confident108 Ų10884.7 Ų84.757%0.56542%0.417SS*.Hα-helixtrans-71.7-44.3174.2-174.264.6000111.2K22 K23 E24 F28 A29 V30K22-L26 VanDerWaalsContact O-CB 3.29Å; K22-L26 WeakPolarHBondContact O-CB 3.24Å; K22-L26 PolarHBondContact O-N 3.33Å; K23-L26 CarbonylContact O-C 3.58Å; K23-L26 WeakPolarHBondContact O-CA 3.5Å; K23-L26 WeakPolarHBondContact O-CB 3.28Å; K23-L26 PolarHBondContact O-N 2.89Å; E24-L26 VanDerWaalsContact C-N 3.31Å; E24-L26 PolarHBondContact O-N 3.27Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.02Å; L26-A29 WeakPolarHBondContact O-CB 3.09Å; L26-A29 PolarHBondContact O-N 2.88Å; L26-A29 VanDerWaalsContact O-N 3.15Å; L26-V30 WeakPolarHBondContact O-CB 3.3Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.41Å; L26-V30 PolarHBondContact O-N 3.46Å
27D79.2Confident83.1Confident82 Ų8284.2 Ų84.244%0.43943%0.426SS..Hα-helixtrans-61.1-42.6176.7-68.9-18.7000110.3K23 E24 V30 F31K23-D27 PolarHBondContact O-N 2.92Å; E24-D27 PolarHBondContact O-N 3Å; D27-V30 PolarHBondContact O-N 2.95Å; D27-F31 WeakPolarHBondContact O-CB 3.43Å; D27-F31 PolarHBondContact O-N 2.82Å
28F79.3Confident82.3Confident112 Ų11282.5 Ų82.549%0.49143%0.428SS..Hα-helixtrans-67.1-39.5173.3-171.3-110.6000112.6E24 L26 F31 L32E24-F28 VanDerWaalsContact O-CB 3.3Å; E24-F28 WeakPolarHBondContact O-CB 3.3Å; E24-F28 PolarHBondContact O-N 3.21Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.02Å; F28-F31 HydrophobicContact CE2-CD1 4.46Å; F28-F31 WeakPolarHBondContact O-CB 3.44Å; F28-F31 PolarHBondContact O-N 3.05Å; F28-L32 HydrophobicContact CD1-CD1 3.79Å; F28-L32 HydrophobicContact CD1-CG 4.17Å; F28-L32 HydrophobicContact CE1-CD1 3.35Å; F28-L32 HydrophobicContact CE1-CD2 4.34Å; F28-L32 HydrophobicContact CE1-CG 3.84Å; F28-L32 HydrophobicContact CE2-CG 4.46Å; F28-L32 HydrophobicContact CZ-CD1 3.93Å; F28-L32 HydrophobicContact CZ-CD2 4.04Å; F28-L32 HydrophobicContact CZ-CG 3.98Å; F28-L32 WeakPolarHBondContact O-CB 3.37Å; F28-L32 WeakPolarHBondContact O-CG 3.44Å; F28-L32 PolarHBondContact O-N 3.29Å
29A78.8Confident81.2Confident15 Ų1583.7 Ų83.712%0.12444%0.439CS..Hα-helixtrans-63.4-42.7175.100000111.8G25 L26 F31 L32 M33 L40G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 3.27Å; L26-A29 WeakPolarHBondContact O-CB 3.09Å; L26-A29 PolarHBondContact O-N 2.88Å; L26-A29 VanDerWaalsContact O-N 3.15Å; A29-F31 VanDerWaalsContact C-N 3.34Å; A29-L32 PolarHBondContact O-N 3.45Å; A29-M33 WeakPolarHBondContact O-CB 3.36Å; A29-M33 WeakPolarHBondContact O-CG 3.43Å; A29-M33 PolarHBondContact O-N 3.01Å; A29-L40 HydrophobicContact CB-CD2 3.53Å; A29-L40 WeakPolarHBondContact O-CD2 3.34Å
30V79.2Confident79.9Confident80 Ų8084.8 Ų84.849%0.48544%0.441SS..Hα-helixtrans-61.7-44.3174.4170.70000110.1L26 D27 M33 I34L26-V30 WeakPolarHBondContact O-CB 3.3Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.41Å; L26-V30 PolarHBondContact O-N 3.46Å; D27-V30 PolarHBondContact O-N 2.95Å; V30-M33 PolarHBondContact O-N 3.35Å; V30-I34 PolarHBondContact O-N 3.24Å
31F79.7Confident78.2Confident110 Ų11088.7 Ų88.748%0.48246%0.458SS..Hα-helixtrans-58.6-48.8173.9177.7-97.4000112D27 F28 A29 M33 I34 F35D27-F31 WeakPolarHBondContact O-CB 3.43Å; D27-F31 PolarHBondContact O-N 2.82Å; F28-F31 HydrophobicContact CE2-CD1 4.46Å; F28-F31 WeakPolarHBondContact O-CB 3.44Å; F28-F31 PolarHBondContact O-N 3.05Å; A29-F31 VanDerWaalsContact C-N 3.34Å; F31-M33 VanDerWaalsContact C-N 3.32Å; F31-M33 PolarHBondContact O-N 3.16Å; F31-I34 WeakPolarHBondContact O-CB 3.5Å; F31-I34 PolarHBondContact O-N 3.09Å; F31-F35 HydrophobicContact CD1-CD2 4.48Å; F31-F35 HydrophobicContact CD1-CE2 4.25Å; F31-F35 HydrophobicContact CD2-CE2 4.23Å; F31-F35 HydrophobicContact CE1-CD2 4.17Å; F31-F35 AromaticContact CE1-CE2 3.7Å; F31-F35 HydrophobicContact CE1-CE2 3.7Å; F31-F35 AromaticContact CE2-CE2 3.69Å; F31-F35 HydrophobicContact CE2-CE2 3.69Å; F31-F35 HydrophobicContact CE2-CZ 4.36Å; F31-F35 HydrophobicContact CG-CE2 4.5Å; F31-F35 HydrophobicContact CZ-CD2 4.31Å; F31-F35 AromaticContact CZ-CE2 3.4Å; F31-F35 HydrophobicContact CZ-CE2 3.4Å; F31-F35 VanDerWaalsContact CZ-CE2 3.4Å; F31-F35 HydrophobicContact CZ-CZ 4.04Å; F31-F35 WeakPolarHBondContact O-CD2 3.48Å
32L80.1Confident76.7Confident22 Ų2288.8 Ų88.812%0.11548%0.477CS..Hα-helixtrans-63.5-35.5177.7-73.8-178.2000112.7F28 A29 I34 F35 S36 L39 L40F28-L32 HydrophobicContact CD1-CD1 3.79Å; F28-L32 HydrophobicContact CD1-CG 4.17Å; F28-L32 HydrophobicContact CE1-CD1 3.35Å; F28-L32 HydrophobicContact CE1-CD2 4.34Å; F28-L32 HydrophobicContact CE1-CG 3.84Å; F28-L32 HydrophobicContact CE2-CG 4.46Å; F28-L32 HydrophobicContact CZ-CD1 3.93Å; F28-L32 HydrophobicContact CZ-CD2 4.04Å; F28-L32 HydrophobicContact CZ-CG 3.98Å; F28-L32 WeakPolarHBondContact O-CB 3.37Å; F28-L32 WeakPolarHBondContact O-CG 3.44Å; F28-L32 PolarHBondContact O-N 3.29Å; A29-L32 PolarHBondContact O-N 3.45Å; L32-I34 PolarHBondContact O-N 3.13Å; L32-F35 PolarHBondContact O-N 3.36Å; L32-S36 CarbonylContact O-C 3.42Å; L32-S36 PolarHBondContact O-N 3.41Å; L32-L39 HydrophobicContact CB-CB 4.26Å; L32-L39 HydrophobicContact CD1-CB 3.97Å; L32-L39 WeakPolarHBondContact CD1-O 3.46Å; L32-L39 HydrophobicContact CD2-CB 3.93Å; L32-L39 HydrophobicContact CD2-CD1 3.9Å; L32-L39 HydrophobicContact CG-CB 4.3Å; L32-L40 HydrophobicContact CB-CD2 4.18Å
33M77.8Confident75.2Confident119 Ų11986.9 Ų86.959%0.58648%0.476SS*.Hα-helixtrans-60.2-29.2176.3-81.5-173.2-179.500112.8A29 V30 F31 F35 L40A29-M33 WeakPolarHBondContact O-CB 3.36Å; A29-M33 WeakPolarHBondContact O-CG 3.43Å; A29-M33 PolarHBondContact O-N 3.01Å; V30-M33 PolarHBondContact O-N 3.35Å; F31-M33 VanDerWaalsContact C-N 3.32Å; F31-M33 PolarHBondContact O-N 3.16Å; M33-F35 PolarHBondContact O-N 3.37Å; M33-L40 HydrophobicContact CE-CD1 3.44Å; M33-L40 VanDerWaalsContact CE-CD1 3.44Å; M33-L40 HydrophobicContact CG-CD1 3.8Å; M33-L40 HydrophobicContact CG-CD2 4.29Å; M33-L40 HydrophobicContact CG-CG 4.43Å; M33-L40 HydrophobicContact SD-CD1 4.49Å
34I83.1Confident74.5Confident130 Ų13085 Ų8567%0.66749%0.486SS*.Hα-helixtrans-65.3-31.4175.1-62.6167.4000111.1V30 F31 L32V30-I34 PolarHBondContact O-N 3.24Å; F31-I34 WeakPolarHBondContact O-CB 3.5Å; F31-I34 PolarHBondContact O-N 3.09Å; L32-I34 PolarHBondContact O-N 3.13Å
35F81.8Confident74.4Confident140 Ų14083.3 Ų83.361%0.61448%0.479SS*.Hα-helixtrans-94.4-50.3-179.6-65.3-82.7000112.7F31 L32 M33 L39F31-F35 HydrophobicContact CD1-CD2 4.48Å; F31-F35 HydrophobicContact CD1-CE2 4.25Å; F31-F35 HydrophobicContact CD2-CE2 4.23Å; F31-F35 HydrophobicContact CE1-CD2 4.17Å; F31-F35 AromaticContact CE1-CE2 3.7Å; F31-F35 HydrophobicContact CE1-CE2 3.7Å; F31-F35 AromaticContact CE2-CE2 3.69Å; F31-F35 HydrophobicContact CE2-CE2 3.69Å; F31-F35 HydrophobicContact CE2-CZ 4.36Å; F31-F35 HydrophobicContact CG-CE2 4.5Å; F31-F35 HydrophobicContact CZ-CD2 4.31Å; F31-F35 AromaticContact CZ-CE2 3.4Å; F31-F35 HydrophobicContact CZ-CE2 3.4Å; F31-F35 VanDerWaalsContact CZ-CE2 3.4Å; F31-F35 HydrophobicContact CZ-CZ 4.04Å; F31-F35 WeakPolarHBondContact O-CD2 3.48Å; L32-F35 PolarHBondContact O-N 3.36Å; M33-F35 PolarHBondContact O-N 3.37Å; F35-L39 HydrophobicContact CB-CD1 4.43Å
36S78.3Confident74.8Confident45 Ų4584.7 Ų84.732%0.31549%0.493SS..  trans-171.7130.3174.7176.20000111.7L32 S38 L39L32-S36 CarbonylContact O-C 3.42Å; L32-S36 PolarHBondContact O-N 3.41Å; S36-S38 PolarHBondContact O-N 2.9Å; S36-S38 VanDerWaalsContact O-N 3.12Å; S36-S38 WeakPolarHBondContact OG-CB 3.39Å; S36-S38 PolarHBondContact OG-N 2.97Å; S36-S38 VanDerWaalsContact OG-N 3.12Å; S36-S38 PolarHBondContact OG-OG 3.22Å; S36-L39 WeakPolarHBondContact O-CB 3.4Å; S36-L39 PolarHBondContact O-N 2.75Å; S36-L39 VanDerWaalsContact O-N 3.16Å
37A74.1Confident75.6Confident68 Ų6882.5 Ų82.556%0.56249%0.487SS*.G310 helixtrans-60.4-20.5171.900000113.7L39 L40A37-L39 PolarHBondContact O-N 3.12Å; A37-L40 HydrophobicContact CB-CD1 4.28Å; A37-L40 WeakPolarHBondContact O-CB 3.28Å; A37-L40 WeakPolarHBondContact O-CG 3.11Å; A37-L40 PolarHBondContact O-N 3.18Å
38S76.1Confident76.4Confident85 Ų8579.1 Ų79.159%0.59447%0.469SS*.G310 helixtrans-65.1-21.9177.668.10000113.3S36 L40S36-S38 PolarHBondContact O-N 2.9Å; S36-S38 VanDerWaalsContact O-N 3.12Å; S36-S38 WeakPolarHBondContact OG-CB 3.39Å; S36-S38 PolarHBondContact OG-N 2.97Å; S36-S38 VanDerWaalsContact OG-N 3.12Å; S36-S38 PolarHBondContact OG-OG 3.22Å; S38-L40 VanDerWaalsContact C-N 3.27Å; S38-L40 PolarHBondContact O-N 3.1Å
39L70.5Confident77.4Confident94 Ų9474.5 Ų74.549%0.49245%0.45SS..G310 helixtrans-77.9-9.9-179.4-62.1172.9000113.2L32 F35 S36 A37 K41L32-L39 HydrophobicContact CB-CB 4.26Å; L32-L39 HydrophobicContact CD1-CB 3.97Å; L32-L39 WeakPolarHBondContact CD1-O 3.46Å; L32-L39 HydrophobicContact CD2-CB 3.93Å; L32-L39 HydrophobicContact CD2-CD1 3.9Å; L32-L39 HydrophobicContact CG-CB 4.3Å; F35-L39 HydrophobicContact CB-CD1 4.43Å; S36-L39 WeakPolarHBondContact O-CB 3.4Å; S36-L39 PolarHBondContact O-N 2.75Å; S36-L39 VanDerWaalsContact O-N 3.16Å; A37-L39 PolarHBondContact O-N 3.12Å; L39-K41 PolarHBondContact O-N 2.87Å
40L67Low78.3Confident45 Ų4573.8 Ų73.824%0.23644%0.444CS..G310 helixtrans-71.4-12.2-176-67.5172.1000114.8A29 L32 M33 A37 S38 G42 A43A29-L40 HydrophobicContact CB-CD2 3.53Å; A29-L40 WeakPolarHBondContact O-CD2 3.34Å; L32-L40 HydrophobicContact CB-CD2 4.18Å; M33-L40 HydrophobicContact CE-CD1 3.44Å; M33-L40 VanDerWaalsContact CE-CD1 3.44Å; M33-L40 HydrophobicContact CG-CD1 3.8Å; M33-L40 HydrophobicContact CG-CD2 4.29Å; M33-L40 HydrophobicContact CG-CG 4.43Å; M33-L40 HydrophobicContact SD-CD1 4.49Å; A37-L40 HydrophobicContact CB-CD1 4.28Å; A37-L40 WeakPolarHBondContact O-CB 3.28Å; A37-L40 WeakPolarHBondContact O-CG 3.11Å; A37-L40 PolarHBondContact O-N 3.18Å; S38-L40 VanDerWaalsContact C-N 3.27Å; S38-L40 PolarHBondContact O-N 3.1Å; L40-G42 PolarHBondContact O-N 2.91Å; L40-A43 PolarHBondContact O-N 3.33Å
41K56.4Low79.2Confident204 Ų20470.2 Ų70.289%0.88742%0.422SS*.THydrogen-bonded Turntrans-71.475.9-176.4-71.5-174.4178-179.20111.2L39L39-K41 PolarHBondContact O-N 2.87Å
42G55.2Low80.1Confident75 Ų7565 Ų6577%0.77340%0.399SS*.THydrogen-bonded Turntrans164.7-14.3175.200000115.7L40 A44L40-G42 PolarHBondContact O-N 2.91Å; G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 2.89Å
43A57.2Low81Confident40 Ų4064.2 Ų64.233%0.33140%0.397SS..  trans-84.55.9-17200000115.2L40L40-A43 PolarHBondContact O-N 3.33Å
44A69.7Low82Confident97 Ų9759 Ų5980%0.80237%0.372SS*.PPolyproline II helixtrans-82.4127.3-170.500000112.8G42G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 2.89Å
45I80.5Confident82.7Confident60 Ų6058.6 Ų58.631%0.30836%0.362SS..PPolyproline II helixtrans-77129.3172.9-67.2-174.3000109.7L21 K22L21-I45 HydrophobicContact CB-CD1 3.57Å; L21-I45 WeakPolarHBondContact O-CD1 3.39Å; K22-I45 HydrophobicContact CB-CD1 3.74Å; K22-I45 HydrophobicContact CG-CD1 4.5Å
46G88.6Confident83.5Confident47 Ų4755.9 Ų55.949%0.48535%0.348SS..PPolyproline II helixtrans-59.8168.1177.600000114.1R18 T48R18-G46 VanDerWaalsContact NH2-C 3.31Å; R18-G46 PolarHBondContact NH2-O 3.45Å; G46-T48 PolarHBondContact O-N 2.91Å
47S95Very high84.4Confident63 Ų6358.4 Ų58.444%0.44135%0.351SS..PPolyproline II helixtrans-60.8140179.9-57.20000112.4T77S47-T77 WeakPolarHBondContact CA-OG1 3.49Å
48T97Very high85.5Confident10 Ų1060.2 Ų60.26%0.06136%0.359CS..  trans-124.5110.7177.4-50.80000108.3M1 R18 G46 V75 L76 T77M1-T48 HydrophobicContact CE-CG2 3.55Å; R18-T48 HydrophobicContact CG-CG2 4.19Å; R18-T48 PolarHBondContact NE-OG1 3.25Å; R18-T48 PolarHBondContact NH2-OG1 3.15Å; G46-T48 PolarHBondContact O-N 2.91Å; T48-V75 WeakPolarHBondContact CB-O 3.36Å; T48-L76 HydrophobicContact CG2-CD2 3.98Å; T48-T77 PolarHBondContact N-OG1 2.9Å; T48-T77 PolarHBondContact O-N 3.32Å
49V98.5Very high86.5Confident16 Ų1661.4 Ų61.410%0.09736%0.355CS..EExtended strand (participates in β ladder)trans-119.2131.2-174.9177.70000110.6M1 Y51 Q78 L107M1-V49 PolarHBondContact N-O 3.25Å; V49-Y51 HydrophobicContact CG1-CD2 4.13Å; V49-Y51 HydrophobicContact CG1-CE2 3.65Å; V49-Q78 HydrophobicContact CB-CB 4.41Å; V49-Q78 HydrophobicContact CG1-CB 3.93Å; V49-Q78 HydrophobicContact CG2-CB 3.95Å; V49-Q78 HydrophobicContact CG2-CG 4.22Å; V49-L107 HydrophobicContact CB-CD1 4.37Å; V49-L107 HydrophobicContact CG2-CD1 3.73Å
50L98.8Very high87.8Confident0 Ų059.1 Ų59.10%034%0.344CS..EExtended strand (participates in β ladder)trans-116.1127.3177178.963.5000110.9M1 I8 F11 I15 L67 L76 Q78 L79 H80M1-L50 HydrophobicContact CB-CD1 3.87Å; M1-L50 HydrophobicContact CE-CB 4.21Å; M1-L50 WeakPolarHBondContact O-CA 3.24Å; I8-L50 HydrophobicContact CD1-CD1 3.75Å; I8-L50 HydrophobicContact CD1-CD2 3.49Å; I8-L50 VanDerWaalsContact CD1-CD2 3.49Å; I8-L50 HydrophobicContact CD1-CG 4.22Å; F11-L50 HydrophobicContact CB-CD1 4.41Å; F11-L50 HydrophobicContact CD2-CD1 4.12Å; I15-L50 HydrophobicContact CD1-CD2 4.09Å; L50-L67 HydrophobicContact CD2-CD1 4.4Å; L50-L67 HydrophobicContact CD2-CD2 3.59Å; L50-L76 HydrophobicContact CB-CD2 3.95Å; L50-L76 HydrophobicContact CD2-CD1 4.5Å; L50-Q78 PolarHBondContact N-O 2.97Å; L50-Q78 VanDerWaalsContact N-O 3.07Å; L50-L79 HydrophobicContact CB-CD1 4.19Å; L50-L79 HydrophobicContact CD2-CD1 3.75Å; L50-L79 HydrophobicContact CG-CD1 4.14Å; L50-H80 PolarHBondContact O-N 2.85Å
51Y98.9Very high89.3Confident4 Ų458 Ų582%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-103.3107.6162.6-67.4-96.4000108.2M1 I2 G3 V49 H80 L96 M97 N100 F104M1-Y51 PolarHBondContact O-N 2.69Å; I2-Y51 WeakPolarHBondContact CA-O 3.46Å; I2-Y51 HydrophobicContact CG1-CD2 4.2Å; I2-Y51 HydrophobicContact CG1-CG 4.44Å; G3-Y51 PolarHBondContact N-O 3.08Å; V49-Y51 HydrophobicContact CG1-CD2 4.13Å; V49-Y51 HydrophobicContact CG1-CE2 3.65Å; Y51-H80 CarbonylContact C-O 3.54Å; Y51-H80 WeakPolarHBondContact CA-O 3.32Å; Y51-H80 HydrophobicContact CD1-CB 3.54Å; Y51-H80 AromaticContact CD1-CG 4Å; Y51-H80 HydrophobicContact CE1-CB 3.76Å; Y51-H80 AromaticContact CE1-CD2 3.54Å; Y51-H80 AromaticContact CE1-CG 3.69Å; Y51-H80 AromaticContact CE2-CD2 4Å; Y51-H80 HydrophobicContact CG-CB 4.16Å; Y51-H80 AromaticContact CZ-CD2 3.5Å; Y51-L96 HydrophobicContact CD1-CB 3.8Å; Y51-L96 HydrophobicContact CE1-CB 3.97Å; Y51-M97 HydrophobicContact CD1-CG 3.94Å; Y51-M97 HydrophobicContact CD2-CG 4.48Å; Y51-M97 HydrophobicContact CE1-CB 4.49Å; Y51-M97 HydrophobicContact CE1-CG 3.98Å; Y51-M97 HydrophobicContact CG-CG 4.21Å; Y51-N100 WeakPolarHBondContact OH-CB 3.42Å; Y51-F104 AromaticContact CE2-CD2 3.84Å; Y51-F104 HydrophobicContact CE2-CD2 3.84Å; Y51-F104 AromaticContact CE2-CE2 3.93Å; Y51-F104 HydrophobicContact CE2-CE2 3.93Å; Y51-F104 AromaticContact CZ-CD2 3.97Å
52Y98.8Very high91.3Very high0 Ų051.5 Ų51.50%031%0.311CS..EExtended strand (participates in β ladder)trans-110.5158.3178.4-179.3-111.2000110.1G3 I8 C54 D60 Y61 L62 H80 V81 A82 V93G3-Y52 VanDerWaalsContact O-CD2 3.22Å; G3-Y52 WeakPolarHBondContact O-CD2 3.41Å; I8-Y52 HydrophobicContact CB-CD2 3.97Å; I8-Y52 HydrophobicContact CB-CE2 3.8Å; I8-Y52 HydrophobicContact CD1-CD2 3.99Å; I8-Y52 HydrophobicContact CG1-CD2 4.13Å; I8-Y52 HydrophobicContact CG1-CE2 4.24Å; I8-Y52 HydrophobicContact CG2-CE2 4.13Å; Y52-C54 HydrophobicContact CE1-CB 3.9Å; Y52-D60 PolarHBondContact OH-O 3.3Å; Y52-Y61 AromaticContact CD1-CD2 3.78Å; Y52-Y61 HydrophobicContact CD1-CD2 3.78Å; Y52-Y61 AromaticContact CD1-CE2 3.59Å; Y52-Y61 HydrophobicContact CD1-CE2 3.59Å; Y52-Y61 AromaticContact CE1-CD2 3.35Å; Y52-Y61 HydrophobicContact CE1-CD2 3.35Å; Y52-Y61 AromaticContact CE1-CE2 3.68Å; Y52-Y61 HydrophobicContact CE1-CE2 3.68Å; Y52-Y61 HydrophobicContact CE1-CG 4.33Å; Y52-L62 WeakPolarHBondContact OH-CB 3.46Å; Y52-L62 WeakPolarHBondContact OH-CG 3.39Å; Y52-L62 PolarHBondContact OH-N 3.31Å; Y52-H80 PolarHBondContact N-O 2.98Å; Y52-V81 HydrophobicContact CD1-CG1 3.84Å; Y52-V81 CarbonylContact O-C 3.54Å; Y52-V81 WeakPolarHBondContact O-CA 3.19Å; Y52-A82 PolarHBondContact O-N 2.67Å; Y52-V93 WeakPolarHBondContact O-CG1 3.49Å
53G98.4Very high93.3Very high7 Ų752.5 Ų52.57%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-154.2142.5174.900000111.9P4 G5 A82P4-G53 CarbonylContact C-O 3.56Å; P4-G53 WeakPolarHBondContact CA-O 3.4Å; P4-G53 WeakPolarHBondContact CB-O 3.06Å; G5-G53 PolarHBondContact N-O 3.48Å; G53-A82 CarbonylContact C-O 3.57Å; G53-A82 WeakPolarHBondContact CA-O 3.08Å
54C98.4Very high95.3Very high10 Ų1055.3 Ų55.37%0.06829%0.294CS..EExtended strand (participates in β ladder)trans-145.3-174.2176.268.40000109.9Y52 D60 A82 F83 S84Y52-C54 HydrophobicContact CE1-CB 3.9Å; C54-D60 WeakPolarHBondContact CB-O 3.37Å; C54-D60 VanDerWaalsContact CB-OD1 3.28Å; C54-D60 WeakPolarHBondContact CB-OD1 3.48Å; C54-A82 PolarHBondContact N-O 3.09Å; C54-F83 VanDerWaalsContact SG-CD1 3.55Å; C54-S84 PolarHBondContact O-N 3.32Å; C54-S84 PolarHBondContact O-OG 3.19Å
55R98.1Very high96.6Very high121 Ų12157.9 Ų57.946%0.45729%0.29SS..SBendtrans-76.7-56.2178.9-65.4170.5-177.4-179.63.5110.4D60 S84 R85R55-D60 WeakPolarHBondContact CA-OD1 3.44Å; R55-D60 WeakPolarHBondContact CB-OD1 3.32Å; R55-D60 VanDerWaalsContact CB-OD2 3.26Å; R55-D60 WeakPolarHBondContact CB-OD2 3.42Å; R55-D60 VanDerWaalsContact CD-OD2 3.29Å; R55-D60 WeakPolarHBondContact CD-OD2 3.42Å; R55-D60 WeakPolarHBondContact CG-OD2 3.49Å; R55-D60 PolarHBondContact N-OD1 3.11Å; R55-D60 PolarHBondContact N-OD2 3.32Å; R55-D60 VanDerWaalsContact N-OD2 3.15Å; R55-D60 IonicContact NE-OD2 3.64Å; R55-S84 WeakPolarHBondContact CA-OG 3.24Å; R55-S84 PolarHBondContact O-N 3.16Å; R55-R85 HydrophobicContact CB-CG 4.02Å; R55-R85 HydrophobicContact CG-CG 4.35Å; R55-R85 WeakPolarHBondContact O-CA 3.29Å; R55-R85 WeakPolarHBondContact O-CB 3.13Å; R55-R85 PolarHBondContact O-N 2.87Å
56R98.1Very high97.5Very high83 Ų8357.8 Ų57.831%0.31329%0.288SS..  trans-145.8149-179-59-167.9178.889.1-3.8110.7S58 E59 D60 R85 E86R56-S58 PolarHBondContact O-N 3.26Å; R56-E59 HydrophobicContact CB-CB 4.15Å; R56-E59 HydrophobicContact CB-CG 4.01Å; R56-E59 WeakPolarHBondContact CD-OE1 3.46Å; R56-E59 HydrophobicContact CG-CG 4.49Å; R56-E59 IonicContact CZ-OE1 2.75Å; R56-E59 IonicContact NE-OE1 3.59Å; R56-E59 IonicContact NH1-OE1 2.82Å; R56-E59 PolarHBondContact NH1-OE1 3.03Å; R56-E59 IonicContact NH1-OE2 2.89Å; R56-E59 PolarHBondContact NH1-OE2 3.12Å; R56-E59 PolarHBondContact O-N 2.81Å; R56-E59 VanDerWaalsContact O-N 3.14Å; R56-D60 PolarHBondContact N-OD1 3.04Å; R56-D60 VanDerWaalsContact N-OD1 3.08Å; R56-D60 PolarHBondContact O-N 3.29Å; R56-R85 HydrophobicContact CG-CB 4.07Å; R56-R85 PolarHBondContact NE-O 3.32Å; R56-R85 PolarHBondContact NH2-O 3.22Å; R56-E86 HydrophobicContact CB-CG 4.25Å; R56-E86 HydrophobicContact CG-CG 4.15Å
57R97Very high97.9Very high98 Ų9855.6 Ų55.637%0.3727%0.265SS..THydrogen-bonded Turntrans-56.9-33.7177.3-173.7-179-66.4-907.4112.6Y61 E68 F83 E86R57-Y61 HydrophobicContact CG-CD1 4.07Å; R57-E68 IonicContact NH1-OE1 3.73Å; R57-F83 VanDerWaalsContact CA-CE1 3.49Å; R57-F83 HydrophobicContact CB-CD1 4.01Å; R57-F83 HydrophobicContact CB-CE1 3.57Å; R57-F83 HydrophobicContact CB-CZ 3.9Å; R57-F83 HydrophobicContact CG-CE1 4.14Å; R57-F83 HydrophobicContact CG-CZ 4.12Å; R57-F83 VanDerWaalsContact CZ-CZ 3.42Å; R57-F83 VanDerWaalsContact N-CD1 3.34Å; R57-E86 WeakPolarHBondContact CB-OE1 3.26Å; R57-E86 PolarHBondContact N-OE1 3.15Å
58S96.9Very high98.1Very high106 Ų10655.7 Ų55.774%0.74126%0.258SS*.THydrogen-bonded Turntrans-89.9-5.3-17861.20000114.8R56R56-S58 PolarHBondContact O-N 3.26Å
59E97.1Very high98.2Very high109 Ų10959.7 Ų59.751%0.50928%0.28SS..THydrogen-bonded Turntrans-110.9-59-173.3-70.5179.9-171.100112.2R56R56-E59 HydrophobicContact CB-CB 4.15Å; R56-E59 HydrophobicContact CB-CG 4.01Å; R56-E59 WeakPolarHBondContact CD-OE1 3.46Å; R56-E59 HydrophobicContact CG-CG 4.49Å; R56-E59 IonicContact CZ-OE1 2.75Å; R56-E59 IonicContact NE-OE1 3.59Å; R56-E59 IonicContact NH1-OE1 2.82Å; R56-E59 PolarHBondContact NH1-OE1 3.03Å; R56-E59 IonicContact NH1-OE2 2.89Å; R56-E59 PolarHBondContact NH1-OE2 3.12Å; R56-E59 PolarHBondContact O-N 2.81Å; R56-E59 VanDerWaalsContact O-N 3.14Å
60D98Very high98.1Very high47 Ų4760.4 Ų60.425%0.25128%0.28SS..  trans-139.928.4-163.162.7-11.8000112.8Y52 C54 R55 R56 L62Y52-D60 PolarHBondContact OH-O 3.3Å; C54-D60 WeakPolarHBondContact CB-O 3.37Å; C54-D60 VanDerWaalsContact CB-OD1 3.28Å; C54-D60 WeakPolarHBondContact CB-OD1 3.48Å; R55-D60 WeakPolarHBondContact CA-OD1 3.44Å; R55-D60 WeakPolarHBondContact CB-OD1 3.32Å; R55-D60 VanDerWaalsContact CB-OD2 3.26Å; R55-D60 WeakPolarHBondContact CB-OD2 3.42Å; R55-D60 VanDerWaalsContact CD-OD2 3.29Å; R55-D60 WeakPolarHBondContact CD-OD2 3.42Å; R55-D60 WeakPolarHBondContact CG-OD2 3.49Å; R55-D60 PolarHBondContact N-OD1 3.11Å; R55-D60 PolarHBondContact N-OD2 3.32Å; R55-D60 VanDerWaalsContact N-OD2 3.15Å; R55-D60 IonicContact NE-OD2 3.64Å; R56-D60 PolarHBondContact N-OD1 3.04Å; R56-D60 VanDerWaalsContact N-OD1 3.08Å; R56-D60 PolarHBondContact O-N 3.29Å; D60-L62 VanDerWaalsContact C-N 3.3Å; D60-L62 PolarHBondContact O-N 3.21Å
61Y98.3Very high98.1Very high20 Ų2063.8 Ų63.88%0.07830%0.298CS..  trans-75.484.3171.5-167.2175.6000110.5Y52 R57 Y63 R64 L67 V81 F83Y52-Y61 AromaticContact CD1-CD2 3.78Å; Y52-Y61 HydrophobicContact CD1-CD2 3.78Å; Y52-Y61 AromaticContact CD1-CE2 3.59Å; Y52-Y61 HydrophobicContact CD1-CE2 3.59Å; Y52-Y61 AromaticContact CE1-CD2 3.35Å; Y52-Y61 HydrophobicContact CE1-CD2 3.35Å; Y52-Y61 AromaticContact CE1-CE2 3.68Å; Y52-Y61 HydrophobicContact CE1-CE2 3.68Å; Y52-Y61 HydrophobicContact CE1-CG 4.33Å; R57-Y61 HydrophobicContact CG-CD1 4.07Å; Y61-Y63 PolarHBondContact O-N 3.44Å; Y61-R64 HydrophobicContact CD1-CB 3.87Å; Y61-R64 HydrophobicContact CD1-CG 3.6Å; Y61-R64 HydrophobicContact CD2-CB 4.07Å; Y61-R64 HydrophobicContact CE1-CB 4.18Å; Y61-R64 HydrophobicContact CE1-CG 3.67Å; Y61-R64 HydrophobicContact CE2-CB 4.38Å; Y61-R64 HydrophobicContact CG-CB 3.81Å; Y61-R64 HydrophobicContact CG-CG 4.09Å; Y61-R64 WeakPolarHBondContact O-CB 3.28Å; Y61-R64 PolarHBondContact O-N 3.08Å; Y61-L67 HydrophobicContact CE2-CD1 3.78Å; Y61-V81 HydrophobicContact CE1-CG1 4.45Å; Y61-V81 HydrophobicContact CE1-CG2 4.49Å; Y61-V81 HydrophobicContact CE2-CG1 4.4Å; Y61-V81 HydrophobicContact CE2-CG2 4.38Å; Y61-V81 WeakPolarHBondContact OH-CG2 3.49Å; Y61-F83 AromaticContact CD1-CE1 3.95Å; Y61-F83 HydrophobicContact CD1-CE1 3.95Å; Y61-F83 HydrophobicContact CD1-CZ 4.09Å; Y61-F83 HydrophobicContact CE1-CE1 4.36Å; Y61-F83 HydrophobicContact CE1-CZ 4.08Å; Y61-F83 HydrophobicContact CG-CE1 4.4Å
62L98.5Very high98Very high68 Ų6867.6 Ų67.636%0.35633%0.331SS..THydrogen-bonded Turntrans-59.5135.9-179.8-56.8179.6000111.3I8 Y52 D60 R64I8-L62 HydrophobicContact CG2-CB 4.34Å; I8-L62 HydrophobicContact CG2-CD1 4.1Å; Y52-L62 WeakPolarHBondContact OH-CB 3.46Å; Y52-L62 WeakPolarHBondContact OH-CG 3.39Å; Y52-L62 PolarHBondContact OH-N 3.31Å; D60-L62 VanDerWaalsContact C-N 3.3Å; D60-L62 PolarHBondContact O-N 3.21Å; L62-R64 PolarHBondContact O-N 3.29Å
63Y98.2Very high97.8Very high96 Ų9672.8 Ų72.838%0.37636%0.358SS..THydrogen-bonded Turntrans56.127.5177.9-47.1-63.7000114.5I8 R12 Y61 E65 E66 L67I8-Y63 HydrophobicContact CG1-CD2 4.29Å; I8-Y63 HydrophobicContact CG2-CD2 3.96Å; I8-Y63 HydrophobicContact CG2-CE2 3.84Å; R12-Y63 VanDerWaalsContact CD-CE1 3.49Å; Y61-Y63 PolarHBondContact O-N 3.44Å; Y63-E65 PolarHBondContact O-N 3.23Å; Y63-E66 WeakPolarHBondContact CD1-OE1 3.16Å; Y63-E66 PolarHBondContact O-N 3.11Å; Y63-E66 VanDerWaalsContact O-N 3.15Å; Y63-L67 WeakPolarHBondContact O-CB 3.45Å; Y63-L67 VanDerWaalsContact O-CG 3.31Å; Y63-L67 WeakPolarHBondContact O-CG 3.26Å; Y63-L67 PolarHBondContact O-N 2.93Å
64R98.2Very high97.6Very high100 Ų10074 Ų7438%0.37737%0.371SS..Hα-helixtrans-47-55.5-176.2176.7177.4176.6-160.6-12.4113.2Y61 L62 E66 L67 E68Y61-R64 HydrophobicContact CD1-CB 3.87Å; Y61-R64 HydrophobicContact CD1-CG 3.6Å; Y61-R64 HydrophobicContact CD2-CB 4.07Å; Y61-R64 HydrophobicContact CE1-CB 4.18Å; Y61-R64 HydrophobicContact CE1-CG 3.67Å; Y61-R64 HydrophobicContact CE2-CB 4.38Å; Y61-R64 HydrophobicContact CG-CB 3.81Å; Y61-R64 HydrophobicContact CG-CG 4.09Å; Y61-R64 WeakPolarHBondContact O-CB 3.28Å; Y61-R64 PolarHBondContact O-N 3.08Å; L62-R64 PolarHBondContact O-N 3.29Å; R64-E66 PolarHBondContact O-N 3.38Å; R64-L67 PolarHBondContact O-N 2.98Å; R64-E68 HydrophobicContact CG-CG 4.35Å; R64-E68 WeakPolarHBondContact CG-OE1 3.42Å; R64-E68 IonicContact CZ-OE1 3.22Å; R64-E68 IonicContact NE-OE1 3.81Å; R64-E68 PolarHBondContact NE-OE1 3.15Å; R64-E68 IonicContact NE-OE2 2.73Å; R64-E68 IonicContact NH2-OE1 3.93Å; R64-E68 IonicContact NH2-OE2 3.95Å; R64-E68 WeakPolarHBondContact O-CB 3.29Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.05Å
65E98.1Very high97.4Very high151 Ų15174.1 Ų74.171%0.70637%0.371SS*.Hα-helixtrans-62.2-43.6-177.4-65.8178.1-173.400111.6Y63 L67 E68 N69Y63-E65 PolarHBondContact O-N 3.23Å; E65-L67 PolarHBondContact O-N 3.47Å; E65-E68 PolarHBondContact O-N 3.43Å; E65-N69 VanDerWaalsContact O-CB 3.25Å; E65-N69 WeakPolarHBondContact O-CB 3.39Å; E65-N69 PolarHBondContact O-N 2.82Å; E65-N69 PolarHBondContact O-ND2 2.82Å
66E98Very high97.4Very high58 Ų5868.4 Ų68.427%0.27135%0.35SS..Hα-helixtrans-61.7-44.4176.7-65.2-178.8-97.500111.8R12 Y63 R64 N69 W70R12-E66 IonicContact CZ-OE1 3.58Å; R12-E66 IonicContact CZ-OE2 3.36Å; R12-E66 IonicContact NE-OE1 3.12Å; R12-E66 PolarHBondContact NE-OE1 3.48Å; R12-E66 VanDerWaalsContact NE-OE1 3.12Å; R12-E66 IonicContact NE-OE2 3.15Å; R12-E66 PolarHBondContact NE-OE2 3.31Å; R12-E66 VanDerWaalsContact NE-OE2 3.15Å; R12-E66 IonicContact NH2-OE1 3.18Å; R12-E66 PolarHBondContact NH2-OE1 2.98Å; R12-E66 IonicContact NH2-OE2 2.76Å; R12-E66 PolarHBondContact NH2-OE2 2.91Å; Y63-E66 WeakPolarHBondContact CD1-OE1 3.16Å; Y63-E66 PolarHBondContact O-N 3.11Å; Y63-E66 VanDerWaalsContact O-N 3.15Å; R64-E66 PolarHBondContact O-N 3.38Å; E66-N69 PolarHBondContact O-N 3.26Å; E66-W70 HydrophobicContact CB-CE3 4.21Å; E66-W70 HydrophobicContact CB-CH2 4.01Å; E66-W70 HydrophobicContact CB-CZ2 4.41Å; E66-W70 HydrophobicContact CB-CZ3 3.91Å; E66-W70 WeakPolarHBondContact O-CB 3.29Å; E66-W70 VanDerWaalsContact O-CD2 3.27Å; E66-W70 VanDerWaalsContact O-CG 3.32Å; E66-W70 PolarHBondContact O-N 2.89Å
67L98.5Very high97.3Very high1 Ų167.8 Ų67.81%0.00536%0.355CS..Hα-helixtrans-67.5-43.4-179.7-68.6172.7000112.1I15 L50 Y61 Y63 R64 E65 W70 L71 L76 L79I15-L67 HydrophobicContact CD1-CD2 3.94Å; L50-L67 HydrophobicContact CD2-CD1 4.4Å; L50-L67 HydrophobicContact CD2-CD2 3.59Å; Y61-L67 HydrophobicContact CE2-CD1 3.78Å; Y63-L67 WeakPolarHBondContact O-CB 3.45Å; Y63-L67 VanDerWaalsContact O-CG 3.31Å; Y63-L67 WeakPolarHBondContact O-CG 3.26Å; Y63-L67 PolarHBondContact O-N 2.93Å; R64-L67 PolarHBondContact O-N 2.98Å; E65-L67 PolarHBondContact O-N 3.47Å; L67-W70 HydrophobicContact CD2-CE3 4.03Å; L67-W70 HydrophobicContact CD2-CZ3 4.18Å; L67-W70 PolarHBondContact O-N 3.23Å; L67-L71 PolarHBondContact O-N 3.02Å; L67-L76 HydrophobicContact CD2-CD1 4.08Å; L67-L79 HydrophobicContact CB-CD2 3.97Å
68E98.3Very high97.4Very high64 Ų6465.8 Ų65.830%0.29935%0.35SS..Hα-helixtrans-65.5-39.8176.7-71.5177.4-177.600110.6R57 R64 E65 L71 A72R57-E68 IonicContact NH1-OE1 3.73Å; R64-E68 HydrophobicContact CG-CG 4.35Å; R64-E68 WeakPolarHBondContact CG-OE1 3.42Å; R64-E68 IonicContact CZ-OE1 3.22Å; R64-E68 IonicContact NE-OE1 3.81Å; R64-E68 PolarHBondContact NE-OE1 3.15Å; R64-E68 IonicContact NE-OE2 2.73Å; R64-E68 IonicContact NH2-OE1 3.93Å; R64-E68 IonicContact NH2-OE2 3.95Å; R64-E68 WeakPolarHBondContact O-CB 3.29Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.05Å; E65-E68 PolarHBondContact O-N 3.43Å; E68-L71 PolarHBondContact O-N 3.25Å; E68-A72 PolarHBondContact O-N 3.39Å
69N98.4Very high97.5Very high95 Ų9562.2 Ų62.251%0.50832%0.323SS..Hα-helixtrans-64.9-45.9173.6-70.7-19.1000112.1E65 E66 L71 A72 D73E65-N69 VanDerWaalsContact O-CB 3.25Å; E65-N69 WeakPolarHBondContact O-CB 3.39Å; E65-N69 PolarHBondContact O-N 2.82Å; E65-N69 PolarHBondContact O-ND2 2.82Å; E66-N69 PolarHBondContact O-N 3.26Å; N69-L71 PolarHBondContact O-N 2.97Å; N69-A72 PolarHBondContact O-N 3.46Å; N69-A72 VanDerWaalsContact O-N 3.08Å; N69-D73 WeakPolarHBondContact O-CB 3.39Å; N69-D73 PolarHBondContact O-N 2.82Å
70W97.6Very high97.6Very high30 Ų3058.4 Ų58.411%0.11431%0.305CS..Hα-helixtrans-64.3-28.4176.6-74.3-34.1000113.5R12 I15 Q16 E66 L67 G74 V75 L76R12-W70 HydrophobicContact CG-CH2 3.98Å; R12-W70 HydrophobicContact CG-CZ3 4.37Å; I15-W70 HydrophobicContact CB-CD2 4.36Å; I15-W70 HydrophobicContact CB-CE3 3.99Å; I15-W70 HydrophobicContact CB-CZ3 4.1Å; I15-W70 HydrophobicContact CD1-CE3 4.33Å; I15-W70 HydrophobicContact CD1-CZ3 4.43Å; I15-W70 HydrophobicContact CG2-CB 4.05Å; I15-W70 HydrophobicContact CG2-CD2 3.33Å; I15-W70 HydrophobicContact CG2-CE3 3.31Å; I15-W70 HydrophobicContact CG2-CG 3.68Å; I15-W70 HydrophobicContact CG2-CH2 4.47Å; I15-W70 HydrophobicContact CG2-CZ2 4.49Å; I15-W70 HydrophobicContact CG2-CZ3 3.92Å; Q16-W70 HydrophobicContact CG-CH2 3.87Å; Q16-W70 HydrophobicContact CG-CZ2 3.62Å; E66-W70 HydrophobicContact CB-CE3 4.21Å; E66-W70 HydrophobicContact CB-CH2 4.01Å; E66-W70 HydrophobicContact CB-CZ2 4.41Å; E66-W70 HydrophobicContact CB-CZ3 3.91Å; E66-W70 WeakPolarHBondContact O-CB 3.29Å; E66-W70 VanDerWaalsContact O-CD2 3.27Å; E66-W70 VanDerWaalsContact O-CG 3.32Å; E66-W70 PolarHBondContact O-N 2.89Å; L67-W70 HydrophobicContact CD2-CE3 4.03Å; L67-W70 HydrophobicContact CD2-CZ3 4.18Å; L67-W70 PolarHBondContact O-N 3.23Å; W70-G74 PolarHBondContact O-N 3.01Å; W70-V75 HydrophobicContact CB-CB 4.09Å; W70-V75 HydrophobicContact CG-CB 4.34Å; W70-V75 WeakPolarHBondContact O-CA 3.42Å; W70-V75 WeakPolarHBondContact O-CB 3.41Å; W70-V75 PolarHBondContact O-N 2.97Å; W70-L76 HydrophobicContact CB-CD1 4.23Å; W70-L76 HydrophobicContact CB-CG 4.23Å; W70-L76 PolarHBondContact O-N 3.28Å
71L98Very high97.6Very high72 Ų7257.5 Ų57.538%0.37730%0.301SS..Hα-helixtrans-69.5-46.4169.7-177.768.5000110.9L67 E68 N69 D73 G74 L76 L79L67-L71 PolarHBondContact O-N 3.02Å; E68-L71 PolarHBondContact O-N 3.25Å; N69-L71 PolarHBondContact O-N 2.97Å; L71-D73 VanDerWaalsContact C-N 3.34Å; L71-D73 PolarHBondContact O-N 3.29Å; L71-G74 WeakPolarHBondContact O-CA 3.43Å; L71-G74 PolarHBondContact O-N 3.22Å; L71-L76 HydrophobicContact CB-CB 4.49Å; L71-L76 HydrophobicContact CD1-CB 4.36Å; L71-L79 HydrophobicContact CD1-CB 4.09Å; L71-L79 HydrophobicContact CD2-CB 4.04Å; L71-L79 HydrophobicContact CD2-CD2 4.41Å; L71-L79 HydrophobicContact CG-CB 4.46Å
72A97.6Very high97.6Very high84 Ų8456.6 Ų56.669%0.69430%0.297SS*.Hα-helixtrans-62.4-41.3179.600000112.1E68 N69 G74E68-A72 PolarHBondContact O-N 3.39Å; N69-A72 PolarHBondContact O-N 3.46Å; N69-A72 VanDerWaalsContact O-N 3.08Å; A72-G74 PolarHBondContact O-N 2.73Å
73D93.5Very high97.6Very high108 Ų10854 Ų5458%0.57828%0.284SS*.THydrogen-bonded Turntrans-74.1-6175.7-67.5-17.9000112.6K22 N69 L71 V75K22-D73 PolarHBondContact NZ-O 3.42Å; N69-D73 WeakPolarHBondContact O-CB 3.39Å; N69-D73 PolarHBondContact O-N 2.82Å; L71-D73 VanDerWaalsContact C-N 3.34Å; L71-D73 PolarHBondContact O-N 3.29Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 HydrophobicContact CB-CG2 4.29Å; D73-V75 PolarHBondContact O-N 2.89Å
74G94Very high97.6Very high33 Ų3350.2 Ų50.234%0.3427%0.271SS..THydrogen-bonded Turntrans66.323.6-178.800000114.4K22 W70 L71 A72K22-G74 PolarHBondContact NZ-O 3.21Å; W70-G74 PolarHBondContact O-N 3.01Å; L71-G74 WeakPolarHBondContact O-CA 3.43Å; L71-G74 PolarHBondContact O-N 3.22Å; A72-G74 PolarHBondContact O-N 2.73Å
75V95.2Very high97.6Very high12 Ų1250.2 Ų50.27%0.07327%0.271CS..SBendtrans-71.2-48.6168.2177.20000108.9I15 R18 A19 K22 T48 W70 D73I15-V75 HydrophobicContact CG2-CG1 3.79Å; R18-V75 HydrophobicContact CB-CG1 3.95Å; A19-V75 HydrophobicContact CB-CB 4.48Å; A19-V75 HydrophobicContact CB-CG1 3.85Å; A19-V75 HydrophobicContact CB-CG2 3.84Å; K22-V75 HydrophobicContact CD-CG2 4.09Å; T48-V75 WeakPolarHBondContact CB-O 3.36Å; W70-V75 HydrophobicContact CB-CB 4.09Å; W70-V75 HydrophobicContact CG-CB 4.34Å; W70-V75 WeakPolarHBondContact O-CA 3.42Å; W70-V75 WeakPolarHBondContact O-CB 3.41Å; W70-V75 PolarHBondContact O-N 2.97Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 HydrophobicContact CB-CG2 4.29Å; D73-V75 PolarHBondContact O-N 2.89Å
76L97.7Very high97.5Very high1 Ų147.3 Ų47.31%0.00526%0.257CS..SBendtrans-82124162.2-74.1173.9000108.2M1 I15 T48 L50 L67 W70 L71 L79M1-L76 HydrophobicContact CE-CD2 4.11Å; I15-L76 HydrophobicContact CD1-CD1 4.2Å; I15-L76 HydrophobicContact CD1-CD2 3.86Å; I15-L76 HydrophobicContact CD1-CG 4.31Å; I15-L76 HydrophobicContact CG1-CD2 3.92Å; I15-L76 HydrophobicContact CG1-CG 4.48Å; I15-L76 HydrophobicContact CG2-CD2 4.45Å; I15-L76 HydrophobicContact CG2-CG 4.2Å; T48-L76 HydrophobicContact CG2-CD2 3.98Å; L50-L76 HydrophobicContact CB-CD2 3.95Å; L50-L76 HydrophobicContact CD2-CD1 4.5Å; L67-L76 HydrophobicContact CD2-CD1 4.08Å; W70-L76 HydrophobicContact CB-CD1 4.23Å; W70-L76 HydrophobicContact CB-CG 4.23Å; W70-L76 PolarHBondContact O-N 3.28Å; L71-L76 HydrophobicContact CB-CB 4.49Å; L71-L76 HydrophobicContact CD1-CB 4.36Å; L76-L79 HydrophobicContact CD1-CB 4.45Å; L76-L79 HydrophobicContact CD1-CD1 4.32Å
77T97.2Very high97.4Very high71 Ų7148.5 Ų48.544%0.43626%0.263SS..SBendtrans-75.6-34.9172.6-46.60000110.9S47 T48S47-T77 WeakPolarHBondContact CA-OG1 3.49Å; T48-T77 PolarHBondContact N-OG1 2.9Å; T48-T77 PolarHBondContact O-N 3.32Å
78Q98.2Very high97.3Very high56 Ų5657 Ų5726%0.26230%0.303SS..EExtended strand (participates in β ladder)trans-146.9141.7175.7-611771.500109.9V49 L50 H80 S103V49-Q78 HydrophobicContact CB-CB 4.41Å; V49-Q78 HydrophobicContact CG1-CB 3.93Å; V49-Q78 HydrophobicContact CG2-CB 3.95Å; V49-Q78 HydrophobicContact CG2-CG 4.22Å; L50-Q78 PolarHBondContact N-O 2.97Å; L50-Q78 VanDerWaalsContact N-O 3.07Å; Q78-H80 PolarHBondContact OE1-NE2 3.1Å; Q78-S103 PolarHBondContact NE2-OG 3.09Å
79L98.6Very high97.2Very high30 Ų3060.6 Ų60.616%0.15732%0.319CS..EExtended strand (participates in β ladder)trans-127.4109.6174.8175.559.7000108.7L50 L67 L71 L76 V81L50-L79 HydrophobicContact CB-CD1 4.19Å; L50-L79 HydrophobicContact CD2-CD1 3.75Å; L50-L79 HydrophobicContact CG-CD1 4.14Å; L67-L79 HydrophobicContact CB-CD2 3.97Å; L71-L79 HydrophobicContact CD1-CB 4.09Å; L71-L79 HydrophobicContact CD2-CB 4.04Å; L71-L79 HydrophobicContact CD2-CD2 4.41Å; L71-L79 HydrophobicContact CG-CB 4.46Å; L76-L79 HydrophobicContact CD1-CB 4.45Å; L76-L79 HydrophobicContact CD1-CD1 4.32Å; L79-V81 HydrophobicContact CD1-CG2 4Å; L79-V81 HydrophobicContact CD2-CG2 4.46Å; L79-V81 HydrophobicContact CG-CG2 3.88Å
80H98.7Very high97.2Very high30 Ų3060.6 Ų60.614%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-106.5117.8179.6-64.7-69.9000108.7L50 Y51 Y52 Q78 L96 N100L50-H80 PolarHBondContact O-N 2.85Å; Y51-H80 CarbonylContact C-O 3.54Å; Y51-H80 WeakPolarHBondContact CA-O 3.32Å; Y51-H80 HydrophobicContact CD1-CB 3.54Å; Y51-H80 AromaticContact CD1-CG 4Å; Y51-H80 HydrophobicContact CE1-CB 3.76Å; Y51-H80 AromaticContact CE1-CD2 3.54Å; Y51-H80 AromaticContact CE1-CG 3.69Å; Y51-H80 AromaticContact CE2-CD2 4Å; Y51-H80 HydrophobicContact CG-CB 4.16Å; Y51-H80 AromaticContact CZ-CD2 3.5Å; Y52-H80 PolarHBondContact N-O 2.98Å; Q78-H80 PolarHBondContact OE1-NE2 3.1Å; H80-L96 HydrophobicContact CB-CB 4.45Å; H80-L96 HydrophobicContact CB-CD1 4Å; H80-N100 VanDerWaalsContact CE1-CG 3.5Å; H80-N100 PolarHBondContact CE1-OD1 2.84Å; H80-N100 VanDerWaalsContact CE1-OD1 3.26Å
81V98.6Very high97.2Very high27 Ų2762.1 Ų62.116%0.16432%0.322CS..EExtended strand (participates in β ladder)trans-119.6119.8-175-170.50000111.6Y52 Y61 L79 F83Y52-V81 HydrophobicContact CD1-CG1 3.84Å; Y52-V81 CarbonylContact O-C 3.54Å; Y52-V81 WeakPolarHBondContact O-CA 3.19Å; Y61-V81 HydrophobicContact CE1-CG1 4.45Å; Y61-V81 HydrophobicContact CE1-CG2 4.49Å; Y61-V81 HydrophobicContact CE2-CG1 4.4Å; Y61-V81 HydrophobicContact CE2-CG2 4.38Å; Y61-V81 WeakPolarHBondContact OH-CG2 3.49Å; L79-V81 HydrophobicContact CD1-CG2 4Å; L79-V81 HydrophobicContact CD2-CG2 4.46Å; L79-V81 HydrophobicContact CG-CG2 3.88Å; V81-F83 HydrophobicContact CB-CE2 4Å; V81-F83 HydrophobicContact CB-CZ 3.86Å; V81-F83 HydrophobicContact CG1-CD1 4.15Å; V81-F83 HydrophobicContact CG1-CD2 4.42Å; V81-F83 HydrophobicContact CG1-CE1 3.48Å; V81-F83 VanDerWaalsContact CG1-CE1 3.48Å; V81-F83 HydrophobicContact CG1-CE2 3.77Å; V81-F83 HydrophobicContact CG1-CZ 3.27Å
82A98.6Very high97.2Very high1 Ų163.3 Ų63.31%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-95.8109.4177.500000110.5Y52 G53 C54 K91 Y92 V93 L96Y52-A82 PolarHBondContact O-N 2.67Å; G53-A82 CarbonylContact C-O 3.57Å; G53-A82 WeakPolarHBondContact CA-O 3.08Å; C54-A82 PolarHBondContact N-O 3.09Å; A82-K91 HydrophobicContact CB-CG 4.39Å; A82-Y92 VanDerWaalsContact CB-C 3.49Å; A82-V93 HydrophobicContact CB-CG1 4.49Å; A82-L96 HydrophobicContact CB-CD1 3.63Å; A82-L96 HydrophobicContact CB-CG 4.27Å
83F98.5Very high97.2Very high15 Ų1559.4 Ų59.47%0.06629%0.29CS..EExtended strand (participates in β ladder)trans-90.8102.1171.9-55.5-71.2000109.7C54 R57 Y61 V81 R85 E86 Q87C54-F83 VanDerWaalsContact SG-CD1 3.55Å; R57-F83 VanDerWaalsContact CA-CE1 3.49Å; R57-F83 HydrophobicContact CB-CD1 4.01Å; R57-F83 HydrophobicContact CB-CE1 3.57Å; R57-F83 HydrophobicContact CB-CZ 3.9Å; R57-F83 HydrophobicContact CG-CE1 4.14Å; R57-F83 HydrophobicContact CG-CZ 4.12Å; R57-F83 VanDerWaalsContact CZ-CZ 3.42Å; R57-F83 VanDerWaalsContact N-CD1 3.34Å; Y61-F83 AromaticContact CD1-CE1 3.95Å; Y61-F83 HydrophobicContact CD1-CE1 3.95Å; Y61-F83 HydrophobicContact CD1-CZ 4.09Å; Y61-F83 HydrophobicContact CE1-CE1 4.36Å; Y61-F83 HydrophobicContact CE1-CZ 4.08Å; Y61-F83 HydrophobicContact CG-CE1 4.4Å; V81-F83 HydrophobicContact CB-CE2 4Å; V81-F83 HydrophobicContact CB-CZ 3.86Å; V81-F83 HydrophobicContact CG1-CD1 4.15Å; V81-F83 HydrophobicContact CG1-CD2 4.42Å; V81-F83 HydrophobicContact CG1-CE1 3.48Å; V81-F83 VanDerWaalsContact CG1-CE1 3.48Å; V81-F83 HydrophobicContact CG1-CE2 3.77Å; V81-F83 HydrophobicContact CG1-CZ 3.27Å; F83-R85 PolarHBondContact O-N 3.48Å; F83-E86 HydrophobicContact CB-CB 3.99Å; F83-E86 HydrophobicContact CB-CG 3.71Å; F83-E86 WeakPolarHBondContact CD2-OE2 3.46Å; F83-E86 HydrophobicContact CG-CG 4.35Å; F83-E86 WeakPolarHBondContact CG-OE2 3.43Å; F83-Q87 PolarHBondContact O-NE2 3.08Å; F83-Q87 PolarHBondContact O-OE1 2.81Å
84S98Very high97.5Very high16 Ų1655 Ų5511%0.11227%0.266CS..THydrogen-bonded Turntrans-74.2-7.5-170.461.60000114.9C54 R55 K90 K91C54-S84 PolarHBondContact O-N 3.32Å; C54-S84 PolarHBondContact O-OG 3.19Å; R55-S84 WeakPolarHBondContact CA-OG 3.24Å; R55-S84 PolarHBondContact O-N 3.16Å; S84-K90 WeakPolarHBondContact O-CD 3.35Å; S84-K90 PolarHBondContact O-NZ 2.92Å; S84-K91 VanDerWaalsContact CA-O 3.32Å; S84-K91 WeakPolarHBondContact CA-O 3.44Å; S84-K91 WeakPolarHBondContact CB-O 3.35Å
85R97.6Very high97.7Very high100 Ų10056.8 Ų56.838%0.37727%0.265SS..THydrogen-bonded Turntrans-13618.2-175.1-48.3-168.9-177.8-175.5-4.1114.4R55 R56 F83R55-R85 HydrophobicContact CB-CG 4.02Å; R55-R85 HydrophobicContact CG-CG 4.35Å; R55-R85 WeakPolarHBondContact O-CA 3.29Å; R55-R85 WeakPolarHBondContact O-CB 3.13Å; R55-R85 PolarHBondContact O-N 2.87Å; R56-R85 HydrophobicContact CG-CB 4.07Å; R56-R85 PolarHBondContact NE-O 3.32Å; R56-R85 PolarHBondContact NH2-O 3.22Å; F83-R85 PolarHBondContact O-N 3.48Å
86E97.2Very high97.9Very high89 Ų8956.8 Ų56.842%0.41627%0.265SS..SBendtrans-91.7-12.3174.8-74.9-173.2178.800113.8R56 R57 F83R56-E86 HydrophobicContact CB-CG 4.25Å; R56-E86 HydrophobicContact CG-CG 4.15Å; R57-E86 WeakPolarHBondContact CB-OE1 3.26Å; R57-E86 PolarHBondContact N-OE1 3.15Å; F83-E86 HydrophobicContact CB-CB 3.99Å; F83-E86 HydrophobicContact CB-CG 3.71Å; F83-E86 WeakPolarHBondContact CD2-OE2 3.46Å; F83-E86 HydrophobicContact CG-CG 4.35Å; F83-E86 WeakPolarHBondContact CG-OE2 3.43Å
87Q96Very high97.9Very high83 Ų8356.8 Ų56.839%0.38827%0.265SS..SBendtrans-137.2166.6176.265.3-67.4-44.900110.2F83 Q89F83-Q87 PolarHBondContact O-NE2 3.08Å; F83-Q87 PolarHBondContact O-OE1 2.81Å; Q87-Q89 VanDerWaalsContact C-N 3.34Å; Q87-Q89 VanDerWaalsContact CG-O 3.28Å; Q87-Q89 WeakPolarHBondContact CG-O 3.49Å; Q87-Q89 PolarHBondContact NE2-O 2.97Å; Q87-Q89 PolarHBondContact O-N 2.79Å
88E95.9Very high97.9Very high180 Ų18056.3 Ų56.384%0.84126%0.259SS*.SBendtrans-58-46-177.6-173.6-179.6-178.100111.7
89Q96.6Very high97.9Very high139 Ų13959.2 Ų59.265%0.6527%0.273SS*.SBendtrans-84140.7178.7-61-57.7-33.700112.1Q87 K91Q87-Q89 VanDerWaalsContact C-N 3.34Å; Q87-Q89 VanDerWaalsContact CG-O 3.28Å; Q87-Q89 WeakPolarHBondContact CG-O 3.49Å; Q87-Q89 PolarHBondContact NE2-O 2.97Å; Q87-Q89 PolarHBondContact O-N 2.79Å; Q89-K91 PolarHBondContact O-N 2.8Å
90K97.1Very high97.9Very high96 Ų9659.8 Ų59.842%0.41728%0.276SS..  trans-67.6126.6177.8-64.3-56-172.9-162.10110.9S84 Y92 H95S84-K90 WeakPolarHBondContact O-CD 3.35Å; S84-K90 PolarHBondContact O-NZ 2.92Å; K90-Y92 HydrophobicContact CB-CD2 4.49Å; K90-Y92 HydrophobicContact CB-CE1 4.23Å; K90-Y92 HydrophobicContact CB-CE2 3.83Å; K90-Y92 HydrophobicContact CG-CE2 4.49Å; K90-H95 PolarHBondContact O-CE1 3.19Å; K90-H95 VanDerWaalsContact O-CE1 3.23Å; K90-H95 PolarHBondContact O-ND1 2.83Å
91K98Very high97.9Very high61 Ų6161.3 Ų61.327%0.26528%0.282SS..  trans-109121.5170.6-166160.9-172.4167.80109.8A82 S84 Q89 E99A82-K91 HydrophobicContact CB-CG 4.39Å; S84-K91 VanDerWaalsContact CA-O 3.32Å; S84-K91 WeakPolarHBondContact CA-O 3.44Å; S84-K91 WeakPolarHBondContact CB-O 3.35Å; Q89-K91 PolarHBondContact O-N 2.8Å; K91-E99 WeakPolarHBondContact CE-OE1 3.4Å; K91-E99 VanDerWaalsContact NZ-CD 3.28Å; K91-E99 IonicContact NZ-OE1 2.93Å; K91-E99 PolarHBondContact NZ-OE1 2.86Å; K91-E99 IonicContact NZ-OE2 2.59Å; K91-E99 PolarHBondContact NZ-OE2 3.46Å
92Y98.4Very high97.8Very high98 Ų9866.9 Ų66.938%0.38430%0.304SS..  trans-122.8170-179.8-59.4-47.2000111.3A82 K90 Q94 H95 L96A82-Y92 VanDerWaalsContact CB-C 3.49Å; K90-Y92 HydrophobicContact CB-CD2 4.49Å; K90-Y92 HydrophobicContact CB-CE1 4.23Å; K90-Y92 HydrophobicContact CB-CE2 3.83Å; K90-Y92 HydrophobicContact CG-CE2 4.49Å; Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.37Å; Y92-H95 AromaticContact CD2-CE1 3.98Å; Y92-H95 PolarHBondContact N-ND1 3.21Å; Y92-H95 WeakPolarHBondContact O-CB 3.49Å; Y92-H95 PolarHBondContact O-N 2.92Å; Y92-H95 VanDerWaalsContact O-N 3.08Å; Y92-L96 PolarHBondContact O-N 2.89Å
93V98.5Very high97.8Very high2 Ų268.5 Ų68.51%0.01232%0.315CS..Hα-helixtrans-60.3-35.7-176.7-68.60000112.6I2 P4 Y52 A82 H95 L96 M97 M123 V127I2-V93 HydrophobicContact CG2-CB 4.01Å; I2-V93 HydrophobicContact CG2-CG2 3.7Å; P4-V93 HydrophobicContact CB-CG1 4.07Å; P4-V93 HydrophobicContact CG-CG1 4.3Å; P4-V93 HydrophobicContact CG-CG2 4.2Å; Y52-V93 WeakPolarHBondContact O-CG1 3.49Å; A82-V93 HydrophobicContact CB-CG1 4.49Å; V93-H95 VanDerWaalsContact C-N 3.32Å; V93-H95 PolarHBondContact O-N 2.96Å; V93-L96 WeakPolarHBondContact O-CB 3.48Å; V93-L96 PolarHBondContact O-N 2.94Å; V93-M97 WeakPolarHBondContact O-CG 3.46Å; V93-M97 PolarHBondContact O-N 3.01Å; V93-M123 HydrophobicContact CG2-CG 4.5Å; V93-V127 HydrophobicContact CG2-CG2 3.96Å
94Q98.5Very high97.7Very high16 Ų1668.4 Ų68.48%0.07532%0.315CS..Hα-helixtrans-66.7-31.3176.365.5-87.530.700113.2Y92 M97 L98 D126 T130Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.37Å; Q94-M97 WeakPolarHBondContact O-CB 3.45Å; Q94-M97 PolarHBondContact O-N 2.85Å; Q94-L98 WeakPolarHBondContact O-CG 3.37Å; Q94-L98 PolarHBondContact O-N 3.21Å; Q94-D126 HydrophobicContact CG-CB 4.31Å; Q94-D126 PolarHBondContact NE2-OD2 3.01Å; Q94-T130 HydrophobicContact CB-CG2 4.07Å; Q94-T130 WeakPolarHBondContact CB-OG1 3.47Å
95H98.5Very high97.7Very high70 Ų7068.4 Ų68.432%0.32431%0.312SS..Hα-helixtrans-65.8-42.7173.1-56.4160.2000110.3K90 Y92 V93 M97 L98 E99K90-H95 PolarHBondContact O-CE1 3.19Å; K90-H95 VanDerWaalsContact O-CE1 3.23Å; K90-H95 PolarHBondContact O-ND1 2.83Å; Y92-H95 AromaticContact CD2-CE1 3.98Å; Y92-H95 PolarHBondContact N-ND1 3.21Å; Y92-H95 WeakPolarHBondContact O-CB 3.49Å; Y92-H95 PolarHBondContact O-N 2.92Å; Y92-H95 VanDerWaalsContact O-N 3.08Å; V93-H95 VanDerWaalsContact C-N 3.32Å; V93-H95 PolarHBondContact O-N 2.96Å; H95-M97 VanDerWaalsContact C-N 3.32Å; H95-M97 PolarHBondContact O-N 2.94Å; H95-L98 PolarHBondContact O-N 2.74Å; H95-E99 WeakPolarHBondContact O-CG 3.33Å; H95-E99 PolarHBondContact O-N 3.11Å
96L98.6Very high97.7Very high11 Ų1167.2 Ų67.26%0.05831%0.314CS..Hα-helixtrans-63.9-36.4174.2-69.1178.2000112.5Y51 H80 A82 Y92 V93 E99 N100Y51-L96 HydrophobicContact CD1-CB 3.8Å; Y51-L96 HydrophobicContact CE1-CB 3.97Å; H80-L96 HydrophobicContact CB-CB 4.45Å; H80-L96 HydrophobicContact CB-CD1 4Å; A82-L96 HydrophobicContact CB-CD1 3.63Å; A82-L96 HydrophobicContact CB-CG 4.27Å; Y92-L96 PolarHBondContact O-N 2.89Å; V93-L96 WeakPolarHBondContact O-CB 3.48Å; V93-L96 PolarHBondContact O-N 2.94Å; L96-E99 WeakPolarHBondContact CD2-OE2 3.44Å; L96-E99 PolarHBondContact O-N 2.81Å; L96-N100 WeakPolarHBondContact O-CB 3.41Å; L96-N100 PolarHBondContact O-N 3.31Å; L96-N100 VanDerWaalsContact O-N 3.08Å; L96-N100 PolarHBondContact O-ND2 3.2Å
97M98.6Very high97.7Very high1 Ų164.5 Ų64.51%0.00530%0.302CS..Hα-helixtrans-61.2-45174.3-69.4168.659.300111.2I2 Y51 V93 Q94 H95 N100 K101 F104 V127 T130 L131 I134I2-M97 HydrophobicContact CG1-SD 4.08Å; I2-M97 HydrophobicContact CG2-SD 4.39Å; Y51-M97 HydrophobicContact CD1-CG 3.94Å; Y51-M97 HydrophobicContact CD2-CG 4.48Å; Y51-M97 HydrophobicContact CE1-CB 4.49Å; Y51-M97 HydrophobicContact CE1-CG 3.98Å; Y51-M97 HydrophobicContact CG-CG 4.21Å; V93-M97 WeakPolarHBondContact O-CG 3.46Å; V93-M97 PolarHBondContact O-N 3.01Å; Q94-M97 WeakPolarHBondContact O-CB 3.45Å; Q94-M97 PolarHBondContact O-N 2.85Å; H95-M97 VanDerWaalsContact C-N 3.32Å; H95-M97 PolarHBondContact O-N 2.94Å; M97-N100 CarbonylContact O-C 3.32Å; M97-N100 VanDerWaalsContact O-C 3.32Å; M97-N100 PolarHBondContact O-N 3.14Å; M97-K101 WeakPolarHBondContact O-CA 3.37Å; M97-K101 PolarHBondContact O-N 3.27Å; M97-F104 HydrophobicContact CE-CE2 3.84Å; M97-F104 HydrophobicContact CE-CZ 3.94Å; M97-F104 HydrophobicContact CG-CD2 4.3Å; M97-F104 HydrophobicContact CG-CE2 4.07Å; M97-V127 HydrophobicContact CE-CG1 4.11Å; M97-V127 HydrophobicContact SD-CG1 4.01Å; M97-V127 HydrophobicContact SD-CG2 4.31Å; M97-T130 HydrophobicContact CB-CG2 4Å; M97-T130 HydrophobicContact CE-CG2 4.12Å; M97-L131 HydrophobicContact CE-CB 4.46Å; M97-I134 HydrophobicContact CB-CD1 3.92Å; M97-I134 HydrophobicContact CE-CD1 4.43Å
98L98.2Very high97.7Very high62 Ų6260.6 Ų60.633%0.32528%0.284SS..Hα-helixtrans-64.9-45.3176.6-69.8172.8000112.4Q94 H95 N100 K101 T130 I134Q94-L98 WeakPolarHBondContact O-CG 3.37Å; Q94-L98 PolarHBondContact O-N 3.21Å; H95-L98 PolarHBondContact O-N 2.74Å; L98-N100 PolarHBondContact O-N 2.96Å; L98-N100 VanDerWaalsContact O-N 3.15Å; L98-K101 WeakPolarHBondContact O-CB 3.45Å; L98-K101 WeakPolarHBondContact O-CG 3.35Å; L98-K101 PolarHBondContact O-N 2.75Å; L98-K101 VanDerWaalsContact O-N 3.11Å; L98-T130 HydrophobicContact CD1-CG2 4.33Å; L98-T130 HydrophobicContact CD2-CG2 3.77Å; L98-T130 HydrophobicContact CG-CG2 3.65Å; L98-I134 HydrophobicContact CD2-CD1 4.43Å; L98-I134 HydrophobicContact CD2-CG1 3.95Å
99E98.2Very high97.7Very high116 Ų11658 Ų5854%0.54227%0.271SS..Hα-helixtrans-55.4-31.8174.7-73.8170.8-15400111.7K91 H95 L96K91-E99 WeakPolarHBondContact CE-OE1 3.4Å; K91-E99 VanDerWaalsContact NZ-CD 3.28Å; K91-E99 IonicContact NZ-OE1 2.93Å; K91-E99 PolarHBondContact NZ-OE1 2.86Å; K91-E99 IonicContact NZ-OE2 2.59Å; K91-E99 PolarHBondContact NZ-OE2 3.46Å; H95-E99 WeakPolarHBondContact O-CG 3.33Å; H95-E99 PolarHBondContact O-N 3.11Å; L96-E99 WeakPolarHBondContact CD2-OE2 3.44Å; L96-E99 PolarHBondContact O-N 2.81Å
100N98.2Very high97.6Very high42 Ų4260.8 Ų60.823%0.22528%0.276CS..THydrogen-bonded Turntrans-106.619.4-178.7-67.9-84.5000113.8Y51 H80 L96 M97 L98 K102 S103 F104Y51-N100 WeakPolarHBondContact OH-CB 3.42Å; H80-N100 VanDerWaalsContact CE1-CG 3.5Å; H80-N100 PolarHBondContact CE1-OD1 2.84Å; H80-N100 VanDerWaalsContact CE1-OD1 3.26Å; L96-N100 WeakPolarHBondContact O-CB 3.41Å; L96-N100 PolarHBondContact O-N 3.31Å; L96-N100 VanDerWaalsContact O-N 3.08Å; L96-N100 PolarHBondContact O-ND2 3.2Å; M97-N100 CarbonylContact O-C 3.32Å; M97-N100 VanDerWaalsContact O-C 3.32Å; M97-N100 PolarHBondContact O-N 3.14Å; L98-N100 PolarHBondContact O-N 2.96Å; L98-N100 VanDerWaalsContact O-N 3.15Å; N100-K102 VanDerWaalsContact C-N 3.31Å; N100-K102 PolarHBondContact O-N 2.99Å; N100-K102 VanDerWaalsContact O-N 3.12Å; N100-S103 PolarHBondContact O-N 3.47Å; N100-F104 PolarHBondContact O-N 3.39Å
101K97.9Very high97.5Very high63 Ų6357.7 Ų57.727%0.27427%0.272SS..Hα-helixtrans-51.7-41.8-169.262.4174.5-179.6171.50114.9M97 L98 F104 W105 I134 E137 E138M97-K101 WeakPolarHBondContact O-CA 3.37Å; M97-K101 PolarHBondContact O-N 3.27Å; L98-K101 WeakPolarHBondContact O-CB 3.45Å; L98-K101 WeakPolarHBondContact O-CG 3.35Å; L98-K101 PolarHBondContact O-N 2.75Å; L98-K101 VanDerWaalsContact O-N 3.11Å; K101-F104 WeakPolarHBondContact O-CB 3.43Å; K101-F104 PolarHBondContact O-N 3.25Å; K101-W105 WeakPolarHBondContact O-CB 3.44Å; K101-W105 PolarHBondContact O-N 3.37Å; K101-I134 HydrophobicContact CB-CD1 4.33Å; K101-I134 HydrophobicContact CB-CG1 3.88Å; K101-I134 HydrophobicContact CB-CG2 4.07Å; K101-E137 WeakPolarHBondContact CD-OE2 3.45Å; K101-E137 IonicContact NZ-OE2 3.92Å; K101-E137 PolarHBondContact NZ-OE2 3.02Å; K101-E138 HydrophobicContact CB-CG 4.48Å; K101-E138 VanDerWaalsContact CD-OE1 3.31Å; K101-E138 WeakPolarHBondContact CD-OE1 3.19Å; K101-E138 WeakPolarHBondContact CE-OE1 3.48Å; K101-E138 WeakPolarHBondContact CG-OE1 3.28Å; K101-E138 IonicContact NZ-OE1 3.46Å
102K97.8Very high97.4Very high143 Ų14356.5 Ų56.562%0.62227%0.271SS*.Hα-helixtrans-61.9-46.7176.9-67.5-175.4176.2-1780112.1N100 F104 W105 N106 E138N100-K102 VanDerWaalsContact C-N 3.31Å; N100-K102 PolarHBondContact O-N 2.99Å; N100-K102 VanDerWaalsContact O-N 3.12Å; K102-F104 VanDerWaalsContact C-N 3.32Å; K102-W105 PolarHBondContact O-N 3.06Å; K102-N106 WeakPolarHBondContact O-CB 3.33Å; K102-N106 PolarHBondContact O-N 3.07Å; K102-N106 PolarHBondContact O-ND2 3.01Å; K102-E138 WeakPolarHBondContact CG-OE2 3.47Å
103S97.4Very high97.4Very high35 Ų3558 Ų5825%0.24528%0.277CS..Hα-helixtrans-66.9-37.5177.6-173.60000111Q78 N100 L107Q78-S103 PolarHBondContact NE2-OG 3.09Å; N100-S103 PolarHBondContact O-N 3.47Å; S103-L107 WeakPolarHBondContact O-CG 3.09Å; S103-L107 PolarHBondContact O-N 3.32Å
104F97.7Very high97.4Very high13 Ų1358.2 Ų58.26%0.05728%0.278CS..Hα-helixtrans-63.2-49.3175.7-161.1-71.4000111Y51 M97 N100 K101 K102 L107 L108 V114 L131 I134Y51-F104 AromaticContact CE2-CD2 3.84Å; Y51-F104 HydrophobicContact CE2-CD2 3.84Å; Y51-F104 AromaticContact CE2-CE2 3.93Å; Y51-F104 HydrophobicContact CE2-CE2 3.93Å; Y51-F104 AromaticContact CZ-CD2 3.97Å; M97-F104 HydrophobicContact CE-CE2 3.84Å; M97-F104 HydrophobicContact CE-CZ 3.94Å; M97-F104 HydrophobicContact CG-CD2 4.3Å; M97-F104 HydrophobicContact CG-CE2 4.07Å; N100-F104 PolarHBondContact O-N 3.39Å; K101-F104 WeakPolarHBondContact O-CB 3.43Å; K101-F104 PolarHBondContact O-N 3.25Å; K102-F104 VanDerWaalsContact C-N 3.32Å; F104-L107 WeakPolarHBondContact O-CB 3.28Å; F104-L107 PolarHBondContact O-N 2.78Å; F104-L108 HydrophobicContact CD1-CD1 3.75Å; F104-L108 HydrophobicContact CD1-CG 3.89Å; F104-L108 HydrophobicContact CE1-CD1 3.73Å; F104-L108 HydrophobicContact CE1-CD2 4.01Å; F104-L108 HydrophobicContact CE1-CG 3.84Å; F104-L108 PolarHBondContact O-N 2.96Å; F104-L108 VanDerWaalsContact O-N 3.1Å; F104-V114 HydrophobicContact CE1-CG2 4.41Å; F104-V114 HydrophobicContact CZ-CG2 4.33Å; F104-L131 HydrophobicContact CD1-CD1 4.34Å; F104-L131 HydrophobicContact CE1-CD1 3.49Å; F104-L131 VanDerWaalsContact CE1-CD1 3.49Å; F104-L131 HydrophobicContact CZ-CD1 4.1Å; F104-I134 HydrophobicContact CD1-CG2 4.45Å; F104-I134 HydrophobicContact CG-CD1 4.45Å
105W97.8Very high97.4Very high16 Ų1660.1 Ų60.16%0.06129%0.285CS..Hα-helixtrans-61.3-45.3178.1175.4-107.7000112.3K101 K102 L107 L108 E109 I134 I135 E138 H139K101-W105 WeakPolarHBondContact O-CB 3.44Å; K101-W105 PolarHBondContact O-N 3.37Å; K102-W105 PolarHBondContact O-N 3.06Å; W105-L107 PolarHBondContact O-N 3.18Å; W105-L107 VanDerWaalsContact O-N 3.16Å; W105-L108 HydrophobicContact CE3-CB 4.28Å; W105-L108 HydrophobicContact CE3-CD1 4.09Å; W105-L108 HydrophobicContact CZ3-CD1 4.46Å; W105-L108 WeakPolarHBondContact O-CA 3.22Å; W105-L108 WeakPolarHBondContact O-CB 3.43Å; W105-L108 PolarHBondContact O-N 3.38Å; W105-E109 HydrophobicContact CZ2-CB 4.42Å; W105-E109 PolarHBondContact O-N 2.93Å; W105-I134 HydrophobicContact CB-CG2 4.49Å; W105-I135 HydrophobicContact CE3-CG1 4.25Å; W105-I135 HydrophobicContact CZ3-CB 4.31Å; W105-I135 HydrophobicContact CZ3-CG1 3.99Å; W105-I135 HydrophobicContact CZ3-CG2 4.03Å; W105-E138 HydrophobicContact CB-CB 3.67Å; W105-E138 HydrophobicContact CB-CG 3.8Å; W105-E138 HydrophobicContact CD2-CB 3.85Å; W105-E138 HydrophobicContact CE3-CB 4.47Å; W105-E138 HydrophobicContact CG-CB 3.41Å; W105-E138 VanDerWaalsContact CG-CB 3.41Å; W105-E138 HydrophobicContact CG-CG 4.13Å; W105-H139 HydrophobicContact CH2-CB 3.54Å; W105-H139 AromaticContact CH2-CG 3.55Å; W105-H139 AromaticContact CH2-ND1 3.61Å; W105-H139 HydrophobicContact CZ2-CB 3.68Å; W105-H139 AromaticContact CZ2-CG 3.66Å; W105-H139 AromaticContact CZ2-ND1 3.3Å; W105-H139 VanDerWaalsContact CZ2-ND1 3.3Å; W105-H139 WeakPolarHBondContact CZ2-ND1 3.42Å; W105-H139 HydrophobicContact CZ3-CB 4.09Å
106N97.4Very high97.4Very high76 Ų7656.9 Ų56.941%0.40627%0.27SS..Hα-helixtrans-56.4-33.7176-72.7-18.9000112.9K102 R110K102-N106 WeakPolarHBondContact O-CB 3.33Å; K102-N106 PolarHBondContact O-N 3.07Å; K102-N106 PolarHBondContact O-ND2 3.01Å; N106-R110 WeakPolarHBondContact O-CD 3.42Å; N106-R110 VanDerWaalsContact O-CG 3.24Å; N106-R110 WeakPolarHBondContact O-CG 3.35Å; N106-R110 PolarHBondContact O-N 2.69Å
107L96.7Very high97.4Very high31 Ų3156.4 Ų56.416%0.16227%0.268CS..Hα-helixtrans-71.7-44.4173.9-70.6168.3000111.3V49 S103 F104 W105 R110 S112V49-L107 HydrophobicContact CB-CD1 4.37Å; V49-L107 HydrophobicContact CG2-CD1 3.73Å; S103-L107 WeakPolarHBondContact O-CG 3.09Å; S103-L107 PolarHBondContact O-N 3.32Å; F104-L107 WeakPolarHBondContact O-CB 3.28Å; F104-L107 PolarHBondContact O-N 2.78Å; W105-L107 PolarHBondContact O-N 3.18Å; W105-L107 VanDerWaalsContact O-N 3.16Å; L107-R110 PolarHBondContact O-N 3.49Å; L107-S112 VanDerWaalsContact C-OG 3.3Å; L107-S112 WeakPolarHBondContact O-CB 3.33Å; L107-S112 PolarHBondContact O-N 3.39Å; L107-S112 VanDerWaalsContact O-N 3.09Å; L107-S112 PolarHBondContact O-OG 3.17Å
108L96.3Very high97.4Very high2 Ų256.5 Ų56.51%0.0127%0.269CS..Hα-helixtrans-60.4-45.5178.1-70.1-180000112.5F104 W105 R110 G111 V114 L131 I135 M153F104-L108 HydrophobicContact CD1-CD1 3.75Å; F104-L108 HydrophobicContact CD1-CG 3.89Å; F104-L108 HydrophobicContact CE1-CD1 3.73Å; F104-L108 HydrophobicContact CE1-CD2 4.01Å; F104-L108 HydrophobicContact CE1-CG 3.84Å; F104-L108 PolarHBondContact O-N 2.96Å; F104-L108 VanDerWaalsContact O-N 3.1Å; W105-L108 HydrophobicContact CE3-CB 4.28Å; W105-L108 HydrophobicContact CE3-CD1 4.09Å; W105-L108 HydrophobicContact CZ3-CD1 4.46Å; W105-L108 WeakPolarHBondContact O-CA 3.22Å; W105-L108 WeakPolarHBondContact O-CB 3.43Å; W105-L108 PolarHBondContact O-N 3.38Å; L108-R110 PolarHBondContact O-N 3.44Å; L108-G111 WeakPolarHBondContact O-CA 3.47Å; L108-G111 PolarHBondContact O-N 3.44Å; L108-V114 HydrophobicContact CD2-CG2 3.52Å; L108-L131 HydrophobicContact CD1-CD1 3.79Å; L108-I135 HydrophobicContact CD1-CD1 4.35Å; L108-I135 HydrophobicContact CD1-CG1 4Å; L108-M153 HydrophobicContact CD2-CE 3.71Å; L108-M153 HydrophobicContact CD2-SD 4.37Å
109E95.1Very high97.3Very high124 Ų12456.3 Ų56.358%0.57927%0.268SS*.Hα-helixtrans-61-34-180-170.8179.7-117.900111.6W105 G111W105-E109 HydrophobicContact CZ2-CB 4.42Å; W105-E109 PolarHBondContact O-N 2.93Å; E109-G111 PolarHBondContact O-N 3.49Å
110R94.5Very high97.1Very high198 Ų19852.2 Ų52.275%0.74725%0.254SS*.THydrogen-bonded Turntrans-776.5173.8-66.5172.5-173.8-171.40.9114.2N106 L107 L108N106-R110 WeakPolarHBondContact O-CD 3.42Å; N106-R110 VanDerWaalsContact O-CG 3.24Å; N106-R110 WeakPolarHBondContact O-CG 3.35Å; N106-R110 PolarHBondContact O-N 2.69Å; L107-R110 PolarHBondContact O-N 3.49Å; L108-R110 PolarHBondContact O-N 3.44Å
111G94.8Very high96.9Very high32 Ų3256.8 Ų56.833%0.3327%0.268SS..THydrogen-bonded Turntrans85.320.1177.100000114.8L108 E109L108-G111 WeakPolarHBondContact O-CA 3.47Å; L108-G111 PolarHBondContact O-N 3.44Å; E109-G111 PolarHBondContact O-N 3.49Å
112S96.4Very high96.7Very high35 Ų3558.7 Ų58.725%0.24528%0.282CS..  trans-61153.9-179.7-64.10000113.2L107L107-S112 VanDerWaalsContact C-OG 3.3Å; L107-S112 WeakPolarHBondContact O-CB 3.33Å; L107-S112 PolarHBondContact O-N 3.39Å; L107-S112 VanDerWaalsContact O-N 3.09Å; L107-S112 PolarHBondContact O-OG 3.17Å
113Y98Very high96.7Very high129 Ų12952.7 Ų52.751%0.50626%0.256SS..  trans-91.4140.6172.2-67.9-110000110.3Y115 K157 R158Y113-Y115 VanDerWaalsContact CB-CE2 3.45Å; Y113-Y115 WeakPolarHBondContact CD1-OH 3.45Å; Y113-Y115 HydrophobicContact CG-CE2 4.42Å; Y113-K157 WeakPolarHBondContact CD1-O 3.24Å; Y113-R158 CarbonylContact C-O 3.57Å; Y113-R158 WeakPolarHBondContact CA-O 3.3Å; Y113-R158 HydrophobicContact CD1-CB 4.4Å; Y113-R158 HydrophobicContact CD1-CG 4.26Å; Y113-R158 HydrophobicContact CE1-CG 4.08Å
114V98.5Very high96.6Very high7 Ų751.6 Ų51.64%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-114.5128.7176-179.80000108.5I2 F104 L108 V116 M153 R158 Y159 Q160I2-V114 HydrophobicContact CD1-CG1 3.74Å; F104-V114 HydrophobicContact CE1-CG2 4.41Å; F104-V114 HydrophobicContact CZ-CG2 4.33Å; L108-V114 HydrophobicContact CD2-CG2 3.52Å; V114-V116 HydrophobicContact CG1-CG2 4.38Å; V114-M153 HydrophobicContact CB-CE 4.37Å; V114-M153 HydrophobicContact CG2-CE 3.85Å; V114-R158 PolarHBondContact N-O 3.41Å; V114-Y159 HydrophobicContact CB-CD2 3.86Å; V114-Y159 HydrophobicContact CG1-CD2 3.67Å; V114-Y159 HydrophobicContact CG1-CE2 3.85Å; V114-Y159 WeakPolarHBondContact O-CA 3.34Å; V114-Q160 PolarHBondContact O-N 3.39Å
115Y98.7Very high96.6Very high56 Ų5659.5 Ų59.522%0.2228%0.279CS..EExtended strand (participates in β ladder)trans-126.4130.1177.9-56.8-87.1000108.8M1 I2 F11 F14 Y113 Q160M1-Y115 CarbonylContact C-O 3.58Å; M1-Y115 WeakPolarHBondContact CA-O 3.34Å; M1-Y115 HydrophobicContact CG-CD2 4.32Å; I2-Y115 PolarHBondContact N-O 2.82Å; F11-Y115 VanDerWaalsContact CE1-CB 3.48Å; F11-Y115 HydrophobicContact CE1-CG 4.39Å; F14-Y115 AromaticContact CE2-CD1 3.91Å; F14-Y115 HydrophobicContact CE2-CD1 3.91Å; F14-Y115 HydrophobicContact CE2-CD2 4.11Å; F14-Y115 AromaticContact CE2-CE1 3.94Å; F14-Y115 HydrophobicContact CE2-CE1 3.94Å; F14-Y115 HydrophobicContact CE2-CE2 4.13Å; F14-Y115 HydrophobicContact CE2-CG 4.01Å; F14-Y115 HydrophobicContact CZ-CD1 4.48Å; F14-Y115 HydrophobicContact CZ-CE1 4.4Å; Y113-Y115 VanDerWaalsContact CB-CE2 3.45Å; Y113-Y115 WeakPolarHBondContact CD1-OH 3.45Å; Y113-Y115 HydrophobicContact CG-CE2 4.42Å; Y115-Q160 WeakPolarHBondContact CA-O 3.47Å; Y115-Q160 HydrophobicContact CD1-CB 3.84Å; Y115-Q160 HydrophobicContact CE1-CB 4.14Å; Y115-Q160 HydrophobicContact CE1-CG 4.31Å
116V98.7Very high96.6Very high2 Ų262.1 Ų62.11%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-120.7130178.1-174.10000109.1I2 V114 M123 V127 Y159 Q160 T161 D162I2-V116 HydrophobicContact CD1-CG2 4.34Å; I2-V116 CarbonylContact O-C 3.59Å; I2-V116 WeakPolarHBondContact O-CA 3.48Å; V114-V116 HydrophobicContact CG1-CG2 4.38Å; V116-M123 HydrophobicContact CG1-CE 4.01Å; V116-M123 HydrophobicContact CG1-SD 3.95Å; V116-V127 HydrophobicContact CG1-CB 4.44Å; V116-V127 HydrophobicContact CG1-CG1 4.11Å; V116-V127 HydrophobicContact CG2-CG1 3.72Å; V116-Y159 HydrophobicContact CG2-CE2 3.89Å; V116-Q160 PolarHBondContact N-O 2.87Å; V116-T161 HydrophobicContact CB-CG2 4.2Å; V116-T161 CarbonylContact O-C 3.59Å; V116-T161 VanDerWaalsContact O-CA 3.29Å; V116-T161 WeakPolarHBondContact O-CA 3.48Å; V116-D162 PolarHBondContact O-N 3Å
117C98.6Very high96.7Very high1 Ų158.5 Ų58.51%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-140.2140.4-179-178.60000112I2 G3 G7 P10 F11 M123 D162 W164I2-C117 PolarHBondContact O-N 3.46Å; G3-C117 WeakPolarHBondContact CA-O 3.27Å; G7-C117 WeakPolarHBondContact CA-O 3.45Å; G7-C117 VanDerWaalsContact O-CB 3.27Å; G7-C117 WeakPolarHBondContact O-CB 3.46Å; G7-C117 PolarHBondContact O-SG 3.28Å; P10-C117 VanDerWaalsContact CD-SG 3.58Å; P10-C117 HydrophobicContact CG-CB 3.97Å; P10-C117 WeakPolarHBondContact CG-SG 3.41Å; F11-C117 HydrophobicContact CE1-CB 4.47Å; F11-C117 HydrophobicContact CE2-CB 3.66Å; F11-C117 HydrophobicContact CZ-CB 3.57Å; C117-M123 WeakPolarHBondContact O-CE 3.47Å; C117-D162 WeakPolarHBondContact CA-O 3.5Å; C117-D162 HydrophobicContact CB-CB 4.39Å; C117-D162 PolarHBondContact SG-O 2.99Å; C117-W164 WeakPolarHBondContact SG-CZ3 3.34Å
118G97.7Very high96.8Very high3 Ų360.2 Ų60.23%0.03128%0.282CS..EExtended strand (participates in β ladder)trans126.8-139.2179.400000114.1A120 D162 V163 W164G118-A120 PolarHBondContact O-N 3.05Å; G118-D162 PolarHBondContact N-O 3.26Å; G118-V163 VanDerWaalsContact O-CA 3.26Å; G118-V163 WeakPolarHBondContact O-CA 3.45Å; G118-W164 PolarHBondContact O-N 3.45Å
119D96.9Very high96.9Very high58 Ų5862.8 Ų62.831%0.3130%0.303SS..EExtended strand (participates in β ladder)trans-62116.9-175.1169.858.5000112.9R121 N122 M123 A124D119-R121 PolarHBondContact OD1-N 2.9Å; D119-N122 WeakPolarHBondContact OD2-CA 3.34Å; D119-N122 WeakPolarHBondContact OD2-CB 3.37Å; D119-N122 PolarHBondContact OD2-N 3.2Å; D119-M123 HydrophobicContact CB-CB 3.92Å; D119-M123 PolarHBondContact OD2-N 3.5Å; D119-A124 WeakPolarHBondContact O-CB 3.31Å; D119-A124 PolarHBondContact O-N 3.36Å
120A94.9Very high97Very high30 Ų3057.6 Ų57.625%0.24828%0.28CS..THydrogen-bonded Turntrans-75.3-26.2177.300000113.3G118 V163 W164G118-A120 PolarHBondContact O-N 3.05Å; A120-V163 HydrophobicContact CB-CB 3.81Å; A120-V163 HydrophobicContact CB-CG2 3.81Å; A120-W164 WeakPolarHBondContact CB-O 3.4Å; A120-W164 PolarHBondContact N-O 2.93Å
121R92.3Very high97.2Very high138 Ų13848.2 Ų48.252%0.52124%0.244SC..THydrogen-bonded Turntrans-74.8-45.1-169-69.6-179.5173.8-165-5112.1D119 R125 T166D119-R121 PolarHBondContact OD1-N 2.9Å; R121-R125 WeakPolarHBondContact O-CD 3.48Å; R121-T166 PolarHBondContact NE-O 3.45Å; R121-T166 VanDerWaalsContact NE-O 3.1Å; R121-T166 PolarHBondContact NH2-O 3.17Å; R121-T166 PolarHBondContact NH2-OXT 3.46Å
122N95.1Very high97.4Very high103 Ų10348 Ų4855%0.55124%0.235SC*.THydrogen-bonded Turntrans-123-54.2-175-49-76.3000111.2D119 A124 R125 D126D119-N122 WeakPolarHBondContact OD2-CA 3.34Å; D119-N122 WeakPolarHBondContact OD2-CB 3.37Å; D119-N122 PolarHBondContact OD2-N 3.2Å; N122-A124 PolarHBondContact O-N 3.49Å; N122-R125 PolarHBondContact O-N 2.9Å; N122-R125 VanDerWaalsContact O-N 3.16Å; N122-D126 PolarHBondContact O-N 2.89Å
123M96.5Very high97.5Very high18 Ų1849.7 Ų49.79%0.08924%0.239CC..Hα-helixtrans-59.9-48.5-170.8-177.3-78.9-61.900112.5P4 V93 V116 C117 D119 R125 D126 V127P4-M123 HydrophobicContact CG-CE 4.36Å; P4-M123 HydrophobicContact CG-CG 3.65Å; P4-M123 HydrophobicContact CG-SD 4.13Å; V93-M123 HydrophobicContact CG2-CG 4.5Å; V116-M123 HydrophobicContact CG1-CE 4.01Å; V116-M123 HydrophobicContact CG1-SD 3.95Å; C117-M123 WeakPolarHBondContact O-CE 3.47Å; D119-M123 HydrophobicContact CB-CB 3.92Å; D119-M123 PolarHBondContact OD2-N 3.5Å; M123-R125 VanDerWaalsContact C-N 3.3Å; M123-R125 PolarHBondContact O-N 2.98Å; M123-D126 PolarHBondContact O-N 3.45Å; M123-V127 HydrophobicContact CG-CG2 4.42Å; M123-V127 WeakPolarHBondContact O-CB 3.43Å; M123-V127 VanDerWaalsContact O-CG2 3.28Å; M123-V127 WeakPolarHBondContact O-CG2 3.37Å; M123-V127 PolarHBondContact O-N 3.02Å; M123-V127 HydrophobicContact SD-CB 4.49Å; M123-V127 HydrophobicContact SD-CG2 3.68Å
124A97.1Very high97.5Very high12 Ų1243.5 Ų43.510%0.09922%0.215CC..Hα-helixtrans-60.8-38.8-18000000112.7D119 N122 Q128 V163D119-A124 WeakPolarHBondContact O-CB 3.31Å; D119-A124 PolarHBondContact O-N 3.36Å; N122-A124 PolarHBondContact O-N 3.49Å; A124-Q128 WeakPolarHBondContact O-CB 3.17Å; A124-Q128 PolarHBondContact O-N 3.08Å; A124-V163 HydrophobicContact CB-CB 4.38Å; A124-V163 HydrophobicContact CB-CG1 3.82Å
125R96.9Very high97.5Very high179 Ų17943.2 Ų43.268%0.67521%0.213SC*.Hα-helixtrans-67.7-46.6178-65-174.9176.5-169-2.9111.3R121 N122 M123 V127 Q128 A129R121-R125 WeakPolarHBondContact O-CD 3.48Å; N122-R125 PolarHBondContact O-N 2.9Å; N122-R125 VanDerWaalsContact O-N 3.16Å; M123-R125 VanDerWaalsContact C-N 3.3Å; M123-R125 PolarHBondContact O-N 2.98Å; R125-V127 VanDerWaalsContact C-N 3.34Å; R125-V127 PolarHBondContact O-N 3.3Å; R125-Q128 PolarHBondContact O-N 3.47Å; R125-A129 WeakPolarHBondContact O-CB 3.28Å; R125-A129 PolarHBondContact O-N 3.3Å
126D98.2Very high97.5Very high70 Ų7041.5 Ų41.537%0.37421%0.209SC..Hα-helixtrans-63.5-40.7179.1-68.1-13000111.6Q94 N122 M123 T130Q94-D126 HydrophobicContact CG-CB 4.31Å; Q94-D126 PolarHBondContact NE2-OD2 3.01Å; N122-D126 PolarHBondContact O-N 2.89Å; M123-D126 PolarHBondContact O-N 3.45Å; D126-T130 VanDerWaalsContact O-CB 3.24Å; D126-T130 WeakPolarHBondContact O-CB 3.29Å; D126-T130 PolarHBondContact O-N 2.83Å; D126-T130 PolarHBondContact O-OG1 3.47Å
127V98.5Very high97.5Very high1 Ų145.4 Ų45.41%0.00623%0.227CC..Hα-helixtrans-64.2-43.7175.7167.40000111I2 V93 M97 V116 M123 R125 T130 L131I2-V127 HydrophobicContact CB-CG1 4.49Å; I2-V127 HydrophobicContact CG2-CG1 4.19Å; I2-V127 HydrophobicContact CG2-CG2 3.84Å; V93-V127 HydrophobicContact CG2-CG2 3.96Å; M97-V127 HydrophobicContact CE-CG1 4.11Å; M97-V127 HydrophobicContact SD-CG1 4.01Å; M97-V127 HydrophobicContact SD-CG2 4.31Å; V116-V127 HydrophobicContact CG1-CB 4.44Å; V116-V127 HydrophobicContact CG1-CG1 4.11Å; V116-V127 HydrophobicContact CG2-CG1 3.72Å; M123-V127 HydrophobicContact CG-CG2 4.42Å; M123-V127 WeakPolarHBondContact O-CB 3.43Å; M123-V127 VanDerWaalsContact O-CG2 3.28Å; M123-V127 WeakPolarHBondContact O-CG2 3.37Å; M123-V127 PolarHBondContact O-N 3.02Å; M123-V127 HydrophobicContact SD-CB 4.49Å; M123-V127 HydrophobicContact SD-CG2 3.68Å; R125-V127 VanDerWaalsContact C-N 3.34Å; R125-V127 PolarHBondContact O-N 3.3Å; V127-T130 PolarHBondContact O-N 3.36Å; V127-L131 WeakPolarHBondContact O-CB 3.17Å; V127-L131 PolarHBondContact O-N 3.27Å
128Q98.3Very high97.5Very high67 Ų6747.7 Ų47.731%0.31324%0.238SC..Hα-helixtrans-65.8-45.1177.6-170.8176.234.400111.8A124 R125 T130 L131 I132 V150A124-Q128 WeakPolarHBondContact O-CB 3.17Å; A124-Q128 PolarHBondContact O-N 3.08Å; R125-Q128 PolarHBondContact O-N 3.47Å; Q128-T130 VanDerWaalsContact C-N 3.28Å; Q128-T130 PolarHBondContact O-N 2.85Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.15Å; Q128-I132 HydrophobicContact CG-CD1 4.35Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.48Å; Q128-V150 HydrophobicContact CG-CG1 4.46Å
129A98.4Very high97.3Very high55 Ų5551.9 Ų51.946%0.45526%0.257SS..Hα-helixtrans-59.8-41.4175.900000111.6R125 I132 H133R125-A129 WeakPolarHBondContact O-CB 3.28Å; R125-A129 PolarHBondContact O-N 3.3Å; A129-I132 PolarHBondContact O-N 2.95Å; A129-H133 PolarHBondContact O-N 2.89Å
130T98.6Very high97.4Very high16 Ų1658 Ų5810%0.09828%0.281CS..Hα-helixtrans-65.5-40.6176.2-62.40000112.2Q94 M97 L98 D126 V127 Q128 H133 I134Q94-T130 HydrophobicContact CB-CG2 4.07Å; Q94-T130 WeakPolarHBondContact CB-OG1 3.47Å; M97-T130 HydrophobicContact CB-CG2 4Å; M97-T130 HydrophobicContact CE-CG2 4.12Å; L98-T130 HydrophobicContact CD1-CG2 4.33Å; L98-T130 HydrophobicContact CD2-CG2 3.77Å; L98-T130 HydrophobicContact CG-CG2 3.65Å; D126-T130 VanDerWaalsContact O-CB 3.24Å; D126-T130 WeakPolarHBondContact O-CB 3.29Å; D126-T130 PolarHBondContact O-N 2.83Å; D126-T130 PolarHBondContact O-OG1 3.47Å; V127-T130 PolarHBondContact O-N 3.36Å; Q128-T130 VanDerWaalsContact C-N 3.28Å; Q128-T130 PolarHBondContact O-N 2.85Å; T130-H133 PolarHBondContact O-N 2.87Å; T130-I134 HydrophobicContact CG2-CD1 3.97Å; T130-I134 HydrophobicContact CG2-CG1 4.45Å; T130-I134 VanDerWaalsContact O-CG1 3.3Å; T130-I134 WeakPolarHBondContact O-CG1 3.25Å; T130-I134 PolarHBondContact O-N 3.15Å
131L98.4Very high97.5Very high0 Ų058.1 Ų58.10%028%0.278CS..Hα-helixtrans-60.2-46.4174.8176.561.1000111.4M97 F104 L108 V127 Q128 H133 I134 I135 V150 Y159M97-L131 HydrophobicContact CE-CB 4.46Å; F104-L131 HydrophobicContact CD1-CD1 4.34Å; F104-L131 HydrophobicContact CE1-CD1 3.49Å; F104-L131 VanDerWaalsContact CE1-CD1 3.49Å; F104-L131 HydrophobicContact CZ-CD1 4.1Å; L108-L131 HydrophobicContact CD1-CD1 3.79Å; V127-L131 WeakPolarHBondContact O-CB 3.17Å; V127-L131 PolarHBondContact O-N 3.27Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.15Å; L131-H133 VanDerWaalsContact C-N 3.32Å; L131-H133 PolarHBondContact O-N 3.33Å; L131-I134 PolarHBondContact O-N 2.9Å; L131-I135 HydrophobicContact CD1-CD1 3.98Å; L131-I135 HydrophobicContact CD1-CG1 4.37Å; L131-I135 HydrophobicContact CG-CD1 3.96Å; L131-I135 WeakPolarHBondContact O-CD1 3.4Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.36Å; L131-I135 PolarHBondContact O-N 3.19Å; L131-V150 HydrophobicContact CD2-CG1 4.24Å; L131-V150 HydrophobicContact CD2-CG2 3.92Å; L131-V150 HydrophobicContact CG-CG2 3.94Å; L131-Y159 HydrophobicContact CD2-CD2 3.69Å; L131-Y159 HydrophobicContact CD2-CE2 3.57Å
132I98.6Very high97.8Very high28 Ų2854.2 Ų54.214%0.14427%0.272CS..Hα-helixtrans-59.8-45.1176.4-66.4168.4000110.2Q128 A129 I135 S136 M143 A146 A147 V150Q128-I132 HydrophobicContact CG-CD1 4.35Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.48Å; A129-I132 PolarHBondContact O-N 2.95Å; I132-I135 PolarHBondContact O-N 3.29Å; I132-S136 WeakPolarHBondContact O-CB 3.48Å; I132-S136 PolarHBondContact O-N 3.3Å; I132-M143 HydrophobicContact CG2-CE 3.64Å; I132-M143 HydrophobicContact CG2-SD 4.31Å; I132-A146 HydrophobicContact CG2-CB 3.77Å; I132-A146 WeakPolarHBondContact O-CB 3.41Å; I132-A147 HydrophobicContact CD1-CB 4.05Å; I132-A147 HydrophobicContact CG2-CB 4.4Å; I132-V150 HydrophobicContact CG1-CB 4.43Å; I132-V150 HydrophobicContact CG1-CG2 3.79Å
133H98.7Very high98Very high70 Ų7053.7 Ų53.732%0.32427%0.267SS..Hα-helixtrans-62-45.4178.2-175.767.7000112.5A129 T130 L131 I135 S136 E137A129-H133 PolarHBondContact O-N 2.89Å; T130-H133 PolarHBondContact O-N 2.87Å; L131-H133 VanDerWaalsContact C-N 3.32Å; L131-H133 PolarHBondContact O-N 3.33Å; H133-I135 VanDerWaalsContact C-N 3.32Å; H133-I135 PolarHBondContact O-N 3.18Å; H133-S136 PolarHBondContact O-N 3.12Å; H133-E137 IonicContact CE1-OE1 3.78Å; H133-E137 PolarHBondContact CE1-OE1 3.16Å; H133-E137 VanDerWaalsContact NE2-CD 3.32Å; H133-E137 IonicContact NE2-OE1 3.33Å; H133-E137 PolarHBondContact NE2-OE1 2.76Å; H133-E137 IonicContact NE2-OE2 3.69Å; H133-E137 WeakPolarHBondContact O-CG 3.49Å; H133-E137 PolarHBondContact O-N 3.36Å
134I98.6Very high98.1Very high0 Ų059.2 Ų59.20%030%0.297CS..Hα-helixtrans-57.7-45.4175.4-70.6168.9000110.9M97 L98 K101 F104 W105 T130 L131 E137 E138M97-I134 HydrophobicContact CB-CD1 3.92Å; M97-I134 HydrophobicContact CE-CD1 4.43Å; L98-I134 HydrophobicContact CD2-CD1 4.43Å; L98-I134 HydrophobicContact CD2-CG1 3.95Å; K101-I134 HydrophobicContact CB-CD1 4.33Å; K101-I134 HydrophobicContact CB-CG1 3.88Å; K101-I134 HydrophobicContact CB-CG2 4.07Å; F104-I134 HydrophobicContact CD1-CG2 4.45Å; F104-I134 HydrophobicContact CG-CD1 4.45Å; W105-I134 HydrophobicContact CB-CG2 4.49Å; T130-I134 HydrophobicContact CG2-CD1 3.97Å; T130-I134 HydrophobicContact CG2-CG1 4.45Å; T130-I134 VanDerWaalsContact O-CG1 3.3Å; T130-I134 WeakPolarHBondContact O-CG1 3.25Å; T130-I134 PolarHBondContact O-N 3.15Å; L131-I134 PolarHBondContact O-N 2.9Å; I134-E137 PolarHBondContact O-N 3.45Å; I134-E138 HydrophobicContact CG2-CG 4.32Å; I134-E138 WeakPolarHBondContact O-CB 3.49Å; I134-E138 WeakPolarHBondContact O-CG 3.48Å; I134-E138 PolarHBondContact O-N 2.9Å
135I98.4Very high98.1Very high0 Ų063.9 Ų63.90%032%0.317CS..Hα-helixtrans-63.8-46.5178.7-66.7163.9000110.5W105 L108 L131 I132 H133 E137 H139 V141 A146 Y149 V150W105-I135 HydrophobicContact CE3-CG1 4.25Å; W105-I135 HydrophobicContact CZ3-CB 4.31Å; W105-I135 HydrophobicContact CZ3-CG1 3.99Å; W105-I135 HydrophobicContact CZ3-CG2 4.03Å; L108-I135 HydrophobicContact CD1-CD1 4.35Å; L108-I135 HydrophobicContact CD1-CG1 4Å; L131-I135 HydrophobicContact CD1-CD1 3.98Å; L131-I135 HydrophobicContact CD1-CG1 4.37Å; L131-I135 HydrophobicContact CG-CD1 3.96Å; L131-I135 WeakPolarHBondContact O-CD1 3.4Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.36Å; L131-I135 PolarHBondContact O-N 3.19Å; I132-I135 PolarHBondContact O-N 3.29Å; H133-I135 VanDerWaalsContact C-N 3.32Å; H133-I135 PolarHBondContact O-N 3.18Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 2.8Å; I135-H139 HydrophobicContact CG2-CB 4.42Å; I135-H139 WeakPolarHBondContact O-CA 3.47Å; I135-H139 WeakPolarHBondContact O-CB 3.43Å; I135-H139 PolarHBondContact O-N 2.91Å; I135-V141 HydrophobicContact CG2-CG2 4.44Å; I135-A146 HydrophobicContact CB-CB 4.01Å; I135-A146 HydrophobicContact CG2-CB 3.75Å; I135-Y149 HydrophobicContact CD1-CD1 3.86Å; I135-Y149 HydrophobicContact CD1-CE1 4.45Å; I135-Y149 HydrophobicContact CG2-CG 4.34Å; I135-V150 HydrophobicContact CD1-CG2 3.53Å
136S98.5Very high98.2Very high20 Ų2055.3 Ų55.314%0.1429%0.285CS..Hα-helixtrans-58.2-46.6178.9178.30000111.6I132 H133 K140 V141I132-S136 WeakPolarHBondContact O-CB 3.48Å; I132-S136 PolarHBondContact O-N 3.3Å; H133-S136 PolarHBondContact O-N 3.12Å; S136-K140 VanDerWaalsContact O-CA 3.25Å; S136-K140 WeakPolarHBondContact O-CA 3.48Å; S136-K140 PolarHBondContact O-N 3.28Å; S136-V141 WeakPolarHBondContact CA-O 3.32Å; S136-V141 WeakPolarHBondContact CB-O 3.29Å; S136-V141 PolarHBondContact O-N 3.49Å; S136-V141 PolarHBondContact OG-O 3.38Å
137E98.1Very high98.2Very high84 Ų8453.9 Ų53.939%0.39328%0.282SS..Hα-helixtrans-70.3-48-179.4-69-162.3140.500113.3K101 H133 I134 I135K101-E137 WeakPolarHBondContact CD-OE2 3.45Å; K101-E137 IonicContact NZ-OE2 3.92Å; K101-E137 PolarHBondContact NZ-OE2 3.02Å; H133-E137 IonicContact CE1-OE1 3.78Å; H133-E137 PolarHBondContact CE1-OE1 3.16Å; H133-E137 VanDerWaalsContact NE2-CD 3.32Å; H133-E137 IonicContact NE2-OE1 3.33Å; H133-E137 PolarHBondContact NE2-OE1 2.76Å; H133-E137 IonicContact NE2-OE2 3.69Å; H133-E137 WeakPolarHBondContact O-CG 3.49Å; H133-E137 PolarHBondContact O-N 3.36Å; I134-E137 PolarHBondContact O-N 3.45Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 2.8Å
138E98Very high98.2Very high49 Ų4956.7 Ų56.723%0.22931%0.306CS..Hα-helixtrans-80.4-32.1-172.6-63.5-69.8140.100112.3K101 K102 W105 I134K101-E138 HydrophobicContact CB-CG 4.48Å; K101-E138 VanDerWaalsContact CD-OE1 3.31Å; K101-E138 WeakPolarHBondContact CD-OE1 3.19Å; K101-E138 WeakPolarHBondContact CE-OE1 3.48Å; K101-E138 WeakPolarHBondContact CG-OE1 3.28Å; K101-E138 IonicContact NZ-OE1 3.46Å; K102-E138 WeakPolarHBondContact CG-OE2 3.47Å; W105-E138 HydrophobicContact CB-CB 3.67Å; W105-E138 HydrophobicContact CB-CG 3.8Å; W105-E138 HydrophobicContact CD2-CB 3.85Å; W105-E138 HydrophobicContact CE3-CB 4.47Å; W105-E138 HydrophobicContact CG-CB 3.41Å; W105-E138 VanDerWaalsContact CG-CB 3.41Å; W105-E138 HydrophobicContact CG-CG 4.13Å; I134-E138 HydrophobicContact CG2-CG 4.32Å; I134-E138 WeakPolarHBondContact O-CB 3.49Å; I134-E138 WeakPolarHBondContact O-CG 3.48Å; I134-E138 PolarHBondContact O-N 2.9Å
139H95.4Very high98.2Very high92 Ų9256.5 Ų56.543%0.42630%0.303SS..Hα-helixtrans-91-8.1175.7-159.749.3000113.6W105 I135 V141W105-H139 HydrophobicContact CH2-CB 3.54Å; W105-H139 AromaticContact CH2-CG 3.55Å; W105-H139 AromaticContact CH2-ND1 3.61Å; W105-H139 HydrophobicContact CZ2-CB 3.68Å; W105-H139 AromaticContact CZ2-CG 3.66Å; W105-H139 AromaticContact CZ2-ND1 3.3Å; W105-H139 VanDerWaalsContact CZ2-ND1 3.3Å; W105-H139 WeakPolarHBondContact CZ2-ND1 3.42Å; W105-H139 HydrophobicContact CZ3-CB 4.09Å; I135-H139 HydrophobicContact CG2-CB 4.42Å; I135-H139 WeakPolarHBondContact O-CA 3.47Å; I135-H139 WeakPolarHBondContact O-CB 3.43Å; I135-H139 PolarHBondContact O-N 2.91Å; H139-V141 HydrophobicContact CB-CG2 4.3Å
140K97.3Very high98.2Very high186 Ų18654 Ų5481%0.80928%0.282SS*.THydrogen-bonded Turntrans5845.1179.6-54.2178.9-178.4177.20113.5S136S136-K140 VanDerWaalsContact O-CA 3.25Å; S136-K140 WeakPolarHBondContact O-CA 3.48Å; S136-K140 PolarHBondContact O-N 3.28Å
141V97.9Very high98.2Very high33 Ų3359 Ų5920%0.230%0.302CS..  trans-116.9161.4176.8-63.90000110.4I135 S136 H139 E145 A146I135-V141 HydrophobicContact CG2-CG2 4.44Å; S136-V141 WeakPolarHBondContact CA-O 3.32Å; S136-V141 WeakPolarHBondContact CB-O 3.29Å; S136-V141 PolarHBondContact O-N 3.49Å; S136-V141 PolarHBondContact OG-O 3.38Å; H139-V141 HydrophobicContact CB-CG2 4.3Å; V141-E145 HydrophobicContact CB-CB 3.83Å; V141-E145 HydrophobicContact CG2-CB 4.09Å; V141-A146 HydrophobicContact CG2-CB 4.14Å
142S98.5Very high98.1Very high56 Ų5663.6 Ų63.639%0.39232%0.324SS..  trans-61.2161.1174.3650000112D144 E145 A146S142-D144 PolarHBondContact O-N 2.96Å; S142-E145 WeakPolarHBondContact CB-OE2 3.41Å; S142-E145 PolarHBondContact N-OE2 3.46Å; S142-E145 PolarHBondContact O-N 2.83Å; S142-E145 WeakPolarHBondContact OG-CB 3.47Å; S142-E145 VanDerWaalsContact OG-CD 3.31Å; S142-E145 VanDerWaalsContact OG-CG 3.24Å; S142-E145 WeakPolarHBondContact OG-CG 3.44Å; S142-E145 PolarHBondContact OG-N 3.25Å; S142-E145 PolarHBondContact OG-OE2 3.16Å; S142-A146 WeakPolarHBondContact O-CB 3.49Å; S142-A146 PolarHBondContact O-N 2.66Å
143M98.4Very high98.1Very high91 Ų9162.3 Ų62.345%0.44832%0.317SS..Hα-helixtrans-59.9-34.4175.9-69.7-64.1-68.400112.1I132 A146 A147I132-M143 HydrophobicContact CG2-CE 3.64Å; I132-M143 HydrophobicContact CG2-SD 4.31Å; M143-A146 PolarHBondContact O-N 2.99Å; M143-A147 WeakPolarHBondContact O-CB 3.47Å; M143-A147 PolarHBondContact O-N 2.91Å
144D98.5Very high98Very high135 Ų13561.6 Ų61.672%0.72231%0.314SS*.Hα-helixtrans-69.8-42178.3-68.7-19.1000111.8S142 A147 A148S142-D144 PolarHBondContact O-N 2.96Å; D144-A147 PolarHBondContact O-N 3.27Å; D144-A148 WeakPolarHBondContact O-CB 3.44Å; D144-A148 PolarHBondContact O-N 2.8Å
145E98.5Very high98Very high109 Ų10966.2 Ų66.251%0.50934%0.342SS..Hα-helixtrans-64.5-40.4173.6-73166.6129.400111.6V141 S142 A148 Y149V141-E145 HydrophobicContact CB-CB 3.83Å; V141-E145 HydrophobicContact CG2-CB 4.09Å; S142-E145 WeakPolarHBondContact CB-OE2 3.41Å; S142-E145 PolarHBondContact N-OE2 3.46Å; S142-E145 PolarHBondContact O-N 2.83Å; S142-E145 WeakPolarHBondContact OG-CB 3.47Å; S142-E145 VanDerWaalsContact OG-CD 3.31Å; S142-E145 VanDerWaalsContact OG-CG 3.24Å; S142-E145 WeakPolarHBondContact OG-CG 3.44Å; S142-E145 PolarHBondContact OG-N 3.25Å; S142-E145 PolarHBondContact OG-OE2 3.16Å; E145-A148 PolarHBondContact O-N 3.48Å; E145-Y149 PolarHBondContact O-N 2.77Å
146A98.6Very high98Very high0 Ų070.3 Ų70.30%036%0.361CS..Hα-helixtrans-64.5-39.5174.500000112.1I132 I135 V141 S142 M143 Y149 V150I132-A146 HydrophobicContact CG2-CB 3.77Å; I132-A146 WeakPolarHBondContact O-CB 3.41Å; I135-A146 HydrophobicContact CB-CB 4.01Å; I135-A146 HydrophobicContact CG2-CB 3.75Å; V141-A146 HydrophobicContact CG2-CB 4.14Å; S142-A146 WeakPolarHBondContact O-CB 3.49Å; S142-A146 PolarHBondContact O-N 2.66Å; M143-A146 PolarHBondContact O-N 2.99Å; A146-Y149 WeakPolarHBondContact O-CB 3.26Å; A146-Y149 PolarHBondContact O-N 2.9Å; A146-V150 PolarHBondContact O-N 3.24Å
147A98.6Very high97.9Very high39 Ų3976 Ų7632%0.32238%0.383SS..Hα-helixtrans-64.4-41.8173.900000111.7I132 M143 D144 Y149 V150 K151I132-A147 HydrophobicContact CD1-CB 4.05Å; I132-A147 HydrophobicContact CG2-CB 4.4Å; M143-A147 WeakPolarHBondContact O-CB 3.47Å; M143-A147 PolarHBondContact O-N 2.91Å; D144-A147 PolarHBondContact O-N 3.27Å; A147-Y149 VanDerWaalsContact C-N 3.31Å; A147-Y149 PolarHBondContact O-N 3.27Å; A147-V150 PolarHBondContact O-N 3.16Å; A147-K151 PolarHBondContact O-N 3.21Å
148A98.4Very high97.9Very high61 Ų6173.5 Ų73.550%0.50437%0.37SS..Hα-helixtrans-62.4-37.5173.300000112D144 E145 K151 Q152D144-A148 WeakPolarHBondContact O-CB 3.44Å; D144-A148 PolarHBondContact O-N 2.8Å; E145-A148 PolarHBondContact O-N 3.48Å; A148-K151 WeakPolarHBondContact O-CB 3.49Å; A148-K151 PolarHBondContact O-N 2.8Å; A148-Q152 PolarHBondContact O-N 3.15Å
149Y97.9Very high97.9Very high63 Ų6371.8 Ų71.825%0.24736%0.361CS..Hα-helixtrans-60.8-48.2173.6-171.4-75.5000111.6I135 E145 A146 A147 K151 Q152 M153I135-Y149 HydrophobicContact CD1-CD1 3.86Å; I135-Y149 HydrophobicContact CD1-CE1 4.45Å; I135-Y149 HydrophobicContact CG2-CG 4.34Å; E145-Y149 PolarHBondContact O-N 2.77Å; A146-Y149 WeakPolarHBondContact O-CB 3.26Å; A146-Y149 PolarHBondContact O-N 2.9Å; A147-Y149 VanDerWaalsContact C-N 3.31Å; A147-Y149 PolarHBondContact O-N 3.27Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 3.39Å; Y149-Q152 WeakPolarHBondContact O-CB 3.46Å; Y149-Q152 PolarHBondContact O-N 3.44Å; Y149-Q152 VanDerWaalsContact O-N 3.12Å; Y149-M153 HydrophobicContact CD1-CG 3.95Å; Y149-M153 HydrophobicContact CD1-SD 3.83Å; Y149-M153 HydrophobicContact CE1-CG 3.73Å; Y149-M153 HydrophobicContact CE1-SD 3.55Å; Y149-M153 VanDerWaalsContact CE1-SD 3.55Å; Y149-M153 WeakPolarHBondContact O-CG 3.48Å; Y149-M153 PolarHBondContact O-N 3.43Å
150V98.2Very high98Very high1 Ų171.4 Ų71.41%0.00636%0.36CS..Hα-helixtrans-60.2-39.8175.7175.80000110.6Q128 L131 I132 I135 A146 A147 Q152 M153 E154Q128-V150 HydrophobicContact CG-CG1 4.46Å; L131-V150 HydrophobicContact CD2-CG1 4.24Å; L131-V150 HydrophobicContact CD2-CG2 3.92Å; L131-V150 HydrophobicContact CG-CG2 3.94Å; I132-V150 HydrophobicContact CG1-CB 4.43Å; I132-V150 HydrophobicContact CG1-CG2 3.79Å; I135-V150 HydrophobicContact CD1-CG2 3.53Å; A146-V150 PolarHBondContact O-N 3.24Å; A147-V150 PolarHBondContact O-N 3.16Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 2.75Å; V150-M153 WeakPolarHBondContact O-CB 3.43Å; V150-M153 PolarHBondContact O-N 3.12Å; V150-M153 VanDerWaalsContact O-N 3.13Å; V150-E154 PolarHBondContact O-N 3.12Å; V150-E154 VanDerWaalsContact O-N 3.09Å
151K98Very high98Very high123 Ų12366.2 Ų66.254%0.53534%0.344SS..Hα-helixtrans-61.9-40175.3-171.457.1175.5-1800112.4A147 A148 Y149 M153 E154 V155A147-K151 PolarHBondContact O-N 3.21Å; A148-K151 WeakPolarHBondContact O-CB 3.49Å; A148-K151 PolarHBondContact O-N 2.8Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 3.39Å; K151-M153 VanDerWaalsContact C-N 3.31Å; K151-M153 PolarHBondContact O-N 3.36Å; K151-E154 WeakPolarHBondContact CD-OE2 3.16Å; K151-E154 IonicContact NZ-OE2 3.59Å; K151-E154 PolarHBondContact NZ-OE2 3.19Å; K151-E154 WeakPolarHBondContact O-CB 3.4Å; K151-E154 PolarHBondContact O-N 2.84Å; K151-V155 PolarHBondContact O-N 2.79Å
152Q97.6Very high98Very high96 Ų9669 Ų6945%0.44936%0.358SS..Hα-helixtrans-65-36.2175-175.860.316.500111.9A148 Y149 V150 E154 V155 Q156A148-Q152 PolarHBondContact O-N 3.15Å; Y149-Q152 WeakPolarHBondContact O-CB 3.46Å; Y149-Q152 PolarHBondContact O-N 3.44Å; Y149-Q152 VanDerWaalsContact O-N 3.12Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 2.75Å; Q152-E154 VanDerWaalsContact C-N 3.33Å; Q152-E154 PolarHBondContact O-N 2.87Å; Q152-V155 PolarHBondContact O-N 3.06Å; Q152-Q156 WeakPolarHBondContact O-CB 3.5Å; Q152-Q156 VanDerWaalsContact O-CG 3.29Å; Q152-Q156 WeakPolarHBondContact O-CG 3.48Å; Q152-Q156 PolarHBondContact O-N 3.47Å
153M98Very high97.9Very high0 Ų068.6 Ų68.60%035%0.353CS..Hα-helixtrans-62.6-37.8173.3-66.2179.56700112.5L108 V114 Y149 V150 K151 Q156 K157 R158 Y159L108-M153 HydrophobicContact CD2-CE 3.71Å; L108-M153 HydrophobicContact CD2-SD 4.37Å; V114-M153 HydrophobicContact CB-CE 4.37Å; V114-M153 HydrophobicContact CG2-CE 3.85Å; Y149-M153 HydrophobicContact CD1-CG 3.95Å; Y149-M153 HydrophobicContact CD1-SD 3.83Å; Y149-M153 HydrophobicContact CE1-CG 3.73Å; Y149-M153 HydrophobicContact CE1-SD 3.55Å; Y149-M153 VanDerWaalsContact CE1-SD 3.55Å; Y149-M153 WeakPolarHBondContact O-CG 3.48Å; Y149-M153 PolarHBondContact O-N 3.43Å; V150-M153 WeakPolarHBondContact O-CB 3.43Å; V150-M153 PolarHBondContact O-N 3.12Å; V150-M153 VanDerWaalsContact O-N 3.13Å; K151-M153 VanDerWaalsContact C-N 3.31Å; K151-M153 PolarHBondContact O-N 3.36Å; M153-Q156 CarbonylContact O-C 3.53Å; M153-Q156 PolarHBondContact O-N 3.31Å; M153-K157 PolarHBondContact O-N 2.86Å; M153-K157 VanDerWaalsContact O-N 3.11Å; M153-R158 HydrophobicContact CB-CB 4.28Å; M153-R158 HydrophobicContact CE-CB 4.25Å; M153-R158 PolarHBondContact O-N 3.31Å; M153-Y159 PolarHBondContact O-N 3.29Å; M153-Y159 VanDerWaalsContact O-N 3.15Å
154E97.5Very high97.8Very high55 Ų5569.2 Ų69.226%0.25735%0.35SS..Hα-helixtrans-61.6-45.7174.1-71.8175.3-179.800111.6V150 K151 Q152 Q156 K157 Y159V150-E154 PolarHBondContact O-N 3.12Å; V150-E154 VanDerWaalsContact O-N 3.09Å; K151-E154 WeakPolarHBondContact CD-OE2 3.16Å; K151-E154 IonicContact NZ-OE2 3.59Å; K151-E154 PolarHBondContact NZ-OE2 3.19Å; K151-E154 WeakPolarHBondContact O-CB 3.4Å; K151-E154 PolarHBondContact O-N 2.84Å; Q152-E154 VanDerWaalsContact C-N 3.33Å; Q152-E154 PolarHBondContact O-N 2.87Å; E154-Q156 VanDerWaalsContact C-N 3.3Å; E154-Q156 PolarHBondContact O-N 2.81Å; E154-K157 PolarHBondContact O-N 3.26Å; E154-Y159 HydrophobicContact CG-CD1 3.68Å; E154-Y159 HydrophobicContact CG-CG 4.4Å
155V97.8Very high97.3Very high97 Ų9764.9 Ų64.959%0.58834%0.338SS*.Hα-helixtrans-60.4-42.6177174.60000110.7K151 Q152 K157K151-V155 PolarHBondContact O-N 2.79Å; Q152-V155 PolarHBondContact O-N 3.06Å; V155-K157 PolarHBondContact O-N 3.39Å
156Q97.3Very high95.9Very high86 Ų8667.7 Ų67.740%0.40236%0.363SS..THydrogen-bonded Turntrans-75.91.6177.1-67.5173.9-18.400114Q152 M153 E154 R158Q152-Q156 WeakPolarHBondContact O-CB 3.5Å; Q152-Q156 VanDerWaalsContact O-CG 3.29Å; Q152-Q156 WeakPolarHBondContact O-CG 3.48Å; Q152-Q156 PolarHBondContact O-N 3.47Å; M153-Q156 CarbonylContact O-C 3.53Å; M153-Q156 PolarHBondContact O-N 3.31Å; E154-Q156 VanDerWaalsContact C-N 3.3Å; E154-Q156 PolarHBondContact O-N 2.81Å; Q156-R158 HydrophobicContact CB-CG 4.13Å; Q156-R158 PolarHBondContact O-N 3.42Å; Q156-R158 VanDerWaalsContact O-N 3.11Å
157K97.2Very high95.8Very high139 Ų13971.1 Ų71.160%0.60438%0.381SS*.THydrogen-bonded Turntrans57.421-174.7-52.9-61.2-176.6-177.40114.2Y113 M153 E154 V155 Q160Y113-K157 WeakPolarHBondContact CD1-O 3.24Å; M153-K157 PolarHBondContact O-N 2.86Å; M153-K157 VanDerWaalsContact O-N 3.11Å; E154-K157 PolarHBondContact O-N 3.26Å; V155-K157 PolarHBondContact O-N 3.39Å; K157-Q160 PolarHBondContact O-NE2 2.85Å
158R97.5Very high95.6Very high33 Ų3372.8 Ų72.813%0.12538%0.384CS..  trans-88-15.4174.2-66.1-165.4-58.7132.6-3.7113.1Y113 V114 M153 Q156Y113-R158 CarbonylContact C-O 3.57Å; Y113-R158 WeakPolarHBondContact CA-O 3.3Å; Y113-R158 HydrophobicContact CD1-CB 4.4Å; Y113-R158 HydrophobicContact CD1-CG 4.26Å; Y113-R158 HydrophobicContact CE1-CG 4.08Å; V114-R158 PolarHBondContact N-O 3.41Å; M153-R158 HydrophobicContact CB-CB 4.28Å; M153-R158 HydrophobicContact CE-CB 4.25Å; M153-R158 PolarHBondContact O-N 3.31Å; Q156-R158 HydrophobicContact CB-CG 4.13Å; Q156-R158 PolarHBondContact O-N 3.42Å; Q156-R158 VanDerWaalsContact O-N 3.11Å
159Y98.3Very high95.5Very high12 Ų1273.4 Ų73.45%0.04738%0.377CS..EExtended strand (participates in β ladder)trans-118.2117.2167.4-177.1-96.7000108.6V114 V116 L131 M153 E154 T161V114-Y159 HydrophobicContact CB-CD2 3.86Å; V114-Y159 HydrophobicContact CG1-CD2 3.67Å; V114-Y159 HydrophobicContact CG1-CE2 3.85Å; V114-Y159 WeakPolarHBondContact O-CA 3.34Å; V116-Y159 HydrophobicContact CG2-CE2 3.89Å; L131-Y159 HydrophobicContact CD2-CD2 3.69Å; L131-Y159 HydrophobicContact CD2-CE2 3.57Å; M153-Y159 PolarHBondContact O-N 3.29Å; M153-Y159 VanDerWaalsContact O-N 3.15Å; E154-Y159 HydrophobicContact CG-CD1 3.68Å; E154-Y159 HydrophobicContact CG-CG 4.4Å; Y159-T161 HydrophobicContact CD1-CG2 4.29Å; Y159-T161 HydrophobicContact CE1-CG2 3.56Å
160Q98.1Very high95.3Very high84 Ų8474.1 Ų74.139%0.39339%0.385SS..EExtended strand (participates in β ladder)trans-130.6145-178.3-63.8-172.746.100110.8V114 Y115 V116 K157V114-Q160 PolarHBondContact O-N 3.39Å; Y115-Q160 WeakPolarHBondContact CA-O 3.47Å; Y115-Q160 HydrophobicContact CD1-CB 3.84Å; Y115-Q160 HydrophobicContact CE1-CB 4.14Å; Y115-Q160 HydrophobicContact CE1-CG 4.31Å; V116-Q160 PolarHBondContact N-O 2.87Å; K157-Q160 PolarHBondContact O-NE2 2.85Å
161T97.6Very high95.1Very high78 Ų7878.6 Ų78.648%0.47941%0.409SS..EExtended strand (participates in β ladder)trans-128.1138.4-178.964.90000110.3V116 Y159V116-T161 HydrophobicContact CB-CG2 4.2Å; V116-T161 CarbonylContact O-C 3.59Å; V116-T161 VanDerWaalsContact O-CA 3.29Å; V116-T161 WeakPolarHBondContact O-CA 3.48Å; Y159-T161 HydrophobicContact CD1-CG2 4.29Å; Y159-T161 HydrophobicContact CE1-CG2 3.56Å
162D97.8Very high94.9Very high90 Ų9075.7 Ų75.748%0.48140%0.4SS..EExtended strand (participates in β ladder)trans-128.481.6169.9179.116.2000107.4V116 C117 G118 W164V116-D162 PolarHBondContact O-N 3Å; C117-D162 WeakPolarHBondContact CA-O 3.5Å; C117-D162 HydrophobicContact CB-CB 4.39Å; C117-D162 PolarHBondContact SG-O 2.99Å; G118-D162 PolarHBondContact N-O 3.26Å; D162-W164 WeakPolarHBondContact O-CZ3 3.38Å
163V96.6Very high94.8Very high49 Ų4974.2 Ų74.230%0.29740%0.397SS..EExtended strand (participates in β ladder)trans-124141.6-167.7-62.60000110.8G118 A120 A124G118-V163 VanDerWaalsContact O-CA 3.26Å; G118-V163 WeakPolarHBondContact O-CA 3.45Å; A120-V163 HydrophobicContact CB-CB 3.81Å; A120-V163 HydrophobicContact CB-CG2 3.81Å; A124-V163 HydrophobicContact CB-CB 4.38Å; A124-V163 HydrophobicContact CB-CG1 3.82Å
164W95.7Very high94.5Very high103 Ų10379.9 Ų79.939%0.3943%0.427SS..EExtended strand (participates in β ladder)trans-131.9150.8-178.857.991.5000111.2C117 G118 A120 D162C117-W164 WeakPolarHBondContact SG-CZ3 3.34Å; G118-W164 PolarHBondContact O-N 3.45Å; A120-W164 WeakPolarHBondContact CB-O 3.4Å; A120-W164 PolarHBondContact N-O 2.93Å; D162-W164 WeakPolarHBondContact O-CZ3 3.38Å
165G88.7Confident94.3Very high45 Ų4582 Ų8246%0.46444%0.442SS..  trans-108.2150.8169.100000110
166T68.4Low93.9Very high168 Ų16880.6 Ų80.6100%1.03143%0.428SS*.  trans-78.40149.745.20000109.6R121R121-T166 PolarHBondContact NE-O 3.45Å; R121-T166 VanDerWaalsContact NE-O 3.1Å; R121-T166 PolarHBondContact NH2-O 3.17Å; R121-T166 PolarHBondContact NH2-OXT 3.46Å

Retrieved 166 of 166 residues in 162.4 ms (Link to these results)

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