A0A096NFS9_PAPAN Loading...

GABA type A receptor associated protein like 1

AlphaFold DB , UniProt , Accession A0A096NFS9, Species PAPAN (Papio anubis, Olive baboon), Gene GABARAPL1, Length 146 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
1M57.7Low83.1Confident97 Ų9777.6 Ų77.648%0.47838%0.375SS..  0117.10-164.4146.1170.300108.5N82 I134 R145M1-N82 PolarHBondContact SD-OD1 2.87Å; M1-N82 VanDerWaalsContact SD-OD1 3.36Å; M1-I134 VanDerWaalsContact N-CD1 3.28Å; M1-R145 HydrophobicContact CE-CB 4.18Å; M1-R145 HydrophobicContact CE-CG 4.26Å
2K73.3Confident83.2Confident158 Ų15881.8 Ų81.869%0.68739%0.393SS*.  trans-94.1135.6-175.7-66.4-178.7172.6-165.70110.9E7 R145K2-E7 WeakPolarHBondContact CD-OE1 3.29Å; K2-R145 VanDerWaalsContact O-CZ 3.27Å; K2-R145 PolarHBondContact O-NH1 3.32Å; K2-R145 PolarHBondContact O-NH2 3.33Å
3F82.6Confident83.5Confident36 Ų3684.1 Ų84.116%0.15840%0.397CS..  trans-113.2124.9176.5-72.8-78.8000108.5Y5 K6 E7 E34 T143 R145F3-Y5 VanDerWaalsContact C-N 3.3Å; F3-Y5 PolarHBondContact O-N 3.16Å; F3-K6 HydrophobicContact CB-CB 4.24Å; F3-K6 HydrophobicContact CB-CD 4.23Å; F3-K6 HydrophobicContact CB-CG 4.05Å; F3-K6 HydrophobicContact CD2-CD 4.31Å; F3-K6 PolarHBondContact O-N 3.34Å; F3-K6 VanDerWaalsContact O-N 3.11Å; F3-E7 PolarHBondContact O-N 3.46Å; F3-E34 WeakPolarHBondContact CA-OE2 3.47Å; F3-E34 HydrophobicContact CD1-CB 4.36Å; F3-T143 HydrophobicContact CD1-CG2 3.32Å; F3-T143 HydrophobicContact CD2-CG2 4.39Å; F3-T143 HydrophobicContact CE1-CG2 3.18Å; F3-T143 HydrophobicContact CE2-CG2 4.27Å; F3-T143 HydrophobicContact CG-CG2 3.95Å; F3-T143 HydrophobicContact CZ-CG2 3.68Å; F3-R145 HydrophobicContact CE1-CB 4.31Å; F3-R145 HydrophobicContact CE1-CG 4.26Å
4Q87.4Confident83.8Confident83 Ų8379 Ų7939%0.38837%0.372SS..Hα-helixtrans-62.7-40.5-174.6-170.163.957.600110.9K6 E7 D8 E34Q4-K6 PolarHBondContact O-N 2.87Å; Q4-E7 WeakPolarHBondContact O-CB 3.5Å; Q4-E7 PolarHBondContact O-N 3.11Å; Q4-D8 WeakPolarHBondContact CG-OD2 3.32Å; Q4-D8 PolarHBondContact NE2-OD1 3.45Å; Q4-D8 PolarHBondContact O-N 2.85Å; Q4-E34 PolarHBondContact N-OE1 3.48Å; Q4-E34 PolarHBondContact N-OE2 3.43Å
5Y87.4Confident83.8Confident16 Ų1678.2 Ų78.26%0.06337%0.367CS..Hα-helixtrans-60.6-30.6178.2-171.4-101.3000113.1F3 H9 R14 E17 I32 E34 K48 Y141F3-Y5 VanDerWaalsContact C-N 3.3Å; F3-Y5 PolarHBondContact O-N 3.16Å; Y5-H9 AromaticContact CD2-CD2 3.37Å; Y5-H9 WeakPolarHBondContact CD2-CD2 3.35Å; Y5-H9 AromaticContact CD2-NE2 3.79Å; Y5-H9 AromaticContact CE2-CD2 3.21Å; Y5-H9 WeakPolarHBondContact CE2-CD2 3.35Å; Y5-H9 AromaticContact CE2-NE2 3.49Å; Y5-H9 WeakPolarHBondContact CE2-NE2 3.21Å; Y5-H9 AromaticContact CG-CD2 3.96Å; Y5-H9 AromaticContact CZ-CD2 3.7Å; Y5-H9 WeakPolarHBondContact O-CB 3.23Å; Y5-H9 PolarHBondContact O-CD2 3.48Å; Y5-H9 PolarHBondContact O-N 3.21Å; Y5-R14 HydrophobicContact CD1-CG 4.43Å; Y5-R14 HydrophobicContact CE1-CG 3.86Å; Y5-E17 PolarHBondContact OH-OE1 2.83Å; Y5-I32 HydrophobicContact CD1-CD1 4.06Å; Y5-I32 HydrophobicContact CD1-CG1 3.73Å; Y5-I32 HydrophobicContact CD1-CG2 4.49Å; Y5-I32 HydrophobicContact CD2-CD1 4.25Å; Y5-I32 HydrophobicContact CE1-CD1 3.9Å; Y5-I32 HydrophobicContact CE1-CG1 3.87Å; Y5-I32 HydrophobicContact CE2-CD1 4.1Å; Y5-I32 HydrophobicContact CG-CD1 4.23Å; Y5-I32 HydrophobicContact CG-CG1 4.15Å; Y5-I32 HydrophobicContact CG-CG2 4.24Å; Y5-E34 WeakPolarHBondContact CB-OE1 3.48Å; Y5-E34 PolarHBondContact N-OE1 3.1Å; Y5-K48 HydrophobicContact CE2-CD 4.08Å; Y5-K48 HydrophobicContact CE2-CG 4.43Å; Y5-K48 WeakPolarHBondContact OH-CE 3.42Å; Y5-K48 PolarHBondContact OH-NZ 3.46Å; Y5-K48 VanDerWaalsContact OH-NZ 3.11Å; Y5-Y141 HydrophobicContact CE1-CD2 4.41Å
6K85.8Confident84Confident58 Ų5883.3 Ų83.325%0.25239%0.387SS..Hα-helixtrans-78.3-24.3177.2-66.8-171.6174.8-172.80112.3F3 Q4 D137F3-K6 HydrophobicContact CB-CB 4.24Å; F3-K6 HydrophobicContact CB-CD 4.23Å; F3-K6 HydrophobicContact CB-CG 4.05Å; F3-K6 HydrophobicContact CD2-CD 4.31Å; F3-K6 PolarHBondContact O-N 3.34Å; F3-K6 VanDerWaalsContact O-N 3.11Å; Q4-K6 PolarHBondContact O-N 2.87Å; K6-D137 PolarHBondContact NZ-O 3.25Å; K6-D137 VanDerWaalsContact NZ-O 3.11Å
7E89.1Confident84.2Confident108 Ų10880.5 Ų80.551%0.50537%0.374SS..Hα-helixtrans-80.8-42.3174.4-65.1-177.3175.200110.9K2 F3 Q4 H9K2-E7 WeakPolarHBondContact CD-OE1 3.29Å; F3-E7 PolarHBondContact O-N 3.46Å; Q4-E7 WeakPolarHBondContact O-CB 3.5Å; Q4-E7 PolarHBondContact O-N 3.11Å; E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 3.05Å
8D89.8Confident84.3Confident89 Ų8976.4 Ų76.448%0.47636%0.358SS..Hα-helixtrans-70.4-26.5-179.3-61.1-15000112.7Q4Q4-D8 WeakPolarHBondContact CG-OD2 3.32Å; Q4-D8 PolarHBondContact NE2-OD1 3.45Å; Q4-D8 PolarHBondContact O-N 2.85Å
9H88.4Confident84.5Confident55 Ų5577.4 Ų77.426%0.25536%0.362SS..SBendtrans-129.4121.8-174.6-57.7-64.3000112.4Y5 E7 Y13 R14Y5-H9 AromaticContact CD2-CD2 3.37Å; Y5-H9 WeakPolarHBondContact CD2-CD2 3.35Å; Y5-H9 AromaticContact CD2-NE2 3.79Å; Y5-H9 AromaticContact CE2-CD2 3.21Å; Y5-H9 WeakPolarHBondContact CE2-CD2 3.35Å; Y5-H9 AromaticContact CE2-NE2 3.49Å; Y5-H9 WeakPolarHBondContact CE2-NE2 3.21Å; Y5-H9 AromaticContact CG-CD2 3.96Å; Y5-H9 AromaticContact CZ-CD2 3.7Å; Y5-H9 WeakPolarHBondContact O-CB 3.23Å; Y5-H9 PolarHBondContact O-CD2 3.48Å; Y5-H9 PolarHBondContact O-N 3.21Å; E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 3.05Å; H9-Y13 HydrophobicContact CB-CD1 3.91Å; H9-Y13 HydrophobicContact CB-CE1 4.48Å; H9-Y13 AromaticContact ND1-CE1 3.89Å; H9-R14 HydrophobicContact CB-CG 3.53Å; H9-R14 WeakPolarHBondContact O-CD 3.48Å; H9-R14 PolarHBondContact O-NE 2.76Å
10P89.7Confident84.8Confident91 Ų9181.5 Ų81.559%0.59138%0.379SS*.  trans-64.8154.4178.226.8-33000111.2E12 Y13 R14P10-E12 VanDerWaalsContact C-N 3.34Å; P10-E12 PolarHBondContact O-N 2.97Å; P10-Y13 WeakPolarHBondContact O-CB 3.33Å; P10-Y13 PolarHBondContact O-N 3.48Å; P10-Y13 VanDerWaalsContact O-N 3.11Å; P10-R14 PolarHBondContact O-N 3.32Å; P10-R14 VanDerWaalsContact O-N 3.09Å
11F82.6Confident85.1Confident63 Ų6379.7 Ų79.728%0.27637%0.371SS..Hα-helixtrans-51.2-49.4-176173.4-105.6000113.3Y13 R14 K15 D137 L139F11-Y13 VanDerWaalsContact C-N 3.28Å; F11-Y13 PolarHBondContact O-N 3.45Å; F11-R14 PolarHBondContact O-N 2.98Å; F11-R14 VanDerWaalsContact O-N 3.1Å; F11-K15 HydrophobicContact CE1-CD 4.08Å; F11-K15 HydrophobicContact CZ-CB 4.49Å; F11-K15 HydrophobicContact CZ-CD 4.1Å; F11-K15 WeakPolarHBondContact O-CB 3.38Å; F11-K15 PolarHBondContact O-N 3.34Å; F11-D137 WeakPolarHBondContact CD2-OD2 3.31Å; F11-D137 WeakPolarHBondContact CE2-OD1 3.31Å; F11-L139 HydrophobicContact CE2-CB 4.17Å; F11-L139 HydrophobicContact CZ-CB 4.27Å; F11-L139 HydrophobicContact CZ-CD1 4.1Å
12E84.8Confident86.5Confident127 Ų12778.7 Ų78.759%0.59336%0.362SS*.Hα-helixtrans-59-39.4-178.8-67.2-55.6142.900112.8P10 K16P10-E12 VanDerWaalsContact C-N 3.34Å; P10-E12 PolarHBondContact O-N 2.97Å; E12-K16 WeakPolarHBondContact O-CB 3.48Å; E12-K16 PolarHBondContact O-N 3.01Å
13Y87.2Confident87.4Confident112 Ų11279.5 Ų79.544%0.43937%0.365SS..Hα-helixtrans-63.8-50.5175.1175.1-87000110.5H9 P10 F11 K15 K16 E17H9-Y13 HydrophobicContact CB-CD1 3.91Å; H9-Y13 HydrophobicContact CB-CE1 4.48Å; H9-Y13 AromaticContact ND1-CE1 3.89Å; P10-Y13 WeakPolarHBondContact O-CB 3.33Å; P10-Y13 PolarHBondContact O-N 3.48Å; P10-Y13 VanDerWaalsContact O-N 3.11Å; F11-Y13 VanDerWaalsContact C-N 3.28Å; F11-Y13 PolarHBondContact O-N 3.45Å; Y13-K15 VanDerWaalsContact C-N 3.32Å; Y13-K15 PolarHBondContact O-N 3.44Å; Y13-K16 PolarHBondContact O-N 3.23Å; Y13-E17 HydrophobicContact CE1-CB 4.46Å; Y13-E17 WeakPolarHBondContact CE1-OE2 3.24Å; Y13-E17 WeakPolarHBondContact O-CB 3.39Å; Y13-E17 PolarHBondContact O-N 2.93Å; Y13-E17 PolarHBondContact OH-OE2 2.76Å
14R87.4Confident88Confident13 Ų1384.6 Ų84.65%0.04939%0.388CS..Hα-helixtrans-62.1-40.8-177.7-64-175.8-79109.5-5.5111.2Y5 H9 P10 F11 E17 G18 D137 T140Y5-R14 HydrophobicContact CD1-CG 4.43Å; Y5-R14 HydrophobicContact CE1-CG 3.86Å; H9-R14 HydrophobicContact CB-CG 3.53Å; H9-R14 WeakPolarHBondContact O-CD 3.48Å; H9-R14 PolarHBondContact O-NE 2.76Å; P10-R14 PolarHBondContact O-N 3.32Å; P10-R14 VanDerWaalsContact O-N 3.09Å; F11-R14 PolarHBondContact O-N 2.98Å; F11-R14 VanDerWaalsContact O-N 3.1Å; R14-E17 PolarHBondContact O-N 2.73Å; R14-G18 PolarHBondContact O-N 2.65Å; R14-D137 IonicContact CZ-OD2 3.32Å; R14-D137 VanDerWaalsContact CZ-OD2 3.32Å; R14-D137 IonicContact NH1-OD2 2.72Å; R14-D137 PolarHBondContact NH1-OD2 3.03Å; R14-D137 IonicContact NH2-OD2 2.94Å; R14-D137 PolarHBondContact NH2-OD2 3.07Å; R14-T140 HydrophobicContact CB-CG2 3.26Å; R14-T140 PolarHBondContact NH1-OG1 3.42Å; R14-T140 WeakPolarHBondContact O-CG2 3.46Å
15K83.4Confident88.3Confident67 Ų6785 Ų8529%0.29139%0.386SS..Hα-helixtrans-61.8-53.8176.7-178.9-177.9176.4-175.40111.3F11 Y13 E17 G18 E19F11-K15 HydrophobicContact CE1-CD 4.08Å; F11-K15 HydrophobicContact CZ-CB 4.49Å; F11-K15 HydrophobicContact CZ-CD 4.1Å; F11-K15 WeakPolarHBondContact O-CB 3.38Å; F11-K15 PolarHBondContact O-N 3.34Å; Y13-K15 VanDerWaalsContact C-N 3.32Å; Y13-K15 PolarHBondContact O-N 3.44Å; K15-E17 VanDerWaalsContact C-N 3.26Å; K15-E17 PolarHBondContact O-N 3.45Å; K15-G18 PolarHBondContact O-N 3.11Å; K15-E19 WeakPolarHBondContact CE-OE1 3.45Å; K15-E19 WeakPolarHBondContact O-CG 3.03Å; K15-E19 PolarHBondContact O-N 3.02Å
16K86.9Confident88.6Confident160 Ų16087.9 Ų87.970%0.69641%0.407SS*.Hα-helixtrans-58.7-39.7179.3-173.6176.7-177.1176.50112E12 Y13 K20E12-K16 WeakPolarHBondContact O-CB 3.48Å; E12-K16 PolarHBondContact O-N 3.01Å; Y13-K16 PolarHBondContact O-N 3.23Å; K16-K20 VanDerWaalsContact O-CB 3.31Å; K16-K20 WeakPolarHBondContact O-CB 3.47Å; K16-K20 PolarHBondContact O-N 2.58Å
17E88.2Confident88.9Confident36 Ų3690.8 Ų90.817%0.16843%0.425CS..Hα-helixtrans-67.9-44.4177.6-157.4-159.486.300112Y5 Y13 R14 K15 K20 I21 K48 Y141Y5-E17 PolarHBondContact OH-OE1 2.83Å; Y13-E17 HydrophobicContact CE1-CB 4.46Å; Y13-E17 WeakPolarHBondContact CE1-OE2 3.24Å; Y13-E17 WeakPolarHBondContact O-CB 3.39Å; Y13-E17 PolarHBondContact O-N 2.93Å; Y13-E17 PolarHBondContact OH-OE2 2.76Å; R14-E17 PolarHBondContact O-N 2.73Å; K15-E17 VanDerWaalsContact C-N 3.26Å; K15-E17 PolarHBondContact O-N 3.45Å; E17-K20 PolarHBondContact O-N 2.83Å; E17-I21 PolarHBondContact O-N 3.41Å; E17-K48 WeakPolarHBondContact OE1-CE 3.31Å; E17-K48 IonicContact OE1-NZ 2.65Å; E17-K48 PolarHBondContact OE1-NZ 3.02Å; E17-K48 IonicContact OE2-NZ 3.02Å; E17-K48 PolarHBondContact OE2-NZ 3.45Å; E17-Y141 PolarHBondContact OE1-OH 2.92Å
18G86.6Confident89.1Confident7 Ų791 Ų917%0.07242%0.422CS..Hα-helixtrans-59.1-46.3174.900000112.7R14 K15 I21 R22R14-G18 PolarHBondContact O-N 2.65Å; K15-G18 PolarHBondContact O-N 3.11Å; G18-I21 VanDerWaalsContact O-CG2 3.32Å; G18-I21 WeakPolarHBondContact O-CG2 3.49Å; G18-I21 PolarHBondContact O-N 3.3Å; G18-R22 WeakPolarHBondContact O-CB 3.21Å; G18-R22 VanDerWaalsContact O-CG 3.24Å; G18-R22 WeakPolarHBondContact O-CG 3.37Å; G18-R22 PolarHBondContact O-N 2.92Å
19E87.5Confident89.2Confident95 Ų9586.9 Ų86.944%0.44440%0.4SS..Hα-helixtrans-63.1-43.5176.1-72.2176.3-17300111.9K15 R22 K23K15-E19 WeakPolarHBondContact CE-OE1 3.45Å; K15-E19 WeakPolarHBondContact O-CG 3.03Å; K15-E19 PolarHBondContact O-N 3.02Å; E19-R22 PolarHBondContact O-N 3.3Å; E19-K23 WeakPolarHBondContact O-CG 3.33Å; E19-K23 PolarHBondContact O-N 2.95Å
20K91.1Very high89.4Confident159 Ų15984.4 Ų84.469%0.69139%0.388SS*.Hα-helixtrans-62.1-46.1178.9-176.7-179.5179.8-179.40111.6K16 E17 K23 K24K16-K20 VanDerWaalsContact O-CB 3.31Å; K16-K20 WeakPolarHBondContact O-CB 3.47Å; K16-K20 PolarHBondContact O-N 2.58Å; E17-K20 PolarHBondContact O-N 2.83Å; K20-K23 PolarHBondContact O-N 2.89Å; K20-K24 PolarHBondContact O-N 3.37Å; K20-K24 VanDerWaalsContact O-N 3.11Å
21I89.8Confident89.6Confident43 Ų4380.1 Ų80.122%0.22136%0.36CS..Hα-helixtrans-70.8-35.4-177.5-16267.5000111.7E17 G18 K24 Y25 P30 L50E17-I21 PolarHBondContact O-N 3.41Å; G18-I21 VanDerWaalsContact O-CG2 3.32Å; G18-I21 WeakPolarHBondContact O-CG2 3.49Å; G18-I21 PolarHBondContact O-N 3.3Å; I21-K24 PolarHBondContact O-N 3.17Å; I21-Y25 HydrophobicContact CD1-CD2 3.58Å; I21-Y25 HydrophobicContact CD1-CE2 3.6Å; I21-Y25 HydrophobicContact CG1-CD2 4.04Å; I21-Y25 PolarHBondContact O-N 3.03Å; I21-P30 HydrophobicContact CG2-CB 3.87Å; I21-P30 HydrophobicContact CG2-CG 4.01Å; I21-L50 HydrophobicContact CD1-CD2 4.46Å; I21-L50 HydrophobicContact CG1-CD1 4.09Å; I21-L50 HydrophobicContact CG1-CD2 4.32Å
22R88.3Confident90Very high77 Ų7777.2 Ų77.229%0.29135%0.348SS..Hα-helixtrans-65.4-40.6174.1-76.3-72.5-62.3165.40.4112.4G18 E19 K24 Y25 P26 R28 P30G18-R22 WeakPolarHBondContact O-CB 3.21Å; G18-R22 VanDerWaalsContact O-CG 3.24Å; G18-R22 WeakPolarHBondContact O-CG 3.37Å; G18-R22 PolarHBondContact O-N 2.92Å; E19-R22 PolarHBondContact O-N 3.3Å; R22-K24 VanDerWaalsContact C-N 3.29Å; R22-K24 PolarHBondContact O-N 3.49Å; R22-Y25 CarbonylContact O-C 3.51Å; R22-Y25 VanDerWaalsContact O-C 3.27Å; R22-Y25 PolarHBondContact O-N 2.85Å; R22-P26 PolarHBondContact NH1-O 3.39Å; R22-P26 VanDerWaalsContact O-CA 3.29Å; R22-P26 WeakPolarHBondContact O-CA 3.44Å; R22-R28 WeakPolarHBondContact CD-O 3.14Å; R22-R28 PolarHBondContact NH1-O 3.11Å; R22-P30 HydrophobicContact CG-CG 4.08Å
23K91.3Very high90.4Very high174 Ų17471.1 Ų71.176%0.75732%0.319SS*.Hα-helixtrans-63-36.6173-74.9176-179.8177.30112E19 K20E19-K23 WeakPolarHBondContact O-CG 3.33Å; E19-K23 PolarHBondContact O-N 2.95Å; K20-K23 PolarHBondContact O-N 2.89Å
24K95.6Very high90.6Very high143 Ų14366.2 Ų66.262%0.62230%0.3SS*.Hα-helixtrans-75.1-35.5179.3-171174.1179.8179.50113K20 I21 R22K20-K24 PolarHBondContact O-N 3.37Å; K20-K24 VanDerWaalsContact O-N 3.11Å; I21-K24 PolarHBondContact O-N 3.17Å; R22-K24 VanDerWaalsContact C-N 3.29Å; R22-K24 PolarHBondContact O-N 3.49Å
25Y94.6Very high90.7Very high91 Ų9168.3 Ų68.336%0.35731%0.31SS..  trans-133.580-178.1-55.2-72.1000109.9I21 R22 D27 R28 L50I21-Y25 HydrophobicContact CD1-CD2 3.58Å; I21-Y25 HydrophobicContact CD1-CE2 3.6Å; I21-Y25 HydrophobicContact CG1-CD2 4.04Å; I21-Y25 PolarHBondContact O-N 3.03Å; R22-Y25 CarbonylContact O-C 3.51Å; R22-Y25 VanDerWaalsContact O-C 3.27Å; R22-Y25 PolarHBondContact O-N 2.85Å; Y25-D27 VanDerWaalsContact C-N 3.29Å; Y25-D27 PolarHBondContact O-N 3.09Å; Y25-R28 PolarHBondContact O-N 3.1Å; Y25-R28 VanDerWaalsContact O-N 3.16Å; Y25-L50 HydrophobicContact CD2-CD2 3.41Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.41Å; Y25-L50 HydrophobicContact CE2-CD2 3.88Å; Y25-L50 HydrophobicContact CG-CD2 3.81Å
26P92.1Very high90.9Very high77 Ų7766.2 Ų66.250%0.531%0.305SS..THydrogen-bonded Turntrans-63.1-35-17323.6-33.5000113.1R22 R28R22-P26 PolarHBondContact NH1-O 3.39Å; R22-P26 VanDerWaalsContact O-CA 3.29Å; R22-P26 WeakPolarHBondContact O-CA 3.44Å; P26-R28 PolarHBondContact O-N 3.29Å
27D93.3Very high90.8Very high120 Ų12064 Ų6464%0.64231%0.307SS*.THydrogen-bonded Turntrans-82.49.5-178.7-48.7-44.9000113.1Y25 S53Y25-D27 VanDerWaalsContact C-N 3.29Å; Y25-D27 PolarHBondContact O-N 3.09Å; D27-S53 PolarHBondContact O-N 3.06Å; D27-S53 PolarHBondContact O-OG 3.21Å
28R93.3Very high90.7Very high112 Ų11271.9 Ų71.942%0.42334%0.341SS..EExtended strand (participates in β ladder)trans-126.4141.8-178.3-59.1-167.5-179.9-146.61.9112.9R22 Y25 P26 L50 V51R22-R28 WeakPolarHBondContact CD-O 3.14Å; R22-R28 PolarHBondContact NH1-O 3.11Å; Y25-R28 PolarHBondContact O-N 3.1Å; Y25-R28 VanDerWaalsContact O-N 3.16Å; P26-R28 PolarHBondContact O-N 3.29Å; R28-L50 HydrophobicContact CB-CD1 3.61Å; R28-L50 HydrophobicContact CB-CD2 4.29Å; R28-L50 HydrophobicContact CB-CG 3.68Å; R28-L50 HydrophobicContact CG-CG 4.34Å; R28-V51 CarbonylContact C-O 3.27Å; R28-V51 VanDerWaalsContact CA-O 3.23Å; R28-V51 WeakPolarHBondContact CA-O 3.43Å; R28-V51 WeakPolarHBondContact CB-O 3.44Å
29V92.3Very high90.7Very high3 Ų372.7 Ų72.72%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-99.9122.8179.5178.80000109.3V31 V51 Y95V29-V31 HydrophobicContact CG1-CG2 3.87Å; V29-V51 PolarHBondContact N-O 3.2Å; V29-V51 PolarHBondContact O-N 3Å; V29-Y95 HydrophobicContact CG1-CD2 3.51Å; V29-Y95 HydrophobicContact CG1-CE2 4.31Å; V29-Y95 HydrophobicContact CG1-CG 3.67Å; V29-Y95 HydrophobicContact CG2-CG 4.3Å
30P92.6Very high90.7Very high2 Ų280 Ų801%0.01337%0.37CS..EExtended strand (participates in β ladder)trans-75.4123.8169.730.6-32.3000110.1I21 R22 Y49 L50 Y95 Y141I21-P30 HydrophobicContact CG2-CB 3.87Å; I21-P30 HydrophobicContact CG2-CG 4.01Å; R22-P30 HydrophobicContact CG-CG 4.08Å; P30-Y49 WeakPolarHBondContact CA-O 3.47Å; P30-L50 HydrophobicContact CB-CD1 4.43Å; P30-Y95 HydrophobicContact CG-CE2 4.48Å; P30-Y141 HydrophobicContact CB-CD1 3.51Å; P30-Y141 HydrophobicContact CB-CE1 3.34Å; P30-Y141 HydrophobicContact CB-CG 4.18Å; P30-Y141 HydrophobicContact CG-CD1 4.48Å; P30-Y141 WeakPolarHBondContact O-CA 3.44Å
31V92.1Very high90.5Very high1 Ų173.3 Ų73.31%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-126.2130.7-176.7-178.10000109.5V29 V33 Y49 V51 F60 M91 G142 V144V29-V31 HydrophobicContact CG1-CG2 3.87Å; V31-V33 HydrophobicContact CG1-CG2 3.99Å; V31-Y49 PolarHBondContact N-O 3.01Å; V31-Y49 PolarHBondContact O-N 2.89Å; V31-V51 HydrophobicContact CB-CG2 4.43Å; V31-V51 HydrophobicContact CG2-CG2 4.02Å; V31-F60 HydrophobicContact CG1-CE1 4.1Å; V31-F60 HydrophobicContact CG1-CZ 4.08Å; V31-M91 HydrophobicContact CG1-CE 4.24Å; V31-M91 HydrophobicContact CG2-CE 3.63Å; V31-G142 VanDerWaalsContact CG1-O 3.31Å; V31-G142 WeakPolarHBondContact CG1-O 3.5Å; V31-V144 HydrophobicContact CG1-CB 4.41Å; V31-V144 HydrophobicContact CG1-CG2 3.86Å
32I91.7Very high90.5Very high2 Ų274.2 Ų74.21%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-99126.1168.3-63.9-52.9000108Y5 E34 R47 K48 Y141 G142 T143 V144Y5-I32 HydrophobicContact CD1-CD1 4.06Å; Y5-I32 HydrophobicContact CD1-CG1 3.73Å; Y5-I32 HydrophobicContact CD1-CG2 4.49Å; Y5-I32 HydrophobicContact CD2-CD1 4.25Å; Y5-I32 HydrophobicContact CE1-CD1 3.9Å; Y5-I32 HydrophobicContact CE1-CG1 3.87Å; Y5-I32 HydrophobicContact CE2-CD1 4.1Å; Y5-I32 HydrophobicContact CG-CD1 4.23Å; Y5-I32 HydrophobicContact CG-CG1 4.15Å; Y5-I32 HydrophobicContact CG-CG2 4.24Å; I32-E34 HydrophobicContact CG2-CG 4.11Å; I32-R47 CarbonylContact C-O 3.46Å; I32-R47 VanDerWaalsContact CA-O 3.29Å; I32-R47 WeakPolarHBondContact CA-O 3.3Å; I32-K48 HydrophobicContact CD1-CB 4.09Å; I32-K48 HydrophobicContact CD1-CD 4.41Å; I32-K48 HydrophobicContact CD1-CG 3.57Å; I32-Y141 HydrophobicContact CD1-CD1 3.52Å; I32-Y141 HydrophobicContact CD1-CE1 3.81Å; I32-Y141 HydrophobicContact CD1-CG 3.94Å; I32-Y141 VanDerWaalsContact CG1-CB 3.48Å; I32-Y141 HydrophobicContact CG1-CD1 3.57Å; I32-Y141 HydrophobicContact CG1-CD2 4.26Å; I32-Y141 HydrophobicContact CG1-CE1 4.34Å; I32-Y141 HydrophobicContact CG1-CG 3.55Å; I32-G142 PolarHBondContact N-O 3.11Å; I32-T143 HydrophobicContact CB-CG2 4.23Å; I32-T143 HydrophobicContact CG2-CG2 4.25Å; I32-T143 CarbonylContact O-C 3.59Å; I32-T143 WeakPolarHBondContact O-CA 3.43Å; I32-V144 PolarHBondContact O-N 3.49Å
33V92.4Very high90.5Very high0 Ų076.2 Ų76.20%037%0.368CS..EExtended strand (participates in β ladder)trans-112.3123.4174.5-171.90000109.3V31 L44 R47 Y49 F60 I64 V144 L146V31-V33 HydrophobicContact CG1-CG2 3.99Å; V33-L44 HydrophobicContact CB-CD2 4.08Å; V33-L44 HydrophobicContact CG1-CD1 4.39Å; V33-L44 HydrophobicContact CG1-CD2 3.68Å; V33-R47 PolarHBondContact N-O 3.27Å; V33-R47 WeakPolarHBondContact O-CA 3.45Å; V33-R47 WeakPolarHBondContact O-CB 3.36Å; V33-Y49 HydrophobicContact CB-CD2 4.02Å; V33-Y49 HydrophobicContact CB-CE2 3.77Å; V33-Y49 HydrophobicContact CG2-CD2 3.51Å; V33-Y49 HydrophobicContact CG2-CE2 3.7Å; V33-Y49 HydrophobicContact CG2-CG 4.46Å; V33-F60 HydrophobicContact CG2-CE1 3.94Å; V33-F60 HydrophobicContact CG2-CZ 3.7Å; V33-I64 HydrophobicContact CG2-CD1 4.35Å; V33-V144 VanDerWaalsContact CA-O 3.26Å; V33-V144 WeakPolarHBondContact CA-O 3.3Å; V33-V144 HydrophobicContact CG2-CB 4.41Å; V33-L146 HydrophobicContact CG1-CD2 4.01Å; V33-L146 HydrophobicContact CG1-CG 3.95Å
34E91.4Very high90.4Very high8 Ų869.1 Ų69.14%0.03734%0.338CS..EExtended strand (participates in β ladder)trans-125.8151.2174.6-73.3-174.3-157.500110.5F3 Q4 Y5 I32 V144 R145 L146F3-E34 WeakPolarHBondContact CA-OE2 3.47Å; F3-E34 HydrophobicContact CD1-CB 4.36Å; Q4-E34 PolarHBondContact N-OE1 3.48Å; Q4-E34 PolarHBondContact N-OE2 3.43Å; Y5-E34 WeakPolarHBondContact CB-OE1 3.48Å; Y5-E34 PolarHBondContact N-OE1 3.1Å; I32-E34 HydrophobicContact CG2-CG 4.11Å; E34-V144 PolarHBondContact N-O 3.49Å; E34-R145 HydrophobicContact CB-CG 4.5Å; E34-R145 CarbonylContact O-C 3.57Å; E34-R145 VanDerWaalsContact O-CA 3.23Å; E34-R145 WeakPolarHBondContact O-CA 3.37Å; E34-R145 WeakPolarHBondContact O-CG 3.46Å; E34-L146 PolarHBondContact O-N 3.17Å
35K89.6Confident90.1Very high58 Ų5866.9 Ų66.925%0.25233%0.333SS..  trans-79.7142.7172.4175.7178.5161.8-177.30110.5A39 V41 D43 L44 R145K35-A39 WeakPolarHBondContact CE-O 3.27Å; K35-A39 HydrophobicContact CG-CB 4.05Å; K35-V41 HydrophobicContact CD-CG2 3.87Å; K35-V41 WeakPolarHBondContact CE-O 3.39Å; K35-V41 HydrophobicContact CG-CG2 3.8Å; K35-V41 PolarHBondContact NZ-O 3.18Å; K35-D43 WeakPolarHBondContact CD-OD1 3.34Å; K35-D43 IonicContact NZ-OD1 2.8Å; K35-D43 PolarHBondContact NZ-OD1 2.96Å; K35-L44 HydrophobicContact CB-CD1 4.43Å; K35-R145 PolarHBondContact O-NE 3.38Å; K35-R145 PolarHBondContact O-NH2 3.17Å
36A88.2Confident89.8Confident22 Ų2268.9 Ų68.918%0.18234%0.343CS..  trans-67141.7169.200000111.4K38 A39 R145 L146A36-K38 PolarHBondContact O-N 3.5Å; A36-A39 HydrophobicContact CB-CB 3.96Å; A36-A39 WeakPolarHBondContact O-CB 3.38Å; A36-A39 PolarHBondContact O-N 3.07Å; A36-R145 VanDerWaalsContact CA-NE 3.34Å; A36-R145 HydrophobicContact CB-CG 4.31Å; A36-L146 WeakPolarHBondContact CB-O 3.43Å; A36-L146 PolarHBondContact N-O 3.37Å
37P84.3Confident89.7Confident114 Ų11470.8 Ų70.874%0.7434%0.34SS*.THydrogen-bonded Turntrans-59.3-24.1-174.8-24.735.3000113.8
38K86.1Confident89.7Confident202 Ų20269.3 Ų69.388%0.87833%0.328SS*.THydrogen-bonded Turntrans-103.5-1179.4-60.9-177179.2-179.10113.4A36A36-K38 PolarHBondContact O-N 3.5Å
39A87.1Confident89.7Confident24 Ų2465.7 Ų65.720%0.19832%0.315CS..  trans-72.7133.2-178.800000110.6K35 A36 V41K35-A39 WeakPolarHBondContact CE-O 3.27Å; K35-A39 HydrophobicContact CG-CB 4.05Å; A36-A39 HydrophobicContact CB-CB 3.96Å; A36-A39 WeakPolarHBondContact O-CB 3.38Å; A36-A39 PolarHBondContact O-N 3.07Å; A39-V41 VanDerWaalsContact C-N 3.25Å; A39-V41 HydrophobicContact CB-CG2 4.03Å; A39-V41 PolarHBondContact O-N 3.16Å
40R87.1Confident89.7Confident249 Ų24968 Ų6894%0.9433%0.327SS*.  trans-93.348.5176.2-62.2-177-178.4-176.80.1111.1
41V87.5Confident89.8Confident17 Ų1768.3 Ų68.310%0.10333%0.328CS..SBendtrans-110.3153.3175.7-61.30000110.1K35 A39 I68 L76 L146K35-V41 HydrophobicContact CD-CG2 3.87Å; K35-V41 WeakPolarHBondContact CE-O 3.39Å; K35-V41 HydrophobicContact CG-CG2 3.8Å; K35-V41 PolarHBondContact NZ-O 3.18Å; A39-V41 VanDerWaalsContact C-N 3.25Å; A39-V41 HydrophobicContact CB-CG2 4.03Å; A39-V41 PolarHBondContact O-N 3.16Å; V41-I68 HydrophobicContact CB-CD1 4.39Å; V41-L76 HydrophobicContact CG1-CD1 4.42Å; V41-L146 HydrophobicContact CG2-CB 4.27Å; V41-L146 HydrophobicContact CG2-CD1 4.29Å
42P89.8Confident90Very high62 Ų6270.3 Ų70.340%0.40334%0.342SS..PPolyproline II helixtrans-58151.7172.2-2334.3000111.8I68P42-I68 HydrophobicContact CB-CB 4.22Å; P42-I68 WeakPolarHBondContact CG-O 3.18Å
43D88.3Confident90.2Very high120 Ų12072.2 Ų72.264%0.64236%0.355SS*.PPolyproline II helixtrans-73.1148.3179.3-63.3-45.4000111.4K35K35-D43 WeakPolarHBondContact CD-OD1 3.34Å; K35-D43 IonicContact NZ-OD1 2.8Å; K35-D43 PolarHBondContact NZ-OD1 2.96Å
44L89.6Confident90.3Very high24 Ų2477.9 Ų77.913%0.12639%0.386CS..PPolyproline II helixtrans-81.6135.8174.5-56.495.5000110.4V33 K35 K46 Y49 I64 I68 L146V33-L44 HydrophobicContact CB-CD2 4.08Å; V33-L44 HydrophobicContact CG1-CD1 4.39Å; V33-L44 HydrophobicContact CG1-CD2 3.68Å; K35-L44 HydrophobicContact CB-CD1 4.43Å; L44-K46 VanDerWaalsContact C-N 3.28Å; L44-K46 WeakPolarHBondContact CB-O 3.34Å; L44-K46 PolarHBondContact O-N 3.09Å; L44-Y49 HydrophobicContact CD2-CE2 4.13Å; L44-Y49 VanDerWaalsContact CD2-OH 3.29Å; L44-Y49 WeakPolarHBondContact CD2-OH 3.5Å; L44-I64 HydrophobicContact CD2-CD1 4.32Å; L44-I64 HydrophobicContact CD2-CG2 4.1Å; L44-I68 HydrophobicContact CG-CG2 3.91Å; L44-L146 HydrophobicContact CD1-CD1 3.57Å; L44-L146 HydrophobicContact CD1-CG 4.29Å; L44-L146 HydrophobicContact CD2-CD1 4.19Å; L44-L146 HydrophobicContact CG-CD1 4.07Å
45D88.1Confident90.5Very high97 Ų9778.7 Ų78.752%0.51939%0.39SS..SBendtrans-62.3-36.3172.364.1-31.1000112.2R67D45-R67 IonicContact OD2-CZ 3.91Å; D45-R67 IonicContact OD2-NH1 2.85Å; D45-R67 PolarHBondContact OD2-NH1 2.71Å
46K89.1Confident90.8Very high132 Ų13277.8 Ų77.857%0.57439%0.389SS*.  trans-133.7141.1179.7-63.5-178.9-176.3-178.40109.8L44 Y49L44-K46 VanDerWaalsContact C-N 3.28Å; L44-K46 WeakPolarHBondContact CB-O 3.34Å; L44-K46 PolarHBondContact O-N 3.09Å; K46-Y49 VanDerWaalsContact O-CE2 3.23Å; K46-Y49 WeakPolarHBondContact O-CE2 3.41Å; K46-Y49 PolarHBondContact O-OH 3.4Å
47R89.9Confident91.1Very high117 Ų11776.8 Ų76.844%0.44238%0.381SS..SBendtrans-98.7-17.9176.7-61.2178.4-173.5174.43113I32 V33I32-R47 CarbonylContact C-O 3.46Å; I32-R47 VanDerWaalsContact CA-O 3.29Å; I32-R47 WeakPolarHBondContact CA-O 3.3Å; V33-R47 PolarHBondContact N-O 3.27Å; V33-R47 WeakPolarHBondContact O-CA 3.45Å; V33-R47 WeakPolarHBondContact O-CB 3.36Å
48K92.5Very high91.6Very high89 Ų8972.7 Ų72.739%0.38736%0.36SS..EExtended strand (participates in β ladder)trans-102.7122.9-175.2-50.8-177.465.8164.30110Y5 E17 I32Y5-K48 HydrophobicContact CE2-CD 4.08Å; Y5-K48 HydrophobicContact CE2-CG 4.43Å; Y5-K48 WeakPolarHBondContact OH-CE 3.42Å; Y5-K48 PolarHBondContact OH-NZ 3.46Å; Y5-K48 VanDerWaalsContact OH-NZ 3.11Å; E17-K48 WeakPolarHBondContact OE1-CE 3.31Å; E17-K48 IonicContact OE1-NZ 2.65Å; E17-K48 PolarHBondContact OE1-NZ 3.02Å; E17-K48 IonicContact OE2-NZ 3.02Å; E17-K48 PolarHBondContact OE2-NZ 3.45Å; I32-K48 HydrophobicContact CD1-CB 4.09Å; I32-K48 HydrophobicContact CD1-CD 4.41Å; I32-K48 HydrophobicContact CD1-CG 3.57Å
49Y93.4Very high92.1Very high37 Ų3767.9 Ų67.915%0.14534%0.34CS..EExtended strand (participates in β ladder)trans-123.6143.1178.9-64.5-91.9000110.4P30 V31 V33 L44 K46 F60 I64P30-Y49 WeakPolarHBondContact CA-O 3.47Å; V31-Y49 PolarHBondContact N-O 3.01Å; V31-Y49 PolarHBondContact O-N 2.89Å; V33-Y49 HydrophobicContact CB-CD2 4.02Å; V33-Y49 HydrophobicContact CB-CE2 3.77Å; V33-Y49 HydrophobicContact CG2-CD2 3.51Å; V33-Y49 HydrophobicContact CG2-CE2 3.7Å; V33-Y49 HydrophobicContact CG2-CG 4.46Å; L44-Y49 HydrophobicContact CD2-CE2 4.13Å; L44-Y49 VanDerWaalsContact CD2-OH 3.29Å; L44-Y49 WeakPolarHBondContact CD2-OH 3.5Å; K46-Y49 VanDerWaalsContact O-CE2 3.23Å; K46-Y49 WeakPolarHBondContact O-CE2 3.41Å; K46-Y49 PolarHBondContact O-OH 3.4Å; Y49-F60 HydrophobicContact CG-CE2 4.44Å; Y49-F60 HydrophobicContact CG-CZ 4.36Å; Y49-I64 HydrophobicContact CD1-CD1 4.33Å; Y49-I64 HydrophobicContact CE1-CD1 3.78Å; Y49-I64 HydrophobicContact CE2-CD1 4.02Å
50L93.6Very high92.5Very high52 Ų5266.9 Ų66.927%0.27233%0.331SS..EExtended strand (participates in β ladder)trans-120.698.4173.8-174.167.2000108.1I21 Y25 R28 P30I21-L50 HydrophobicContact CD1-CD2 4.46Å; I21-L50 HydrophobicContact CG1-CD1 4.09Å; I21-L50 HydrophobicContact CG1-CD2 4.32Å; Y25-L50 HydrophobicContact CD2-CD2 3.41Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.41Å; Y25-L50 HydrophobicContact CE2-CD2 3.88Å; Y25-L50 HydrophobicContact CG-CD2 3.81Å; R28-L50 HydrophobicContact CB-CD1 3.61Å; R28-L50 HydrophobicContact CB-CD2 4.29Å; R28-L50 HydrophobicContact CB-CG 3.68Å; R28-L50 HydrophobicContact CG-CG 4.34Å; P30-L50 HydrophobicContact CB-CD1 4.43Å
51V94.4Very high92.9Very high7 Ų756.7 Ų56.74%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-105.9140.4-164.4-169.30000109.7R28 V29 V31 L55 F60 M91R28-V51 CarbonylContact C-O 3.27Å; R28-V51 VanDerWaalsContact CA-O 3.23Å; R28-V51 WeakPolarHBondContact CA-O 3.43Å; R28-V51 WeakPolarHBondContact CB-O 3.44Å; V29-V51 PolarHBondContact N-O 3.2Å; V29-V51 PolarHBondContact O-N 3Å; V31-V51 HydrophobicContact CB-CG2 4.43Å; V31-V51 HydrophobicContact CG2-CG2 4.02Å; V51-L55 HydrophobicContact CG1-CB 3.99Å; V51-L55 HydrophobicContact CG1-CD1 4.22Å; V51-L55 HydrophobicContact CG1-CD2 3.6Å; V51-L55 HydrophobicContact CG1-CG 4.13Å; V51-F60 HydrophobicContact CG1-CD2 4.2Å; V51-F60 HydrophobicContact CG2-CD2 4.06Å; V51-F60 HydrophobicContact CG2-CE2 3.61Å; V51-F60 HydrophobicContact CG2-CZ 4.26Å; V51-M91 HydrophobicContact CG1-CB 4.44Å; V51-M91 HydrophobicContact CG1-CG 3.95Å
52P96.8Very high93.2Very high44 Ų4462.6 Ų62.629%0.28632%0.317SS..EExtended strand (participates in β ladder)trans-56.3142.5171.9-2334.4000111.8D54 L55P52-D54 VanDerWaalsContact C-N 3.29Å; P52-D54 WeakPolarHBondContact CB-OD1 3.45Å; P52-D54 PolarHBondContact O-N 2.92Å; P52-L55 HydrophobicContact CB-CB 4.18Å; P52-L55 WeakPolarHBondContact O-CB 3.23Å; P52-L55 PolarHBondContact O-N 3.29Å
53S94.2Very high93.4Very high42 Ų4263.5 Ų63.529%0.29432%0.319SS..THydrogen-bonded Turntrans-68-27.6-178.352.70000113.7D27 T90 G92D27-S53 PolarHBondContact O-N 3.06Å; D27-S53 PolarHBondContact O-OG 3.21Å; S53-T90 VanDerWaalsContact O-CB 3.27Å; S53-T90 WeakPolarHBondContact O-CB 3.36Å; S53-T90 PolarHBondContact O-OG1 3.47Å; S53-G92 WeakPolarHBondContact O-CA 3.29Å; S53-G92 PolarHBondContact O-N 3.37Å
54D94.4Very high93.7Very high119 Ų11957.8 Ų57.864%0.63629%0.288SS*.THydrogen-bonded Turntrans-81.9-16.5177.962.4-30.1000113.4P52 T56P52-D54 VanDerWaalsContact C-N 3.29Å; P52-D54 WeakPolarHBondContact CB-OD1 3.45Å; P52-D54 PolarHBondContact O-N 2.92Å; D54-T56 PolarHBondContact O-N 3.07Å
55L96Very high93.9Very high25 Ų2560.3 Ų60.313%0.13130%0.296CS..  trans-62.6132.5177.9-170.7134.7000110.3V51 P52 Q59 F60 L63 T90 M91V51-L55 HydrophobicContact CG1-CB 3.99Å; V51-L55 HydrophobicContact CG1-CD1 4.22Å; V51-L55 HydrophobicContact CG1-CD2 3.6Å; V51-L55 HydrophobicContact CG1-CG 4.13Å; P52-L55 HydrophobicContact CB-CB 4.18Å; P52-L55 WeakPolarHBondContact O-CB 3.23Å; P52-L55 PolarHBondContact O-N 3.29Å; L55-Q59 HydrophobicContact CD1-CB 4.34Å; L55-Q59 HydrophobicContact CD2-CB 3.98Å; L55-Q59 HydrophobicContact CG-CB 3.88Å; L55-F60 HydrophobicContact CD2-CB 3.62Å; L55-F60 HydrophobicContact CD2-CD2 4.31Å; L55-F60 HydrophobicContact CD2-CG 4.39Å; L55-L63 HydrophobicContact CD1-CD1 3.88Å; L55-T90 CarbonylContact O-C 3.5Å; L55-T90 WeakPolarHBondContact O-CA 3.35Å; L55-M91 HydrophobicContact CD2-CG 4.02Å; L55-M91 WeakPolarHBondContact O-CG 3.29Å; L55-M91 PolarHBondContact O-N 2.85Å
56T96.9Very high94.2Very high39 Ų3962.8 Ų62.824%0.23930%0.302CS..BIsolated β-bridgetrans-80.1155.3-179.969.40000112.1D54 G58 Q59 F60 A89D54-T56 PolarHBondContact O-N 3.07Å; T56-G58 PolarHBondContact O-N 2.81Å; T56-Q59 WeakPolarHBondContact O-CB 3.31Å; T56-Q59 PolarHBondContact O-N 3.26Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 VanDerWaalsContact OG1-CG 3.3Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.37Å; T56-Q59 PolarHBondContact OG1-N 3.13Å; T56-Q59 VanDerWaalsContact OG1-N 3.17Å; T56-Q59 PolarHBondContact OG1-OE1 3.13Å; T56-F60 PolarHBondContact O-N 3.42Å; T56-A89 CarbonylContact C-O 3.56Å; T56-A89 WeakPolarHBondContact CA-O 3.37Å
57V94.6Very high94.4Very high1 Ų163 Ų631%0.00630%0.299CS..Hα-helixtrans-56.2-40.8173.4174.50000110.8Q59 F60 Y61 F78 P85 P86 A89 M91 L94V57-Q59 PolarHBondContact O-N 3.01Å; V57-F60 CarbonylContact O-C 3.58Å; V57-F60 WeakPolarHBondContact O-CA 3.49Å; V57-F60 WeakPolarHBondContact O-CB 3.43Å; V57-F60 PolarHBondContact O-N 2.91Å; V57-F60 VanDerWaalsContact O-N 3.07Å; V57-Y61 HydrophobicContact CG1-CD2 3.9Å; V57-Y61 HydrophobicContact CG1-CE2 3.72Å; V57-Y61 VanDerWaalsContact O-CD2 3.26Å; V57-Y61 WeakPolarHBondContact O-CD2 3.21Å; V57-Y61 PolarHBondContact O-N 2.95Å; V57-F78 HydrophobicContact CG1-CD2 4.37Å; V57-P85 HydrophobicContact CG1-CB 4.27Å; V57-P85 HydrophobicContact CG1-CG 3.87Å; V57-P85 HydrophobicContact CG2-CB 4.39Å; V57-P86 WeakPolarHBondContact CB-O 3.44Å; V57-A89 HydrophobicContact CG2-CB 4.49Å; V57-A89 WeakPolarHBondContact CG2-O 3.26Å; V57-A89 PolarHBondContact N-O 3.32Å; V57-M91 HydrophobicContact CG2-SD 4.05Å; V57-L94 HydrophobicContact CG2-CD1 3.28Å; V57-L94 HydrophobicContact CG2-CG 3.98Å
58G95.1Very high94.6Very high28 Ų2857.8 Ų57.829%0.28928%0.28SS..Hα-helixtrans-60.9-41.2175.700000113.4T56 F60 Y61 F62 T87T56-G58 PolarHBondContact O-N 2.81Å; G58-F60 VanDerWaalsContact C-N 3.29Å; G58-F60 PolarHBondContact O-N 3.01Å; G58-Y61 WeakPolarHBondContact O-CB 3.36Å; G58-Y61 PolarHBondContact O-N 3.2Å; G58-F62 PolarHBondContact O-N 2.86Å; G58-T87 PolarHBondContact N-O 2.95Å
59Q96.1Very high94.6Very high101 Ų10161.4 Ų61.447%0.47230%0.298SS..Hα-helixtrans-65.1-36.9172.1-72.2168-22.100111.2L55 T56 V57 F62 L63L55-Q59 HydrophobicContact CD1-CB 4.34Å; L55-Q59 HydrophobicContact CD2-CB 3.98Å; L55-Q59 HydrophobicContact CG-CB 3.88Å; T56-Q59 WeakPolarHBondContact O-CB 3.31Å; T56-Q59 PolarHBondContact O-N 3.26Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 VanDerWaalsContact OG1-CG 3.3Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.37Å; T56-Q59 PolarHBondContact OG1-N 3.13Å; T56-Q59 VanDerWaalsContact OG1-N 3.17Å; T56-Q59 PolarHBondContact OG1-OE1 3.13Å; V57-Q59 PolarHBondContact O-N 3.01Å; Q59-F62 WeakPolarHBondContact O-CB 3.46Å; Q59-F62 PolarHBondContact O-N 2.89Å; Q59-L63 WeakPolarHBondContact O-CG 3.4Å; Q59-L63 PolarHBondContact O-N 3.35Å
60F95.8Very high94.6Very high2 Ų260.5 Ų60.51%0.00930%0.296CS..Hα-helixtrans-66.3-39.4177.8-167.6-125000111.7V31 V33 Y49 V51 L55 T56 V57 G58 F62 L63 I64 F78 M91V31-F60 HydrophobicContact CG1-CE1 4.1Å; V31-F60 HydrophobicContact CG1-CZ 4.08Å; V33-F60 HydrophobicContact CG2-CE1 3.94Å; V33-F60 HydrophobicContact CG2-CZ 3.7Å; Y49-F60 HydrophobicContact CG-CE2 4.44Å; Y49-F60 HydrophobicContact CG-CZ 4.36Å; V51-F60 HydrophobicContact CG1-CD2 4.2Å; V51-F60 HydrophobicContact CG2-CD2 4.06Å; V51-F60 HydrophobicContact CG2-CE2 3.61Å; V51-F60 HydrophobicContact CG2-CZ 4.26Å; L55-F60 HydrophobicContact CD2-CB 3.62Å; L55-F60 HydrophobicContact CD2-CD2 4.31Å; L55-F60 HydrophobicContact CD2-CG 4.39Å; T56-F60 PolarHBondContact O-N 3.42Å; V57-F60 CarbonylContact O-C 3.58Å; V57-F60 WeakPolarHBondContact O-CA 3.49Å; V57-F60 WeakPolarHBondContact O-CB 3.43Å; V57-F60 PolarHBondContact O-N 2.91Å; V57-F60 VanDerWaalsContact O-N 3.07Å; G58-F60 VanDerWaalsContact C-N 3.29Å; G58-F60 PolarHBondContact O-N 3.01Å; F60-F62 VanDerWaalsContact C-N 3.29Å; F60-F62 PolarHBondContact O-N 3.35Å; F60-L63 HydrophobicContact CD2-CD1 4.47Å; F60-L63 PolarHBondContact O-N 2.86Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CD2-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 4.46Å; F60-I64 HydrophobicContact CE1-CG1 4.1Å; F60-I64 HydrophobicContact CE2-CD1 4Å; F60-I64 HydrophobicContact CE2-CG1 4.1Å; F60-I64 HydrophobicContact CZ-CD1 3.82Å; F60-I64 HydrophobicContact CZ-CG1 3.91Å; F60-I64 WeakPolarHBondContact O-CG1 3.36Å; F60-I64 PolarHBondContact O-N 3.22Å; F60-F78 HydrophobicContact CB-CE2 4.24Å; F60-F78 HydrophobicContact CD1-CD2 4.15Å; F60-F78 AromaticContact CD1-CE2 3.34Å; F60-F78 HydrophobicContact CD1-CE2 3.34Å; F60-F78 AromaticContact CD1-CZ 3.88Å; F60-F78 HydrophobicContact CD1-CZ 3.88Å; F60-F78 AromaticContact CE1-CE2 4Å; F60-F78 HydrophobicContact CE1-CE2 4Å; F60-F78 HydrophobicContact CE1-CZ 4.2Å; F60-F78 HydrophobicContact CG-CE2 4.11Å; F60-M91 HydrophobicContact CB-SD 4.07Å; F60-M91 HydrophobicContact CD1-CE 3.82Å; F60-M91 HydrophobicContact CD1-SD 4.07Å; F60-M91 HydrophobicContact CE1-CE 4.08Å; F60-M91 HydrophobicContact CG-CE 4.22Å; F60-M91 HydrophobicContact CG-SD 4.15Å
61Y94.2Very high94.5Very high36 Ų3664.5 Ų64.514%0.14131%0.307CS..Hα-helixtrans-52.6-48.1169.9-90.3-77.9000111.5V57 G58 L63 I64 R65 L76 F78 T87V57-Y61 HydrophobicContact CG1-CD2 3.9Å; V57-Y61 HydrophobicContact CG1-CE2 3.72Å; V57-Y61 VanDerWaalsContact O-CD2 3.26Å; V57-Y61 WeakPolarHBondContact O-CD2 3.21Å; V57-Y61 PolarHBondContact O-N 2.95Å; G58-Y61 WeakPolarHBondContact O-CB 3.36Å; G58-Y61 PolarHBondContact O-N 3.2Å; Y61-L63 PolarHBondContact O-N 3.38Å; Y61-I64 PolarHBondContact O-N 3.37Å; Y61-R65 VanDerWaalsContact O-CB 3.27Å; Y61-R65 WeakPolarHBondContact O-CB 3.49Å; Y61-R65 PolarHBondContact O-N 2.71Å; Y61-L76 HydrophobicContact CD1-CB 4.42Å; Y61-L76 HydrophobicContact CD1-CD2 4.17Å; Y61-L76 HydrophobicContact CD1-CG 4.18Å; Y61-L76 HydrophobicContact CE1-CG 4.33Å; Y61-L76 VanDerWaalsContact CE1-O 3.23Å; Y61-L76 WeakPolarHBondContact CE1-O 3.43Å; Y61-F78 HydrophobicContact CD1-CD1 4.09Å; Y61-F78 HydrophobicContact CD1-CD2 4.02Å; Y61-F78 AromaticContact CD1-CE1 3.93Å; Y61-F78 HydrophobicContact CD1-CE1 3.93Å; Y61-F78 AromaticContact CD1-CE2 3.88Å; Y61-F78 HydrophobicContact CD1-CE2 3.88Å; Y61-F78 HydrophobicContact CD1-CG 4.13Å; Y61-F78 AromaticContact CD1-CZ 3.87Å; Y61-F78 HydrophobicContact CD1-CZ 3.87Å; Y61-F78 AromaticContact CD2-CD2 3.76Å; Y61-F78 HydrophobicContact CD2-CD2 3.76Å; Y61-F78 AromaticContact CD2-CE2 3.82Å; Y61-F78 HydrophobicContact CD2-CE2 3.82Å; Y61-F78 HydrophobicContact CD2-CG 4.47Å; Y61-F78 HydrophobicContact CE1-CB 4.05Å; Y61-F78 AromaticContact CE1-CD1 3.73Å; Y61-F78 HydrophobicContact CE1-CD1 3.73Å; Y61-F78 AromaticContact CE1-CD2 3.86Å; Y61-F78 HydrophobicContact CE1-CD2 3.86Å; Y61-F78 HydrophobicContact CE1-CE1 4.06Å; Y61-F78 HydrophobicContact CE1-CE2 4.2Å; Y61-F78 AromaticContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CZ 4.32Å; Y61-F78 HydrophobicContact CE2-CB 4.18Å; Y61-F78 AromaticContact CE2-CD2 3.61Å; Y61-F78 HydrophobicContact CE2-CD2 3.61Å; Y61-F78 HydrophobicContact CE2-CE2 4.16Å; Y61-F78 HydrophobicContact CE2-CG 4.02Å; Y61-F78 AromaticContact CG-CD2 3.98Å; Y61-F78 HydrophobicContact CG-CD2 3.98Å; Y61-F78 AromaticContact CG-CE2 3.69Å; Y61-F78 HydrophobicContact CG-CE2 3.69Å; Y61-F78 HydrophobicContact CG-CZ 4.02Å; Y61-F78 AromaticContact CZ-CD2 3.68Å; Y61-F78 AromaticContact CZ-CG 3.59Å; Y61-F78 WeakPolarHBondContact OH-CB 3.33Å; Y61-F78 PolarHBondContact OH-N 2.79Å; Y61-T87 HydrophobicContact CD2-CG2 4.41Å; Y61-T87 HydrophobicContact CE2-CG2 4.2Å
62F94.1Very high94.2Very high140 Ų14069.5 Ų69.561%0.61434%0.34SS*.Hα-helixtrans-61.8-43179.3-178.6-97.9000112.4G58 Q59 F60 R65 K66G58-F62 PolarHBondContact O-N 2.86Å; Q59-F62 WeakPolarHBondContact O-CB 3.46Å; Q59-F62 PolarHBondContact O-N 2.89Å; F60-F62 VanDerWaalsContact C-N 3.29Å; F60-F62 PolarHBondContact O-N 3.35Å; F62-R65 PolarHBondContact O-N 2.84Å; F62-K66 WeakPolarHBondContact O-CB 3.33Å; F62-K66 PolarHBondContact O-N 2.8Å
63L94.5Very high94Very high82 Ų8273.3 Ų73.343%0.42935%0.354SS..Hα-helixtrans-62.1-45.7177.9-69.3177.7000112.2L55 Q59 F60 Y61 K66 R67L55-L63 HydrophobicContact CD1-CD1 3.88Å; Q59-L63 WeakPolarHBondContact O-CG 3.4Å; Q59-L63 PolarHBondContact O-N 3.35Å; F60-L63 HydrophobicContact CD2-CD1 4.47Å; F60-L63 PolarHBondContact O-N 2.86Å; Y61-L63 PolarHBondContact O-N 3.38Å; L63-K66 PolarHBondContact O-N 3.42Å; L63-R67 PolarHBondContact O-N 3.1Å; L63-R67 VanDerWaalsContact O-N 3.09Å
64I94.1Very high93.8Very high0 Ų073.9 Ų73.90%035%0.353CS..Hα-helixtrans-68.4-43.7179.3-60.5-61.3000110.4V33 L44 Y49 F60 Y61 K66 R67 I68 L76 F78 L146V33-I64 HydrophobicContact CG2-CD1 4.35Å; L44-I64 HydrophobicContact CD2-CD1 4.32Å; L44-I64 HydrophobicContact CD2-CG2 4.1Å; Y49-I64 HydrophobicContact CD1-CD1 4.33Å; Y49-I64 HydrophobicContact CE1-CD1 3.78Å; Y49-I64 HydrophobicContact CE2-CD1 4.02Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CD2-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 4.46Å; F60-I64 HydrophobicContact CE1-CG1 4.1Å; F60-I64 HydrophobicContact CE2-CD1 4Å; F60-I64 HydrophobicContact CE2-CG1 4.1Å; F60-I64 HydrophobicContact CZ-CD1 3.82Å; F60-I64 HydrophobicContact CZ-CG1 3.91Å; F60-I64 WeakPolarHBondContact O-CG1 3.36Å; F60-I64 PolarHBondContact O-N 3.22Å; Y61-I64 PolarHBondContact O-N 3.37Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 3.28Å; I64-R67 WeakPolarHBondContact O-CA 3.27Å; I64-R67 WeakPolarHBondContact O-CB 3.26Å; I64-R67 PolarHBondContact O-N 3.19Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 2.72Å; I64-L76 HydrophobicContact CB-CD2 4.47Å; I64-L76 HydrophobicContact CG2-CD2 4.26Å; I64-F78 HydrophobicContact CB-CE1 4.25Å; I64-F78 HydrophobicContact CB-CZ 3.91Å; I64-F78 HydrophobicContact CG1-CE1 4.3Å; I64-F78 HydrophobicContact CG1-CZ 3.72Å; I64-F78 HydrophobicContact CG2-CE1 4.35Å; I64-F78 HydrophobicContact CG2-CZ 4.49Å; I64-L146 HydrophobicContact CG2-CD1 4Å; I64-L146 HydrophobicContact CG2-CD2 3.86Å
65R94Very high93.7Very high77 Ų7771.4 Ų71.429%0.29135%0.35SS..Hα-helixtrans-52.7-45.9175.5-166.1-175.4-164.3143.615.4112Y61 F62 R67 H69 L70 R71 P72 D74 L76Y61-R65 VanDerWaalsContact O-CB 3.27Å; Y61-R65 WeakPolarHBondContact O-CB 3.49Å; Y61-R65 PolarHBondContact O-N 2.71Å; F62-R65 PolarHBondContact O-N 2.84Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R65-H69 PolarHBondContact O-N 2.83Å; R65-L70 HydrophobicContact CG-CB 3.87Å; R65-L70 HydrophobicContact CG-CD2 4.31Å; R65-L70 PolarHBondContact O-N 3.26Å; R65-L70 VanDerWaalsContact O-N 3.07Å; R65-R71 PolarHBondContact NH2-O 2.96Å; R65-P72 PolarHBondContact NH2-O 3.34Å; R65-D74 PolarHBondContact NH2-O 3.24Å; R65-L76 HydrophobicContact CB-CD2 4.39Å
66K93.8Very high93.4Very high148 Ų14871.2 Ų71.264%0.64335%0.349SS*.Hα-helixtrans-64.3-37.5176.8-171.7176-178.1177.40112.2F62 L63 I64 H69F62-K66 WeakPolarHBondContact O-CB 3.33Å; F62-K66 PolarHBondContact O-N 2.8Å; L63-K66 PolarHBondContact O-N 3.42Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 3.28Å; K66-H69 PolarHBondContact O-N 2.7Å
67R93.6Very high93.2Very high136 Ų13674.3 Ų74.351%0.51336%0.359SS..Hα-helixtrans-66.9-41.4179.2-87.1-77.4175.7-175.4-9.9113.3D45 L63 I64 R65 H69D45-R67 IonicContact OD2-CZ 3.91Å; D45-R67 IonicContact OD2-NH1 2.85Å; D45-R67 PolarHBondContact OD2-NH1 2.71Å; L63-R67 PolarHBondContact O-N 3.1Å; L63-R67 VanDerWaalsContact O-N 3.09Å; I64-R67 WeakPolarHBondContact O-CA 3.27Å; I64-R67 WeakPolarHBondContact O-CB 3.26Å; I64-R67 PolarHBondContact O-N 3.19Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R67-H69 VanDerWaalsContact C-N 3.28Å
68I93.8Very high93Very high8 Ų874.4 Ų74.44%0.04136%0.359CS..THydrogen-bonded Turntrans-88.95.617962.7167.7000112.8V41 P42 L44 I64 L70 L76 L146V41-I68 HydrophobicContact CB-CD1 4.39Å; P42-I68 HydrophobicContact CB-CB 4.22Å; P42-I68 WeakPolarHBondContact CG-O 3.18Å; L44-I68 HydrophobicContact CG-CG2 3.91Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 2.72Å; I68-L70 HydrophobicContact CD1-CB 3.75Å; I68-L70 HydrophobicContact CD1-CD1 4.45Å; I68-L70 HydrophobicContact CD1-CD2 4.2Å; I68-L70 HydrophobicContact CD1-CG 4.37Å; I68-L70 HydrophobicContact CG1-CB 3.76Å; I68-L70 PolarHBondContact O-N 3.49Å; I68-L70 VanDerWaalsContact O-N 3.16Å; I68-L76 HydrophobicContact CD1-CD1 4.29Å; I68-L146 HydrophobicContact CD1-CD1 4.33Å
69H92.9Very high92.7Very high166 Ų16676.4 Ų76.477%0.76936%0.36SS*.THydrogen-bonded Turntrans50.337.6-176.5-60.2-77.3000113.5R65 K66 R67 R71R65-H69 PolarHBondContact O-N 2.83Å; K66-H69 PolarHBondContact O-N 2.7Å; R67-H69 VanDerWaalsContact C-N 3.28Å; H69-R71 PolarHBondContact O-N 3.4Å
70L92.9Very high92.2Very high17 Ų1772.3 Ų72.39%0.08934%0.342CS..  trans-73.9130.5-177-174.174.5000110.4R65 I68 D74 L76R65-L70 HydrophobicContact CG-CB 3.87Å; R65-L70 HydrophobicContact CG-CD2 4.31Å; R65-L70 PolarHBondContact O-N 3.26Å; R65-L70 VanDerWaalsContact O-N 3.07Å; I68-L70 HydrophobicContact CD1-CB 3.75Å; I68-L70 HydrophobicContact CD1-CD1 4.45Å; I68-L70 HydrophobicContact CD1-CD2 4.2Å; I68-L70 HydrophobicContact CD1-CG 4.37Å; I68-L70 HydrophobicContact CG1-CB 3.76Å; I68-L70 PolarHBondContact O-N 3.49Å; I68-L70 VanDerWaalsContact O-N 3.16Å; L70-D74 HydrophobicContact CD1-CB 3.57Å; L70-D74 HydrophobicContact CD2-CB 4.2Å; L70-D74 HydrophobicContact CG-CB 3.78Å; L70-L76 HydrophobicContact CD2-CB 3.79Å; L70-L76 HydrophobicContact CD2-CD1 4.4Å; L70-L76 HydrophobicContact CD2-CG 4.48Å
71R91.5Very high91.5Very high136 Ų13676.4 Ų76.451%0.51336%0.364SS..  trans-64.8150.4-175.9-53.1177.5-64.2158.4-5111.4R65 H69 E73 D74R65-R71 PolarHBondContact NH2-O 2.96Å; H69-R71 PolarHBondContact O-N 3.4Å; R71-E73 HydrophobicContact CB-CG 4.1Å; R71-E73 WeakPolarHBondContact CB-OE1 3.13Å; R71-E73 WeakPolarHBondContact CB-OE2 3.02Å; R71-E73 VanDerWaalsContact CD-OE1 3.24Å; R71-E73 WeakPolarHBondContact CD-OE1 3.23Å; R71-E73 IonicContact CZ-OE1 3.27Å; R71-E73 VanDerWaalsContact CZ-OE1 3.27Å; R71-E73 IonicContact NE-OE1 3.35Å; R71-E73 PolarHBondContact NE-OE1 2.87Å; R71-E73 IonicContact NH1-OE1 2.88Å; R71-E73 PolarHBondContact NH1-OE1 3.17Å; R71-E73 PolarHBondContact O-N 3.27Å; R71-D74 IonicContact CZ-OD1 3.7Å; R71-D74 IonicContact CZ-OD2 3.4Å; R71-D74 IonicContact NE-OD1 3.87Å; R71-D74 IonicContact NE-OD2 2.81Å; R71-D74 PolarHBondContact NE-OD2 3.06Å; R71-D74 IonicContact NH2-OD1 2.87Å; R71-D74 PolarHBondContact NH2-OD1 3.44Å; R71-D74 IonicContact NH2-OD2 3.17Å; R71-D74 PolarHBondContact NH2-OD2 3.42Å; R71-D74 VanDerWaalsContact NH2-OD2 3.17Å; R71-D74 PolarHBondContact O-N 2.87Å; R71-D74 VanDerWaalsContact O-N 3.1Å
72P89.1Confident90.8Very high112 Ų11280.2 Ų80.273%0.72739%0.387SS*.THydrogen-bonded Turntrans-55.4-29.5179.9-27.636.4000115.2R65R65-P72 PolarHBondContact NH2-O 3.34Å
73E92.1Very high90.3Very high125 Ų12578 Ų7858%0.58439%0.385SS*.THydrogen-bonded Turntrans-77.2-23.8178.759.5-91.5-151.300114.2R71R71-E73 HydrophobicContact CB-CG 4.1Å; R71-E73 WeakPolarHBondContact CB-OE1 3.13Å; R71-E73 WeakPolarHBondContact CB-OE2 3.02Å; R71-E73 VanDerWaalsContact CD-OE1 3.24Å; R71-E73 WeakPolarHBondContact CD-OE1 3.23Å; R71-E73 IonicContact CZ-OE1 3.27Å; R71-E73 VanDerWaalsContact CZ-OE1 3.27Å; R71-E73 IonicContact NE-OE1 3.35Å; R71-E73 PolarHBondContact NE-OE1 2.87Å; R71-E73 IonicContact NH1-OE1 2.88Å; R71-E73 PolarHBondContact NH1-OE1 3.17Å; R71-E73 PolarHBondContact O-N 3.27Å
74D91.3Very high90Very high53 Ų5378.2 Ų78.228%0.28339%0.386SS..SBendtrans-85.4133.9-176.5-62.9-39.9000110.8R65 L70 R71R65-D74 PolarHBondContact NH2-O 3.24Å; L70-D74 HydrophobicContact CD1-CB 3.57Å; L70-D74 HydrophobicContact CD2-CB 4.2Å; L70-D74 HydrophobicContact CG-CB 3.78Å; R71-D74 IonicContact CZ-OD1 3.7Å; R71-D74 IonicContact CZ-OD2 3.4Å; R71-D74 IonicContact NE-OD1 3.87Å; R71-D74 IonicContact NE-OD2 2.81Å; R71-D74 PolarHBondContact NE-OD2 3.06Å; R71-D74 IonicContact NH2-OD1 2.87Å; R71-D74 PolarHBondContact NH2-OD1 3.44Å; R71-D74 IonicContact NH2-OD2 3.17Å; R71-D74 PolarHBondContact NH2-OD2 3.42Å; R71-D74 VanDerWaalsContact NH2-OD2 3.17Å; R71-D74 PolarHBondContact O-N 2.87Å; R71-D74 VanDerWaalsContact O-N 3.1Å
75A90.3Very high89.8Confident68 Ų6878.7 Ų78.756%0.56239%0.389SS*.  trans-80.2143.6178.900000112F77A75-F77 HydrophobicContact CB-CD2 4.42Å; A75-F77 HydrophobicContact CB-CE2 3.6Å; A75-F77 HydrophobicContact CB-CZ 4.01Å
76L91.7Very high89.8Confident20 Ų2078.6 Ų78.611%0.10540%0.398CS..  trans-125.9132.3173.1-174.362.2000108.4V41 Y61 I64 R65 I68 L70 F78 L146V41-L76 HydrophobicContact CG1-CD1 4.42Å; Y61-L76 HydrophobicContact CD1-CB 4.42Å; Y61-L76 HydrophobicContact CD1-CD2 4.17Å; Y61-L76 HydrophobicContact CD1-CG 4.18Å; Y61-L76 HydrophobicContact CE1-CG 4.33Å; Y61-L76 VanDerWaalsContact CE1-O 3.23Å; Y61-L76 WeakPolarHBondContact CE1-O 3.43Å; I64-L76 HydrophobicContact CB-CD2 4.47Å; I64-L76 HydrophobicContact CG2-CD2 4.26Å; R65-L76 HydrophobicContact CB-CD2 4.39Å; I68-L76 HydrophobicContact CD1-CD1 4.29Å; L70-L76 HydrophobicContact CD2-CB 3.79Å; L70-L76 HydrophobicContact CD2-CD1 4.4Å; L70-L76 HydrophobicContact CD2-CG 4.48Å; L76-F78 HydrophobicContact CD2-CE1 4Å; L76-F78 HydrophobicContact CG-CE1 4.23Å; L76-L146 HydrophobicContact CD1-CB 4.1Å; L76-L146 HydrophobicContact CD1-CD1 4.2Å; L76-L146 HydrophobicContact CD1-CD2 3.72Å; L76-L146 HydrophobicContact CD1-CG 4.24Å; L76-L146 HydrophobicContact CD2-CD2 4.35Å; L76-L146 HydrophobicContact CG-CD2 4.27Å
77F91.7Very high89.8Confident105 Ų10575.6 Ų75.646%0.46139%0.392SS..  trans-127.5134.3177.4-61.9-78.5000110A75 F79 I84 L146A75-F77 HydrophobicContact CB-CD2 4.42Å; A75-F77 HydrophobicContact CB-CE2 3.6Å; A75-F77 HydrophobicContact CB-CZ 4.01Å; F77-F79 HydrophobicContact CB-CE2 3.74Å; F77-F79 HydrophobicContact CB-CZ 4.12Å; F77-I84 HydrophobicContact CD1-CD1 4.2Å; F77-L146 CarbonylContact O-C 3.55Å; F77-L146 WeakPolarHBondContact O-CA 3.5Å; F77-L146 VanDerWaalsContact O-OXT 3.11Å
78F90.8Very high89.8Confident2 Ų273.8 Ų73.81%0.00940%0.401CS..  trans-96.3137.2171.4-72-9000109.4V57 F60 Y61 I64 L76 P85 V144 R145 L146V57-F78 HydrophobicContact CG1-CD2 4.37Å; F60-F78 HydrophobicContact CB-CE2 4.24Å; F60-F78 HydrophobicContact CD1-CD2 4.15Å; F60-F78 AromaticContact CD1-CE2 3.34Å; F60-F78 HydrophobicContact CD1-CE2 3.34Å; F60-F78 AromaticContact CD1-CZ 3.88Å; F60-F78 HydrophobicContact CD1-CZ 3.88Å; F60-F78 AromaticContact CE1-CE2 4Å; F60-F78 HydrophobicContact CE1-CE2 4Å; F60-F78 HydrophobicContact CE1-CZ 4.2Å; F60-F78 HydrophobicContact CG-CE2 4.11Å; Y61-F78 HydrophobicContact CD1-CD1 4.09Å; Y61-F78 HydrophobicContact CD1-CD2 4.02Å; Y61-F78 AromaticContact CD1-CE1 3.93Å; Y61-F78 HydrophobicContact CD1-CE1 3.93Å; Y61-F78 AromaticContact CD1-CE2 3.88Å; Y61-F78 HydrophobicContact CD1-CE2 3.88Å; Y61-F78 HydrophobicContact CD1-CG 4.13Å; Y61-F78 AromaticContact CD1-CZ 3.87Å; Y61-F78 HydrophobicContact CD1-CZ 3.87Å; Y61-F78 AromaticContact CD2-CD2 3.76Å; Y61-F78 HydrophobicContact CD2-CD2 3.76Å; Y61-F78 AromaticContact CD2-CE2 3.82Å; Y61-F78 HydrophobicContact CD2-CE2 3.82Å; Y61-F78 HydrophobicContact CD2-CG 4.47Å; Y61-F78 HydrophobicContact CE1-CB 4.05Å; Y61-F78 AromaticContact CE1-CD1 3.73Å; Y61-F78 HydrophobicContact CE1-CD1 3.73Å; Y61-F78 AromaticContact CE1-CD2 3.86Å; Y61-F78 HydrophobicContact CE1-CD2 3.86Å; Y61-F78 HydrophobicContact CE1-CE1 4.06Å; Y61-F78 HydrophobicContact CE1-CE2 4.2Å; Y61-F78 AromaticContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CZ 4.32Å; Y61-F78 HydrophobicContact CE2-CB 4.18Å; Y61-F78 AromaticContact CE2-CD2 3.61Å; Y61-F78 HydrophobicContact CE2-CD2 3.61Å; Y61-F78 HydrophobicContact CE2-CE2 4.16Å; Y61-F78 HydrophobicContact CE2-CG 4.02Å; Y61-F78 AromaticContact CG-CD2 3.98Å; Y61-F78 HydrophobicContact CG-CD2 3.98Å; Y61-F78 AromaticContact CG-CE2 3.69Å; Y61-F78 HydrophobicContact CG-CE2 3.69Å; Y61-F78 HydrophobicContact CG-CZ 4.02Å; Y61-F78 AromaticContact CZ-CD2 3.68Å; Y61-F78 AromaticContact CZ-CG 3.59Å; Y61-F78 WeakPolarHBondContact OH-CB 3.33Å; Y61-F78 PolarHBondContact OH-N 2.79Å; I64-F78 HydrophobicContact CB-CE1 4.25Å; I64-F78 HydrophobicContact CB-CZ 3.91Å; I64-F78 HydrophobicContact CG1-CE1 4.3Å; I64-F78 HydrophobicContact CG1-CZ 3.72Å; I64-F78 HydrophobicContact CG2-CE1 4.35Å; I64-F78 HydrophobicContact CG2-CZ 4.49Å; L76-F78 HydrophobicContact CD2-CE1 4Å; L76-F78 HydrophobicContact CG-CE1 4.23Å; F78-P85 HydrophobicContact CB-CG 4.21Å; F78-P85 VanDerWaalsContact O-CD 3.24Å; F78-P85 WeakPolarHBondContact O-CD 3.22Å; F78-V144 HydrophobicContact CB-CG1 3.52Å; F78-V144 HydrophobicContact CD1-CG1 3.7Å; F78-V144 HydrophobicContact CD2-CG1 3.77Å; F78-V144 HydrophobicContact CE1-CG1 4.38Å; F78-V144 HydrophobicContact CE2-CG1 4.43Å; F78-V144 HydrophobicContact CG-CG1 3.36Å; F78-R145 CarbonylContact C-O 3.56Å; F78-R145 VanDerWaalsContact CA-O 3.29Å; F78-R145 WeakPolarHBondContact CA-O 3.23Å; F78-L146 HydrophobicContact CD1-CD2 3.45Å; F78-L146 VanDerWaalsContact CD1-CD2 3.45Å; F78-L146 HydrophobicContact CE1-CD2 3.15Å; F78-L146 HydrophobicContact CZ-CD2 4.34Å
79F88.1Confident89.8Confident70 Ų7074 Ų7431%0.30740%0.404SS..BIsolated β-bridgetrans-119.6126.2172.1-64.6-87.9000110F77 I84 R145F77-F79 HydrophobicContact CB-CE2 3.74Å; F77-F79 HydrophobicContact CB-CZ 4.12Å; F79-I84 HydrophobicContact CD1-CG1 4.28Å; F79-I84 HydrophobicContact CE1-CD1 4.46Å; F79-I84 HydrophobicContact CE1-CG1 3.93Å; F79-I84 HydrophobicContact CZ-CG1 4.46Å; F79-R145 HydrophobicContact CB-CB 4.45Å; F79-R145 PolarHBondContact N-O 2.8Å; F79-R145 PolarHBondContact O-N 3.43Å
80V84.9Confident90Very high15 Ų1567.8 Ų67.89%0.09138%0.377CS..BIsolated β-bridgetrans-123.5116.5173.4-1790000106.6N82 T83 P85 M98 V144V80-N82 VanDerWaalsContact C-N 3.26Å; V80-N82 PolarHBondContact O-N 2.75Å; V80-T83 PolarHBondContact N-O 3.18Å; V80-T83 PolarHBondContact O-N 2.93Å; V80-T83 VanDerWaalsContact O-O 3.1Å; V80-P85 HydrophobicContact CG2-CB 4.4Å; V80-P85 HydrophobicContact CG2-CG 3.97Å; V80-M98 HydrophobicContact CG1-CE 3.27Å; V80-M98 HydrophobicContact CG1-CG 4.29Å; V80-M98 HydrophobicContact CG1-SD 3.5Å; V80-M98 WeakPolarHBondContact CG1-SD 3.23Å; V80-V144 HydrophobicContact CG2-CG2 3.85Å
81N81.4Confident90Very high89 Ų8967.3 Ų67.348%0.47638%0.375SS..THydrogen-bonded Turntrans49.646.3-172.1-63.1-23.7000112.9T83N81-T83 PolarHBondContact O-N 2.95Å; N81-T83 VanDerWaalsContact O-N 3.08Å; N81-T83 PolarHBondContact O-OG1 2.72Å
82N80.9Confident90Very high116 Ų11661.2 Ų61.262%0.6235%0.354SS*.THydrogen-bonded Turntrans60.810.2-177.1-54.5-26.2000115.7M1 V80M1-N82 PolarHBondContact SD-OD1 2.87Å; M1-N82 VanDerWaalsContact SD-OD1 3.36Å; V80-N82 VanDerWaalsContact C-N 3.26Å; V80-N82 PolarHBondContact O-N 2.75Å
83T83.3Confident90Very high94 Ų9460.7 Ų60.758%0.57734%0.342SS*.BIsolated β-bridgetrans-115145.8178.1-55.10000109.8V80 N81 P85V80-T83 PolarHBondContact N-O 3.18Å; V80-T83 PolarHBondContact O-N 2.93Å; V80-T83 VanDerWaalsContact O-O 3.1Å; N81-T83 PolarHBondContact O-N 2.95Å; N81-T83 VanDerWaalsContact O-N 3.08Å; N81-T83 PolarHBondContact O-OG1 2.72Å; T83-P85 WeakPolarHBondContact O-CD 3.24Å
84I87.9Confident89.9Confident86 Ų8656.1 Ų56.144%0.44132%0.321SS..PPolyproline II helixtrans-76.7117.9173.4-61.9174.6000107.8F77 F79F77-I84 HydrophobicContact CD1-CD1 4.2Å; F79-I84 HydrophobicContact CD1-CG1 4.28Å; F79-I84 HydrophobicContact CE1-CD1 4.46Å; F79-I84 HydrophobicContact CE1-CG1 3.93Å; F79-I84 HydrophobicContact CZ-CG1 4.46Å
85P90.5Very high89.7Confident9 Ų955.3 Ų55.36%0.05832%0.315CS..PPolyproline II helixtrans-68.1144.8177.627.7-32.6000110.7V57 F78 V80 T83 T87 L94V57-P85 HydrophobicContact CG1-CB 4.27Å; V57-P85 HydrophobicContact CG1-CG 3.87Å; V57-P85 HydrophobicContact CG2-CB 4.39Å; F78-P85 HydrophobicContact CB-CG 4.21Å; F78-P85 VanDerWaalsContact O-CD 3.24Å; F78-P85 WeakPolarHBondContact O-CD 3.22Å; V80-P85 HydrophobicContact CG2-CB 4.4Å; V80-P85 HydrophobicContact CG2-CG 3.97Å; T83-P85 WeakPolarHBondContact O-CD 3.24Å; P85-T87 PolarHBondContact O-N 3.21Å; P85-L94 HydrophobicContact CB-CD1 3.76Å; P85-L94 HydrophobicContact CB-CD2 3.81Å; P85-L94 HydrophobicContact CB-CG 4.43Å; P85-L94 HydrophobicContact CG-CD1 4.36Å
86P92.9Very high89.5Confident76 Ų7657.8 Ų57.849%0.49431%0.314SS..PPolyproline II helixtrans-62.8132.1175.623.9-31.3000110.8V57 S88 A89V57-P86 WeakPolarHBondContact CB-O 3.44Å; P86-S88 PolarHBondContact O-N 3.29Å; P86-A89 HydrophobicContact CG-CB 3.79Å; P86-A89 PolarHBondContact O-N 3.25Å; P86-A89 VanDerWaalsContact O-N 3.17Å
87T93.2Very high89Confident84 Ų8461.5 Ų61.552%0.51534%0.338SS..THydrogen-bonded Turntrans-65.7-25.4-17649.40000113.6G58 Y61 P85G58-T87 PolarHBondContact N-O 2.95Å; Y61-T87 HydrophobicContact CD2-CG2 4.41Å; Y61-T87 HydrophobicContact CE2-CG2 4.2Å; P85-T87 PolarHBondContact O-N 3.21Å
88S95.1Very high88.2Confident99 Ų9957.4 Ų57.469%0.69232%0.32SS*.THydrogen-bonded Turntrans-79.1-19.2177.354.80000113.9P86P86-S88 PolarHBondContact O-N 3.29Å
89A94.3Very high87.3Confident13 Ų1358.8 Ų58.811%0.10733%0.329CS..SBendtrans-69.9152.5177.800000111.2T56 V57 P86T56-A89 CarbonylContact C-O 3.56Å; T56-A89 WeakPolarHBondContact CA-O 3.37Å; V57-A89 HydrophobicContact CG2-CB 4.49Å; V57-A89 WeakPolarHBondContact CG2-O 3.26Å; V57-A89 PolarHBondContact N-O 3.32Å; P86-A89 HydrophobicContact CG-CB 3.79Å; P86-A89 PolarHBondContact O-N 3.25Å; P86-A89 VanDerWaalsContact O-N 3.17Å
90T95.3Very high86.1Confident34 Ų3459.4 Ų59.421%0.20934%0.335CS..BIsolated β-bridgetrans-86155.3173.774.50000111.4S53 L55 G92 Q93 L94S53-T90 VanDerWaalsContact O-CB 3.27Å; S53-T90 WeakPolarHBondContact O-CB 3.36Å; S53-T90 PolarHBondContact O-OG1 3.47Å; L55-T90 CarbonylContact O-C 3.5Å; L55-T90 WeakPolarHBondContact O-CA 3.35Å; T90-G92 PolarHBondContact O-N 3.09Å; T90-Q93 PolarHBondContact O-N 2.94Å; T90-Q93 VanDerWaalsContact OG1-CG 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.34Å; T90-Q93 PolarHBondContact OG1-N 2.83Å; T90-Q93 VanDerWaalsContact OG1-N 3.13Å; T90-L94 PolarHBondContact O-N 3.47Å
91M93.7Very high85.1Confident7 Ų761 Ų613%0.03435%0.35CS..Hα-helixtrans-62.5-30.8175.8-66-57.8-68.500111.6V31 V51 L55 V57 F60 L94 Y95V31-M91 HydrophobicContact CG1-CE 4.24Å; V31-M91 HydrophobicContact CG2-CE 3.63Å; V51-M91 HydrophobicContact CG1-CB 4.44Å; V51-M91 HydrophobicContact CG1-CG 3.95Å; L55-M91 HydrophobicContact CD2-CG 4.02Å; L55-M91 WeakPolarHBondContact O-CG 3.29Å; L55-M91 PolarHBondContact O-N 2.85Å; V57-M91 HydrophobicContact CG2-SD 4.05Å; F60-M91 HydrophobicContact CB-SD 4.07Å; F60-M91 HydrophobicContact CD1-CE 3.82Å; F60-M91 HydrophobicContact CD1-SD 4.07Å; F60-M91 HydrophobicContact CE1-CE 4.08Å; F60-M91 HydrophobicContact CG-CE 4.22Å; F60-M91 HydrophobicContact CG-SD 4.15Å; M91-L94 HydrophobicContact SD-CD1 4.3Å; M91-Y95 VanDerWaalsContact O-CB 3.31Å; M91-Y95 WeakPolarHBondContact O-CB 3.15Å; M91-Y95 PolarHBondContact O-N 3.23Å
92G91.3Very high84Confident8 Ų857 Ų578%0.08233%0.33CS..Hα-helixtrans-63.1-50.1171.200000112.4S53 T90 L94 Y95 E96S53-G92 WeakPolarHBondContact O-CA 3.29Å; S53-G92 PolarHBondContact O-N 3.37Å; T90-G92 PolarHBondContact O-N 3.09Å; G92-L94 VanDerWaalsContact C-N 3.34Å; G92-L94 PolarHBondContact O-N 2.82Å; G92-Y95 WeakPolarHBondContact O-CB 3.13Å; G92-Y95 PolarHBondContact O-N 3.14Å; G92-Y95 VanDerWaalsContact O-N 3.13Å; G92-E96 WeakPolarHBondContact O-CG 3.17Å; G92-E96 PolarHBondContact O-N 3.23Å
93Q89.6Confident82.7Confident102 Ų10258.3 Ų58.348%0.47733%0.332SS..Hα-helixtrans-59.1-44.9177.1-74.5170.2-24.400111.7T90 Y95 E96 V97T90-Q93 PolarHBondContact O-N 2.94Å; T90-Q93 VanDerWaalsContact OG1-CG 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.34Å; T90-Q93 PolarHBondContact OG1-N 2.83Å; T90-Q93 VanDerWaalsContact OG1-N 3.13Å; Q93-Y95 VanDerWaalsContact C-N 3.32Å; Q93-Y95 PolarHBondContact O-N 2.98Å; Q93-E96 PolarHBondContact O-N 3.17Å; Q93-V97 WeakPolarHBondContact O-CG2 3.05Å; Q93-V97 PolarHBondContact O-N 3.44Å
94L88.8Confident81.3Confident28 Ų2863.2 Ų63.215%0.14734%0.341CS..Hα-helixtrans-59.2-45.2175-76.8-172.2000111.8V57 P85 T90 M91 G92 V97 M98V57-L94 HydrophobicContact CG2-CD1 3.28Å; V57-L94 HydrophobicContact CG2-CG 3.98Å; P85-L94 HydrophobicContact CB-CD1 3.76Å; P85-L94 HydrophobicContact CB-CD2 3.81Å; P85-L94 HydrophobicContact CB-CG 4.43Å; P85-L94 HydrophobicContact CG-CD1 4.36Å; T90-L94 PolarHBondContact O-N 3.47Å; M91-L94 HydrophobicContact SD-CD1 4.3Å; G92-L94 VanDerWaalsContact C-N 3.34Å; G92-L94 PolarHBondContact O-N 2.82Å; L94-V97 PolarHBondContact O-N 2.93Å; L94-M98 VanDerWaalsContact O-CG 3.23Å; L94-M98 WeakPolarHBondContact O-CG 3.24Å; L94-M98 PolarHBondContact O-N 3.11Å; L94-M98 VanDerWaalsContact O-N 3.09Å
95Y88.2Confident79.7Confident37 Ų3768.2 Ų68.215%0.14536%0.355CS..Hα-helixtrans-63.1-44.6-179.6-177.3-100.3000112.3V29 P30 M91 G92 Q93 M98 V99V29-Y95 HydrophobicContact CG1-CD2 3.51Å; V29-Y95 HydrophobicContact CG1-CE2 4.31Å; V29-Y95 HydrophobicContact CG1-CG 3.67Å; V29-Y95 HydrophobicContact CG2-CG 4.3Å; P30-Y95 HydrophobicContact CG-CE2 4.48Å; M91-Y95 VanDerWaalsContact O-CB 3.31Å; M91-Y95 WeakPolarHBondContact O-CB 3.15Å; M91-Y95 PolarHBondContact O-N 3.23Å; G92-Y95 WeakPolarHBondContact O-CB 3.13Å; G92-Y95 PolarHBondContact O-N 3.14Å; G92-Y95 VanDerWaalsContact O-N 3.13Å; Q93-Y95 VanDerWaalsContact C-N 3.32Å; Q93-Y95 PolarHBondContact O-N 2.98Å; Y95-M98 PolarHBondContact O-N 3Å; Y95-V99 HydrophobicContact CD1-CG2 4.13Å; Y95-V99 HydrophobicContact CE1-CG2 3.72Å; Y95-V99 HydrophobicContact CE2-CG2 4.19Å; Y95-V99 WeakPolarHBondContact O-CG2 3.14Å; Y95-V99 PolarHBondContact O-N 3.11Å
96E85Confident77.5Confident119 Ų11972.5 Ų72.556%0.55638%0.375SS*.Hα-helixtrans-60.6-47.6177.2-75.3176.5-174.600111.9G92 Q93 M98 V99 L100G92-E96 WeakPolarHBondContact O-CG 3.17Å; G92-E96 PolarHBondContact O-N 3.23Å; Q93-E96 PolarHBondContact O-N 3.17Å; E96-M98 PolarHBondContact O-N 2.88Å; E96-V99 PolarHBondContact O-N 2.94Å; E96-L100 WeakPolarHBondContact O-CB 3.27Å; E96-L100 VanDerWaalsContact O-CG 3.24Å; E96-L100 WeakPolarHBondContact O-CG 3.5Å; E96-L100 PolarHBondContact O-N 3.15Å
97V81.5Confident75.2Confident99 Ų9973.1 Ų73.160%0.638%0.379SS*.Hα-helixtrans-57.9-40.8177.2171.20000111Q93 L94 A101Q93-V97 WeakPolarHBondContact O-CG2 3.05Å; Q93-V97 PolarHBondContact O-N 3.44Å; L94-V97 PolarHBondContact O-N 2.93Å; V97-A101 VanDerWaalsContact O-CB 3.22Å; V97-A101 WeakPolarHBondContact O-CB 3.32Å; V97-A101 PolarHBondContact O-N 3.19Å
98M75.9Confident73.1Confident18 Ų1874.4 Ų74.49%0.08939%0.391CS..Hα-helixtrans-65.9-47.2177.7-67.817996.200111.9V80 L94 Y95 E96 A101 A102 P138 G142V80-M98 HydrophobicContact CG1-CE 3.27Å; V80-M98 HydrophobicContact CG1-CG 4.29Å; V80-M98 HydrophobicContact CG1-SD 3.5Å; V80-M98 WeakPolarHBondContact CG1-SD 3.23Å; L94-M98 VanDerWaalsContact O-CG 3.23Å; L94-M98 WeakPolarHBondContact O-CG 3.24Å; L94-M98 PolarHBondContact O-N 3.11Å; L94-M98 VanDerWaalsContact O-N 3.09Å; Y95-M98 PolarHBondContact O-N 3Å; E96-M98 PolarHBondContact O-N 2.88Å; M98-A101 PolarHBondContact O-N 3.32Å; M98-A102 PolarHBondContact O-N 3.35Å; M98-A102 VanDerWaalsContact O-N 3.14Å; M98-P138 WeakPolarHBondContact O-CB 3.42Å; M98-G142 VanDerWaalsContact SD-CA 3.58Å
99V71.2Confident70.8Confident32 Ų3281.6 Ų81.619%0.19440%0.403CS..Hα-helixtrans-64.4-43.9179.6173.40000111.3Y95 E96 A102 Q103Y95-V99 HydrophobicContact CD1-CG2 4.13Å; Y95-V99 HydrophobicContact CE1-CG2 3.72Å; Y95-V99 HydrophobicContact CE2-CG2 4.19Å; Y95-V99 WeakPolarHBondContact O-CG2 3.14Å; Y95-V99 PolarHBondContact O-N 3.11Å; E96-V99 PolarHBondContact O-N 2.94Å; V99-A102 WeakPolarHBondContact O-CB 3.24Å; V99-A102 PolarHBondContact O-N 3.17Å; V99-Q103 PolarHBondContact O-N 2.87Å; V99-Q103 VanDerWaalsContact O-N 3.15Å
100L63.9Low68.5Low82 Ų8284.6 Ų84.643%0.42943%0.428SS..Hα-helixtrans-64.9-43.6178.2-68.6172.3000111.2E96 A102 Q103 Y104E96-L100 WeakPolarHBondContact O-CB 3.27Å; E96-L100 VanDerWaalsContact O-CG 3.24Å; E96-L100 WeakPolarHBondContact O-CG 3.5Å; E96-L100 PolarHBondContact O-N 3.15Å; L100-A102 PolarHBondContact O-N 2.81Å; L100-Q103 PolarHBondContact O-N 2.8Å; L100-Y104 HydrophobicContact CB-CD2 4.38Å; L100-Y104 HydrophobicContact CD2-CE2 4.21Å; L100-Y104 VanDerWaalsContact O-CD2 3.27Å; L100-Y104 WeakPolarHBondContact O-CD2 3.44Å; L100-Y104 PolarHBondContact O-N 2.88Å
101A62.4Low66.3Low50 Ų5089.6 Ų89.641%0.41346%0.458SS..Hα-helixtrans-57.4-35.4174.400000111.9V97 M98 W105V97-A101 VanDerWaalsContact O-CB 3.22Å; V97-A101 WeakPolarHBondContact O-CB 3.32Å; V97-A101 PolarHBondContact O-N 3.19Å; M98-A101 PolarHBondContact O-N 3.32Å; A101-W105 WeakPolarHBondContact O-CB 3.29Å; A101-W105 PolarHBondContact O-N 3.41Å
102A60.1Low64Low5 Ų597.4 Ų97.44%0.04149%0.487CS..Hα-helixtrans-59.8-48.3171.100000112.7M98 V99 L100 M106 P138 L139M98-A102 PolarHBondContact O-N 3.35Å; M98-A102 VanDerWaalsContact O-N 3.14Å; V99-A102 WeakPolarHBondContact O-CB 3.24Å; V99-A102 PolarHBondContact O-N 3.17Å; L100-A102 PolarHBondContact O-N 2.81Å; A102-M106 VanDerWaalsContact O-CB 3.31Å; A102-M106 WeakPolarHBondContact O-CB 3.41Å; A102-M106 VanDerWaalsContact O-CG 3.24Å; A102-M106 WeakPolarHBondContact O-CG 3.38Å; A102-M106 PolarHBondContact O-N 3.29Å; A102-P138 HydrophobicContact CB-CB 3.59Å; A102-P138 HydrophobicContact CB-CG 3.28Å; A102-L139 HydrophobicContact CB-CG 4.34Å
103Q53.1Low61.8Low142 Ų142104.5 Ų104.566%0.66452%0.518SS*.Hα-helixtrans-74.2-32.9-169.1-167.6162.3-7.800111.7V99 L100V99-Q103 PolarHBondContact O-N 2.87Å; V99-Q103 VanDerWaalsContact O-N 3.15Å; L100-Q103 PolarHBondContact O-N 2.8Å
104Y53.5Low59.7Low198 Ų198104.1 Ų104.178%0.77652%0.524SS*.Hα-helixtrans-85.7-29.1176.3-75.2-79.2000113.6L100L100-Y104 HydrophobicContact CB-CD2 4.38Å; L100-Y104 HydrophobicContact CD2-CE2 4.21Å; L100-Y104 VanDerWaalsContact O-CD2 3.27Å; L100-Y104 WeakPolarHBondContact O-CD2 3.44Å; L100-Y104 PolarHBondContact O-N 2.88Å
105W54Low57.7Low191 Ų191110.2 Ų110.272%0.72356%0.556SS**Hα-helixtrans-93.3-3.9179.5-165.4-94.2000114A101 P107A101-W105 WeakPolarHBondContact O-CB 3.29Å; A101-W105 PolarHBondContact O-N 3.41Å; W105-P107 VanDerWaalsContact C-CD 3.47Å; W105-P107 WeakPolarHBondContact O-CD 3.02Å
106M43.4Very low55.8Low98 Ų98110.4 Ų110.448%0.48357%0.566SS.*SBendtrans-89.593.2164.6-75.3-177.3-177.200108.7A102 S108A102-M106 VanDerWaalsContact O-CB 3.31Å; A102-M106 WeakPolarHBondContact O-CB 3.41Å; A102-M106 VanDerWaalsContact O-CG 3.24Å; A102-M106 WeakPolarHBondContact O-CG 3.38Å; A102-M106 PolarHBondContact O-N 3.29Å; M106-S108 VanDerWaalsContact C-N 3.32Å; M106-S108 PolarHBondContact O-N 2.86Å
107P46.2Very low54.1Low90 Ų90110.5 Ų110.558%0.58457%0.57SS**  trans-66.5100.7167.828.4-32.6000107.1W105 R109 W112W105-P107 VanDerWaalsContact C-CD 3.47Å; W105-P107 WeakPolarHBondContact O-CD 3.02Å; P107-R109 PolarHBondContact O-N 2.88Å; P107-W112 HydrophobicContact CB-CZ2 4.16Å
108S48.1Very low52.7Low110 Ų110110.9 Ų110.977%0.76957%0.572SS**  trans-50.7123149.7-77.30000106.4M106 A110M106-S108 VanDerWaalsContact C-N 3.32Å; M106-S108 PolarHBondContact O-N 2.86Å; S108-A110 VanDerWaalsContact C-N 3.29Å; S108-A110 PolarHBondContact O-N 2.92Å
109R46.4Very low51.5Low250 Ų250115.5 Ų115.594%0.94360%0.596SS**SBendtrans-52.491.7172.4-78176.4170.1177.8-3109.7P107P107-R109 PolarHBondContact O-N 2.88Å
110A47.6Very low50.4Low76 Ų76117.8 Ų117.863%0.62861%0.607SS**  trans172.6137.1150.800000109.6S108S108-A110 VanDerWaalsContact C-N 3.29Å; S108-A110 PolarHBondContact O-N 2.92Å
111V47.7Very low49.6Very low140 Ų140120.6 Ų120.685%0.84862%0.62SS**  trans84.183.2169.6-1570000115
112W46.1Very low48.8Very low170 Ų170123.6 Ų123.664%0.64463%0.628SS**  trans-104.6131.2163.9-71.191.8000110P107 A116P107-W112 HydrophobicContact CB-CZ2 4.16Å; W112-A116 HydrophobicContact CE3-CB 4.04Å; W112-A116 HydrophobicContact CZ3-CB 4Å
113H45.8Very low48.4Very low158 Ų158126.7 Ų126.773%0.73164%0.643SS**  trans-91.1147.9167.1-133.5-86.6000109.5L115H113-L115 VanDerWaalsContact C-N 3.29Å; H113-L115 PolarHBondContact O-N 2.9Å
114P45.4Very low48.2Very low93 Ų93124.5 Ų124.560%0.60464%0.64SS**THydrogen-bonded Turntrans-70.5-7.9-160.6-20.633.5000117.3
115L45.5Very low47.5Very low156 Ų156122.2 Ų122.282%0.81764%0.636SS**THydrogen-bonded Turntrans-85.8-13-174.3-66.8174.2000114.2H113H113-L115 VanDerWaalsContact C-N 3.29Å; H113-L115 PolarHBondContact O-N 2.9Å
116A48.8Very low47.2Very low41 Ų41120 Ų12034%0.33964%0.638SS.*SBendtrans-79.1-20.3-18000000113.9W112 V118 L119 D120W112-A116 HydrophobicContact CE3-CB 4.04Å; W112-A116 HydrophobicContact CZ3-CB 4Å; A116-V118 PolarHBondContact O-N 2.98Å; A116-L119 PolarHBondContact O-N 3.28Å; A116-D120 PolarHBondContact O-N 2.86Å
117L48.9Very low47.4Very low122 Ų122124.5 Ų124.564%0.63965%0.65SS**Hα-helixtrans-69.5-30.4-175.2-79165.4000113.6M121L117-M121 WeakPolarHBondContact O-CB 3.42Å; L117-M121 PolarHBondContact O-N 2.86Å; L117-M121 VanDerWaalsContact O-N 3.11Å
118V52.8Low47.3Very low106 Ų106125.3 Ų125.364%0.64266%0.658SS**Hα-helixtrans-73-33.3-177.6-176.20000111.2A116 L122A116-V118 PolarHBondContact O-N 2.98Å; V118-L122 PolarHBondContact O-N 3Å
119L51.5Low46.8Very low116 Ų116123.1 Ų123.161%0.60765%0.652SS**Hα-helixtrans-77.6-38.1178.9-160.168.8000111.7A116 L122 I123A116-L119 PolarHBondContact O-N 3.28Å; L119-L122 PolarHBondContact O-N 2.99Å; L119-I123 HydrophobicContact CG-CD1 4.15Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.21Å; L119-I123 PolarHBondContact O-N 3.5Å
120D47.5Very low46.3Very low79 Ų79115.5 Ų115.542%0.42264%0.643SS.*Hα-helixtrans-67.5-35.4175.9-99.61.7000112.7A116 I123 T124A116-D120 PolarHBondContact O-N 2.86Å; D120-I123 PolarHBondContact O-N 3.05Å; D120-T124 VanDerWaalsContact O-CB 3.28Å; D120-T124 WeakPolarHBondContact O-CB 3.06Å; D120-T124 PolarHBondContact O-N 2.87Å; D120-T124 PolarHBondContact O-OG1 3.02Å
121M45.9Very low45.7Very low141 Ų141121.1 Ų121.170%0.69566%0.656SS**Hα-helixtrans-69.8-35.3177.4-148.8174.191.700111.9L117 Q125L117-M121 WeakPolarHBondContact O-CB 3.42Å; L117-M121 PolarHBondContact O-N 2.86Å; L117-M121 VanDerWaalsContact O-N 3.11Å; M121-Q125 PolarHBondContact O-N 3.18Å
122L45.8Very low45Very low113 Ų113117.6 Ų117.659%0.59265%0.648SS**Hα-helixtrans-68.8-40174.9-12994.2000112V118 L119 L126V118-L122 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 2.99Å; L122-L126 PolarHBondContact O-N 2.75Å
123I52.5Low44.4Very low70 Ų70115.2 Ų115.236%0.35965%0.652SS.*Hα-helixtrans-72.4-32.8179-67.2169.1000111.3L119 D120 R127L119-I123 HydrophobicContact CG-CD1 4.15Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.21Å; L119-I123 PolarHBondContact O-N 3.5Å; D120-I123 PolarHBondContact O-N 3.05Å; I123-R127 WeakPolarHBondContact O-CB 2.92Å; I123-R127 VanDerWaalsContact O-CG 3.32Å; I123-R127 WeakPolarHBondContact O-CG 3.24Å; I123-R127 PolarHBondContact O-N 3.12Å
124T48.5Very low44Very low97 Ų97113.3 Ų113.360%0.59565%0.646SS**Hα-helixtrans-71.2-36.6177.4-57.40000112.2D120 R127D120-T124 VanDerWaalsContact O-CB 3.28Å; D120-T124 WeakPolarHBondContact O-CB 3.06Å; D120-T124 PolarHBondContact O-N 2.87Å; D120-T124 PolarHBondContact O-OG1 3.02Å; T124-R127 PolarHBondContact O-N 3.08Å
125Q40Very low43.5Very low149 Ų149117.3 Ų117.370%0.69665%0.651SS**Hα-helixtrans-69.3-32.1175.3-79.2-71.9-21.300112.9M121 R127M121-Q125 PolarHBondContact O-N 3.18Å; Q125-R127 VanDerWaalsContact C-N 3.26Å; Q125-R127 PolarHBondContact O-N 3.5Å
126L46.4Very low43.3Very low146 Ų146113.1 Ų113.176%0.76463%0.632SS**THydrogen-bonded Turntrans-76.4-7.2175.5-79.5164.5000114.2L122L122-L126 PolarHBondContact O-N 2.75Å
127R48.6Very low43Very low191 Ų191112.7 Ų112.772%0.72163%0.625SS**THydrogen-bonded Turntrans-123.514.5-171.8-68.9-178.5-178.6-137.43.5114.7I123 T124 Q125 G129I123-R127 WeakPolarHBondContact O-CB 2.92Å; I123-R127 VanDerWaalsContact O-CG 3.32Å; I123-R127 WeakPolarHBondContact O-CG 3.24Å; I123-R127 PolarHBondContact O-N 3.12Å; T124-R127 PolarHBondContact O-N 3.08Å; Q125-R127 VanDerWaalsContact C-N 3.26Å; Q125-R127 PolarHBondContact O-N 3.5Å; R127-G129 PolarHBondContact O-N 3.36Å
128S42.8Very low42.7Very low108 Ų108107.6 Ų107.676%0.75560%0.599SS**  trans-74.7-0.5175.866.90000114.2
129G38.6Very low42.1Very low63 Ų63105.4 Ų105.465%0.64958%0.583SS**SBendtrans-106115166.800000111.5R127R127-G129 PolarHBondContact O-N 3.36Å
130A34.6Very low41.7Very low91 Ų91100.2 Ų100.275%0.75256%0.556SS**SBendtrans96.6101.3170.800000118
131E36.4Very low41.4Very low193 Ų19397.1 Ų97.190%0.90254%0.539SS*.  trans57.5111.6135.7-57.3-170.7155.800120.6
132G32.3Very low41.3Very low67 Ų6791 Ų9169%0.69151%0.511SS*.  trans51.893.4135.100000117.8I134G132-I134 PolarHBondContact O-N 2.9Å
133V33.6Very low41.4Very low120 Ų12086.2 Ų86.273%0.72749%0.487SS*.  trans-64.696.2172.9-1750000110.4Y135V133-Y135 HydrophobicContact CG1-CD2 4.42Å; V133-Y135 HydrophobicContact CG1-CE1 4.45Å; V133-Y135 HydrophobicContact CG1-CE2 4.21Å
134I36.5Very low41.1Very low118 Ų11883.1 Ų83.161%0.60547%0.471SS*.  trans-84.6106.9164.1-61.3176.7000106.6M1 G132M1-I134 VanDerWaalsContact N-CD1 3.28Å; G132-I134 PolarHBondContact O-N 2.9Å
135Y35.7Very low41.3Very low177 Ų17779 Ų7969%0.69445%0.445SS*.  trans-61127.3172.2-71.3-84.4000110V133 D137V133-Y135 HydrophobicContact CG1-CD2 4.42Å; V133-Y135 HydrophobicContact CG1-CE1 4.45Å; V133-Y135 HydrophobicContact CG1-CE2 4.21Å; Y135-D137 PolarHBondContact O-N 3.04Å; Y135-D137 VanDerWaalsContact O-N 3.12Å
136P41.6Very low41.6Very low67 Ų6772.6 Ų72.644%0.43542%0.415SS..  trans-67.4112.4166.926.6-28.9000107.4P138P136-P138 WeakPolarHBondContact O-CD 3.32Å; P136-P138 WeakPolarHBondContact O-CG 3.29Å
137D41.5Very low41.3Very low32 Ų3268.9 Ų68.917%0.17140%0.398CS..  trans-81.3106.9170.8171.27.3000108.9K6 F11 R14 Y135 T140K6-D137 PolarHBondContact NZ-O 3.25Å; K6-D137 VanDerWaalsContact NZ-O 3.11Å; F11-D137 WeakPolarHBondContact CD2-OD2 3.31Å; F11-D137 WeakPolarHBondContact CE2-OD1 3.31Å; R14-D137 IonicContact CZ-OD2 3.32Å; R14-D137 VanDerWaalsContact CZ-OD2 3.32Å; R14-D137 IonicContact NH1-OD2 2.72Å; R14-D137 PolarHBondContact NH1-OD2 3.03Å; R14-D137 IonicContact NH2-OD2 2.94Å; R14-D137 PolarHBondContact NH2-OD2 3.07Å; Y135-D137 PolarHBondContact O-N 3.04Å; Y135-D137 VanDerWaalsContact O-N 3.12Å; D137-T140 PolarHBondContact OD1-OG1 3.26Å; D137-T140 PolarHBondContact OD2-OG1 3.46Å
138P43.3Very low41Very low15 Ų1562.5 Ų62.510%0.09738%0.381CS..  trans-112.63.4-168.27.219.5000113.4M98 A102 P136 T140M98-P138 WeakPolarHBondContact O-CB 3.42Å; A102-P138 HydrophobicContact CB-CB 3.59Å; A102-P138 HydrophobicContact CB-CG 3.28Å; P136-P138 WeakPolarHBondContact O-CD 3.32Å; P136-P138 WeakPolarHBondContact O-CG 3.29Å; P138-T140 PolarHBondContact O-N 3.4Å
139L40.5Very low40.9Very low61 Ų6159.9 Ų59.932%0.31936%0.36SS..SBendtrans-84.36.1175.5-76170.8000112.9F11 A102F11-L139 HydrophobicContact CE2-CB 4.17Å; F11-L139 HydrophobicContact CZ-CB 4.27Å; F11-L139 HydrophobicContact CZ-CD1 4.1Å; A102-L139 HydrophobicContact CB-CG 4.34Å
140T42.6Very low41Very low6 Ų659.8 Ų59.84%0.03734%0.343CS..SBendtrans-139.9121.7-177.327.50000110R14 D137 P138R14-T140 HydrophobicContact CB-CG2 3.26Å; R14-T140 PolarHBondContact NH1-OG1 3.42Å; R14-T140 WeakPolarHBondContact O-CG2 3.46Å; D137-T140 PolarHBondContact OD1-OG1 3.26Å; D137-T140 PolarHBondContact OD2-OG1 3.46Å; P138-T140 PolarHBondContact O-N 3.4Å
141Y41.9Very low41.4Very low15 Ų1557.8 Ų57.86%0.05932%0.317CS..  trans33.7108167.8-71-104.1000114.2Y5 E17 P30 I32 T143Y5-Y141 HydrophobicContact CE1-CD2 4.41Å; E17-Y141 PolarHBondContact OE1-OH 2.92Å; P30-Y141 HydrophobicContact CB-CD1 3.51Å; P30-Y141 HydrophobicContact CB-CE1 3.34Å; P30-Y141 HydrophobicContact CB-CG 4.18Å; P30-Y141 HydrophobicContact CG-CD1 4.48Å; P30-Y141 WeakPolarHBondContact O-CA 3.44Å; I32-Y141 HydrophobicContact CD1-CD1 3.52Å; I32-Y141 HydrophobicContact CD1-CE1 3.81Å; I32-Y141 HydrophobicContact CD1-CG 3.94Å; I32-Y141 VanDerWaalsContact CG1-CB 3.48Å; I32-Y141 HydrophobicContact CG1-CD1 3.57Å; I32-Y141 HydrophobicContact CG1-CD2 4.26Å; I32-Y141 HydrophobicContact CG1-CE1 4.34Å; I32-Y141 HydrophobicContact CG1-CG 3.55Å; Y141-T143 WeakPolarHBondContact O-CA 3.28Å; Y141-T143 PolarHBondContact O-N 3.33Å; Y141-T143 PolarHBondContact O-OG1 2.69Å
142G44Very low41.7Very low11 Ų1148.8 Ų48.811%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-45.3105.9172.300000109V31 I32 M98 V144V31-G142 VanDerWaalsContact CG1-O 3.31Å; V31-G142 WeakPolarHBondContact CG1-O 3.5Å; I32-G142 PolarHBondContact N-O 3.11Å; M98-G142 VanDerWaalsContact SD-CA 3.58Å; G142-V144 PolarHBondContact O-N 3.44Å
143T48.1Very low42.4Very low13 Ų1347.5 Ų47.58%0.0825%0.249CC..EExtended strand (participates in β ladder)trans-90.4109.5-168.2-45.30000105.7F3 I32 Y141F3-T143 HydrophobicContact CD1-CG2 3.32Å; F3-T143 HydrophobicContact CD2-CG2 4.39Å; F3-T143 HydrophobicContact CE1-CG2 3.18Å; F3-T143 HydrophobicContact CE2-CG2 4.27Å; F3-T143 HydrophobicContact CG-CG2 3.95Å; F3-T143 HydrophobicContact CZ-CG2 3.68Å; I32-T143 HydrophobicContact CB-CG2 4.23Å; I32-T143 HydrophobicContact CG2-CG2 4.25Å; I32-T143 CarbonylContact O-C 3.59Å; I32-T143 WeakPolarHBondContact O-CA 3.43Å; Y141-T143 WeakPolarHBondContact O-CA 3.28Å; Y141-T143 PolarHBondContact O-N 3.33Å; Y141-T143 PolarHBondContact O-OG1 2.69Å
144V45Very low43.1Very low5 Ų541.9 Ų41.93%0.0321%0.212CC..EExtended strand (participates in β ladder)trans-101.3123.8-178.8178.90000107.1V31 I32 V33 E34 F78 V80 G142V31-V144 HydrophobicContact CG1-CB 4.41Å; V31-V144 HydrophobicContact CG1-CG2 3.86Å; I32-V144 PolarHBondContact O-N 3.49Å; V33-V144 VanDerWaalsContact CA-O 3.26Å; V33-V144 WeakPolarHBondContact CA-O 3.3Å; V33-V144 HydrophobicContact CG2-CB 4.41Å; E34-V144 PolarHBondContact N-O 3.49Å; F78-V144 HydrophobicContact CB-CG1 3.52Å; F78-V144 HydrophobicContact CD1-CG1 3.7Å; F78-V144 HydrophobicContact CD2-CG1 3.77Å; F78-V144 HydrophobicContact CE1-CG1 4.38Å; F78-V144 HydrophobicContact CE2-CG1 4.43Å; F78-V144 HydrophobicContact CG-CG1 3.36Å; V80-V144 HydrophobicContact CG2-CG2 3.85Å; G142-V144 PolarHBondContact O-N 3.44Å
145R53.1Low43.6Very low12 Ų1235.6 Ų35.65%0.04518%0.179CC..EExtended strand (participates in β ladder)trans-102134.5174.2-142.8176.6-162.4150.32.1111.6M1 K2 F3 E34 K35 A36 F78 F79M1-R145 HydrophobicContact CE-CB 4.18Å; M1-R145 HydrophobicContact CE-CG 4.26Å; K2-R145 VanDerWaalsContact O-CZ 3.27Å; K2-R145 PolarHBondContact O-NH1 3.32Å; K2-R145 PolarHBondContact O-NH2 3.33Å; F3-R145 HydrophobicContact CE1-CB 4.31Å; F3-R145 HydrophobicContact CE1-CG 4.26Å; E34-R145 HydrophobicContact CB-CG 4.5Å; E34-R145 CarbonylContact O-C 3.57Å; E34-R145 VanDerWaalsContact O-CA 3.23Å; E34-R145 WeakPolarHBondContact O-CA 3.37Å; E34-R145 WeakPolarHBondContact O-CG 3.46Å; K35-R145 PolarHBondContact O-NE 3.38Å; K35-R145 PolarHBondContact O-NH2 3.17Å; A36-R145 VanDerWaalsContact CA-NE 3.34Å; A36-R145 HydrophobicContact CB-CG 4.31Å; F78-R145 CarbonylContact C-O 3.56Å; F78-R145 VanDerWaalsContact CA-O 3.29Å; F78-R145 WeakPolarHBondContact CA-O 3.23Å; F79-R145 HydrophobicContact CB-CB 4.45Å; F79-R145 PolarHBondContact N-O 2.8Å; F79-R145 PolarHBondContact O-N 3.43Å
146L46Very low44.3Very low13 Ų1322.7 Ų22.77%0.06813%0.132CC..  trans-76.50167.3-55-171.5000112.1V33 E34 A36 V41 L44 I64 I68 L76 F77 F78V33-L146 HydrophobicContact CG1-CD2 4.01Å; V33-L146 HydrophobicContact CG1-CG 3.95Å; E34-L146 PolarHBondContact O-N 3.17Å; A36-L146 WeakPolarHBondContact CB-O 3.43Å; A36-L146 PolarHBondContact N-O 3.37Å; V41-L146 HydrophobicContact CG2-CB 4.27Å; V41-L146 HydrophobicContact CG2-CD1 4.29Å; L44-L146 HydrophobicContact CD1-CD1 3.57Å; L44-L146 HydrophobicContact CD1-CG 4.29Å; L44-L146 HydrophobicContact CD2-CD1 4.19Å; L44-L146 HydrophobicContact CG-CD1 4.07Å; I64-L146 HydrophobicContact CG2-CD1 4Å; I64-L146 HydrophobicContact CG2-CD2 3.86Å; I68-L146 HydrophobicContact CD1-CD1 4.33Å; L76-L146 HydrophobicContact CD1-CB 4.1Å; L76-L146 HydrophobicContact CD1-CD1 4.2Å; L76-L146 HydrophobicContact CD1-CD2 3.72Å; L76-L146 HydrophobicContact CD1-CG 4.24Å; L76-L146 HydrophobicContact CD2-CD2 4.35Å; L76-L146 HydrophobicContact CG-CD2 4.27Å; F77-L146 CarbonylContact O-C 3.55Å; F77-L146 WeakPolarHBondContact O-CA 3.5Å; F77-L146 VanDerWaalsContact O-OXT 3.11Å; F78-L146 HydrophobicContact CD1-CD2 3.45Å; F78-L146 VanDerWaalsContact CD1-CD2 3.45Å; F78-L146 HydrophobicContact CE1-CD2 3.15Å; F78-L146 HydrophobicContact CZ-CD2 4.34Å

Retrieved 146 of 146 residues in 1154 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).