A0A096MS13_PAPAN Loading...

NudC domain-containing protein 2

May regulate the LIS1/dynein pathway by stabilizing LIS1 with Hsp90 chaperone.

AlphaFold DB (A0A2K5ZCS7), UniProt , Accession A0A096MS13, Species PAPAN (Papio anubis, Olive baboon), Gene NUDCD2, Length 157 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low58.6Low245 Ų24587.8 Ų87.8100%1.20749%0.485SS*.  0110.40-76.4-177.4-86.500106.6A3M1-A3 PolarHBondContact O-N 3.41Å
2S41Very low61Low108 Ų10882.6 Ų82.676%0.75546%0.457SS*.PPolyproline II helixtrans-64.2130.2177.3-40.50000108.1
3A48.5Very low63.3Low33 Ų3380.5 Ų80.527%0.27345%0.45SS..PPolyproline II helixtrans-55.5142.4171.500000109.1M1 F5 R8M1-A3 PolarHBondContact O-N 3.41Å; A3-F5 PolarHBondContact O-N 3.47Å; A3-R8 HydrophobicContact CB-CG 4.41Å
4P61.3Low65.4Low79 Ų7975.5 Ų75.551%0.51342%0.422SS..PPolyproline II helixtrans-50.1138.3174.3-23.632.9000110E6 E7P4-E6 PolarHBondContact O-N 2.78Å; P4-E7 WeakPolarHBondContact O-CB 3.4Å; P4-E7 PolarHBondContact O-N 3.17Å
5F57.1Low67.3Low33 Ų3374.7 Ų74.715%0.14544%0.438CS..Hα-helixtrans-51.9-33.7-177.4173.8-100.8000112.5A3 E7 R8 S9 K121 L124 E125A3-F5 PolarHBondContact O-N 3.47Å; F5-E7 VanDerWaalsContact C-N 3.27Å; F5-E7 PolarHBondContact O-N 3.01Å; F5-R8 PolarHBondContact O-N 3.33Å; F5-R8 VanDerWaalsContact O-N 3.14Å; F5-S9 WeakPolarHBondContact CZ-OG 3.42Å; F5-S9 WeakPolarHBondContact O-CB 3.4Å; F5-S9 PolarHBondContact O-N 3.03Å; F5-K121 HydrophobicContact CE1-CG 4.15Å; F5-L124 HydrophobicContact CE2-CG 4.45Å; F5-L124 HydrophobicContact CZ-CB 4.35Å; F5-L124 HydrophobicContact CZ-CD2 4.08Å; F5-L124 HydrophobicContact CZ-CG 4.11Å; F5-E125 HydrophobicContact CD1-CB 3.97Å; F5-E125 HydrophobicContact CD1-CG 3.7Å; F5-E125 HydrophobicContact CE1-CB 3.64Å; F5-E125 HydrophobicContact CE1-CG 3.94Å; F5-E125 HydrophobicContact CG-CG 4.16Å; F5-E125 HydrophobicContact CZ-CB 4.05Å
6E59.7Low68.9Low45 Ų4571.3 Ų71.321%0.2142%0.418CS..Hα-helixtrans-54.7-37.8174.5-60.6-179.1113.100113.5P4 R8 G10 V11 T24 F29P4-E6 PolarHBondContact O-N 2.78Å; E6-R8 VanDerWaalsContact C-N 3.32Å; E6-R8 PolarHBondContact O-N 3.11Å; E6-G10 CarbonylContact O-C 3.53Å; E6-G10 VanDerWaalsContact O-CA 3.26Å; E6-G10 WeakPolarHBondContact O-CA 3.3Å; E6-G10 PolarHBondContact O-N 2.83Å; E6-V11 HydrophobicContact CB-CG1 4.15Å; E6-V11 HydrophobicContact CG-CG1 4.36Å; E6-T24 HydrophobicContact CG-CG2 3.71Å; E6-T24 WeakPolarHBondContact OE1-CG2 3.48Å; E6-F29 VanDerWaalsContact OE1-CE2 3.26Å; E6-F29 WeakPolarHBondContact OE1-CE2 3.39Å
7E59.8Low70.2Confident153 Ų15374.7 Ų74.772%0.71544%0.443SS*.Hα-helixtrans-75.4-23.4-177.7-162.4172.7-165.500112.1P4 F5P4-E7 WeakPolarHBondContact O-CB 3.4Å; P4-E7 PolarHBondContact O-N 3.17Å; F5-E7 VanDerWaalsContact C-N 3.27Å; F5-E7 PolarHBondContact O-N 3.01Å
8R60.5Low71.5Confident137 Ų13772.2 Ų72.252%0.51743%0.425SS..Hα-helixtrans-96.7-37.4-179.4-64.6-175.2176.4-169.6-0.7113.5A3 F5 E6A3-R8 HydrophobicContact CB-CG 4.41Å; F5-R8 PolarHBondContact O-N 3.33Å; F5-R8 VanDerWaalsContact O-N 3.14Å; E6-R8 VanDerWaalsContact C-N 3.32Å; E6-R8 PolarHBondContact O-N 3.11Å
9S63.4Low72.7Confident35 Ų3569.4 Ų69.425%0.24541%0.413CS..Hα-helixtrans-96-8.7-175.9178.10000112.7F5 K121F5-S9 WeakPolarHBondContact CZ-OG 3.42Å; F5-S9 WeakPolarHBondContact O-CB 3.4Å; F5-S9 PolarHBondContact O-N 3.03Å; S9-K121 PolarHBondContact O-NZ 2.9Å; S9-K121 PolarHBondContact OG-NZ 3.25Å
10G73Confident73.8Confident37 Ų3769.2 Ų69.238%0.38141%0.407SS..  trans75.6-167.6-168.800000111.9E6 K121E6-G10 CarbonylContact O-C 3.53Å; E6-G10 VanDerWaalsContact O-CA 3.26Å; E6-G10 WeakPolarHBondContact O-CA 3.3Å; E6-G10 PolarHBondContact O-N 2.83Å; G10-K121 WeakPolarHBondContact O-CE 3.49Å; G10-K121 PolarHBondContact O-NZ 3.13Å
11V82.8Confident74.8Confident61 Ų6165.9 Ų65.937%0.3739%0.388SS..  trans-129.1156.4170.4-670000109.4E6 P13 Y22E6-V11 HydrophobicContact CB-CG1 4.15Å; E6-V11 HydrophobicContact CG-CG1 4.36Å; V11-P13 WeakPolarHBondContact O-CD 3.43Å; V11-Y22 HydrophobicContact CB-CD2 4.02Å; V11-Y22 HydrophobicContact CB-CE2 4.44Å; V11-Y22 HydrophobicContact CB-CG 4.18Å; V11-Y22 HydrophobicContact CG1-CD2 3.83Å; V11-Y22 HydrophobicContact CG1-CE2 3.9Å; V11-Y22 HydrophobicContact CG1-CG 4.47Å; V11-Y22 HydrophobicContact CG2-CG 4.46Å
12V87.7Confident77.5Confident25 Ų2554.8 Ų54.815%0.15233%0.333CS..  trans-106.692.5173.4178.40000107.4Y22 V114 Q117 M118 K121V12-Y22 WeakPolarHBondContact O-CB 3.22Å; V12-V114 HydrophobicContact CG1-CG1 3.91Å; V12-Q117 HydrophobicContact CG1-CB 3.8Å; V12-Q117 HydrophobicContact CG2-CB 4.07Å; V12-M118 HydrophobicContact CB-CG 4.04Å; V12-M118 HydrophobicContact CG1-CG 3.74Å; V12-M118 WeakPolarHBondContact O-CE 3.37Å; V12-K121 HydrophobicContact CG2-CD 4.08Å
13P91.1Very high79.9Confident56 Ų5650.1 Ų50.136%0.36430%0.299SS..PPolyproline II helixtrans-78.7142.1-179.531.9-34.3000111.7V11 Q20V11-P13 WeakPolarHBondContact O-CD 3.43Å; P13-Q20 HydrophobicContact CB-CB 4.33Å
14C92.8Very high81.8Confident10 Ų1049 Ų497%0.06829%0.289CS..EExtended strand (participates in β ladder)trans-101.1116.6163.4179.60000108.5Q20 W21 A110 V114 M118C14-Q20 CarbonylContact O-C 3.6Å; C14-Q20 WeakPolarHBondContact O-CA 3.4Å; C14-Q20 WeakPolarHBondContact O-CB 3.31Å; C14-W21 HydrophobicContact CB-CD2 4.16Å; C14-W21 HydrophobicContact CB-CG 4.33Å; C14-W21 HydrophobicContact CB-CZ2 3.93Å; C14-W21 PolarHBondContact N-O 2.63Å; C14-W21 PolarHBondContact O-N 3.09Å; C14-W21 PolarHBondContact SG-NE1 2.82Å; C14-W21 VanDerWaalsContact SG-NE1 3.38Å; C14-A110 HydrophobicContact CB-CB 4.24Å; C14-V114 HydrophobicContact CB-CG1 4.46Å; C14-M118 HydrophobicContact CB-CE 3.83Å
15G92.9Very high83Confident64 Ų6445.6 Ų45.666%0.6627%0.266SS*.EExtended strand (participates in β ladder)trans-69144.517800000112.4
16T92.7Very high84.5Confident20 Ų2046.5 Ų46.512%0.12327%0.271CS..EExtended strand (participates in β ladder)trans-133.3162.9173.269.50000109.3W18 G19 Y108T16-W18 HydrophobicContact CG2-CH2 3.99Å; T16-W18 HydrophobicContact CG2-CZ2 3.88Å; T16-W18 PolarHBondContact O-N 3.09Å; T16-W18 VanDerWaalsContact OG1-CE2 3.3Å; T16-W18 WeakPolarHBondContact OG1-CZ2 3.22Å; T16-W18 WeakPolarHBondContact OG1-CZ3 3.05Å; T16-G19 PolarHBondContact N-O 2.77Å; T16-G19 PolarHBondContact O-N 3.17Å; T16-G19 VanDerWaalsContact O-N 3.14Å; T16-G19 VanDerWaalsContact OG1-C 3.26Å; T16-G19 PolarHBondContact OG1-N 2.91Å; T16-G19 PolarHBondContact OG1-O 3.09Å; T16-Y108 HydrophobicContact CG2-CD1 3.51Å; T16-Y108 HydrophobicContact CG2-CE1 4.28Å; T16-Y108 HydrophobicContact CG2-CG 4.04Å
17P92.3Very high86Confident129 Ų12947.4 Ų47.484%0.83828%0.275SS*.THydrogen-bonded Turntrans-59-22.3-179.9-26.435.9000114.9
18W92.8Very high87.7Confident29 Ų2940.1 Ų40.111%0.1124%0.241CC..THydrogen-bonded Turntrans-107.9-2.3-178.644.7-104.8000113.2T16 I30 V32 Q33 I61 L62 L103 Y108T16-W18 HydrophobicContact CG2-CH2 3.99Å; T16-W18 HydrophobicContact CG2-CZ2 3.88Å; T16-W18 PolarHBondContact O-N 3.09Å; T16-W18 VanDerWaalsContact OG1-CE2 3.3Å; T16-W18 WeakPolarHBondContact OG1-CZ2 3.22Å; T16-W18 WeakPolarHBondContact OG1-CZ3 3.05Å; W18-I30 HydrophobicContact CH2-CG2 3.4Å; W18-I30 VanDerWaalsContact CH2-CG2 3.4Å; W18-I30 HydrophobicContact CZ3-CG2 3.45Å; W18-I30 VanDerWaalsContact CZ3-CG2 3.45Å; W18-V32 HydrophobicContact CB-CG1 4.21Å; W18-V32 HydrophobicContact CD2-CG1 4.39Å; W18-V32 HydrophobicContact CE3-CB 4.05Å; W18-V32 HydrophobicContact CE3-CG1 3.93Å; W18-V32 HydrophobicContact CE3-CG2 3.59Å; W18-V32 HydrophobicContact CZ3-CG2 3.64Å; W18-Q33 PolarHBondContact O-N 2.79Å; W18-I61 HydrophobicContact CB-CG2 3.65Å; W18-I61 HydrophobicContact CD2-CG2 4.43Å; W18-I61 HydrophobicContact CG-CG2 3.8Å; W18-L62 HydrophobicContact CH2-CD2 4.35Å; W18-L62 HydrophobicContact CZ2-CD1 3.85Å; W18-L62 HydrophobicContact CZ2-CD2 4.33Å; W18-L62 HydrophobicContact CZ2-CG 4.47Å; W18-L103 HydrophobicContact CH2-CD2 3.75Å; W18-L103 HydrophobicContact CZ2-CD2 4.03Å; W18-Y108 AromaticContact CE2-CE1 3.89Å; W18-Y108 AromaticContact CE2-CZ 3.97Å; W18-Y108 HydrophobicContact CZ2-CD1 4.2Å; W18-Y108 HydrophobicContact CZ2-CD2 4.39Å; W18-Y108 HydrophobicContact CZ2-CE1 4.02Å; W18-Y108 HydrophobicContact CZ2-CE2 4.23Å; W18-Y108 HydrophobicContact CZ2-CG 4.38Å; W18-Y108 AromaticContact NE1-CE1 3.29Å; W18-Y108 VanDerWaalsContact NE1-CE1 3.29Å; W18-Y108 AromaticContact NE1-CZ 3.26Å; W18-Y108 VanDerWaalsContact NE1-CZ 3.26Å; W18-Y108 PolarHBondContact NE1-OH 3.26Å; W18-Y108 VanDerWaalsContact NE1-OH 3.12Å
19G94.1Very high89.3Confident19 Ų1934 Ų3420%0.19622%0.218CC..EExtended strand (participates in β ladder)trans157.7-124.5-178.900000112.1T16 E31T16-G19 PolarHBondContact N-O 2.77Å; T16-G19 PolarHBondContact O-N 3.17Å; T16-G19 VanDerWaalsContact O-N 3.14Å; T16-G19 VanDerWaalsContact OG1-C 3.26Å; T16-G19 PolarHBondContact OG1-N 2.91Å; T16-G19 PolarHBondContact OG1-O 3.09Å; G19-E31 WeakPolarHBondContact CA-O 3.34Å
20Q95.1Very high90.9Very high65 Ų6532.3 Ų32.330%0.30421%0.206SC..EExtended strand (participates in β ladder)trans-158.3163.6-178.360.3-169-7.500111.5P13 C14 E31P13-Q20 HydrophobicContact CB-CB 4.33Å; C14-Q20 CarbonylContact O-C 3.6Å; C14-Q20 WeakPolarHBondContact O-CA 3.4Å; C14-Q20 WeakPolarHBondContact O-CB 3.31Å; Q20-E31 HydrophobicContact CG-CB 4.02Å; Q20-E31 PolarHBondContact N-O 3.31Å; Q20-E31 PolarHBondContact NE2-OE2 2.72Å; Q20-E31 PolarHBondContact O-N 3.49Å
21W95.1Very high91.9Very high0 Ų031.6 Ų31.60%019%0.193CC..EExtended strand (participates in β ladder)trans-137152.5168.369.1-84.5000110.4C14 Q23 V28 F29 I30 W100 L103 Y108 A110 M118C14-W21 HydrophobicContact CB-CD2 4.16Å; C14-W21 HydrophobicContact CB-CG 4.33Å; C14-W21 HydrophobicContact CB-CZ2 3.93Å; C14-W21 PolarHBondContact N-O 2.63Å; C14-W21 PolarHBondContact O-N 3.09Å; C14-W21 PolarHBondContact SG-NE1 2.82Å; C14-W21 VanDerWaalsContact SG-NE1 3.38Å; W21-Q23 HydrophobicContact CZ3-CG 4.5Å; W21-V28 HydrophobicContact CE3-CG1 4.3Å; W21-F29 CarbonylContact C-O 3.48Å; W21-F29 WeakPolarHBondContact CA-O 3.22Å; W21-F29 VanDerWaalsContact CB-O 3.3Å; W21-F29 WeakPolarHBondContact CB-O 3.38Å; W21-I30 HydrophobicContact CB-CG1 4.47Å; W21-W100 HydrophobicContact CH2-CB 4.43Å; W21-W100 WeakPolarHBondContact CH2-O 3.43Å; W21-W100 HydrophobicContact CZ3-CB 4.34Å; W21-L103 HydrophobicContact CB-CD1 4.4Å; W21-L103 HydrophobicContact CB-CD2 4.24Å; W21-L103 HydrophobicContact CD2-CB 3.97Å; W21-L103 HydrophobicContact CD2-CD1 4.4Å; W21-L103 HydrophobicContact CG-CB 4.03Å; W21-L103 HydrophobicContact CG-CD1 4.33Å; W21-L103 HydrophobicContact CG-CD2 4.16Å; W21-L103 HydrophobicContact CG-CG 4.41Å; W21-L103 HydrophobicContact CZ2-CB 4.49Å; W21-Y108 PolarHBondContact NE1-O 2.76Å; W21-A110 HydrophobicContact CZ2-CB 4.27Å; W21-M118 HydrophobicContact CE3-CE 4.46Å; W21-M118 HydrophobicContact CH2-CE 3.99Å; W21-M118 HydrophobicContact CH2-SD 4.02Å; W21-M118 HydrophobicContact CZ2-CE 4.36Å; W21-M118 HydrophobicContact CZ3-CE 4.04Å; W21-M118 HydrophobicContact CZ3-SD 4.28Å
22Y93.6Very high92.6Very high12 Ų1228.7 Ų28.75%0.04718%0.176CC..EExtended strand (participates in β ladder)trans-145.6175.6172.952.7-85.6000109.1V11 V12 F29 E31 R86V11-Y22 HydrophobicContact CB-CD2 4.02Å; V11-Y22 HydrophobicContact CB-CE2 4.44Å; V11-Y22 HydrophobicContact CB-CG 4.18Å; V11-Y22 HydrophobicContact CG1-CD2 3.83Å; V11-Y22 HydrophobicContact CG1-CE2 3.9Å; V11-Y22 HydrophobicContact CG1-CG 4.47Å; V11-Y22 HydrophobicContact CG2-CG 4.46Å; V12-Y22 WeakPolarHBondContact O-CB 3.22Å; Y22-F29 HydrophobicContact CD1-CB 4.15Å; Y22-F29 HydrophobicContact CD2-CB 3.72Å; Y22-F29 AromaticContact CD2-CD2 3.63Å; Y22-F29 HydrophobicContact CD2-CD2 3.63Å; Y22-F29 AromaticContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CE1-CB 3.8Å; Y22-F29 HydrophobicContact CE2-CB 3.33Å; Y22-F29 HydrophobicContact CE2-CD1 4.13Å; Y22-F29 AromaticContact CE2-CD2 3.34Å; Y22-F29 HydrophobicContact CE2-CD2 3.34Å; Y22-F29 HydrophobicContact CE2-CE2 4.16Å; Y22-F29 AromaticContact CE2-CG 3.32Å; Y22-F29 HydrophobicContact CE2-CG 3.32Å; Y22-F29 HydrophobicContact CG-CB 4.1Å; Y22-F29 AromaticContact CZ-CG 3.71Å; Y22-F29 PolarHBondContact N-O 2.84Å; Y22-F29 PolarHBondContact O-N 2.85Å; Y22-E31 HydrophobicContact CE1-CG 4.32Å; Y22-E31 VanDerWaalsContact CE1-OE1 3.22Å; Y22-E31 WeakPolarHBondContact CE1-OE1 3.39Å; Y22-E31 PolarHBondContact OH-OE1 2.89Å; Y22-R86 PolarHBondContact OH-NH2 3.14Å
23Q91.1Very high92.9Very high11 Ų1132.8 Ų32.85%0.05119%0.193CC..EExtended strand (participates in β ladder)trans-146.4151.6-176.964.7-174.9-49.800111.2W21 E27 V28 W100 M118 L122W21-Q23 HydrophobicContact CZ3-CG 4.5Å; Q23-E27 WeakPolarHBondContact CA-O 3.44Å; Q23-V28 HydrophobicContact CB-CG2 4.28Å; Q23-W100 PolarHBondContact NE2-O 2.72Å; Q23-M118 PolarHBondContact NE2-SD 2.91Å; Q23-L122 HydrophobicContact CG-CD1 4.31Å
24T88.9Confident93Very high9 Ų930.7 Ų30.76%0.05518%0.179CC..  trans-110.5-17716461.40000108.7E6 E26 E27 F29 K91 L122E6-T24 HydrophobicContact CG-CG2 3.71Å; E6-T24 WeakPolarHBondContact OE1-CG2 3.48Å; T24-E26 PolarHBondContact O-N 2.86Å; T24-E26 PolarHBondContact OG1-N 3.49Å; T24-E27 PolarHBondContact N-O 3.22Å; T24-E27 PolarHBondContact OG1-N 2.8Å; T24-E27 PolarHBondContact OG1-O 2.86Å; T24-F29 HydrophobicContact CG2-CE2 3.9Å; T24-K91 PolarHBondContact O-NZ 2.8Å; T24-L122 VanDerWaalsContact O-CD2 3.26Å; T24-L122 WeakPolarHBondContact O-CD2 3.33Å
25L86.7Confident93Very high7 Ų734.5 Ų34.54%0.03720%0.204CC..SBendtrans-57.2-37.7173-79.5174.1000112.3R94 A96 L122 E125 R126L25-R94 WeakPolarHBondContact O-CA 3.43Å; L25-A96 VanDerWaalsContact CD2-CA 3.47Å; L25-A96 HydrophobicContact CD2-CB 3.75Å; L25-L122 HydrophobicContact CB-CD2 4.38Å; L25-L122 HydrophobicContact CD2-CB 4.19Å; L25-L122 HydrophobicContact CD2-CD2 3.85Å; L25-L122 HydrophobicContact CG-CD2 4.02Å; L25-L122 VanDerWaalsContact N-CD2 3.28Å; L25-E125 HydrophobicContact CD1-CB 3.87Å; L25-E125 HydrophobicContact CD1-CG 3.76Å; L25-E125 HydrophobicContact CG-CB 4.13Å; L25-E125 HydrophobicContact CG-CG 4.11Å; L25-E125 PolarHBondContact N-OE2 3.12Å; L25-R126 HydrophobicContact CD1-CB 3.87Å; L25-R126 HydrophobicContact CD2-CB 4.4Å
26E88.7Confident92.9Very high52 Ų5237.3 Ų37.324%0.24321%0.21CC..SBendtrans-99.9-31.7-170.5-53.7-155.3-170.200112.7T24 K91 R94 K129T24-E26 PolarHBondContact O-N 2.86Å; T24-E26 PolarHBondContact OG1-N 3.49Å; E26-K91 WeakPolarHBondContact O-CB 3.37Å; E26-K91 PolarHBondContact O-N 3.01Å; E26-R94 HydrophobicContact CB-CG 4.3Å; E26-R94 HydrophobicContact CG-CB 4.34Å; E26-R94 HydrophobicContact CG-CG 4.33Å; E26-R94 IonicContact OE2-CZ 3.41Å; E26-R94 IonicContact OE2-NH1 2.78Å; E26-R94 PolarHBondContact OE2-NH1 3.24Å; E26-K129 IonicContact OE1-NZ 2.85Å; E26-K129 PolarHBondContact OE1-NZ 3.33Å
27E92.1Very high92.7Very high65 Ų6538.5 Ų38.530%0.30423%0.227SC..EExtended strand (participates in β ladder)trans-130.4156.7-166-64.6171.7128.700112.2Q23 T24 F29 V88 L89Q23-E27 WeakPolarHBondContact CA-O 3.44Å; T24-E27 PolarHBondContact N-O 3.22Å; T24-E27 PolarHBondContact OG1-N 2.8Å; T24-E27 PolarHBondContact OG1-O 2.86Å; E27-F29 HydrophobicContact CB-CD2 4.41Å; E27-F29 HydrophobicContact CB-CE2 3.7Å; E27-F29 HydrophobicContact CB-CZ 3.93Å; E27-F29 WeakPolarHBondContact OE2-CZ 3.37Å; E27-V88 HydrophobicContact CB-CG1 4.29Å; E27-V88 HydrophobicContact CG-CG1 4.32Å; E27-L89 CarbonylContact C-O 3.52Å; E27-L89 VanDerWaalsContact CA-O 3.27Å; E27-L89 WeakPolarHBondContact CA-O 3.26Å
28V94.3Very high92.7Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-117.2128.5167.3-178.90000107.7W21 Q23 I30 L89 K91 W100 L103W21-V28 HydrophobicContact CE3-CG1 4.3Å; Q23-V28 HydrophobicContact CB-CG2 4.28Å; V28-I30 HydrophobicContact CG1-CG1 4.39Å; V28-L89 HydrophobicContact CB-CB 4.39Å; V28-L89 PolarHBondContact N-O 3Å; V28-L89 PolarHBondContact O-N 2.88Å; V28-K91 HydrophobicContact CG2-CD 4.24Å; V28-K91 HydrophobicContact CG2-CG 3.95Å; V28-W100 HydrophobicContact CG1-CE3 4.47Å; V28-W100 HydrophobicContact CG2-CD2 3.91Å; V28-W100 HydrophobicContact CG2-CE3 3.92Å; V28-W100 HydrophobicContact CG2-CH2 4.24Å; V28-W100 HydrophobicContact CG2-CZ2 4.25Å; V28-W100 HydrophobicContact CG2-CZ3 4.09Å; V28-L103 HydrophobicContact CG1-CD1 3.89Å
29F94.9Very high92.7Very high8 Ų837.4 Ų37.44%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-108.4131.5178.7-62.6-90.5000109.4E6 W21 Y22 T24 E27 I87 V88E6-F29 VanDerWaalsContact OE1-CE2 3.26Å; E6-F29 WeakPolarHBondContact OE1-CE2 3.39Å; W21-F29 CarbonylContact C-O 3.48Å; W21-F29 WeakPolarHBondContact CA-O 3.22Å; W21-F29 VanDerWaalsContact CB-O 3.3Å; W21-F29 WeakPolarHBondContact CB-O 3.38Å; Y22-F29 HydrophobicContact CD1-CB 4.15Å; Y22-F29 HydrophobicContact CD2-CB 3.72Å; Y22-F29 AromaticContact CD2-CD2 3.63Å; Y22-F29 HydrophobicContact CD2-CD2 3.63Å; Y22-F29 AromaticContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CE1-CB 3.8Å; Y22-F29 HydrophobicContact CE2-CB 3.33Å; Y22-F29 HydrophobicContact CE2-CD1 4.13Å; Y22-F29 AromaticContact CE2-CD2 3.34Å; Y22-F29 HydrophobicContact CE2-CD2 3.34Å; Y22-F29 HydrophobicContact CE2-CE2 4.16Å; Y22-F29 AromaticContact CE2-CG 3.32Å; Y22-F29 HydrophobicContact CE2-CG 3.32Å; Y22-F29 HydrophobicContact CG-CB 4.1Å; Y22-F29 AromaticContact CZ-CG 3.71Å; Y22-F29 PolarHBondContact N-O 2.84Å; Y22-F29 PolarHBondContact O-N 2.85Å; T24-F29 HydrophobicContact CG2-CE2 3.9Å; E27-F29 HydrophobicContact CB-CD2 4.41Å; E27-F29 HydrophobicContact CB-CE2 3.7Å; E27-F29 HydrophobicContact CB-CZ 3.93Å; E27-F29 WeakPolarHBondContact OE2-CZ 3.37Å; F29-I87 CarbonylContact C-O 3.49Å; F29-I87 WeakPolarHBondContact CA-O 3.43Å; F29-V88 HydrophobicContact CD1-CB 4.39Å; F29-V88 HydrophobicContact CD1-CG1 4.07Å; F29-V88 HydrophobicContact CD1-CG2 3.75Å; F29-V88 HydrophobicContact CE1-CB 4.33Å; F29-V88 HydrophobicContact CE1-CG1 3.65Å; F29-V88 HydrophobicContact CE1-CG2 3.79Å; F29-V88 HydrophobicContact CZ-CG1 4.16Å
30I95.8Very high92.5Very high0 Ų039.2 Ų39.20%022%0.22CC..EExtended strand (participates in β ladder)trans-124.9119.4178.1-45.2168.5000107.7W18 W21 V28 V32 L62 R86 I87 L89 L103W18-I30 HydrophobicContact CH2-CG2 3.4Å; W18-I30 VanDerWaalsContact CH2-CG2 3.4Å; W18-I30 HydrophobicContact CZ3-CG2 3.45Å; W18-I30 VanDerWaalsContact CZ3-CG2 3.45Å; W21-I30 HydrophobicContact CB-CG1 4.47Å; V28-I30 HydrophobicContact CG1-CG1 4.39Å; I30-V32 HydrophobicContact CG2-CG2 4.02Å; I30-L62 HydrophobicContact CD1-CD2 4.2Å; I30-L62 HydrophobicContact CG2-CD2 4.18Å; I30-R86 CarbonylContact O-C 3.44Å; I30-R86 WeakPolarHBondContact O-CA 3.5Å; I30-I87 HydrophobicContact CB-CB 4.09Å; I30-I87 HydrophobicContact CD1-CB 4.31Å; I30-I87 HydrophobicContact CD1-CG2 4.3Å; I30-I87 HydrophobicContact CG1-CB 4.49Å; I30-I87 PolarHBondContact N-O 3.46Å; I30-I87 PolarHBondContact O-N 2.62Å; I30-L89 HydrophobicContact CD1-CD1 3.97Å; I30-L103 HydrophobicContact CD1-CD1 3.74Å; I30-L103 HydrophobicContact CD1-CD2 4.14Å; I30-L103 HydrophobicContact CD1-CG 4.45Å; I30-L103 HydrophobicContact CG1-CD1 3.8Å; I30-L103 HydrophobicContact CG1-CD2 4.22Å; I30-L103 HydrophobicContact CG2-CD2 4.1Å
31E95.5Very high92.4Very high22 Ų2242.7 Ų42.710%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-112.3115.6179.8-71.8174.3-173.300109G19 Q20 Y22 M84 R86G19-E31 WeakPolarHBondContact CA-O 3.34Å; Q20-E31 HydrophobicContact CG-CB 4.02Å; Q20-E31 PolarHBondContact N-O 3.31Å; Q20-E31 PolarHBondContact NE2-OE2 2.72Å; Q20-E31 PolarHBondContact O-N 3.49Å; Y22-E31 HydrophobicContact CE1-CG 4.32Å; Y22-E31 VanDerWaalsContact CE1-OE1 3.22Å; Y22-E31 WeakPolarHBondContact CE1-OE1 3.39Å; Y22-E31 PolarHBondContact OH-OE1 2.89Å; E31-M84 HydrophobicContact CB-CG 4.47Å; E31-M84 HydrophobicContact CB-SD 4.03Å; E31-M84 HydrophobicContact CG-CE 4.4Å; E31-M84 HydrophobicContact CG-SD 4.07Å; E31-R86 HydrophobicContact CG-CG 4.18Å; E31-R86 IonicContact OE1-NE 3.21Å
32V95.8Very high92.3Very high0 Ų045 Ų450%025%0.249CC..EExtended strand (participates in β ladder)trans-114.3118.2-176.1-170.20000109.2W18 I30 V34 L54 I61 M84 V85W18-V32 HydrophobicContact CB-CG1 4.21Å; W18-V32 HydrophobicContact CD2-CG1 4.39Å; W18-V32 HydrophobicContact CE3-CB 4.05Å; W18-V32 HydrophobicContact CE3-CG1 3.93Å; W18-V32 HydrophobicContact CE3-CG2 3.59Å; W18-V32 HydrophobicContact CZ3-CG2 3.64Å; I30-V32 HydrophobicContact CG2-CG2 4.02Å; V32-V34 PolarHBondContact O-N 2.82Å; V32-L54 HydrophobicContact CB-CD2 3.87Å; V32-L54 HydrophobicContact CG1-CD2 3.89Å; V32-L54 HydrophobicContact CG2-CD2 3.54Å; V32-I61 HydrophobicContact CG1-CG2 3.54Å; V32-M84 CarbonylContact O-C 3.35Å; V32-M84 WeakPolarHBondContact O-CA 3.48Å; V32-V85 HydrophobicContact CB-CB 4.34Å; V32-V85 PolarHBondContact N-O 3.06Å; V32-V85 PolarHBondContact O-N 2.94Å
33Q94.8Very high92.4Very high111 Ų11145 Ų4552%0.51925%0.25SC..EExtended strand (participates in β ladder)trans-73.6126.9174.4-61.9-64.1-16.900109.4W18 K83W18-Q33 PolarHBondContact O-N 2.79Å; Q33-K83 PolarHBondContact OE1-O 2.99Å
34V93.7Very high92.6Very high11 Ų1151 Ų517%0.06728%0.278CS..  trans-121.3154.3-179.8-63.10000110.4V32 T38 V56 L79 K83 V85V32-V34 PolarHBondContact O-N 2.82Å; V34-T38 HydrophobicContact CB-CG2 4.34Å; V34-T38 HydrophobicContact CG2-CG2 4.06Å; V34-V56 HydrophobicContact CB-CG1 4.44Å; V34-V56 HydrophobicContact CG1-CG1 4.24Å; V34-V56 HydrophobicContact CG1-CG2 3.83Å; V34-L79 HydrophobicContact CG2-CD1 4.01Å; V34-K83 WeakPolarHBondContact CG2-O 3.48Å; V34-K83 PolarHBondContact N-O 3.16Å; V34-K83 VanDerWaalsContact O-O 3.07Å; V34-V85 HydrophobicContact CG1-CG2 3.75Å; V34-V85 HydrophobicContact CG2-CG2 4.24Å
35P91.6Very high92.9Very high90 Ų9052 Ų5258%0.58428%0.284SS*.  trans-53.3136.5178.2-27.536000112.1G37 T38P35-G37 PolarHBondContact O-N 2.82Å; P35-T38 WeakPolarHBondContact O-CB 3.3Å; P35-T38 PolarHBondContact O-N 2.83Å; P35-T38 VanDerWaalsContact O-N 3.09Å; P35-T38 PolarHBondContact O-OG1 3.46Å
36P90.8Very high93.2Very high123 Ų12353.2 Ų53.280%0.79930%0.299SS*.THydrogen-bonded Turntrans-55.5132.3177.9-26.234.1000111.7
37G89.1Confident93.5Very high46 Ų4652.5 Ų52.547%0.47430%0.297SS..THydrogen-bonded Turntrans91.62.4-177.600000114.3P35 R39 R82P35-G37 PolarHBondContact O-N 2.82Å; G37-R39 PolarHBondContact O-N 2.9Å; G37-R82 PolarHBondContact N-O 2.84Å
38T91.8Very high93.6Very high12 Ų1255.1 Ų55.17%0.07431%0.309CS..  trans-51.2134.4166.4-630000109.5V34 P35 I43 V56 L79 R82V34-T38 HydrophobicContact CB-CG2 4.34Å; V34-T38 HydrophobicContact CG2-CG2 4.06Å; P35-T38 WeakPolarHBondContact O-CB 3.3Å; P35-T38 PolarHBondContact O-N 2.83Å; P35-T38 VanDerWaalsContact O-N 3.09Å; P35-T38 PolarHBondContact O-OG1 3.46Å; T38-I43 HydrophobicContact CG2-CD1 4.19Å; T38-I43 HydrophobicContact CG2-CG1 4.02Å; T38-V56 HydrophobicContact CG2-CG1 3.61Å; T38-L79 WeakPolarHBondContact O-CD2 3.38Å; T38-R82 VanDerWaalsContact O-CB 3.3Å; T38-R82 WeakPolarHBondContact O-CB 3.21Å; T38-R82 WeakPolarHBondContact O-CG 3.36Å
39R93.1Very high93.6Very high122 Ų12257.7 Ų57.746%0.4633%0.327SS..  trans-109.1158.6175.6-60174.4-68.3-175.1-6109.8G37 Q41 D42G37-R39 PolarHBondContact O-N 2.9Å; R39-Q41 HydrophobicContact CB-CG 3.65Å; R39-Q41 VanDerWaalsContact CZ-NE2 3.28Å; R39-Q41 PolarHBondContact O-N 3.09Å; R39-D42 WeakPolarHBondContact CB-OD2 3.36Å; R39-D42 PolarHBondContact N-OD2 2.89Å; R39-D42 VanDerWaalsContact N-OD2 3.11Å; R39-D42 IonicContact NE-OD2 3.47Å; R39-D42 PolarHBondContact NE-OD2 3.18Å; R39-D42 IonicContact NH2-OD1 3.9Å; R39-D42 WeakPolarHBondContact O-CB 3.19Å; R39-D42 PolarHBondContact O-N 3.35Å
40A90.3Very high93.5Very high57 Ų5761.6 Ų61.647%0.47134%0.342SS..G310 helixtrans-55.7-34.817700000112.8D42 I43 W77A40-D42 PolarHBondContact O-N 3.33Å; A40-I43 WeakPolarHBondContact O-CB 3.34Å; A40-I43 PolarHBondContact O-N 2.79Å; A40-I43 VanDerWaalsContact O-N 3.09Å; A40-W77 HydrophobicContact CB-CH2 4.33Å
41Q92.9Very high93.5Very high138 Ų13865.6 Ų65.665%0.64536%0.36SS*.G310 helixtrans-63.3-22.7175.454.4162.281.800114.4R39 I43R39-Q41 HydrophobicContact CB-CG 3.65Å; R39-Q41 VanDerWaalsContact CZ-NE2 3.28Å; R39-Q41 PolarHBondContact O-N 3.09Å; Q41-I43 VanDerWaalsContact C-N 3.29Å
42D93.1Very high93.5Very high49 Ų4964.7 Ų64.726%0.26236%0.356SS..G310 helixtrans-88.5-6-179.9-50-44000110.4R39 A40 V56 G57R39-D42 WeakPolarHBondContact CB-OD2 3.36Å; R39-D42 PolarHBondContact N-OD2 2.89Å; R39-D42 VanDerWaalsContact N-OD2 3.11Å; R39-D42 IonicContact NE-OD2 3.47Å; R39-D42 PolarHBondContact NE-OD2 3.18Å; R39-D42 IonicContact NH2-OD1 3.9Å; R39-D42 WeakPolarHBondContact O-CB 3.19Å; R39-D42 PolarHBondContact O-N 3.35Å; A40-D42 PolarHBondContact O-N 3.33Å; D42-V56 CarbonylContact O-C 3.59Å; D42-V56 WeakPolarHBondContact O-CA 3.26Å; D42-G57 PolarHBondContact O-N 3.33Å
43I94.7Very high93.5Very high12 Ų1266.2 Ų66.26%0.06237%0.369CS..EExtended strand (participates in β ladder)trans-98.9127.6-178.2-61.8170.7000109.5T38 A40 Q41 C45 L54 V56 W77 L79 V85T38-I43 HydrophobicContact CG2-CD1 4.19Å; T38-I43 HydrophobicContact CG2-CG1 4.02Å; A40-I43 WeakPolarHBondContact O-CB 3.34Å; A40-I43 PolarHBondContact O-N 2.79Å; A40-I43 VanDerWaalsContact O-N 3.09Å; Q41-I43 VanDerWaalsContact C-N 3.29Å; I43-C45 HydrophobicContact CG2-CB 4.24Å; I43-L54 HydrophobicContact CG2-CD1 3.78Å; I43-V56 HydrophobicContact CG1-CG2 4.46Å; I43-W77 HydrophobicContact CB-CH2 4.16Å; I43-W77 HydrophobicContact CB-CZ3 4.17Å; I43-W77 HydrophobicContact CD1-CZ3 3.83Å; I43-W77 HydrophobicContact CG2-CE3 4.16Å; I43-W77 HydrophobicContact CG2-CH2 4.05Å; I43-W77 HydrophobicContact CG2-CZ2 4.47Å; I43-W77 HydrophobicContact CG2-CZ3 3.9Å; I43-L79 HydrophobicContact CD1-CB 3.96Å; I43-L79 HydrophobicContact CD1-CD1 3.95Å; I43-L79 HydrophobicContact CD1-CD2 3.87Å; I43-L79 HydrophobicContact CD1-CG 4.14Å; I43-V85 HydrophobicContact CD1-CG2 3.52Å; I43-V85 HydrophobicContact CG1-CG2 4.33Å
44Q95.5Very high93.5Very high137 Ų13761 Ų6164%0.6434%0.344SS*.EExtended strand (participates in β ladder)trans-116.1107.5166.3-66-175.4-52.700107.9L54 S55Q44-L54 WeakPolarHBondContact O-CA 3.2Å; Q44-S55 PolarHBondContact N-O 2.74Å; Q44-S55 PolarHBondContact O-N 3.42Å
45C95.2Very high93.6Very high29 Ų2961.5 Ų61.520%0.19635%0.349CS..EExtended strand (participates in β ladder)trans-117.1119.9178.1-169.90000109.6I43 L47 A53 L54 W77I43-C45 HydrophobicContact CG2-CB 4.24Å; C45-L47 VanDerWaalsContact SG-CD2 3.5Å; C45-A53 CarbonylContact C-O 3.51Å; C45-A53 WeakPolarHBondContact CA-O 3.26Å; C45-L54 HydrophobicContact CB-CD1 3.88Å; C45-W77 HydrophobicContact CB-CD2 4.1Å; C45-W77 HydrophobicContact CB-CG 3.85Å
46G94.4Very high93.7Very high34 Ų3458 Ų5835%0.35133%0.325SS..EExtended strand (participates in β ladder)trans-111.8112.2173.900000109.7A53G46-A53 PolarHBondContact N-O 3.14Å; G46-A53 PolarHBondContact O-N 2.79Å
47L95Very high93.7Very high36 Ų3655.1 Ų55.119%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-107124.9176.7-52.9-177.3000108.6C45 V52 I87 L89C45-L47 VanDerWaalsContact SG-CD2 3.5Å; L47-V52 HydrophobicContact CD2-CG2 3.81Å; L47-I87 HydrophobicContact CD1-CG2 4.02Å; L47-I87 HydrophobicContact CD2-CG2 3.77Å; L47-L89 HydrophobicContact CB-CD2 4.47Å; L47-L89 HydrophobicContact CD1-CD2 3.99Å; L47-L89 HydrophobicContact CD2-CD2 3.97Å; L47-L89 HydrophobicContact CG-CD2 4.36Å
48Q94.3Very high93.7Very high120 Ų12056.3 Ų56.356%0.56133%0.33SS*.EExtended strand (participates in β ladder)trans-131.8164176.3-60.8-178.61.700109.1R50 H51 T70Q48-R50 PolarHBondContact O-N 3.47Å; Q48-H51 HydrophobicContact CB-CB 4.16Å; Q48-H51 PolarHBondContact N-O 3.05Å; Q48-H51 PolarHBondContact O-N 2.91Å; Q48-T70 PolarHBondContact O-OG1 3.04Å
49S92.7Very high93.8Very high55 Ų5564.7 Ų64.739%0.38536%0.361SS..THydrogen-bonded Turntrans-54.7-32.6-174.8-178.40000113.2S69 T70S49-S69 CarbonylContact O-C 3.54Å; S49-S69 VanDerWaalsContact O-CA 3.31Å; S49-S69 WeakPolarHBondContact O-CA 3.1Å; S49-T70 VanDerWaalsContact CA-O 3.24Å; S49-T70 WeakPolarHBondContact CA-O 3.16Å; S49-T70 WeakPolarHBondContact CB-O 3.32Å; S49-T70 PolarHBondContact O-N 3.18Å; S49-T70 PolarHBondContact O-OG1 2.89Å; S49-T70 PolarHBondContact OG-O 3.45Å
50R94.3Very high93.8Very high89 Ų8964 Ų6434%0.33636%0.363SS..THydrogen-bonded Turntrans-130.613.2177.9-154.8160.7-178.4-129.5-11.4114.5Q48 K65 L66 F67 E105Q48-R50 PolarHBondContact O-N 3.47Å; R50-K65 HydrophobicContact CG-CG 4.12Å; R50-K65 CarbonylContact O-C 3.57Å; R50-K65 WeakPolarHBondContact O-CA 3.34Å; R50-K65 WeakPolarHBondContact O-CG 3.25Å; R50-L66 PolarHBondContact O-N 3.2Å; R50-F67 PolarHBondContact NH2-O 3.12Å; R50-E105 IonicContact NH2-OE1 2.62Å; R50-E105 PolarHBondContact NH2-OE1 3.3Å
51H94.8Very high94Very high85 Ų8563.2 Ų63.239%0.39435%0.35SS..EExtended strand (participates in β ladder)trans-139.6145.2-179.8-66.487000110.6Q48 G64Q48-H51 HydrophobicContact CB-CB 4.16Å; Q48-H51 PolarHBondContact N-O 3.05Å; Q48-H51 PolarHBondContact O-N 2.91Å; H51-G64 WeakPolarHBondContact CA-O 3.43Å
52V95.6Very high94Very high2 Ų256.7 Ų56.71%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-127.6139.4171.961.50000108.5L47 L62 K63 G64 L66 I87 L104L47-V52 HydrophobicContact CD2-CG2 3.81Å; V52-L62 HydrophobicContact CG1-CD2 3.95Å; V52-L62 HydrophobicContact CG1-CG 4.12Å; V52-L62 HydrophobicContact CG2-CD2 4.01Å; V52-K63 WeakPolarHBondContact O-CA 3.41Å; V52-G64 PolarHBondContact N-O 2.89Å; V52-G64 PolarHBondContact O-N 3.05Å; V52-L66 HydrophobicContact CB-CD2 4.01Å; V52-L66 HydrophobicContact CB-CG 4.46Å; V52-L66 HydrophobicContact CG1-CD2 3.62Å; V52-L66 HydrophobicContact CG1-CG 4.31Å; V52-I87 HydrophobicContact CG2-CD1 4.45Å; V52-L104 HydrophobicContact CG1-CD2 3.72Å
53A95.6Very high94Very high33 Ų3360.2 Ų60.227%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-138.4129.1171.300000109.1C45 G46 L62 K63C45-A53 CarbonylContact C-O 3.51Å; C45-A53 WeakPolarHBondContact CA-O 3.26Å; G46-A53 PolarHBondContact N-O 3.14Å; G46-A53 PolarHBondContact O-N 2.79Å; A53-L62 CarbonylContact C-O 3.54Å; A53-L62 WeakPolarHBondContact CA-O 3.2Å; A53-K63 HydrophobicContact CB-CG 4.25Å
54L95.6Very high94Very high0 Ų060.6 Ų60.60%034%0.34CS..EExtended strand (participates in β ladder)trans-134.3122.5175-179.971.1000109V32 I43 Q44 C45 V56 I61 L62 V85 I87V32-L54 HydrophobicContact CB-CD2 3.87Å; V32-L54 HydrophobicContact CG1-CD2 3.89Å; V32-L54 HydrophobicContact CG2-CD2 3.54Å; I43-L54 HydrophobicContact CG2-CD1 3.78Å; Q44-L54 WeakPolarHBondContact O-CA 3.2Å; C45-L54 HydrophobicContact CB-CD1 3.88Å; L54-V56 HydrophobicContact CG-CG2 4.47Å; L54-I61 PolarHBondContact O-N 2.84Å; L54-L62 HydrophobicContact CB-CB 4.24Å; L54-L62 PolarHBondContact N-O 2.93Å; L54-L62 PolarHBondContact O-N 3.2Å; L54-V85 HydrophobicContact CD1-CG1 4.15Å; L54-V85 HydrophobicContact CD2-CG1 4.31Å; L54-I87 HydrophobicContact CB-CD1 4.4Å; L54-I87 HydrophobicContact CD1-CD1 4.47Å; L54-I87 HydrophobicContact CD2-CD1 4.15Å
55S95.1Very high94Very high22 Ų2257.1 Ų57.115%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-126.9141.2173.2-60.30000110Q44 R59Q44-S55 PolarHBondContact N-O 2.74Å; Q44-S55 PolarHBondContact O-N 3.42Å; S55-R59 CarbonylContact C-O 3.5Å; S55-R59 WeakPolarHBondContact CA-O 3.32Å
56V94.4Very high94Very high16 Ų1655.8 Ų55.810%0.09731%0.314CS..EExtended strand (participates in β ladder)trans-129.1122-178.9-175.60000108.8V34 T38 D42 I43 L54 G58 R59 I61V34-V56 HydrophobicContact CB-CG1 4.44Å; V34-V56 HydrophobicContact CG1-CG1 4.24Å; V34-V56 HydrophobicContact CG1-CG2 3.83Å; T38-V56 HydrophobicContact CG2-CG1 3.61Å; D42-V56 CarbonylContact O-C 3.59Å; D42-V56 WeakPolarHBondContact O-CA 3.26Å; I43-V56 HydrophobicContact CG1-CG2 4.46Å; L54-V56 HydrophobicContact CG-CG2 4.47Å; V56-G58 PolarHBondContact O-N 3.32Å; V56-R59 PolarHBondContact N-O 2.83Å; V56-R59 PolarHBondContact O-N 2.83Å; V56-I61 HydrophobicContact CB-CG1 4.3Å; V56-I61 HydrophobicContact CG2-CG1 4.05Å
57G90.8Very high94Very high64 Ų6457.2 Ų57.266%0.6631%0.31SS*.THydrogen-bonded Turntrans58.530.3-177.600000113.5D42 R59D42-G57 PolarHBondContact O-N 3.33Å; G57-R59 VanDerWaalsContact C-N 3.31Å; G57-R59 PolarHBondContact O-N 2.81Å
58G89.5Confident93.9Very high70 Ų7056.7 Ų56.772%0.72231%0.308SS*.THydrogen-bonded Turntrans81.6-1.2-17600000115.3V56V56-G58 PolarHBondContact O-N 3.32Å
59R92.1Very high93.8Very high189 Ų18952.2 Ų52.271%0.71329%0.29SS*.EExtended strand (participates in β ladder)trans-94.4124.7172.5-177178.8174.1-176.8-2.2110.2S55 V56 G57 I61S55-R59 CarbonylContact C-O 3.5Å; S55-R59 WeakPolarHBondContact CA-O 3.32Å; V56-R59 PolarHBondContact N-O 2.83Å; V56-R59 PolarHBondContact O-N 2.83Å; G57-R59 VanDerWaalsContact C-N 3.31Å; G57-R59 PolarHBondContact O-N 2.81Å; R59-I61 HydrophobicContact CG-CD1 4.13Å; R59-I61 PolarHBondContact O-N 2.92Å
60E94.3Very high93.8Very high106 Ų10649.7 Ų49.750%0.49527%0.272SS..EExtended strand (participates in β ladder)trans-70.2124.3172.9-164.5174.899.200109.6K63E60-K63 HydrophobicContact CG-CB 3.94Å; E60-K63 HydrophobicContact CG-CD 4.27Å; E60-K63 WeakPolarHBondContact OE1-CB 3.3Å; E60-K63 WeakPolarHBondContact OE1-CD 3.36Å; E60-K63 WeakPolarHBondContact OE2-CD 3.14Å; E60-K63 IonicContact OE2-NZ 3.72Å; E60-K63 PolarHBondContact OE2-NZ 2.85Å
61I93.3Very high93.8Very high41 Ų4148.1 Ų48.121%0.2127%0.269CS..EExtended strand (participates in β ladder)trans-105.6-44.2-178.7-53.8-62000110.6W18 V32 L54 V56 R59W18-I61 HydrophobicContact CB-CG2 3.65Å; W18-I61 HydrophobicContact CD2-CG2 4.43Å; W18-I61 HydrophobicContact CG-CG2 3.8Å; V32-I61 HydrophobicContact CG1-CG2 3.54Å; L54-I61 PolarHBondContact O-N 2.84Å; V56-I61 HydrophobicContact CB-CG1 4.3Å; V56-I61 HydrophobicContact CG2-CG1 4.05Å; R59-I61 HydrophobicContact CG-CD1 4.13Å; R59-I61 PolarHBondContact O-N 2.92Å
62L93.1Very high93.5Very high1 Ų145.7 Ų45.71%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-139.5127.4180170.667.1000108.2W18 I30 V52 A53 L54 L103 L104 Y108W18-L62 HydrophobicContact CH2-CD2 4.35Å; W18-L62 HydrophobicContact CZ2-CD1 3.85Å; W18-L62 HydrophobicContact CZ2-CD2 4.33Å; W18-L62 HydrophobicContact CZ2-CG 4.47Å; I30-L62 HydrophobicContact CD1-CD2 4.2Å; I30-L62 HydrophobicContact CG2-CD2 4.18Å; V52-L62 HydrophobicContact CG1-CD2 3.95Å; V52-L62 HydrophobicContact CG1-CG 4.12Å; V52-L62 HydrophobicContact CG2-CD2 4.01Å; A53-L62 CarbonylContact C-O 3.54Å; A53-L62 WeakPolarHBondContact CA-O 3.2Å; L54-L62 HydrophobicContact CB-CB 4.24Å; L54-L62 PolarHBondContact N-O 2.93Å; L54-L62 PolarHBondContact O-N 3.2Å; L62-L103 HydrophobicContact CD1-CD2 4.3Å; L62-L103 HydrophobicContact CD2-CD2 4.24Å; L62-L104 HydrophobicContact CD1-CD1 3.83Å; L62-L104 HydrophobicContact CD1-CD2 4.44Å; L62-L104 HydrophobicContact CD1-CG 4.29Å; L62-Y108 HydrophobicContact CD1-CD2 4.25Å; L62-Y108 HydrophobicContact CD1-CE2 3.66Å
63K94.4Very high93.2Very high123 Ų12353.3 Ų53.354%0.53531%0.305SS..EExtended strand (participates in β ladder)trans-153.7132.5169.7-178.4177.3177.8-173.60110.8V52 A53 E60V52-K63 WeakPolarHBondContact O-CA 3.41Å; A53-K63 HydrophobicContact CB-CG 4.25Å; E60-K63 HydrophobicContact CG-CB 3.94Å; E60-K63 HydrophobicContact CG-CD 4.27Å; E60-K63 WeakPolarHBondContact OE1-CB 3.3Å; E60-K63 WeakPolarHBondContact OE1-CD 3.36Å; E60-K63 WeakPolarHBondContact OE2-CD 3.14Å; E60-K63 IonicContact OE2-NZ 3.72Å; E60-K63 PolarHBondContact OE2-NZ 2.85Å
64G94.3Very high93Very high20 Ų2056.6 Ų56.621%0.20631%0.314CS..EExtended strand (participates in β ladder)trans165.4-170.5170.200000113.1H51 V52H51-G64 WeakPolarHBondContact CA-O 3.43Å; V52-G64 PolarHBondContact N-O 2.89Å; V52-G64 PolarHBondContact O-N 3.05Å
65K95.6Very high92.8Very high65 Ų6557.4 Ų57.428%0.28332%0.323SS..EExtended strand (participates in β ladder)trans-88.5126.5179.6-173.4174.1162.1-149.90109.5R50 L104 E105R50-K65 HydrophobicContact CG-CG 4.12Å; R50-K65 CarbonylContact O-C 3.57Å; R50-K65 WeakPolarHBondContact O-CA 3.34Å; R50-K65 WeakPolarHBondContact O-CG 3.25Å; K65-L104 CarbonylContact O-C 3.58Å; K65-L104 VanDerWaalsContact O-CA 3.24Å; K65-L104 WeakPolarHBondContact O-CA 3.5Å; K65-L104 WeakPolarHBondContact O-CB 3.27Å; K65-E105 VanDerWaalsContact CD-OE2 3.31Å; K65-E105 WeakPolarHBondContact CD-OE2 3.49Å; K65-E105 VanDerWaalsContact CE-OE2 3.31Å; K65-E105 WeakPolarHBondContact CE-OE2 3.4Å; K65-E105 VanDerWaalsContact NZ-CD 3.29Å; K65-E105 IonicContact NZ-OE1 2.91Å; K65-E105 PolarHBondContact NZ-OE1 2.86Å; K65-E105 IonicContact NZ-OE2 2.78Å; K65-E105 PolarHBondContact NZ-OE2 3.02Å; K65-E105 PolarHBondContact O-N 2.82Å
66L95.3Very high92.8Very high1 Ų160 Ų601%0.00534%0.338CS..BIsolated β-bridgetrans-64.3152.7178.1-65.7170.2000110.6R50 V52 D68 T70 L89 W100 L104R50-L66 PolarHBondContact O-N 3.2Å; V52-L66 HydrophobicContact CB-CD2 4.01Å; V52-L66 HydrophobicContact CB-CG 4.46Å; V52-L66 HydrophobicContact CG1-CD2 3.62Å; V52-L66 HydrophobicContact CG1-CG 4.31Å; L66-D68 WeakPolarHBondContact CB-O 3.27Å; L66-T70 HydrophobicContact CD1-CG2 3.89Å; L66-L89 HydrophobicContact CD1-CD1 4.02Å; L66-L89 HydrophobicContact CD2-CD1 3.88Å; L66-W100 HydrophobicContact CB-CH2 3.83Å; L66-W100 HydrophobicContact CB-CZ3 4.09Å; L66-W100 HydrophobicContact CD1-CH2 4.31Å; L66-W100 HydrophobicContact CD2-CH2 4.16Å; L66-W100 HydrophobicContact CD2-CZ3 3.97Å; L66-W100 HydrophobicContact CG-CH2 4.32Å; L66-L104 HydrophobicContact CD2-CD2 4.29Å
67F93.6Very high92.9Very high63 Ų6363.6 Ų63.628%0.27635%0.35SS..SBendtrans-54.7-54177.2178.9-97.7000112.1R50 W100 T101 S102 L103R50-F67 PolarHBondContact NH2-O 3.12Å; F67-W100 HydrophobicContact CB-CD2 3.92Å; F67-W100 HydrophobicContact CB-CE3 3.75Å; F67-W100 HydrophobicContact CB-CG 4.32Å; F67-W100 HydrophobicContact CB-CZ3 4.2Å; F67-W100 HydrophobicContact CD1-CB 3.96Å; F67-W100 AromaticContact CD1-CD1 3.81Å; F67-W100 HydrophobicContact CD1-CD2 4.04Å; F67-W100 AromaticContact CD1-CG 3.67Å; F67-W100 HydrophobicContact CD1-CG 3.67Å; F67-W100 HydrophobicContact CE1-CG 4.43Å; F67-W100 HydrophobicContact CG-CB 4.41Å; F67-W100 HydrophobicContact CG-CD2 4.41Å; F67-W100 HydrophobicContact CG-CG 4.32Å; F67-T101 VanDerWaalsContact CE2-OG1 3.24Å; F67-T101 WeakPolarHBondContact CE2-OG1 3.47Å; F67-S102 VanDerWaalsContact CB-O 3.25Å; F67-S102 WeakPolarHBondContact CB-O 3.36Å; F67-S102 WeakPolarHBondContact CD2-OG 3.41Å; F67-L103 PolarHBondContact N-O 2.91Å
68D92.8Very high93.1Very high26 Ų2663.6 Ų63.614%0.13934%0.337CS..SBendtrans-128.4177.7171.5-152.1-24.6000110.6L66 K93 N98 W100L66-D68 WeakPolarHBondContact CB-O 3.27Å; D68-K93 IonicContact OD1-NZ 3.87Å; D68-K93 IonicContact OD2-NZ 3.18Å; D68-K93 PolarHBondContact OD2-NZ 2.92Å; D68-N98 PolarHBondContact OD2-OD1 3.11Å; D68-W100 HydrophobicContact CB-CZ2 4.08Å; D68-W100 WeakPolarHBondContact O-CH2 3.36Å; D68-W100 WeakPolarHBondContact O-CZ2 3.44Å
69S92.4Very high93.4Very high26 Ų2662.3 Ų62.318%0.18231%0.314CS..  trans-71.1144.6178.355.80000113.2S49 T92S49-S69 CarbonylContact O-C 3.54Å; S49-S69 VanDerWaalsContact O-CA 3.31Å; S49-S69 WeakPolarHBondContact O-CA 3.1Å; S69-T92 PolarHBondContact O-N 2.79Å; S69-T92 VanDerWaalsContact O-N 3.11Å; S69-T92 PolarHBondContact O-OG1 2.83Å; S69-T92 PolarHBondContact OG-OG1 3.33Å
70T93.5Very high93.4Very high2 Ų256.8 Ų56.81%0.01230%0.296CS..BIsolated β-bridgetrans-124.9158.2176.257.40000109.5Q48 S49 L66 A72 L89 T90 T92 W100Q48-T70 PolarHBondContact O-OG1 3.04Å; S49-T70 VanDerWaalsContact CA-O 3.24Å; S49-T70 WeakPolarHBondContact CA-O 3.16Å; S49-T70 WeakPolarHBondContact CB-O 3.32Å; S49-T70 PolarHBondContact O-N 3.18Å; S49-T70 PolarHBondContact O-OG1 2.89Å; S49-T70 PolarHBondContact OG-O 3.45Å; L66-T70 HydrophobicContact CD1-CG2 3.89Å; T70-A72 PolarHBondContact O-N 3.26Å; T70-L89 HydrophobicContact CG2-CB 3.92Å; T70-L89 HydrophobicContact CG2-CD1 4.38Å; T70-T90 CarbonylContact C-O 3.5Å; T70-T90 WeakPolarHBondContact CA-O 3.4Å; T70-T90 WeakPolarHBondContact CB-O 3.4Å; T70-T92 PolarHBondContact N-OG1 2.96Å; T70-W100 HydrophobicContact CG2-CH2 3.71Å; T70-W100 HydrophobicContact CG2-CZ2 3.88Å
71I92.8Very high93.2Very high55 Ų5557.8 Ų57.828%0.28231%0.305SS..  trans-82.599173.6-58.8164.7000106.6D73 E74 G75 T90I71-D73 PolarHBondContact O-N 2.99Å; I71-E74 HydrophobicContact CB-CB 4.37Å; I71-E74 HydrophobicContact CB-CG 4.43Å; I71-E74 HydrophobicContact CG2-CB 4.14Å; I71-E74 HydrophobicContact CG2-CG 3.78Å; I71-E74 PolarHBondContact O-N 2.74Å; I71-E74 VanDerWaalsContact O-N 3.09Å; I71-G75 PolarHBondContact O-N 2.91Å; I71-T90 HydrophobicContact CD1-CG2 4.04Å; I71-T90 PolarHBondContact N-O 3.43Å
72A88.8Confident92.9Very high35 Ų3563.1 Ų63.129%0.28932%0.322SS..G310 helixtrans-55.6-37.8-172.700000112.9T70 E74 G75T70-A72 PolarHBondContact O-N 3.26Å; A72-E74 PolarHBondContact O-N 2.98Å; A72-G75 PolarHBondContact O-N 3.24Å
73D89.7Confident92.7Very high161 Ų16167.7 Ų67.786%0.86134%0.342SS*.G310 helixtrans-71.2-18.4-176.1-62.3-17.5000113.2I71I71-D73 PolarHBondContact O-N 2.99Å
74E91.1Very high92.7Very high102 Ų10263 Ų6348%0.47732%0.322SS..G310 helixtrans-99.6-6.3176.2-64.9-176.1-175.400112.5I71 A72 T76 T90I71-E74 HydrophobicContact CB-CB 4.37Å; I71-E74 HydrophobicContact CB-CG 4.43Å; I71-E74 HydrophobicContact CG2-CB 4.14Å; I71-E74 HydrophobicContact CG2-CG 3.78Å; I71-E74 PolarHBondContact O-N 2.74Å; I71-E74 VanDerWaalsContact O-N 3.09Å; A72-E74 PolarHBondContact O-N 2.98Å; E74-T76 PolarHBondContact O-N 3.28Å; E74-T90 VanDerWaalsContact CB-OG1 3.3Å; E74-T90 WeakPolarHBondContact CB-OG1 3.49Å; E74-T90 VanDerWaalsContact OE2-CB 3.27Å; E74-T90 WeakPolarHBondContact OE2-CB 3.38Å; E74-T90 VanDerWaalsContact OE2-CG2 3.25Å; E74-T90 WeakPolarHBondContact OE2-CG2 3.39Å; E74-T90 PolarHBondContact OE2-OG1 2.87Å
75G92Very high92.8Very high18 Ų1862 Ų6219%0.18631%0.312CS..  trans-65124.3174.900000110.9I71 A72 V88I71-G75 PolarHBondContact O-N 2.91Å; A72-G75 PolarHBondContact O-N 3.24Å; G75-V88 CarbonylContact C-O 3.55Å; G75-V88 WeakPolarHBondContact CA-O 3.33Å
76T95.3Very high92.8Very high77 Ų7761.9 Ų61.947%0.47231%0.31SS..EExtended strand (participates in β ladder)trans-124.6154.5177.560.40000111.2E74 I87 V88E74-T76 PolarHBondContact O-N 3.28Å; T76-I87 CarbonylContact O-C 3.27Å; T76-I87 WeakPolarHBondContact O-CA 3.32Å; T76-V88 PolarHBondContact N-O 3.45Å; T76-V88 PolarHBondContact O-N 2.92Å
77W95.9Very high92.8Very high90 Ų9061.8 Ų61.834%0.34131%0.31SS..EExtended strand (participates in β ladder)trans-135.4143.9169.368.1-90.8000109.9A40 I43 C45 V85 R86 I87A40-W77 HydrophobicContact CB-CH2 4.33Å; I43-W77 HydrophobicContact CB-CH2 4.16Å; I43-W77 HydrophobicContact CB-CZ3 4.17Å; I43-W77 HydrophobicContact CD1-CZ3 3.83Å; I43-W77 HydrophobicContact CG2-CE3 4.16Å; I43-W77 HydrophobicContact CG2-CH2 4.05Å; I43-W77 HydrophobicContact CG2-CZ2 4.47Å; I43-W77 HydrophobicContact CG2-CZ3 3.9Å; C45-W77 HydrophobicContact CB-CD2 4.1Å; C45-W77 HydrophobicContact CB-CG 3.85Å; W77-V85 HydrophobicContact CE3-CG1 4.49Å; W77-R86 CarbonylContact C-O 3.59Å; W77-R86 VanDerWaalsContact CA-O 3.22Å; W77-R86 WeakPolarHBondContact CA-O 3.24Å; W77-I87 HydrophobicContact CB-CG1 3.96Å
78T95.5Very high92.9Very high64 Ų6459.7 Ų59.739%0.39330%0.302SS..EExtended strand (participates in β ladder)trans-131.4151.717859.10000109.7V85 R86T78-V85 CarbonylContact O-C 3.52Å; T78-V85 VanDerWaalsContact O-CA 3.31Å; T78-V85 WeakPolarHBondContact O-CA 3.2Å; T78-R86 PolarHBondContact N-O 3.24Å; T78-R86 PolarHBondContact O-N 3.07Å
79L95.1Very high93Very high43 Ų4358.6 Ų58.623%0.22530%0.296CS..EExtended strand (participates in β ladder)trans-108.5111.6171.1173.263.8000108.2V34 T38 I43 M84 V85V34-L79 HydrophobicContact CG2-CD1 4.01Å; T38-L79 WeakPolarHBondContact O-CD2 3.38Å; I43-L79 HydrophobicContact CD1-CB 3.96Å; I43-L79 HydrophobicContact CD1-CD1 3.95Å; I43-L79 HydrophobicContact CD1-CD2 3.87Å; I43-L79 HydrophobicContact CD1-CG 4.14Å; L79-M84 CarbonylContact C-O 3.49Å; L79-V85 HydrophobicContact CD1-CG2 3.94Å
80E92Very high93Very high73 Ų7357.9 Ų57.934%0.34129%0.291SS..EExtended strand (participates in β ladder)trans-97.9129.8-178.4-62.2-173.7-168.100110.3R82 K83 M84 R86E80-R82 PolarHBondContact O-N 2.61Å; E80-K83 PolarHBondContact O-N 2.92Å; E80-M84 HydrophobicContact CB-CE 4.15Å; E80-M84 HydrophobicContact CG-CE 4.31Å; E80-M84 PolarHBondContact N-O 2.77Å; E80-M84 PolarHBondContact O-N 3.01Å; E80-M84 VanDerWaalsContact O-N 3.09Å; E80-M84 WeakPolarHBondContact OE2-CE 3.46Å; E80-R86 VanDerWaalsContact OE1-CD 3.22Å; E80-R86 WeakPolarHBondContact OE1-CD 2.94Å
81D89.9Confident93Very high128 Ų12857.8 Ų57.868%0.68429%0.29SS*.THydrogen-bonded Turntrans49.719.4177.7-66-23.4000115.8K83D81-K83 HydrophobicContact CB-CD 3.8Å; D81-K83 HydrophobicContact CB-CG 3.94Å; D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 WeakPolarHBondContact OD2-CE 2.93Å; D81-K83 IonicContact OD2-NZ 3.04Å; D81-K83 PolarHBondContact OD2-NZ 3.09Å
82R87Confident92.9Very high152 Ų15258.6 Ų58.657%0.57430%0.298SS*.THydrogen-bonded Turntrans54.927.1-172.8-56.3-173.8-175.5-173.71.7114.1G37 T38 E80G37-R82 PolarHBondContact N-O 2.84Å; T38-R82 VanDerWaalsContact O-CB 3.3Å; T38-R82 WeakPolarHBondContact O-CB 3.21Å; T38-R82 WeakPolarHBondContact O-CG 3.36Å; E80-R82 PolarHBondContact O-N 2.61Å
83K90.9Very high92.8Very high98 Ų9861.6 Ų61.643%0.42630%0.304SS..THydrogen-bonded Turntrans-135.6-17.5-17875.9-168-179.4-155.50113.4Q33 V34 E80 D81Q33-K83 PolarHBondContact OE1-O 2.99Å; V34-K83 WeakPolarHBondContact CG2-O 3.48Å; V34-K83 PolarHBondContact N-O 3.16Å; V34-K83 VanDerWaalsContact O-O 3.07Å; E80-K83 PolarHBondContact O-N 2.92Å; D81-K83 HydrophobicContact CB-CD 3.8Å; D81-K83 HydrophobicContact CB-CG 3.94Å; D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 WeakPolarHBondContact OD2-CE 2.93Å; D81-K83 IonicContact OD2-NZ 3.04Å; D81-K83 PolarHBondContact OD2-NZ 3.09Å
84M93.5Very high92.4Very high23 Ų2360.2 Ų60.211%0.11329%0.287CS..EExtended strand (participates in β ladder)trans-139.1131-178.9-173.8-179.675.800110.6E31 V32 L79 E80 R86E31-M84 HydrophobicContact CB-CG 4.47Å; E31-M84 HydrophobicContact CB-SD 4.03Å; E31-M84 HydrophobicContact CG-CE 4.4Å; E31-M84 HydrophobicContact CG-SD 4.07Å; V32-M84 CarbonylContact O-C 3.35Å; V32-M84 WeakPolarHBondContact O-CA 3.48Å; L79-M84 CarbonylContact C-O 3.49Å; E80-M84 HydrophobicContact CB-CE 4.15Å; E80-M84 HydrophobicContact CG-CE 4.31Å; E80-M84 PolarHBondContact N-O 2.77Å; E80-M84 PolarHBondContact O-N 3.01Å; E80-M84 VanDerWaalsContact O-N 3.09Å; E80-M84 WeakPolarHBondContact OE2-CE 3.46Å; M84-R86 HydrophobicContact CE-CB 4.46Å
85V95.6Very high91.8Very high0 Ų060.1 Ų60.10%029%0.29CS..EExtended strand (participates in β ladder)trans-97.3122.6168.5178.90000108V32 V34 I43 L54 W77 T78 L79 I87V32-V85 HydrophobicContact CB-CB 4.34Å; V32-V85 PolarHBondContact N-O 3.06Å; V32-V85 PolarHBondContact O-N 2.94Å; V34-V85 HydrophobicContact CG1-CG2 3.75Å; V34-V85 HydrophobicContact CG2-CG2 4.24Å; I43-V85 HydrophobicContact CD1-CG2 3.52Å; I43-V85 HydrophobicContact CG1-CG2 4.33Å; L54-V85 HydrophobicContact CD1-CG1 4.15Å; L54-V85 HydrophobicContact CD2-CG1 4.31Å; W77-V85 HydrophobicContact CE3-CG1 4.49Å; T78-V85 CarbonylContact O-C 3.52Å; T78-V85 VanDerWaalsContact O-CA 3.31Å; T78-V85 WeakPolarHBondContact O-CA 3.2Å; L79-V85 HydrophobicContact CD1-CG2 3.94Å; V85-I87 HydrophobicContact CG1-CG1 4.2Å
86R95.5Very high90.8Very high62 Ų6259.3 Ų59.323%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-106.3121.2175.3-168.7174-168.5-131.8-1.6108.6Y22 I30 E31 W77 T78 E80 M84Y22-R86 PolarHBondContact OH-NH2 3.14Å; I30-R86 CarbonylContact O-C 3.44Å; I30-R86 WeakPolarHBondContact O-CA 3.5Å; E31-R86 HydrophobicContact CG-CG 4.18Å; E31-R86 IonicContact OE1-NE 3.21Å; W77-R86 CarbonylContact C-O 3.59Å; W77-R86 VanDerWaalsContact CA-O 3.22Å; W77-R86 WeakPolarHBondContact CA-O 3.24Å; T78-R86 PolarHBondContact N-O 3.24Å; T78-R86 PolarHBondContact O-N 3.07Å; E80-R86 VanDerWaalsContact OE1-CD 3.22Å; E80-R86 WeakPolarHBondContact OE1-CD 2.94Å; M84-R86 HydrophobicContact CE-CB 4.46Å
87I96Very high90Very high0 Ų058.5 Ų58.50%028%0.282CS..EExtended strand (participates in β ladder)trans-108.5132.7174.4-55168.9000107.4F29 I30 L47 V52 L54 T76 W77 V85 L89F29-I87 CarbonylContact C-O 3.49Å; F29-I87 WeakPolarHBondContact CA-O 3.43Å; I30-I87 HydrophobicContact CB-CB 4.09Å; I30-I87 HydrophobicContact CD1-CB 4.31Å; I30-I87 HydrophobicContact CD1-CG2 4.3Å; I30-I87 HydrophobicContact CG1-CB 4.49Å; I30-I87 PolarHBondContact N-O 3.46Å; I30-I87 PolarHBondContact O-N 2.62Å; L47-I87 HydrophobicContact CD1-CG2 4.02Å; L47-I87 HydrophobicContact CD2-CG2 3.77Å; V52-I87 HydrophobicContact CG2-CD1 4.45Å; L54-I87 HydrophobicContact CB-CD1 4.4Å; L54-I87 HydrophobicContact CD1-CD1 4.47Å; L54-I87 HydrophobicContact CD2-CD1 4.15Å; T76-I87 CarbonylContact O-C 3.27Å; T76-I87 WeakPolarHBondContact O-CA 3.32Å; W77-I87 HydrophobicContact CB-CG1 3.96Å; V85-I87 HydrophobicContact CG1-CG1 4.2Å; I87-L89 HydrophobicContact CG2-CD2 3.81Å; I87-L89 HydrophobicContact CG2-CG 4.06Å
88V95.4Very high89.3Confident18 Ų1855.1 Ų55.111%0.10927%0.271CS..EExtended strand (participates in β ladder)trans-118.8123.5175.7-171.20000107.8E27 F29 G75 T76E27-V88 HydrophobicContact CB-CG1 4.29Å; E27-V88 HydrophobicContact CG-CG1 4.32Å; F29-V88 HydrophobicContact CD1-CB 4.39Å; F29-V88 HydrophobicContact CD1-CG1 4.07Å; F29-V88 HydrophobicContact CD1-CG2 3.75Å; F29-V88 HydrophobicContact CE1-CB 4.33Å; F29-V88 HydrophobicContact CE1-CG1 3.65Å; F29-V88 HydrophobicContact CE1-CG2 3.79Å; F29-V88 HydrophobicContact CZ-CG1 4.16Å; G75-V88 CarbonylContact C-O 3.55Å; G75-V88 WeakPolarHBondContact CA-O 3.33Å; T76-V88 PolarHBondContact N-O 3.45Å; T76-V88 PolarHBondContact O-N 2.92Å
89L94.6Very high88.9Confident3 Ų352.6 Ų52.62%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-119.5123.2179.1-55176.5000109.8E27 V28 I30 L47 L66 T70 I87E27-L89 CarbonylContact C-O 3.52Å; E27-L89 VanDerWaalsContact CA-O 3.27Å; E27-L89 WeakPolarHBondContact CA-O 3.26Å; V28-L89 HydrophobicContact CB-CB 4.39Å; V28-L89 PolarHBondContact N-O 3Å; V28-L89 PolarHBondContact O-N 2.88Å; I30-L89 HydrophobicContact CD1-CD1 3.97Å; L47-L89 HydrophobicContact CB-CD2 4.47Å; L47-L89 HydrophobicContact CD1-CD2 3.99Å; L47-L89 HydrophobicContact CD2-CD2 3.97Å; L47-L89 HydrophobicContact CG-CD2 4.36Å; L66-L89 HydrophobicContact CD1-CD1 4.02Å; L66-L89 HydrophobicContact CD2-CD1 3.88Å; T70-L89 HydrophobicContact CG2-CB 3.92Å; T70-L89 HydrophobicContact CG2-CD1 4.38Å; I87-L89 HydrophobicContact CG2-CD2 3.81Å; I87-L89 HydrophobicContact CG2-CG 4.06Å
90T93.1Very high88.8Confident11 Ų1150.6 Ų50.67%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-78125.8171.9-44.30000110.5T70 I71 E74T70-T90 CarbonylContact C-O 3.5Å; T70-T90 WeakPolarHBondContact CA-O 3.4Å; T70-T90 WeakPolarHBondContact CB-O 3.4Å; I71-T90 HydrophobicContact CD1-CG2 4.04Å; I71-T90 PolarHBondContact N-O 3.43Å; E74-T90 VanDerWaalsContact CB-OG1 3.3Å; E74-T90 WeakPolarHBondContact CB-OG1 3.49Å; E74-T90 VanDerWaalsContact OE2-CB 3.27Å; E74-T90 WeakPolarHBondContact OE2-CB 3.38Å; E74-T90 VanDerWaalsContact OE2-CG2 3.25Å; E74-T90 WeakPolarHBondContact OE2-CG2 3.39Å; E74-T90 PolarHBondContact OE2-OG1 2.87Å
91K92.5Very high88.8Confident1 Ų149.5 Ų49.50%0.00424%0.244CC..BIsolated β-bridgetrans-70.7138.2174.6-63172.6177.8177.90110.4T24 E26 V28 K93 R94 W100T24-K91 PolarHBondContact O-NZ 2.8Å; E26-K91 WeakPolarHBondContact O-CB 3.37Å; E26-K91 PolarHBondContact O-N 3.01Å; V28-K91 HydrophobicContact CG2-CD 4.24Å; V28-K91 HydrophobicContact CG2-CG 3.95Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K91-R94 WeakPolarHBondContact O-CG 3.37Å; K91-W100 HydrophobicContact CG-CZ2 4.43Å
92T90.8Very high89Confident71 Ų7143.8 Ų43.844%0.43621%0.214SC..SBendtrans-67.9-37.1172.9-52.40000111.5S69 T70S69-T92 PolarHBondContact O-N 2.79Å; S69-T92 VanDerWaalsContact O-N 3.11Å; S69-T92 PolarHBondContact O-OG1 2.83Å; S69-T92 PolarHBondContact OG-OG1 3.33Å; T70-T92 PolarHBondContact N-OG1 2.96Å
93K86.9Confident89.2Confident99 Ų9936.5 Ų36.543%0.4319%0.186SC..  trans-105.9113.1176-58.8174.3-163.7147.40109.6D68 K91 N98D68-K93 IonicContact OD1-NZ 3.87Å; D68-K93 IonicContact OD2-NZ 3.18Å; D68-K93 PolarHBondContact OD2-NZ 2.92Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K93-N98 HydrophobicContact CB-CB 4.24Å; K93-N98 PolarHBondContact O-ND2 3.27Å
94R82.4Confident89.4Confident131 Ų13132 Ų3249%0.49417%0.167SC..  trans-105.145.9-172.9-59.6-176.2-76.5172.1-9.6112.1L25 E26 K91L25-R94 WeakPolarHBondContact O-CA 3.43Å; E26-R94 HydrophobicContact CB-CG 4.3Å; E26-R94 HydrophobicContact CG-CB 4.34Å; E26-R94 HydrophobicContact CG-CG 4.33Å; E26-R94 IonicContact OE2-CZ 3.41Å; E26-R94 IonicContact OE2-NH1 2.78Å; E26-R94 PolarHBondContact OE2-NH1 3.24Å; K91-R94 WeakPolarHBondContact O-CG 3.37Å
95D76.9Confident89.2Confident101 Ų10136 Ų3654%0.5419%0.185SC..  trans-107.9147-178.8-59.7-46.8000110.5A97 N98D95-A97 HydrophobicContact CB-CB 4.49Å; D95-A97 PolarHBondContact O-N 3.38Å; D95-A97 VanDerWaalsContact O-N 3.13Å; D95-N98 WeakPolarHBondContact O-CA 3.24Å; D95-N98 WeakPolarHBondContact O-CB 3.45Å; D95-N98 PolarHBondContact O-N 2.78Å
96A72.3Confident88.6Confident1 Ų141.1 Ų41.11%0.00822%0.221CC..THydrogen-bonded Turntrans-62.1-20.4173.800000112.9L25 N98 Q119 R126 G148L25-A96 VanDerWaalsContact CD2-CA 3.47Å; L25-A96 HydrophobicContact CD2-CB 3.75Å; A96-N98 VanDerWaalsContact C-N 3.27Å; A96-Q119 PolarHBondContact O-NE2 2.97Å; A96-R126 HydrophobicContact CB-CB 4.08Å; A96-R126 HydrophobicContact CB-CG 4.48Å; A96-G148 VanDerWaalsContact CB-CA 3.49Å
97A77.1Confident88.3Confident60 Ų6042.7 Ų42.750%0.49623%0.231SC..THydrogen-bonded Turntrans-70.7-23.1171.400000112.9D95 C99 K147D95-A97 HydrophobicContact CB-CB 4.49Å; D95-A97 PolarHBondContact O-N 3.38Å; D95-A97 VanDerWaalsContact O-N 3.13Å; A97-C99 VanDerWaalsContact C-N 3.26Å; A97-C99 PolarHBondContact O-N 3.28Å; A97-K147 HydrophobicContact CB-CB 4.37Å; A97-K147 WeakPolarHBondContact CB-O 3.31Å
98N83.1Confident88Confident18 Ų1845.2 Ų45.210%0.09624%0.241CC..  trans-92.450.5178.6-164.645.1000111.6D68 K93 D95 A96 W100D68-N98 PolarHBondContact OD2-OD1 3.11Å; K93-N98 HydrophobicContact CB-CB 4.24Å; K93-N98 PolarHBondContact O-ND2 3.27Å; D95-N98 WeakPolarHBondContact O-CA 3.24Å; D95-N98 WeakPolarHBondContact O-CB 3.45Å; D95-N98 PolarHBondContact O-N 2.78Å; A96-N98 VanDerWaalsContact C-N 3.27Å; N98-W100 PolarHBondContact O-N 3.17Å
99C87.1Confident87.8Confident12 Ų1247.5 Ų47.58%0.08126%0.262CS..  trans-73.8118.1168.8-177.40000108.8A97 T101 L122A97-C99 VanDerWaalsContact C-N 3.26Å; A97-C99 PolarHBondContact O-N 3.28Å; C99-T101 PolarHBondContact O-N 3.44Å; C99-L122 HydrophobicContact CB-CD1 3.48Å; C99-L122 VanDerWaalsContact CB-CD1 3.48Å; C99-L122 WeakPolarHBondContact SG-CD1 3.31Å
100W91.8Very high87.6Confident0 Ų047.6 Ų47.60%026%0.263CS..  trans-71.1120.6175.9-71.927.8000108.5W21 Q23 V28 L66 F67 D68 T70 K91 N98 S102 L103W21-W100 HydrophobicContact CH2-CB 4.43Å; W21-W100 WeakPolarHBondContact CH2-O 3.43Å; W21-W100 HydrophobicContact CZ3-CB 4.34Å; Q23-W100 PolarHBondContact NE2-O 2.72Å; V28-W100 HydrophobicContact CG1-CE3 4.47Å; V28-W100 HydrophobicContact CG2-CD2 3.91Å; V28-W100 HydrophobicContact CG2-CE3 3.92Å; V28-W100 HydrophobicContact CG2-CH2 4.24Å; V28-W100 HydrophobicContact CG2-CZ2 4.25Å; V28-W100 HydrophobicContact CG2-CZ3 4.09Å; L66-W100 HydrophobicContact CB-CH2 3.83Å; L66-W100 HydrophobicContact CB-CZ3 4.09Å; L66-W100 HydrophobicContact CD1-CH2 4.31Å; L66-W100 HydrophobicContact CD2-CH2 4.16Å; L66-W100 HydrophobicContact CD2-CZ3 3.97Å; L66-W100 HydrophobicContact CG-CH2 4.32Å; F67-W100 HydrophobicContact CB-CD2 3.92Å; F67-W100 HydrophobicContact CB-CE3 3.75Å; F67-W100 HydrophobicContact CB-CG 4.32Å; F67-W100 HydrophobicContact CB-CZ3 4.2Å; F67-W100 HydrophobicContact CD1-CB 3.96Å; F67-W100 AromaticContact CD1-CD1 3.81Å; F67-W100 HydrophobicContact CD1-CD2 4.04Å; F67-W100 AromaticContact CD1-CG 3.67Å; F67-W100 HydrophobicContact CD1-CG 3.67Å; F67-W100 HydrophobicContact CE1-CG 4.43Å; F67-W100 HydrophobicContact CG-CB 4.41Å; F67-W100 HydrophobicContact CG-CD2 4.41Å; F67-W100 HydrophobicContact CG-CG 4.32Å; D68-W100 HydrophobicContact CB-CZ2 4.08Å; D68-W100 WeakPolarHBondContact O-CH2 3.36Å; D68-W100 WeakPolarHBondContact O-CZ2 3.44Å; T70-W100 HydrophobicContact CG2-CH2 3.71Å; T70-W100 HydrophobicContact CG2-CZ2 3.88Å; K91-W100 HydrophobicContact CG-CZ2 4.43Å; N98-W100 PolarHBondContact O-N 3.17Å; W100-S102 VanDerWaalsContact C-N 3.33Å; W100-L103 HydrophobicContact CZ3-CD1 4.49Å
101T91.8Very high87.4Confident50 Ų5052.5 Ų52.531%0.30729%0.289SS..SBendtrans-83.4-17.8177.254.10000112.1F67 C99 A110 Q115F67-T101 VanDerWaalsContact CE2-OG1 3.24Å; F67-T101 WeakPolarHBondContact CE2-OG1 3.47Å; C99-T101 PolarHBondContact O-N 3.44Å; T101-A110 PolarHBondContact O-N 2.9Å; T101-Q115 HydrophobicContact CG2-CG 4.39Å
102S93.8Very high87.1Confident8 Ų857.5 Ų57.56%0.05632%0.321CS..BIsolated β-bridgetrans-144158175.362.70000110.6F67 W100 L104 Y108 A109F67-S102 VanDerWaalsContact CB-O 3.25Å; F67-S102 WeakPolarHBondContact CB-O 3.36Å; F67-S102 WeakPolarHBondContact CD2-OG 3.41Å; W100-S102 VanDerWaalsContact C-N 3.33Å; S102-L104 VanDerWaalsContact CB-O 3.27Å; S102-L104 WeakPolarHBondContact CB-O 3.44Å; S102-L104 PolarHBondContact OG-O 2.87Å; S102-Y108 WeakPolarHBondContact CA-O 3.34Å; S102-A109 VanDerWaalsContact CB-CA 3.48Å
103L92.9Very high87Confident0 Ų062.3 Ų62.30%033%0.332CS..SBendtrans-72.6-44.6173-178.261.3000111.4W18 W21 V28 I30 L62 F67 W100 Y108W18-L103 HydrophobicContact CH2-CD2 3.75Å; W18-L103 HydrophobicContact CZ2-CD2 4.03Å; W21-L103 HydrophobicContact CB-CD1 4.4Å; W21-L103 HydrophobicContact CB-CD2 4.24Å; W21-L103 HydrophobicContact CD2-CB 3.97Å; W21-L103 HydrophobicContact CD2-CD1 4.4Å; W21-L103 HydrophobicContact CG-CB 4.03Å; W21-L103 HydrophobicContact CG-CD1 4.33Å; W21-L103 HydrophobicContact CG-CD2 4.16Å; W21-L103 HydrophobicContact CG-CG 4.41Å; W21-L103 HydrophobicContact CZ2-CB 4.49Å; V28-L103 HydrophobicContact CG1-CD1 3.89Å; I30-L103 HydrophobicContact CD1-CD1 3.74Å; I30-L103 HydrophobicContact CD1-CD2 4.14Å; I30-L103 HydrophobicContact CD1-CG 4.45Å; I30-L103 HydrophobicContact CG1-CD1 3.8Å; I30-L103 HydrophobicContact CG1-CD2 4.22Å; I30-L103 HydrophobicContact CG2-CD2 4.1Å; L62-L103 HydrophobicContact CD1-CD2 4.3Å; L62-L103 HydrophobicContact CD2-CD2 4.24Å; F67-L103 PolarHBondContact N-O 2.91Å; W100-L103 HydrophobicContact CZ3-CD1 4.49Å; L103-Y108 PolarHBondContact N-O 2.99Å
104L93.6Very high87.1Confident2 Ų258.6 Ų58.61%0.0132%0.317CS..BIsolated β-bridgetrans-112.9155.9177.5-58.4-175.3000110.4V52 L62 K65 L66 S102 S106 E107 Y108V52-L104 HydrophobicContact CG1-CD2 3.72Å; L62-L104 HydrophobicContact CD1-CD1 3.83Å; L62-L104 HydrophobicContact CD1-CD2 4.44Å; L62-L104 HydrophobicContact CD1-CG 4.29Å; K65-L104 CarbonylContact O-C 3.58Å; K65-L104 VanDerWaalsContact O-CA 3.24Å; K65-L104 WeakPolarHBondContact O-CA 3.5Å; K65-L104 WeakPolarHBondContact O-CB 3.27Å; L66-L104 HydrophobicContact CD2-CD2 4.29Å; S102-L104 VanDerWaalsContact CB-O 3.27Å; S102-L104 WeakPolarHBondContact CB-O 3.44Å; S102-L104 PolarHBondContact OG-O 2.87Å; L104-S106 PolarHBondContact O-N 3.11Å; L104-S106 VanDerWaalsContact O-N 3.12Å; L104-E107 HydrophobicContact CB-CB 4.2Å; L104-E107 HydrophobicContact CD1-CB 4.23Å; L104-E107 PolarHBondContact N-O 3.48Å; L104-E107 VanDerWaalsContact N-O 3.17Å; L104-E107 PolarHBondContact O-N 2.89Å; L104-E107 VanDerWaalsContact O-O 3.08Å; L104-Y108 HydrophobicContact CB-CD2 4.46Å; L104-Y108 HydrophobicContact CD1-CD2 3.85Å; L104-Y108 HydrophobicContact CD1-CE2 3.66Å; L104-Y108 HydrophobicContact CG-CD2 3.92Å; L104-Y108 HydrophobicContact CG-CE2 4.24Å
105E90.3Very high87.3Confident107 Ų10755.1 Ų55.150%0.531%0.307SS..SBendtrans-57.8-29.3-179-168.9173.6-128.200112.8R50 K65R50-E105 IonicContact NH2-OE1 2.62Å; R50-E105 PolarHBondContact NH2-OE1 3.3Å; K65-E105 VanDerWaalsContact CD-OE2 3.31Å; K65-E105 WeakPolarHBondContact CD-OE2 3.49Å; K65-E105 VanDerWaalsContact CE-OE2 3.31Å; K65-E105 WeakPolarHBondContact CE-OE2 3.4Å; K65-E105 VanDerWaalsContact NZ-CD 3.29Å; K65-E105 IonicContact NZ-OE1 2.91Å; K65-E105 PolarHBondContact NZ-OE1 2.86Å; K65-E105 IonicContact NZ-OE2 2.78Å; K65-E105 PolarHBondContact NZ-OE2 3.02Å; K65-E105 PolarHBondContact O-N 2.82Å
106S82.9Confident87.8Confident109 Ų10952.6 Ų52.676%0.76229%0.293SS*.SBendtrans-120.8-2.1-177.859.80000115L104L104-S106 PolarHBondContact O-N 3.11Å; L104-S106 VanDerWaalsContact O-N 3.12Å
107E88.6Confident88.5Confident95 Ų9555.4 Ų55.444%0.44431%0.306SS..SBendtrans-145.3160-173.1-71.8-172.1-176.900113.1L104 A109L104-E107 HydrophobicContact CB-CB 4.2Å; L104-E107 HydrophobicContact CD1-CB 4.23Å; L104-E107 PolarHBondContact N-O 3.48Å; L104-E107 VanDerWaalsContact N-O 3.17Å; L104-E107 PolarHBondContact O-N 2.89Å; L104-E107 VanDerWaalsContact O-O 3.08Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.44Å
108Y90.4Very high89.1Confident53 Ų5352.8 Ų52.821%0.20828%0.283CS..  trans57.741.9177.7-44.8-71.6000113T16 W18 W21 L62 S102 L103 L104T16-Y108 HydrophobicContact CG2-CD1 3.51Å; T16-Y108 HydrophobicContact CG2-CE1 4.28Å; T16-Y108 HydrophobicContact CG2-CG 4.04Å; W18-Y108 AromaticContact CE2-CE1 3.89Å; W18-Y108 AromaticContact CE2-CZ 3.97Å; W18-Y108 HydrophobicContact CZ2-CD1 4.2Å; W18-Y108 HydrophobicContact CZ2-CD2 4.39Å; W18-Y108 HydrophobicContact CZ2-CE1 4.02Å; W18-Y108 HydrophobicContact CZ2-CE2 4.23Å; W18-Y108 HydrophobicContact CZ2-CG 4.38Å; W18-Y108 AromaticContact NE1-CE1 3.29Å; W18-Y108 VanDerWaalsContact NE1-CE1 3.29Å; W18-Y108 AromaticContact NE1-CZ 3.26Å; W18-Y108 VanDerWaalsContact NE1-CZ 3.26Å; W18-Y108 PolarHBondContact NE1-OH 3.26Å; W18-Y108 VanDerWaalsContact NE1-OH 3.12Å; W21-Y108 PolarHBondContact NE1-O 2.76Å; L62-Y108 HydrophobicContact CD1-CD2 4.25Å; L62-Y108 HydrophobicContact CD1-CE2 3.66Å; S102-Y108 WeakPolarHBondContact CA-O 3.34Å; L103-Y108 PolarHBondContact N-O 2.99Å; L104-Y108 HydrophobicContact CB-CD2 4.46Å; L104-Y108 HydrophobicContact CD1-CD2 3.85Å; L104-Y108 HydrophobicContact CD1-CE2 3.66Å; L104-Y108 HydrophobicContact CG-CD2 3.92Å; L104-Y108 HydrophobicContact CG-CE2 4.24Å
109A91.3Very high89.2Confident66 Ų6653.2 Ų53.255%0.54529%0.285SS..BIsolated β-bridgetrans-67133169.600000110.2S102 E107S102-A109 VanDerWaalsContact CB-CA 3.48Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.44Å
110A89.6Confident89.1Confident4 Ų457.4 Ų57.43%0.03330%0.299CS..PPolyproline II helixtrans-70.8145.917100000109.5C14 W21 T101 V114 Q115 M118C14-A110 HydrophobicContact CB-CB 4.24Å; W21-A110 HydrophobicContact CZ2-CB 4.27Å; T101-A110 PolarHBondContact O-N 2.9Å; A110-V114 HydrophobicContact CB-CB 4.06Å; A110-V114 HydrophobicContact CB-CG1 3.87Å; A110-Q115 HydrophobicContact CB-CG 3.78Å; A110-Q115 PolarHBondContact O-NE2 3.24Å; A110-M118 HydrophobicContact CB-SD 4.42Å
111D89.2Confident88.8Confident114 Ų11458.5 Ų58.561%0.6130%0.304SS*.PPolyproline II helixtrans-62.1154.4173.8-67.9-60.5000111W113 V114 Q115D111-W113 PolarHBondContact O-N 3.45Å; D111-V114 HydrophobicContact CB-CG2 4.34Å; D111-V114 WeakPolarHBondContact O-CA 3.33Å; D111-V114 PolarHBondContact O-N 2.92Å; D111-Q115 WeakPolarHBondContact O-CG 3.33Å; D111-Q115 PolarHBondContact O-N 3.4Å
112P87.3Confident88.5Confident106 Ų10656.2 Ų56.269%0.68829%0.29SS*.Hα-helixtrans-52.4-34.1-178.1-28.835.4000114.2D116P112-D116 WeakPolarHBondContact O-CB 3.5Å; P112-D116 PolarHBondContact O-N 2.96Å; P112-D116 VanDerWaalsContact O-N 3.08Å
113W87.5Confident88.1Confident173 Ų17356.3 Ų56.366%0.65529%0.29SS*.Hα-helixtrans-71.3-40.6176.5-172.275.9000112.7D111 D116 Q117D111-W113 PolarHBondContact O-N 3.45Å; W113-D116 WeakPolarHBondContact O-CB 3.49Å; W113-D116 PolarHBondContact O-N 3.4Å; W113-Q117 HydrophobicContact CD2-CG 4.47Å; W113-Q117 VanDerWaalsContact CE3-OE1 3.23Å; W113-Q117 VanDerWaalsContact CH2-CD 3.42Å; W113-Q117 HydrophobicContact CZ2-CG 4.41Å; W113-Q117 VanDerWaalsContact CZ3-CD 3.49Å; W113-Q117 WeakPolarHBondContact O-CG 3.43Å; W113-Q117 PolarHBondContact O-N 2.87Å
114V88.8Confident87.7Confident21 Ų2157.1 Ų57.113%0.12729%0.294CS..Hα-helixtrans-68.3-40176.6178.70000110.3V12 C14 A110 D111 D116 Q117 M118V12-V114 HydrophobicContact CG1-CG1 3.91Å; C14-V114 HydrophobicContact CB-CG1 4.46Å; A110-V114 HydrophobicContact CB-CB 4.06Å; A110-V114 HydrophobicContact CB-CG1 3.87Å; D111-V114 HydrophobicContact CB-CG2 4.34Å; D111-V114 WeakPolarHBondContact O-CA 3.33Å; D111-V114 PolarHBondContact O-N 2.92Å; V114-D116 VanDerWaalsContact C-N 3.31Å; V114-D116 PolarHBondContact O-N 3.37Å; V114-Q117 PolarHBondContact O-N 3.49Å; V114-M118 HydrophobicContact CG1-CE 3.95Å; V114-M118 HydrophobicContact CG1-CG 4.44Å; V114-M118 HydrophobicContact CG1-SD 4.38Å; V114-M118 WeakPolarHBondContact O-CB 3.44Å; V114-M118 WeakPolarHBondContact O-CG 3.43Å; V114-M118 PolarHBondContact O-N 3.39Å
115Q87.8Confident87.2Confident58 Ų5858.5 Ų58.527%0.27130%0.301SS..Hα-helixtrans-58.7-43.5173.3-67.8-178.220.100111.7T101 A110 D111 M118 Q119T101-Q115 HydrophobicContact CG2-CG 4.39Å; A110-Q115 HydrophobicContact CB-CG 3.78Å; A110-Q115 PolarHBondContact O-NE2 3.24Å; D111-Q115 WeakPolarHBondContact O-CG 3.33Å; D111-Q115 PolarHBondContact O-N 3.4Å; Q115-M118 PolarHBondContact O-N 3.31Å; Q115-Q119 WeakPolarHBondContact O-CB 3.45Å; Q115-Q119 PolarHBondContact O-N 3.49Å
116D87.3Confident86.8Confident47 Ų4756.3 Ų56.325%0.25129%0.288SS..Hα-helixtrans-60.5-46.3176.7-169.769.5000111.7P112 W113 V114 Q119 R120 Y145P112-D116 WeakPolarHBondContact O-CB 3.5Å; P112-D116 PolarHBondContact O-N 2.96Å; P112-D116 VanDerWaalsContact O-N 3.08Å; W113-D116 WeakPolarHBondContact O-CB 3.49Å; W113-D116 PolarHBondContact O-N 3.4Å; V114-D116 VanDerWaalsContact C-N 3.31Å; V114-D116 PolarHBondContact O-N 3.37Å; D116-Q119 PolarHBondContact O-N 3.22Å; D116-R120 WeakPolarHBondContact O-CG 3.35Å; D116-R120 PolarHBondContact O-N 3.46Å; D116-R120 IonicContact OD2-CZ 2.8Å; D116-R120 IonicContact OD2-NE 3.51Å; D116-R120 PolarHBondContact OD2-NE 3.48Å; D116-R120 IonicContact OD2-NH2 2.71Å; D116-R120 PolarHBondContact OD2-NH2 3.5Å; D116-Y145 VanDerWaalsContact OD1-CE2 3.22Å; D116-Y145 WeakPolarHBondContact OD1-CE2 3.08Å; D116-Y145 VanDerWaalsContact OD1-CZ 3.25Å; D116-Y145 PolarHBondContact OD1-OH 2.91Å; D116-Y145 PolarHBondContact OD2-OH 2.99Å
117Q86.9Confident86.8Confident61 Ų6154 Ų5429%0.28526%0.264SS..Hα-helixtrans-63.2-43.2176.2-70.9-175.4-57.400112.7V12 W113 V114 Q119 R120 K121V12-Q117 HydrophobicContact CG1-CB 3.8Å; V12-Q117 HydrophobicContact CG2-CB 4.07Å; W113-Q117 HydrophobicContact CD2-CG 4.47Å; W113-Q117 VanDerWaalsContact CE3-OE1 3.23Å; W113-Q117 VanDerWaalsContact CH2-CD 3.42Å; W113-Q117 HydrophobicContact CZ2-CG 4.41Å; W113-Q117 VanDerWaalsContact CZ3-CD 3.49Å; W113-Q117 WeakPolarHBondContact O-CG 3.43Å; W113-Q117 PolarHBondContact O-N 2.87Å; V114-Q117 PolarHBondContact O-N 3.49Å; Q117-Q119 VanDerWaalsContact C-N 3.34Å; Q117-Q119 PolarHBondContact O-N 3.16Å; Q117-R120 PolarHBondContact O-N 2.92Å; Q117-K121 WeakPolarHBondContact O-CB 3.25Å; Q117-K121 PolarHBondContact O-N 2.86Å
118M88.7Confident86.5Confident4 Ų451.2 Ų51.22%0.0225%0.251CS..Hα-helixtrans-59.4-46.5174.9-74.1-179.8171.500110.7V12 C14 W21 Q23 A110 V114 Q115 R120 K121 L122V12-M118 HydrophobicContact CB-CG 4.04Å; V12-M118 HydrophobicContact CG1-CG 3.74Å; V12-M118 WeakPolarHBondContact O-CE 3.37Å; C14-M118 HydrophobicContact CB-CE 3.83Å; W21-M118 HydrophobicContact CE3-CE 4.46Å; W21-M118 HydrophobicContact CH2-CE 3.99Å; W21-M118 HydrophobicContact CH2-SD 4.02Å; W21-M118 HydrophobicContact CZ2-CE 4.36Å; W21-M118 HydrophobicContact CZ3-CE 4.04Å; W21-M118 HydrophobicContact CZ3-SD 4.28Å; Q23-M118 PolarHBondContact NE2-SD 2.91Å; A110-M118 HydrophobicContact CB-SD 4.42Å; V114-M118 HydrophobicContact CG1-CE 3.95Å; V114-M118 HydrophobicContact CG1-CG 4.44Å; V114-M118 HydrophobicContact CG1-SD 4.38Å; V114-M118 WeakPolarHBondContact O-CB 3.44Å; V114-M118 WeakPolarHBondContact O-CG 3.43Å; V114-M118 PolarHBondContact O-N 3.39Å; Q115-M118 PolarHBondContact O-N 3.31Å; M118-R120 PolarHBondContact O-N 2.99Å; M118-K121 WeakPolarHBondContact O-CB 3.27Å; M118-K121 PolarHBondContact O-N 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.32Å; M118-L122 WeakPolarHBondContact O-CD1 3.44Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 2.85Å
119Q86.4Confident86Confident28 Ų2855.2 Ų55.213%0.13127%0.27CS..Hα-helixtrans-61.9-44.5178.7-174.464.851.900112.1A96 Q115 D116 Q117 K121 L122 T123 Y145 G148A96-Q119 PolarHBondContact O-NE2 2.97Å; Q115-Q119 WeakPolarHBondContact O-CB 3.45Å; Q115-Q119 PolarHBondContact O-N 3.49Å; D116-Q119 PolarHBondContact O-N 3.22Å; Q117-Q119 VanDerWaalsContact C-N 3.34Å; Q117-Q119 PolarHBondContact O-N 3.16Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 2.75Å; Q119-L122 PolarHBondContact O-N 3.26Å; Q119-T123 WeakPolarHBondContact O-CB 3.31Å; Q119-T123 PolarHBondContact O-N 3.43Å; Q119-T123 PolarHBondContact O-OG1 3.41Å; Q119-Y145 HydrophobicContact CB-CD2 4.44Å; Q119-Y145 HydrophobicContact CG-CD2 3.91Å; Q119-Y145 HydrophobicContact CG-CE2 4.43Å; Q119-G148 VanDerWaalsContact NE2-N 3.14Å
120R85.3Confident85.6Confident100 Ų10056.4 Ų56.438%0.37726%0.264SS..Hα-helixtrans-59.2-45175.3-72.9-179.3-170.1-177.76.5110.9D116 Q117 M118 T123 L124 I141 Y145D116-R120 WeakPolarHBondContact O-CG 3.35Å; D116-R120 PolarHBondContact O-N 3.46Å; D116-R120 IonicContact OD2-CZ 2.8Å; D116-R120 IonicContact OD2-NE 3.51Å; D116-R120 PolarHBondContact OD2-NE 3.48Å; D116-R120 IonicContact OD2-NH2 2.71Å; D116-R120 PolarHBondContact OD2-NH2 3.5Å; Q117-R120 PolarHBondContact O-N 2.92Å; M118-R120 PolarHBondContact O-N 2.99Å; R120-T123 PolarHBondContact O-N 3.32Å; R120-L124 WeakPolarHBondContact O-CB 3.37Å; R120-L124 PolarHBondContact O-N 3.44Å; R120-I141 HydrophobicContact CG-CG2 4.33Å; R120-Y145 HydrophobicContact CG-CD1 4.2Å; R120-Y145 HydrophobicContact CG-CD2 3.8Å; R120-Y145 HydrophobicContact CG-CE1 3.97Å; R120-Y145 HydrophobicContact CG-CE2 3.54Å; R120-Y145 HydrophobicContact CG-CG 4.14Å; R120-Y145 PolarHBondContact NE-OH 3.39Å; R120-Y145 PolarHBondContact NH2-OH 3.36Å
121K84.9Confident85.2Confident23 Ų2358.6 Ų58.610%0.128%0.275CS..Hα-helixtrans-63.3-47.6-179.7-166.6-173.1-16872.70112.5F5 S9 G10 V12 Q117 M118 Q119 T123 L124 E125F5-K121 HydrophobicContact CE1-CG 4.15Å; S9-K121 PolarHBondContact O-NZ 2.9Å; S9-K121 PolarHBondContact OG-NZ 3.25Å; G10-K121 WeakPolarHBondContact O-CE 3.49Å; G10-K121 PolarHBondContact O-NZ 3.13Å; V12-K121 HydrophobicContact CG2-CD 4.08Å; Q117-K121 WeakPolarHBondContact O-CB 3.25Å; Q117-K121 PolarHBondContact O-N 2.86Å; M118-K121 WeakPolarHBondContact O-CB 3.27Å; M118-K121 PolarHBondContact O-N 3.31Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 2.75Å; K121-T123 VanDerWaalsContact C-N 3.27Å; K121-T123 PolarHBondContact O-N 2.63Å; K121-L124 WeakPolarHBondContact O-CB 3.42Å; K121-L124 PolarHBondContact O-N 3.28Å; K121-L124 VanDerWaalsContact O-N 3.16Å; K121-E125 WeakPolarHBondContact O-CB 3.44Å; K121-E125 PolarHBondContact O-N 2.8Å
122L85.7Confident84.6Confident2 Ų258.9 Ų58.91%0.0128%0.283CS..Hα-helixtrans-60.3-39.6176.6-74156.1000111.6Q23 T24 L25 C99 M118 Q119 E125 R126Q23-L122 HydrophobicContact CG-CD1 4.31Å; T24-L122 VanDerWaalsContact O-CD2 3.26Å; T24-L122 WeakPolarHBondContact O-CD2 3.33Å; L25-L122 HydrophobicContact CB-CD2 4.38Å; L25-L122 HydrophobicContact CD2-CB 4.19Å; L25-L122 HydrophobicContact CD2-CD2 3.85Å; L25-L122 HydrophobicContact CG-CD2 4.02Å; L25-L122 VanDerWaalsContact N-CD2 3.28Å; C99-L122 HydrophobicContact CB-CD1 3.48Å; C99-L122 VanDerWaalsContact CB-CD1 3.48Å; C99-L122 WeakPolarHBondContact SG-CD1 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.32Å; M118-L122 WeakPolarHBondContact O-CD1 3.44Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 2.85Å; Q119-L122 PolarHBondContact O-N 3.26Å; L122-E125 PolarHBondContact O-N 3.39Å; L122-R126 WeakPolarHBondContact O-CB 3.41Å; L122-R126 PolarHBondContact O-N 2.71Å
123T85.1Confident84.1Confident10 Ų1057.3 Ų57.36%0.06129%0.286CS..Hα-helixtrans-65.9-40.7176.5-52.40000111.1Q119 R120 K121 R126 F127 I141Q119-T123 WeakPolarHBondContact O-CB 3.31Å; Q119-T123 PolarHBondContact O-N 3.43Å; Q119-T123 PolarHBondContact O-OG1 3.41Å; R120-T123 PolarHBondContact O-N 3.32Å; K121-T123 VanDerWaalsContact C-N 3.27Å; K121-T123 PolarHBondContact O-N 2.63Å; T123-R126 PolarHBondContact O-N 3.04Å; T123-F127 WeakPolarHBondContact O-CB 3.49Å; T123-F127 PolarHBondContact O-N 2.7Å; T123-I141 HydrophobicContact CG2-CD1 3.71Å
124L83.9Confident83.4Confident16 Ų1655.5 Ų55.58%0.08428%0.283CS..Hα-helixtrans-65.7-44.1176.7-172.365.9000111.8F5 R120 K121 R126 F127 Q128 F136 A139 I141F5-L124 HydrophobicContact CE2-CG 4.45Å; F5-L124 HydrophobicContact CZ-CB 4.35Å; F5-L124 HydrophobicContact CZ-CD2 4.08Å; F5-L124 HydrophobicContact CZ-CG 4.11Å; R120-L124 WeakPolarHBondContact O-CB 3.37Å; R120-L124 PolarHBondContact O-N 3.44Å; K121-L124 WeakPolarHBondContact O-CB 3.42Å; K121-L124 PolarHBondContact O-N 3.28Å; K121-L124 VanDerWaalsContact O-N 3.16Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 2.96Å; L124-F127 PolarHBondContact O-N 2.94Å; L124-Q128 PolarHBondContact O-N 3.32Å; L124-F136 HydrophobicContact CD1-CB 3.92Å; L124-A139 HydrophobicContact CD1-CB 4.21Å; L124-I141 HydrophobicContact CB-CD1 3.87Å; L124-I141 HydrophobicContact CD1-CD1 4.19Å; L124-I141 HydrophobicContact CD1-CG1 4.31Å
125E82.8Confident82.7Confident32 Ų3259.6 Ų59.615%0.1530%0.304CS..Hα-helixtrans-58.2-43175.5-168.1-174.2168.500110.7F5 L25 K121 L122 Q128 K129F5-E125 HydrophobicContact CD1-CB 3.97Å; F5-E125 HydrophobicContact CD1-CG 3.7Å; F5-E125 HydrophobicContact CE1-CB 3.64Å; F5-E125 HydrophobicContact CE1-CG 3.94Å; F5-E125 HydrophobicContact CG-CG 4.16Å; F5-E125 HydrophobicContact CZ-CB 4.05Å; L25-E125 HydrophobicContact CD1-CB 3.87Å; L25-E125 HydrophobicContact CD1-CG 3.76Å; L25-E125 HydrophobicContact CG-CB 4.13Å; L25-E125 HydrophobicContact CG-CG 4.11Å; L25-E125 PolarHBondContact N-OE2 3.12Å; K121-E125 WeakPolarHBondContact O-CB 3.44Å; K121-E125 PolarHBondContact O-N 2.8Å; L122-E125 PolarHBondContact O-N 3.39Å; E125-Q128 PolarHBondContact O-N 2.9Å; E125-K129 WeakPolarHBondContact O-CB 3.39Å; E125-K129 PolarHBondContact O-N 3.43Å
126R83.3Confident81.8Confident61 Ų6159 Ų5923%0.2330%0.301CS..Hα-helixtrans-62.8-48.8177.3177.5-176.9174.5-169.62.4110.5L25 A96 L122 T123 L124 Q128 K129 E130 G148L25-R126 HydrophobicContact CD1-CB 3.87Å; L25-R126 HydrophobicContact CD2-CB 4.4Å; A96-R126 HydrophobicContact CB-CB 4.08Å; A96-R126 HydrophobicContact CB-CG 4.48Å; L122-R126 WeakPolarHBondContact O-CB 3.41Å; L122-R126 PolarHBondContact O-N 2.71Å; T123-R126 PolarHBondContact O-N 3.04Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 2.96Å; R126-Q128 VanDerWaalsContact C-N 3.31Å; R126-Q128 PolarHBondContact O-N 3.27Å; R126-K129 WeakPolarHBondContact O-CB 3.43Å; R126-K129 PolarHBondContact O-N 3.08Å; R126-K129 VanDerWaalsContact O-N 3.16Å; R126-E130 HydrophobicContact CG-CG 4.44Å; R126-E130 IonicContact CZ-OE1 3.11Å; R126-E130 IonicContact NE-OE1 2.89Å; R126-E130 PolarHBondContact NE-OE1 3.02Å; R126-E130 IonicContact NH2-OE1 3Å; R126-E130 PolarHBondContact NH2-OE1 3.18Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 2.87Å; R126-G148 PolarHBondContact NH1-O 3.21Å
127F82.8Confident80.9Confident61 Ų6158.3 Ų58.327%0.26830%0.3SS..Hα-helixtrans-62.6-39.2-178.1-166.8-110.9000112T123 L124 E130 N131 F136 F152T123-F127 WeakPolarHBondContact O-CB 3.49Å; T123-F127 PolarHBondContact O-N 2.7Å; L124-F127 PolarHBondContact O-N 2.94Å; F127-E130 PolarHBondContact O-N 2.9Å; F127-N131 WeakPolarHBondContact O-CB 3.43Å; F127-N131 PolarHBondContact O-N 2.78Å; F127-N131 PolarHBondContact O-ND2 3.18Å; F127-F136 HydrophobicContact CD1-CD1 4.27Å; F127-F136 AromaticContact CD1-CD2 3.67Å; F127-F136 HydrophobicContact CD1-CD2 3.67Å; F127-F136 HydrophobicContact CD1-CE1 4.29Å; F127-F136 AromaticContact CD1-CE2 3.63Å; F127-F136 HydrophobicContact CD1-CE2 3.63Å; F127-F136 HydrophobicContact CD1-CG 4Å; F127-F136 AromaticContact CD1-CZ 3.99Å; F127-F136 HydrophobicContact CD1-CZ 3.99Å; F127-F136 HydrophobicContact CE1-CD1 4.14Å; F127-F136 AromaticContact CE1-CD2 3.91Å; F127-F136 HydrophobicContact CE1-CD2 3.91Å; F127-F136 AromaticContact CE1-CE1 3.71Å; F127-F136 HydrophobicContact CE1-CE1 3.71Å; F127-F136 AromaticContact CE1-CE2 3.39Å; F127-F136 HydrophobicContact CE1-CE2 3.39Å; F127-F136 HydrophobicContact CE1-CG 4.25Å; F127-F136 AromaticContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CZ-CE2 4.41Å; F127-F136 HydrophobicContact CZ-CZ 4.25Å; F127-F152 AromaticContact CE2-CD2 3.94Å; F127-F152 HydrophobicContact CE2-CD2 3.94Å; F127-F152 HydrophobicContact CE2-CE2 4.07Å
128Q81.3Confident79.9Confident36 Ų3659.1 Ų59.117%0.16832%0.324CS..Hα-helixtrans-68.4-36.6175.2-171.9156.224.700112.3L124 E125 R126 N131 D135L124-Q128 PolarHBondContact O-N 3.32Å; E125-Q128 PolarHBondContact O-N 2.9Å; R126-Q128 VanDerWaalsContact C-N 3.31Å; R126-Q128 PolarHBondContact O-N 3.27Å; Q128-N131 CarbonylContact O-C 3.54Å; Q128-N131 VanDerWaalsContact O-C 3.27Å; Q128-N131 PolarHBondContact O-N 3.05Å; Q128-D135 PolarHBondContact NE2-OD1 2.84Å
129K79.5Confident79.1Confident137 Ų13760.9 Ų60.960%0.59634%0.339SS*.Hα-helixtrans-67.1-37.8174.7-169.6175.7-178.7-179.40112.4E26 E125 R126 N131E26-K129 IonicContact OE1-NZ 2.85Å; E26-K129 PolarHBondContact OE1-NZ 3.33Å; E125-K129 WeakPolarHBondContact O-CB 3.39Å; E125-K129 PolarHBondContact O-N 3.43Å; R126-K129 WeakPolarHBondContact O-CB 3.43Å; R126-K129 PolarHBondContact O-N 3.08Å; R126-K129 VanDerWaalsContact O-N 3.16Å; K129-N131 VanDerWaalsContact C-N 3.33Å
130E82.9Confident78.2Confident90 Ų9068.4 Ų68.442%0.42137%0.374SS..Hα-helixtrans-72.9-25.2175.6-71.9175.1177.900112.3R126 F127 P132R126-E130 HydrophobicContact CG-CG 4.44Å; R126-E130 IonicContact CZ-OE1 3.11Å; R126-E130 IonicContact NE-OE1 2.89Å; R126-E130 PolarHBondContact NE-OE1 3.02Å; R126-E130 IonicContact NH2-OE1 3Å; R126-E130 PolarHBondContact NH2-OE1 3.18Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 2.87Å; F127-E130 PolarHBondContact O-N 2.9Å; E130-P132 VanDerWaalsContact C-CD 3.48Å; E130-P132 WeakPolarHBondContact O-CD 3.24Å
131N81.9Confident77.4Confident51 Ų5165.7 Ų65.727%0.27337%0.367SS..  trans-123.867.4-177.2-61.8-85.1000111.9F127 Q128 K129 G133 F134 F136F127-N131 WeakPolarHBondContact O-CB 3.43Å; F127-N131 PolarHBondContact O-N 2.78Å; F127-N131 PolarHBondContact O-ND2 3.18Å; Q128-N131 CarbonylContact O-C 3.54Å; Q128-N131 VanDerWaalsContact O-C 3.27Å; Q128-N131 PolarHBondContact O-N 3.05Å; K129-N131 VanDerWaalsContact C-N 3.33Å; N131-G133 PolarHBondContact O-N 3.44Å; N131-F134 HydrophobicContact CB-CD2 4.33Å; N131-F134 PolarHBondContact O-N 3.14Å; N131-F134 VanDerWaalsContact O-N 3.09Å; N131-F136 HydrophobicContact CB-CE2 3.96Å
132P77.1Confident76.6Confident120 Ų12070.1 Ų70.178%0.77940%0.401SS*.THydrogen-bonded Turntrans-65.1-12.2-173.226.6-35.8000114.7E130E130-P132 VanDerWaalsContact C-CD 3.48Å; E130-P132 WeakPolarHBondContact O-CD 3.24Å
133G77Confident75.8Confident73 Ų7372.9 Ų72.975%0.75343%0.43SS*.THydrogen-bonded Turntrans-85.6-5.3176.600000114.9N131N131-G133 PolarHBondContact O-N 3.44Å
134F72.9Confident74.8Confident135 Ų13578.1 Ų78.159%0.59246%0.458SS*.SBendtrans-122.8139.4-177.4-69.9-91.2000110.4N131 F136N131-F134 HydrophobicContact CB-CD2 4.33Å; N131-F134 PolarHBondContact O-N 3.14Å; N131-F134 VanDerWaalsContact O-N 3.09Å; F134-F136 HydrophobicContact CB-CD2 3.9Å; F134-F136 HydrophobicContact CB-CE1 4.42Å; F134-F136 HydrophobicContact CB-CE2 3.18Å; F134-F136 HydrophobicContact CB-CZ 3.47Å; F134-F136 VanDerWaalsContact CB-CZ 3.47Å; F134-F136 HydrophobicContact CD1-CZ 4.3Å; F134-F136 HydrophobicContact CG-CE2 4.05Å; F134-F136 AromaticContact CG-CZ 3.97Å; F134-F136 HydrophobicContact CG-CZ 3.97Å
135D73.4Confident73.9Confident106 Ų10678.6 Ų78.657%0.56746%0.459SS*.  trans-95.9109.5175.3-167.19000110.5Q128 S137Q128-D135 PolarHBondContact NE2-OD1 2.84Å; D135-S137 PolarHBondContact OD1-N 2.75Å; D135-S137 PolarHBondContact OD1-OG 3.27Å
136F68.5Low72.9Confident46 Ų4681.5 Ų81.520%0.20248%0.478CS..  trans-107.711.5179.9-65.3-70.3000112.7L124 F127 N131 F134 G138 A139L124-F136 HydrophobicContact CD1-CB 3.92Å; F127-F136 HydrophobicContact CD1-CD1 4.27Å; F127-F136 AromaticContact CD1-CD2 3.67Å; F127-F136 HydrophobicContact CD1-CD2 3.67Å; F127-F136 HydrophobicContact CD1-CE1 4.29Å; F127-F136 AromaticContact CD1-CE2 3.63Å; F127-F136 HydrophobicContact CD1-CE2 3.63Å; F127-F136 HydrophobicContact CD1-CG 4Å; F127-F136 AromaticContact CD1-CZ 3.99Å; F127-F136 HydrophobicContact CD1-CZ 3.99Å; F127-F136 HydrophobicContact CE1-CD1 4.14Å; F127-F136 AromaticContact CE1-CD2 3.91Å; F127-F136 HydrophobicContact CE1-CD2 3.91Å; F127-F136 AromaticContact CE1-CE1 3.71Å; F127-F136 HydrophobicContact CE1-CE1 3.71Å; F127-F136 AromaticContact CE1-CE2 3.39Å; F127-F136 HydrophobicContact CE1-CE2 3.39Å; F127-F136 HydrophobicContact CE1-CG 4.25Å; F127-F136 AromaticContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CZ-CE2 4.41Å; F127-F136 HydrophobicContact CZ-CZ 4.25Å; N131-F136 HydrophobicContact CB-CE2 3.96Å; F134-F136 HydrophobicContact CB-CD2 3.9Å; F134-F136 HydrophobicContact CB-CE1 4.42Å; F134-F136 HydrophobicContact CB-CE2 3.18Å; F134-F136 HydrophobicContact CB-CZ 3.47Å; F134-F136 VanDerWaalsContact CB-CZ 3.47Å; F134-F136 HydrophobicContact CD1-CZ 4.3Å; F134-F136 HydrophobicContact CG-CE2 4.05Å; F134-F136 AromaticContact CG-CZ 3.97Å; F134-F136 HydrophobicContact CG-CZ 3.97Å; F136-G138 PolarHBondContact O-N 2.97Å; F136-G138 VanDerWaalsContact O-N 3.11Å; F136-A139 HydrophobicContact CB-CB 4.25Å; F136-A139 HydrophobicContact CD1-CB 4.18Å; F136-A139 WeakPolarHBondContact O-CB 3.39Å; F136-A139 PolarHBondContact O-N 3Å
137S67.9Low71.9Confident33 Ų3386.9 Ų86.923%0.23150%0.504CS..THydrogen-bonded Turntrans-63.3-23-175.169.50000114.1D135D135-S137 PolarHBondContact OD1-N 2.75Å; D135-S137 PolarHBondContact OD1-OG 3.27Å
138G66.9Low70.9Confident77 Ų7784.1 Ų84.179%0.79449%0.492SS*.THydrogen-bonded Turntrans-103.67.9175.500000114.7F136F136-G138 PolarHBondContact O-N 2.97Å; F136-G138 VanDerWaalsContact O-N 3.11Å
139A71.9Confident70Confident41 Ų4183.2 Ų83.234%0.33949%0.493SS..PPolyproline II helixtrans-85.5139.4-176.700000111.7L124 F136L124-A139 HydrophobicContact CD1-CB 4.21Å; F136-A139 HydrophobicContact CB-CB 4.25Å; F136-A139 HydrophobicContact CD1-CB 4.18Å; F136-A139 WeakPolarHBondContact O-CB 3.39Å; F136-A139 PolarHBondContact O-N 3Å
140E67.6Low69Low186 Ų18680.5 Ų80.587%0.86949%0.489SS*.PPolyproline II helixtrans-94.7128.4170-70.2-169.8108.900110.3
141I68.1Low67.9Low43 Ų4380 Ų8022%0.22149%0.489CS..PPolyproline II helixtrans-82.4119.3171.3-81.8176.4000109.2R120 T123 L124 Y145R120-I141 HydrophobicContact CG-CG2 4.33Å; T123-I141 HydrophobicContact CG2-CD1 3.71Å; L124-I141 HydrophobicContact CB-CD1 3.87Å; L124-I141 HydrophobicContact CD1-CD1 4.19Å; L124-I141 HydrophobicContact CD1-CG1 4.31Å; I141-Y145 HydrophobicContact CG2-CD1 3.48Å; I141-Y145 VanDerWaalsContact CG2-CD1 3.48Å; I141-Y145 HydrophobicContact CG2-CE1 4.36Å; I141-Y145 HydrophobicContact CG2-CG 3.77Å
142S68.2Low66.7Low116 Ų11682.4 Ų82.481%0.81150%0.497SS*.  trans-120141.9170.170.80000110.3
143G68.8Low65.7Low60 Ų6080.6 Ų80.662%0.61949%0.488SS*.SBendtrans115.1-153.117700000114Y145G143-Y145 WeakPolarHBondContact O-CD1 3.22Å; G143-Y145 WeakPolarHBondContact O-CE1 3.21Å; G143-Y145 PolarHBondContact O-N 2.95Å
144N64.1Low64.6Low121 Ų12183.3 Ų83.365%0.64749%0.485SS*.  trans-87.291.3-179.5-171.421.4000111.4T146N144-T146 PolarHBondContact OD1-OG1 2.89Å
145Y65.7Low63.7Low26 Ų2683.3 Ų83.310%0.10249%0.49CS..  trans-101.28.7175.151.1-91.7000113.4D116 Q119 R120 I141 G143 K147 G148 G149D116-Y145 VanDerWaalsContact OD1-CE2 3.22Å; D116-Y145 WeakPolarHBondContact OD1-CE2 3.08Å; D116-Y145 VanDerWaalsContact OD1-CZ 3.25Å; D116-Y145 PolarHBondContact OD1-OH 2.91Å; D116-Y145 PolarHBondContact OD2-OH 2.99Å; Q119-Y145 HydrophobicContact CB-CD2 4.44Å; Q119-Y145 HydrophobicContact CG-CD2 3.91Å; Q119-Y145 HydrophobicContact CG-CE2 4.43Å; R120-Y145 HydrophobicContact CG-CD1 4.2Å; R120-Y145 HydrophobicContact CG-CD2 3.8Å; R120-Y145 HydrophobicContact CG-CE1 3.97Å; R120-Y145 HydrophobicContact CG-CE2 3.54Å; R120-Y145 HydrophobicContact CG-CG 4.14Å; R120-Y145 PolarHBondContact NE-OH 3.39Å; R120-Y145 PolarHBondContact NH2-OH 3.36Å; I141-Y145 HydrophobicContact CG2-CD1 3.48Å; I141-Y145 VanDerWaalsContact CG2-CD1 3.48Å; I141-Y145 HydrophobicContact CG2-CE1 4.36Å; I141-Y145 HydrophobicContact CG2-CG 3.77Å; G143-Y145 WeakPolarHBondContact O-CD1 3.22Å; G143-Y145 WeakPolarHBondContact O-CE1 3.21Å; G143-Y145 PolarHBondContact O-N 2.95Å; Y145-K147 PolarHBondContact O-N 3.28Å; Y145-G148 PolarHBondContact O-N 2.49Å; Y145-G148 VanDerWaalsContact O-N 3.14Å; Y145-G149 PolarHBondContact O-N 3.01Å
146T61.8Low62.3Low92 Ų9287.2 Ų87.256%0.56451%0.505SS*.THydrogen-bonded Turntrans-59.7136.1177.561.10000110.2N144 G148N144-T146 PolarHBondContact OD1-OG1 2.89Å; T146-G148 VanDerWaalsContact C-N 3.32Å; T146-G148 PolarHBondContact O-N 3.28Å
147K62.3Low61.1Low175 Ų17597.8 Ų97.876%0.76155%0.551SS**THydrogen-bonded Turntrans62.726.1-173.2-55-176.7175.2-178.70116A97 Y145A97-K147 HydrophobicContact CB-CB 4.37Å; A97-K147 WeakPolarHBondContact CB-O 3.31Å; Y145-K147 PolarHBondContact O-N 3.28Å
148G61.4Low60.7Low3 Ų3101 Ų1013%0.03157%0.567CS.*THydrogen-bonded Turntrans92.624.8171.700000115.2A96 Q119 R126 Y145 T146A96-G148 VanDerWaalsContact CB-CA 3.49Å; Q119-G148 VanDerWaalsContact NE2-N 3.14Å; R126-G148 PolarHBondContact NH1-O 3.21Å; Y145-G148 PolarHBondContact O-N 2.49Å; Y145-G148 VanDerWaalsContact O-N 3.14Å; T146-G148 VanDerWaalsContact C-N 3.32Å; T146-G148 PolarHBondContact O-N 3.28Å
149G61.9Low60.4Low17 Ų17102.3 Ų102.318%0.17556%0.555CS.*SBendtrans83.8169.7171.300000116.1Y145 D151Y145-G149 PolarHBondContact O-N 3.01Å; G149-D151 PolarHBondContact O-N 3Å
150P59.7Low59.7Low80 Ų80105.7 Ų105.752%0.51957%0.567SS.*  trans-60.1132.2170.623.1-30.9000110.7F152P150-F152 HydrophobicContact CB-CE1 4.37Å; P150-F152 HydrophobicContact CB-CE2 4.06Å; P150-F152 HydrophobicContact CB-CZ 3.88Å; P150-F152 HydrophobicContact CG-CE1 4.46Å; P150-F152 HydrophobicContact CG-CE2 3.6Å; P150-F152 HydrophobicContact CG-CZ 3.53Å; P150-F152 WeakPolarHBondContact O-CD2 3.25Å; P150-F152 PolarHBondContact O-N 3.47Å
151D58Low59.3Low80 Ų80100.9 Ų100.943%0.42855%0.549SS..  trans-85.3107.2176.7-174.10.1000109.9G149 S153G149-D151 PolarHBondContact O-N 3Å; D151-S153 VanDerWaalsContact OD1-CB 3.25Å; D151-S153 WeakPolarHBondContact OD1-CB 3.46Å; D151-S153 PolarHBondContact OD1-N 2.56Å; D151-S153 VanDerWaalsContact OD1-N 3.08Å; D151-S153 PolarHBondContact OD1-OG 3.08Å; D151-S153 PolarHBondContact OD2-OG 3.48Å
152F57.2Low58.7Low100 Ų100104.6 Ų104.644%0.43957%0.57SS.*  trans-89.4-0.7-179.5-62.2-75.5000113.5F127 P150 N154 L155F127-F152 AromaticContact CE2-CD2 3.94Å; F127-F152 HydrophobicContact CE2-CD2 3.94Å; F127-F152 HydrophobicContact CE2-CE2 4.07Å; P150-F152 HydrophobicContact CB-CE1 4.37Å; P150-F152 HydrophobicContact CB-CE2 4.06Å; P150-F152 HydrophobicContact CB-CZ 3.88Å; P150-F152 HydrophobicContact CG-CE1 4.46Å; P150-F152 HydrophobicContact CG-CE2 3.6Å; P150-F152 HydrophobicContact CG-CZ 3.53Å; P150-F152 WeakPolarHBondContact O-CD2 3.25Å; P150-F152 PolarHBondContact O-N 3.47Å; F152-N154 PolarHBondContact O-N 3.28Å; F152-L155 HydrophobicContact CD1-CD1 4.27Å; F152-L155 PolarHBondContact O-N 3.43Å
153S56.5Low58.1Low83 Ų83103.8 Ų103.858%0.5855%0.554SS**THydrogen-bonded Turntrans-59.8-17.4178.662.10000113.6D151D151-S153 VanDerWaalsContact OD1-CB 3.25Å; D151-S153 WeakPolarHBondContact OD1-CB 3.46Å; D151-S153 PolarHBondContact OD1-N 2.56Å; D151-S153 VanDerWaalsContact OD1-N 3.08Å; D151-S153 PolarHBondContact OD1-OG 3.08Å; D151-S153 PolarHBondContact OD2-OG 3.48Å
154N54.7Low57.3Low130 Ų130106.9 Ų106.970%0.69555%0.549SS*.THydrogen-bonded Turntrans-97.92.3178.1-71.4-54.5000115F152F152-N154 PolarHBondContact O-N 3.28Å
155L52.4Low56.8Low134 Ų134105.8 Ų105.870%0.70254%0.542SS*.  trans-86.6-6.7-177-113.289.2000114.8F152 K157F152-L155 HydrophobicContact CD1-CD1 4.27Å; F152-L155 PolarHBondContact O-N 3.43Å; L155-K157 PolarHBondContact O-N 2.71Å
156E45.1Very low56.1Low188 Ų188112.5 Ų112.588%0.87958%0.578SS**  trans-9150.1179.2-65.7-172.2122.800113.6
157K42.2Very low55.6Low268 Ų268114.4 Ų114.4100%1.16558%0.579SS**  trans-117.50167.3-86.3-171.7179.7177.70112.7L155L155-K157 PolarHBondContact O-N 2.71Å

Retrieved 157 of 157 residues in 839.3 ms (Link to these results)

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