A0A061HZY1_CRIGR Loading...

NudC domain-containing protein 2

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

AlphaFold DB (A0A1U7QE61), UniProt , Accession A0A061HZY1, Species CRIGR (Cricetulus griseus, Chinese hamster), 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 low58.6Low247 Ų24787.5 Ų87.5100%1.21748%0.484SS*.  0108.40-75.9-176.3-86.400106.5
2S41.1Very low61Low109 Ų10982.3 Ų82.376%0.76246%0.456SS*.PPolyproline II helixtrans-66.5129.1178.1-42.30000107.8
3A49.5Very low63.2Low35 Ų3580.2 Ų80.229%0.28945%0.449SS..PPolyproline II helixtrans-55.7141.9172.100000109.2F5 E7 R8A3-F5 PolarHBondContact O-N 3.22Å; A3-E7 HydrophobicContact CB-CB 4.47Å; A3-R8 HydrophobicContact CB-CG 4.44Å
4P61.8Low65.2Low75 Ų7575.1 Ų75.149%0.48742%0.421SS..PPolyproline II helixtrans-49.8138.8174.8-24.133.2000110.1E6 E7P4-E6 PolarHBondContact O-N 3.41Å; P4-E7 WeakPolarHBondContact O-CB 3.39Å; P4-E7 PolarHBondContact O-N 3.39Å
5F57.4Low67Low31 Ų3174.2 Ų74.214%0.13644%0.435CS..Hα-helixtrans-52.1-33.1-177.2173.9-101.8000112.6A3 E7 R8 S9 K121 L124 E125A3-F5 PolarHBondContact O-N 3.22Å; F5-E7 VanDerWaalsContact C-N 3.28Å; F5-E7 PolarHBondContact O-N 2.98Å; F5-R8 PolarHBondContact O-N 2.82Å; F5-R8 VanDerWaalsContact O-N 3.14Å; F5-S9 WeakPolarHBondContact O-CB 3.26Å; F5-S9 PolarHBondContact O-N 3.3Å; F5-K121 HydrophobicContact CE1-CG 4.1Å; F5-L124 HydrophobicContact CE2-CD2 4.48Å; F5-L124 HydrophobicContact CE2-CG 4.4Å; F5-L124 HydrophobicContact CZ-CB 4.25Å; F5-L124 HydrophobicContact CZ-CD2 3.97Å; F5-L124 HydrophobicContact CZ-CG 3.98Å; F5-E125 HydrophobicContact CD1-CB 3.89Å; F5-E125 HydrophobicContact CD1-CG 3.7Å; F5-E125 HydrophobicContact CE1-CB 3.66Å; F5-E125 HydrophobicContact CE1-CG 4.03Å; F5-E125 HydrophobicContact CG-CG 4.16Å; F5-E125 HydrophobicContact CZ-CB 4.18Å
6E60.8Low68.6Low42 Ų4270.6 Ų70.620%0.19642%0.415CS..Hα-helixtrans-55.7-38.1174.3-62.9175.3103.900113.4P4 R8 G10 V11 T24 F29P4-E6 PolarHBondContact O-N 3.41Å; E6-R8 VanDerWaalsContact C-N 3.28Å; E6-R8 PolarHBondContact O-N 3.01Å; E6-G10 CarbonylContact O-C 3.49Å; E6-G10 VanDerWaalsContact O-C 3.3Å; E6-G10 VanDerWaalsContact O-CA 3.23Å; E6-G10 WeakPolarHBondContact O-CA 3.41Å; E6-G10 PolarHBondContact O-N 3.05Å; E6-G10 VanDerWaalsContact O-O 3.09Å; E6-V11 HydrophobicContact CB-CG1 4.06Å; E6-V11 HydrophobicContact CG-CG1 4.25Å; E6-T24 HydrophobicContact CG-CG2 3.6Å; E6-T24 WeakPolarHBondContact OE1-CG2 3.44Å; E6-F29 WeakPolarHBondContact OE1-CE2 3.47Å
7E59.9Low69.9Low152 Ų15273.9 Ų73.971%0.7144%0.439SS*.Hα-helixtrans-74.9-21.5-178.2-155.3175.7176.400112A3 P4 F5A3-E7 HydrophobicContact CB-CB 4.47Å; P4-E7 WeakPolarHBondContact O-CB 3.39Å; P4-E7 PolarHBondContact O-N 3.39Å; F5-E7 VanDerWaalsContact C-N 3.28Å; F5-E7 PolarHBondContact O-N 2.98Å
8R60.6Low71.1Confident133 Ų13371.4 Ų71.450%0.50242%0.42SS..Hα-helixtrans-97.9-38.2-179.3-64.8-175.3176.3-170.1-0.8113.7A3 F5 E6A3-R8 HydrophobicContact CB-CG 4.44Å; F5-R8 PolarHBondContact O-N 2.82Å; F5-R8 VanDerWaalsContact O-N 3.14Å; E6-R8 VanDerWaalsContact C-N 3.28Å; E6-R8 PolarHBondContact O-N 3.01Å
9S62.8Low72.3Confident37 Ų3768.7 Ų68.726%0.25941%0.409SS..Hα-helixtrans-98.7-4.3-176.8-179.80000112.6F5 K121F5-S9 WeakPolarHBondContact O-CB 3.26Å; F5-S9 PolarHBondContact O-N 3.3Å; S9-K121 VanDerWaalsContact C-NZ 3.35Å; S9-K121 PolarHBondContact O-NZ 2.89Å; S9-K121 PolarHBondContact OG-NZ 2.62Å
10G71.8Confident73.4Confident36 Ų3668.6 Ų68.637%0.37140%0.404SS..  trans76.5-169.7-171.200000112.3E6 K121E6-G10 CarbonylContact O-C 3.49Å; E6-G10 VanDerWaalsContact O-C 3.3Å; E6-G10 VanDerWaalsContact O-CA 3.23Å; E6-G10 WeakPolarHBondContact O-CA 3.41Å; E6-G10 PolarHBondContact O-N 3.05Å; E6-G10 VanDerWaalsContact O-O 3.09Å; G10-K121 VanDerWaalsContact C-NZ 3.31Å; G10-K121 WeakPolarHBondContact O-CE 3.41Å; G10-K121 PolarHBondContact O-NZ 3.43Å
11V81.5Confident74.4Confident65 Ų6565.3 Ų65.339%0.39439%0.385SS..  trans-126.7155.6170-67.30000109.4E6 P13 Y22E6-V11 HydrophobicContact CB-CG1 4.06Å; E6-V11 HydrophobicContact CG-CG1 4.25Å; V11-P13 WeakPolarHBondContact O-CD 3.44Å; V11-Y22 HydrophobicContact CB-CD2 4.05Å; V11-Y22 HydrophobicContact CB-CE2 4.49Å; V11-Y22 HydrophobicContact CB-CG 4.2Å; V11-Y22 HydrophobicContact CG1-CD2 3.85Å; V11-Y22 HydrophobicContact CG1-CE2 3.95Å; V11-Y22 HydrophobicContact CG1-CG 4.49Å; V11-Y22 HydrophobicContact CG2-CG 4.48Å
12V86.8Confident77Confident25 Ų2554.1 Ų54.115%0.15233%0.329CS..  trans-105.892.3173.3177.60000107.4Y22 V114 Q117 M118 K121V12-Y22 WeakPolarHBondContact O-CB 3.26Å; V12-V114 HydrophobicContact CG1-CG1 3.88Å; V12-Q117 HydrophobicContact CG1-CB 3.8Å; V12-Q117 HydrophobicContact CG2-CB 4.03Å; V12-M118 HydrophobicContact CB-CG 4.03Å; V12-M118 HydrophobicContact CG1-CG 3.72Å; V12-M118 WeakPolarHBondContact O-CE 3.04Å; V12-K121 HydrophobicContact CG2-CD 4.12Å
13P89.9Confident79.4Confident55 Ų5549.5 Ų49.536%0.35730%0.295SS..PPolyproline II helixtrans-78.3142.5179.932-34.5000111.6V11 Q20V11-P13 WeakPolarHBondContact O-CD 3.44Å; P13-Q20 HydrophobicContact CB-CB 4.33Å
14C91.8Very high81.2Confident10 Ų1048.2 Ų48.27%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-101116163.2-179.90000108.5Q20 W21 A110 V114 M118C14-Q20 CarbonylContact O-C 3.5Å; C14-Q20 WeakPolarHBondContact O-CA 3.31Å; C14-Q20 WeakPolarHBondContact O-CB 3.34Å; 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 3.48Å; C14-W21 PolarHBondContact O-N 2.81Å; C14-W21 PolarHBondContact SG-NE1 2.64Å; C14-W21 VanDerWaalsContact SG-NE1 3.37Å; C14-A110 HydrophobicContact CB-CB 4.25Å; C14-V114 HydrophobicContact CB-CG1 4.46Å; C14-M118 HydrophobicContact CB-CE 3.85Å
15G91.9Very high82.4Confident61 Ų6145 Ų4563%0.62926%0.262SS*.EExtended strand (participates in β ladder)trans-68.8143.6177.600000112.3
16T91.8Very high83.8Confident17 Ų1746.1 Ų46.110%0.10427%0.268CS..EExtended strand (participates in β ladder)trans-132.5163.2173.469.20000109.3W18 G19 Y108T16-W18 HydrophobicContact CG2-CH2 4Å; T16-W18 HydrophobicContact CG2-CZ2 3.86Å; T16-W18 PolarHBondContact O-N 3.1Å; T16-W18 VanDerWaalsContact O-N 3.08Å; T16-W18 VanDerWaalsContact OG1-CE2 3.28Å; T16-W18 WeakPolarHBondContact OG1-CZ2 3.35Å; T16-W18 WeakPolarHBondContact OG1-CZ3 3.17Å; T16-G19 PolarHBondContact N-O 3.24Å; T16-G19 PolarHBondContact O-N 3.12Å; T16-G19 VanDerWaalsContact O-N 3.15Å; T16-G19 VanDerWaalsContact OG1-C 3.26Å; T16-G19 PolarHBondContact OG1-N 2.9Å; T16-G19 PolarHBondContact OG1-O 3.18Å; T16-Y108 HydrophobicContact CG2-CD1 3.5Å; T16-Y108 VanDerWaalsContact CG2-CD1 3.5Å; T16-Y108 HydrophobicContact CG2-CE1 4.26Å; T16-Y108 HydrophobicContact CG2-CG 4.06Å
17P91.2Very high85.3Confident127 Ų12747.2 Ų47.283%0.82527%0.273SS*.THydrogen-bonded Turntrans-59.3-23-179.7-26.436000114.8
18W92Very high86.9Confident29 Ų2940 Ų4011%0.1124%0.239CC..THydrogen-bonded Turntrans-106.5-3-178.644.6-105.4000113.1T16 I30 V32 Q33 I61 L62 L103 Y108T16-W18 HydrophobicContact CG2-CH2 4Å; T16-W18 HydrophobicContact CG2-CZ2 3.86Å; T16-W18 PolarHBondContact O-N 3.1Å; T16-W18 VanDerWaalsContact O-N 3.08Å; T16-W18 VanDerWaalsContact OG1-CE2 3.28Å; T16-W18 WeakPolarHBondContact OG1-CZ2 3.35Å; T16-W18 WeakPolarHBondContact OG1-CZ3 3.17Å; W18-I30 HydrophobicContact CH2-CG2 3.4Å; W18-I30 HydrophobicContact CZ3-CG2 3.49Å; W18-I30 VanDerWaalsContact CZ3-CG2 3.49Å; W18-V32 HydrophobicContact CB-CG1 4.37Å; W18-V32 HydrophobicContact CD2-CG2 4.39Å; W18-V32 HydrophobicContact CE3-CB 4.06Å; W18-V32 HydrophobicContact CE3-CG1 4.11Å; W18-V32 HydrophobicContact CE3-CG2 3.49Å; W18-V32 VanDerWaalsContact CE3-CG2 3.49Å; W18-V32 HydrophobicContact CH2-CG2 4.46Å; W18-V32 HydrophobicContact CZ3-CB 4.47Å; W18-V32 HydrophobicContact CZ3-CG2 3.53Å; W18-Q33 PolarHBondContact O-N 2.88Å; W18-I61 HydrophobicContact CB-CG2 3.61Å; W18-I61 HydrophobicContact CD2-CG2 4.4Å; W18-I61 HydrophobicContact CG-CG2 3.77Å; W18-L62 HydrophobicContact CH2-CD2 4.41Å; W18-L62 HydrophobicContact CZ2-CD1 3.86Å; W18-L62 HydrophobicContact CZ2-CD2 4.38Å; W18-L103 HydrophobicContact CH2-CD2 3.72Å; W18-L103 HydrophobicContact CZ2-CD2 3.97Å; W18-Y108 AromaticContact CE2-CE1 3.87Å; W18-Y108 AromaticContact CE2-CZ 3.97Å; W18-Y108 HydrophobicContact CZ2-CD1 4.19Å; W18-Y108 HydrophobicContact CZ2-CD2 4.42Å; W18-Y108 HydrophobicContact CZ2-CE1 4.01Å; W18-Y108 HydrophobicContact CZ2-CE2 4.28Å; W18-Y108 HydrophobicContact CZ2-CG 4.39Å; W18-Y108 AromaticContact NE1-CE1 3.25Å; W18-Y108 VanDerWaalsContact NE1-CE1 3.25Å; W18-Y108 AromaticContact NE1-CZ 3.24Å; W18-Y108 PolarHBondContact NE1-OH 3.09Å; W18-Y108 VanDerWaalsContact NE1-OH 3.1Å
19G93.4Very high88.5Confident20 Ų2034 Ų3421%0.20622%0.217CC..EExtended strand (participates in β ladder)trans158.3-125.2-178.500000112.2T16 E31T16-G19 PolarHBondContact N-O 3.24Å; T16-G19 PolarHBondContact O-N 3.12Å; T16-G19 VanDerWaalsContact O-N 3.15Å; T16-G19 VanDerWaalsContact OG1-C 3.26Å; T16-G19 PolarHBondContact OG1-N 2.9Å; T16-G19 PolarHBondContact OG1-O 3.18Å; G19-E31 WeakPolarHBondContact CA-O 3.5Å
20Q94.5Very high90Very high65 Ų6532.2 Ų32.230%0.30421%0.205SC..EExtended strand (participates in β ladder)trans-157.8163.4-178.660.9-169.2-8.300111.4P13 C14 E31P13-Q20 HydrophobicContact CB-CB 4.33Å; C14-Q20 CarbonylContact O-C 3.5Å; C14-Q20 WeakPolarHBondContact O-CA 3.31Å; C14-Q20 WeakPolarHBondContact O-CB 3.34Å; Q20-E31 HydrophobicContact CG-CB 4.02Å; Q20-E31 PolarHBondContact N-O 3.33Å; Q20-E31 PolarHBondContact NE2-OE2 3.2Å; Q20-E31 PolarHBondContact O-N 2.83Å; Q20-E31 VanDerWaalsContact O-O 3.13Å
21W94.6Very high91.1Very high0 Ų031.6 Ų31.60%019%0.192CC..EExtended strand (participates in β ladder)trans-137.7152.3168.969.1-84.2000110.4C14 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 3.48Å; C14-W21 PolarHBondContact O-N 2.81Å; C14-W21 PolarHBondContact SG-NE1 2.64Å; C14-W21 VanDerWaalsContact SG-NE1 3.37Å; W21-V28 HydrophobicContact CE3-CG1 4.28Å; W21-F29 CarbonylContact C-O 3.5Å; W21-F29 WeakPolarHBondContact CA-O 3.38Å; W21-F29 VanDerWaalsContact CB-O 3.31Å; W21-F29 WeakPolarHBondContact CB-O 3.18Å; W21-I30 HydrophobicContact CB-CG2 4.45Å; W21-W100 HydrophobicContact CH2-CB 4.4Å; W21-W100 HydrophobicContact CZ3-CB 4.3Å; W21-L103 HydrophobicContact CB-CD1 4.37Å; W21-L103 HydrophobicContact CB-CD2 4.24Å; W21-L103 HydrophobicContact CD2-CB 3.95Å; W21-L103 HydrophobicContact CD2-CD1 4.35Å; W21-L103 HydrophobicContact CE3-CD1 4.49Å; W21-L103 HydrophobicContact CG-CB 4.03Å; W21-L103 HydrophobicContact CG-CD1 4.3Å; W21-L103 HydrophobicContact CG-CD2 4.16Å; W21-L103 HydrophobicContact CG-CG 4.4Å; W21-L103 HydrophobicContact CZ2-CB 4.46Å; W21-Y108 PolarHBondContact NE1-O 2.77Å; W21-A110 HydrophobicContact CZ2-CB 4.27Å; W21-M118 HydrophobicContact CH2-CE 4.02Å; W21-M118 HydrophobicContact CH2-SD 4.06Å; W21-M118 HydrophobicContact CZ2-CE 4.38Å; W21-M118 HydrophobicContact CZ3-CE 4.09Å; W21-M118 HydrophobicContact CZ3-SD 4.32Å
22Y92.8Very high91.8Very high13 Ų1328.5 Ų28.55%0.05117%0.174CC..EExtended strand (participates in β ladder)trans-145.2175.4173.352.8-85.2000109.1V11 V12 F29 E31 R86V11-Y22 HydrophobicContact CB-CD2 4.05Å; V11-Y22 HydrophobicContact CB-CE2 4.49Å; V11-Y22 HydrophobicContact CB-CG 4.2Å; V11-Y22 HydrophobicContact CG1-CD2 3.85Å; V11-Y22 HydrophobicContact CG1-CE2 3.95Å; V11-Y22 HydrophobicContact CG1-CG 4.49Å; V11-Y22 HydrophobicContact CG2-CG 4.48Å; V12-Y22 WeakPolarHBondContact O-CB 3.26Å; Y22-F29 HydrophobicContact CD1-CB 4.14Å; Y22-F29 HydrophobicContact CD2-CB 3.71Å; Y22-F29 AromaticContact CD2-CD2 3.64Å; Y22-F29 HydrophobicContact CD2-CD2 3.64Å; Y22-F29 AromaticContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CE1-CB 3.78Å; Y22-F29 HydrophobicContact CE2-CB 3.32Å; 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 4.17Å; 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 2.82Å; Y22-F29 PolarHBondContact O-N 2.71Å; Y22-E31 HydrophobicContact CE1-CG 4.3Å; Y22-E31 WeakPolarHBondContact CE1-OE1 3.34Å; Y22-E31 PolarHBondContact OH-OE1 2.8Å; Y22-R86 PolarHBondContact OH-NE 2.81Å; Y22-R86 PolarHBondContact OH-NH2 3.4Å
23Q90.1Very high92.1Very high12 Ų1232.8 Ų32.86%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-146.9152.4-177.366.3-174.7-52.700111.1E27 V28 W100 M118 L122Q23-E27 WeakPolarHBondContact CA-O 3.5Å; Q23-V28 HydrophobicContact CB-CG2 4.22Å; Q23-W100 PolarHBondContact NE2-O 3.01Å; Q23-M118 PolarHBondContact NE2-SD 3.16Å; Q23-L122 HydrophobicContact CG-CD1 4.25Å
24T88.2Confident92.3Very high7 Ų730.7 Ų30.74%0.04318%0.178CC..  trans-112-176.8165.361.20000108.8E6 E26 E27 F29 K91 L122E6-T24 HydrophobicContact CG-CG2 3.6Å; E6-T24 WeakPolarHBondContact OE1-CG2 3.44Å; T24-E26 PolarHBondContact O-N 2.84Å; T24-E26 PolarHBondContact OG1-N 3.01Å; T24-E27 PolarHBondContact N-O 2.8Å; T24-E27 PolarHBondContact OG1-N 3.47Å; T24-E27 PolarHBondContact OG1-O 3.23Å; T24-F29 HydrophobicContact CG2-CE2 3.91Å; T24-K91 PolarHBondContact O-NZ 2.77Å; T24-L122 VanDerWaalsContact O-CD2 3.29Å; T24-L122 WeakPolarHBondContact O-CD2 3.36Å
25L85.8Confident92.2Very high7 Ų734.4 Ų34.44%0.03720%0.202CC..SBendtrans-58.2-36.9172.6-78.6173.4000112.4R94 A96 L122 E125 R126L25-R94 WeakPolarHBondContact O-CA 3.41Å; L25-A96 VanDerWaalsContact CD2-CA 3.46Å; L25-A96 HydrophobicContact CD2-CB 3.76Å; L25-L122 VanDerWaalsContact CA-CD2 3.5Å; L25-L122 HydrophobicContact CB-CD2 4.34Å; L25-L122 HydrophobicContact CD2-CB 4.17Å; L25-L122 HydrophobicContact CD2-CD2 3.71Å; L25-L122 HydrophobicContact CG-CD2 3.96Å; L25-L122 VanDerWaalsContact N-CD2 3.35Å; L25-E125 HydrophobicContact CD1-CB 3.81Å; L25-E125 HydrophobicContact CD1-CG 3.74Å; L25-E125 HydrophobicContact CG-CB 4.12Å; L25-E125 HydrophobicContact CG-CG 4.14Å; L25-E125 PolarHBondContact N-OE2 3.02Å; L25-R126 HydrophobicContact CD1-CB 3.83Å; L25-R126 HydrophobicContact CD2-CB 4.43Å
26E87.6Confident92.2Very high55 Ų5536.5 Ų36.526%0.25720%0.204SC..SBendtrans-99.4-31.6-170.7-53.7-154.2-171.500112.8T24 K91 R94 K129T24-E26 PolarHBondContact O-N 2.84Å; T24-E26 PolarHBondContact OG1-N 3.01Å; E26-K91 WeakPolarHBondContact O-CB 3.21Å; E26-K91 PolarHBondContact O-N 2.86Å; E26-R94 HydrophobicContact CB-CG 4.34Å; E26-R94 HydrophobicContact CG-CB 4.41Å; E26-R94 HydrophobicContact CG-CG 4.36Å; E26-R94 IonicContact OE2-CZ 2.96Å; E26-R94 IonicContact OE2-NH1 2.9Å; E26-R94 PolarHBondContact OE2-NH1 2.79Å; E26-K129 IonicContact OE1-NZ 3.67Å; E26-K129 PolarHBondContact OE1-NZ 2.86Å
27E91.6Very high92Very high65 Ų6537.9 Ų37.930%0.30422%0.222SC..EExtended strand (participates in β ladder)trans-132.8157.5-165.8-64.5171.8129.800112.3Q23 T24 F29 V88 L89Q23-E27 WeakPolarHBondContact CA-O 3.5Å; T24-E27 PolarHBondContact N-O 2.8Å; T24-E27 PolarHBondContact OG1-N 3.47Å; T24-E27 PolarHBondContact OG1-O 3.23Å; E27-F29 HydrophobicContact CB-CD2 4.42Å; E27-F29 HydrophobicContact CB-CE2 3.71Å; E27-F29 HydrophobicContact CB-CZ 3.93Å; E27-F29 WeakPolarHBondContact OE2-CZ 3.39Å; E27-V88 HydrophobicContact CB-CG1 4.31Å; E27-V88 HydrophobicContact CG-CG1 4.35Å; E27-L89 CarbonylContact C-O 3.52Å; E27-L89 VanDerWaalsContact CA-O 3.29Å; E27-L89 WeakPolarHBondContact CA-O 3.37Å
28V93.5Very high92Very high0 Ų032.4 Ų32.40%019%0.187CC..EExtended strand (participates in β ladder)trans-117.8129.2167.7-178.90000107.9W21 Q23 I30 L89 K91 W100 L103W21-V28 HydrophobicContact CE3-CG1 4.28Å; Q23-V28 HydrophobicContact CB-CG2 4.22Å; V28-I30 HydrophobicContact CG1-CG1 4.41Å; V28-L89 HydrophobicContact CB-CB 4.37Å; V28-L89 PolarHBondContact N-O 2.86Å; V28-L89 PolarHBondContact O-N 2.62Å; V28-K91 HydrophobicContact CG2-CD 4.24Å; V28-K91 HydrophobicContact CG2-CG 3.95Å; V28-W100 HydrophobicContact CG1-CE3 4.43Å; V28-W100 HydrophobicContact CG1-CZ3 4.47Å; V28-W100 HydrophobicContact CG2-CD2 3.86Å; V28-W100 HydrophobicContact CG2-CE3 3.93Å; V28-W100 HydrophobicContact CG2-CG 4.44Å; V28-W100 HydrophobicContact CG2-CH2 4.21Å; V28-W100 HydrophobicContact CG2-CZ2 4.16Å; V28-W100 HydrophobicContact CG2-CZ3 4.1Å; V28-L103 HydrophobicContact CG1-CD1 3.93Å
29F94.4Very high92.1Very high8 Ų836.7 Ų36.74%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-109.4131.9179.3-62.7-90.9000109.5E6 W21 Y22 T24 E27 R86 I87 V88E6-F29 WeakPolarHBondContact OE1-CE2 3.47Å; W21-F29 CarbonylContact C-O 3.5Å; W21-F29 WeakPolarHBondContact CA-O 3.38Å; W21-F29 VanDerWaalsContact CB-O 3.31Å; W21-F29 WeakPolarHBondContact CB-O 3.18Å; Y22-F29 HydrophobicContact CD1-CB 4.14Å; Y22-F29 HydrophobicContact CD2-CB 3.71Å; Y22-F29 AromaticContact CD2-CD2 3.64Å; Y22-F29 HydrophobicContact CD2-CD2 3.64Å; Y22-F29 AromaticContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CD2-CG 3.93Å; Y22-F29 HydrophobicContact CE1-CB 3.78Å; Y22-F29 HydrophobicContact CE2-CB 3.32Å; 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 4.17Å; 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 2.82Å; Y22-F29 PolarHBondContact O-N 2.71Å; T24-F29 HydrophobicContact CG2-CE2 3.91Å; E27-F29 HydrophobicContact CB-CD2 4.42Å; E27-F29 HydrophobicContact CB-CE2 3.71Å; E27-F29 HydrophobicContact CB-CZ 3.93Å; E27-F29 WeakPolarHBondContact OE2-CZ 3.39Å; F29-R86 VanDerWaalsContact CD1-NH2 3.28Å; F29-I87 CarbonylContact C-O 3.44Å; F29-I87 WeakPolarHBondContact CA-O 3.36Å; F29-V88 HydrophobicContact CD1-CB 4.38Å; F29-V88 HydrophobicContact CD1-CG1 4.05Å; F29-V88 HydrophobicContact CD1-CG2 3.76Å; F29-V88 HydrophobicContact CE1-CB 4.33Å; F29-V88 HydrophobicContact CE1-CG1 3.64Å; F29-V88 HydrophobicContact CE1-CG2 3.8Å; F29-V88 HydrophobicContact CZ-CG1 4.15Å
30I95.3Very high91.9Very high0 Ų038.4 Ų38.40%022%0.215CC..EExtended strand (participates in β ladder)trans-125.1119.3178.7-43.9170.6000107.6W18 W21 V28 V32 L62 R86 I87 L89 L103W18-I30 HydrophobicContact CH2-CG2 3.4Å; W18-I30 HydrophobicContact CZ3-CG2 3.49Å; W18-I30 VanDerWaalsContact CZ3-CG2 3.49Å; W21-I30 HydrophobicContact CB-CG2 4.45Å; V28-I30 HydrophobicContact CG1-CG1 4.41Å; I30-V32 HydrophobicContact CG2-CG2 4.06Å; I30-L62 HydrophobicContact CD1-CD2 4.21Å; I30-L62 HydrophobicContact CG2-CD2 4.21Å; I30-R86 CarbonylContact O-C 3.55Å; I30-R86 WeakPolarHBondContact O-CA 3.16Å; I30-I87 HydrophobicContact CB-CB 4.08Å; I30-I87 HydrophobicContact CD1-CB 4.31Å; I30-I87 HydrophobicContact CD1-CD1 4.49Å; I30-I87 HydrophobicContact CD1-CG2 4.34Å; I30-I87 HydrophobicContact CG1-CB 4.45Å; I30-I87 PolarHBondContact N-O 2.84Å; I30-I87 PolarHBondContact O-N 2.8Å; I30-L89 HydrophobicContact CD1-CD1 3.93Å; I30-L103 HydrophobicContact CD1-CD1 3.71Å; I30-L103 HydrophobicContact CD1-CD2 4.16Å; I30-L103 HydrophobicContact CD1-CG 4.44Å; I30-L103 HydrophobicContact CG1-CD1 3.8Å; I30-L103 HydrophobicContact CG1-CD2 4.29Å; I30-L103 HydrophobicContact CG2-CD2 4.06Å
31E95.1Very high91.8Very high23 Ų2341.8 Ų41.811%0.10723%0.231CC..EExtended strand (participates in β ladder)trans-113.1115-179.9-72.3174.3-172.800109.1G19 Q20 Y22 M84 R86G19-E31 WeakPolarHBondContact CA-O 3.5Å; Q20-E31 HydrophobicContact CG-CB 4.02Å; Q20-E31 PolarHBondContact N-O 3.33Å; Q20-E31 PolarHBondContact NE2-OE2 3.2Å; Q20-E31 PolarHBondContact O-N 2.83Å; Q20-E31 VanDerWaalsContact O-O 3.13Å; Y22-E31 HydrophobicContact CE1-CG 4.3Å; Y22-E31 WeakPolarHBondContact CE1-OE1 3.34Å; Y22-E31 PolarHBondContact OH-OE1 2.8Å; E31-M84 HydrophobicContact CB-CG 4.44Å; E31-M84 HydrophobicContact CB-SD 4.02Å; E31-M84 HydrophobicContact CG-CE 4.33Å; E31-M84 HydrophobicContact CG-SD 4.07Å; E31-R86 HydrophobicContact CG-CG 4.15Å; E31-R86 IonicContact OE1-NE 3.47Å
32V95.2Very high91.7Very high0 Ų044.2 Ų44.20%024%0.244CC..EExtended strand (participates in β ladder)trans-114.7118.1-174.8-177.90000108.6W18 I30 V34 L54 I61 M84 V85W18-V32 HydrophobicContact CB-CG1 4.37Å; W18-V32 HydrophobicContact CD2-CG2 4.39Å; W18-V32 HydrophobicContact CE3-CB 4.06Å; W18-V32 HydrophobicContact CE3-CG1 4.11Å; W18-V32 HydrophobicContact CE3-CG2 3.49Å; W18-V32 VanDerWaalsContact CE3-CG2 3.49Å; W18-V32 HydrophobicContact CH2-CG2 4.46Å; W18-V32 HydrophobicContact CZ3-CB 4.47Å; W18-V32 HydrophobicContact CZ3-CG2 3.53Å; I30-V32 HydrophobicContact CG2-CG2 4.06Å; V32-V34 HydrophobicContact CG1-CG1 4.33Å; V32-V34 PolarHBondContact O-N 3.44Å; V32-L54 HydrophobicContact CB-CD2 3.88Å; V32-L54 HydrophobicContact CG1-CD2 3.84Å; V32-L54 HydrophobicContact CG2-CD2 3.59Å; V32-I61 HydrophobicContact CG1-CG2 3.58Å; V32-M84 CarbonylContact O-C 3.54Å; V32-M84 WeakPolarHBondContact O-CA 3.45Å; V32-V85 HydrophobicContact CB-CB 4.35Å; V32-V85 PolarHBondContact N-O 3.35Å; V32-V85 PolarHBondContact O-N 2.76Å
33Q94.1Very high91.8Very high114 Ų11444.4 Ų44.453%0.53325%0.246SC..EExtended strand (participates in β ladder)trans-74.4126175.2-63.4-66.3-1500109.5W18 K83W18-Q33 PolarHBondContact O-N 2.88Å; Q33-K83 PolarHBondContact OE1-O 3.41Å
34V93.2Very high92Very high12 Ų1251.1 Ų51.17%0.07328%0.277CS..  trans-120.1154.9-179.4-62.80000110.8V32 T38 V56 L79 K83 V85V32-V34 HydrophobicContact CG1-CG1 4.33Å; V32-V34 PolarHBondContact O-N 3.44Å; V34-T38 HydrophobicContact CB-CG2 4.35Å; V34-T38 HydrophobicContact CG2-CG2 4.06Å; V34-V56 HydrophobicContact CB-CG1 4.43Å; V34-V56 HydrophobicContact CG1-CG1 4.23Å; V34-V56 HydrophobicContact CG1-CG2 3.82Å; V34-L79 HydrophobicContact CG2-CD1 4.07Å; V34-K83 WeakPolarHBondContact CG2-O 3.37Å; V34-K83 PolarHBondContact N-O 2.99Å; V34-K83 VanDerWaalsContact O-O 3.09Å; V34-V85 HydrophobicContact CG1-CG2 3.76Å; V34-V85 HydrophobicContact CG2-CG2 4.24Å
35P90.8Very high92.3Very high88 Ų8852 Ų5257%0.57128%0.283SS*.  trans-53.6136.4178.2-27.736.2000112.1G37 T38P35-G37 PolarHBondContact O-N 3.31Å; P35-T38 WeakPolarHBondContact O-CB 3.43Å; P35-T38 PolarHBondContact O-N 3.35Å; P35-T38 VanDerWaalsContact O-N 3.1Å; P35-T38 PolarHBondContact O-OG1 2.9Å
36P90.4Very high92.7Very high104 Ų10455.4 Ų55.468%0.67530%0.302SS*.THydrogen-bonded Turntrans-55.4130.6177.9-26.634.3000112.2K83P36-K83 HydrophobicContact CB-CG 4.07Å; P36-K83 HydrophobicContact CG-CG 4.23Å
37G89Confident93Very high47 Ų4754.2 Ų54.249%0.48530%0.297SS..THydrogen-bonded Turntrans93.42.9-178.300000114.1P35 R39 R82P35-G37 PolarHBondContact O-N 3.31Å; G37-R39 PolarHBondContact O-N 3.11Å; G37-R82 PolarHBondContact N-O 2.77Å
38T91.4Very high93.1Very high12 Ų1255.3 Ų55.37%0.07430%0.302CS..  trans-51.3133.7166.7-62.70000109.4V34 P35 I43 V56 L79 R82V34-T38 HydrophobicContact CB-CG2 4.35Å; V34-T38 HydrophobicContact CG2-CG2 4.06Å; P35-T38 WeakPolarHBondContact O-CB 3.43Å; P35-T38 PolarHBondContact O-N 3.35Å; P35-T38 VanDerWaalsContact O-N 3.1Å; P35-T38 PolarHBondContact O-OG1 2.9Å; T38-I43 HydrophobicContact CG2-CD1 4.2Å; T38-I43 HydrophobicContact CG2-CG1 3.99Å; T38-V56 HydrophobicContact CG2-CG1 3.58Å; T38-L79 WeakPolarHBondContact O-CD2 3.49Å; T38-R82 VanDerWaalsContact O-CB 3.26Å; T38-R82 WeakPolarHBondContact O-CB 3.29Å; T38-R82 WeakPolarHBondContact O-CG 3.34Å
39R92.8Very high93.1Very high118 Ų11858 Ų5845%0.44532%0.32SS..  trans-107.9159175.5-60173.7-68.5-175.4-5.4109.9G37 Q41 D42G37-R39 PolarHBondContact O-N 3.11Å; R39-Q41 HydrophobicContact CB-CG 3.66Å; R39-Q41 VanDerWaalsContact CZ-NE2 3.32Å; R39-Q41 PolarHBondContact O-N 2.81Å; R39-D42 WeakPolarHBondContact CB-OD2 3.27Å; R39-D42 PolarHBondContact N-OD2 3.42Å; R39-D42 VanDerWaalsContact N-OD2 3.12Å; R39-D42 IonicContact NE-OD2 3.39Å; R39-D42 PolarHBondContact NE-OD2 2.83Å; R39-D42 IonicContact NH2-OD1 3.82Å; R39-D42 IonicContact NH2-OD2 4Å; R39-D42 WeakPolarHBondContact O-CB 3.23Å; R39-D42 PolarHBondContact O-N 3.43Å
40A89.5Confident93.1Very high57 Ų5761.9 Ų61.947%0.47134%0.335SS..G310 helixtrans-55.6-35.4176.800000112.8D42 I43 W77A40-D42 PolarHBondContact O-N 3.47Å; A40-I43 WeakPolarHBondContact O-CB 3.21Å; A40-I43 PolarHBondContact O-N 3.01Å; A40-I43 VanDerWaalsContact O-N 3.09Å; A40-W77 HydrophobicContact CB-CH2 4.33Å
41Q92.6Very high93Very high136 Ų13665.9 Ų65.964%0.63635%0.354SS*.G310 helixtrans-63.4-21.8175.455.6162.383.700114.5R39 I43R39-Q41 HydrophobicContact CB-CG 3.66Å; R39-Q41 VanDerWaalsContact CZ-NE2 3.32Å; R39-Q41 PolarHBondContact O-N 2.81Å; Q41-I43 VanDerWaalsContact C-N 3.3Å
42D92.6Very high93Very high51 Ų5164.9 Ų64.927%0.27335%0.349SS..G310 helixtrans-89.9-5-179.8-50.4-44.7000110.3R39 A40 V56 G57R39-D42 WeakPolarHBondContact CB-OD2 3.27Å; R39-D42 PolarHBondContact N-OD2 3.42Å; R39-D42 VanDerWaalsContact N-OD2 3.12Å; R39-D42 IonicContact NE-OD2 3.39Å; R39-D42 PolarHBondContact NE-OD2 2.83Å; R39-D42 IonicContact NH2-OD1 3.82Å; R39-D42 IonicContact NH2-OD2 4Å; R39-D42 WeakPolarHBondContact O-CB 3.23Å; R39-D42 PolarHBondContact O-N 3.43Å; A40-D42 PolarHBondContact O-N 3.47Å; D42-V56 CarbonylContact O-C 3.57Å; D42-V56 WeakPolarHBondContact O-CA 3.45Å; D42-G57 PolarHBondContact O-N 3.14Å
43I94.1Very high93Very high16 Ų1666.2 Ų66.28%0.08236%0.36CS..EExtended strand (participates in β ladder)trans-99.5126.8-178.7-61.6169.3000109.4T38 A40 Q41 C45 L54 V56 W77 L79 V85T38-I43 HydrophobicContact CG2-CD1 4.2Å; T38-I43 HydrophobicContact CG2-CG1 3.99Å; A40-I43 WeakPolarHBondContact O-CB 3.21Å; A40-I43 PolarHBondContact O-N 3.01Å; A40-I43 VanDerWaalsContact O-N 3.09Å; Q41-I43 VanDerWaalsContact C-N 3.3Å; I43-C45 HydrophobicContact CG2-CB 4.23Å; I43-L54 HydrophobicContact CG2-CD1 3.73Å; I43-V56 HydrophobicContact CG1-CG2 4.46Å; I43-W77 HydrophobicContact CB-CH2 4.16Å; I43-W77 HydrophobicContact CB-CZ3 4.16Å; I43-W77 HydrophobicContact CD1-CZ3 3.82Å; I43-W77 HydrophobicContact CG2-CE3 4.16Å; I43-W77 HydrophobicContact CG2-CH2 4.07Å; I43-W77 HydrophobicContact CG2-CZ2 4.49Å; I43-W77 HydrophobicContact CG2-CZ3 3.9Å; I43-L79 HydrophobicContact CD1-CB 3.96Å; I43-L79 HydrophobicContact CD1-CD1 3.93Å; I43-L79 HydrophobicContact CD1-CD2 3.85Å; I43-L79 HydrophobicContact CD1-CG 4.12Å; I43-V85 HydrophobicContact CD1-CG2 3.5Å; I43-V85 VanDerWaalsContact CD1-CG2 3.5Å; I43-V85 HydrophobicContact CG1-CG2 4.25Å
44Q95.1Very high93Very high153 Ų15360.9 Ų60.972%0.71534%0.335SS*.EExtended strand (participates in β ladder)trans-117106.1169.2-171.4177.4-32.900107.8L54 A55Q44-L54 WeakPolarHBondContact O-CA 3.2Å; Q44-A55 HydrophobicContact CB-CB 4.41Å; Q44-A55 PolarHBondContact N-O 3.08Å; Q44-A55 PolarHBondContact O-N 3.15Å
45C94.7Very high93.1Very high26 Ų2661.2 Ų61.218%0.17634%0.339CS..EExtended strand (participates in β ladder)trans-119.1119.3-179.1-168.20000109.3I43 L47 A53 L54 W77I43-C45 HydrophobicContact CG2-CB 4.23Å; C45-L47 VanDerWaalsContact SG-CD2 3.51Å; C45-A53 CarbonylContact C-O 3.51Å; C45-A53 WeakPolarHBondContact CA-O 3.32Å; C45-L54 HydrophobicContact CB-CD1 3.86Å; C45-W77 HydrophobicContact CB-CD2 4.11Å; C45-W77 HydrophobicContact CB-CG 3.86Å
46D94.3Very high93.3Very high79 Ų7957.8 Ų57.842%0.42232%0.316SS..EExtended strand (participates in β ladder)trans-114116.5174.9-172.2-17.5000108.1Q48 A53D46-Q48 VanDerWaalsContact OD1-CG 3.27Å; D46-Q48 WeakPolarHBondContact OD1-CG 3.48Å; D46-Q48 PolarHBondContact OD1-NE2 2.88Å; D46-Q48 PolarHBondContact OD2-NE2 3.04Å; D46-A53 HydrophobicContact CB-CB 4.28Å; D46-A53 PolarHBondContact N-O 3.34Å; D46-A53 PolarHBondContact O-N 3.43Å
47L94.3Very high93.2Very high30 Ų3055.8 Ų55.816%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-113.9116.5-179.1-54.5-176.6000108C45 V52 I87 L89C45-L47 VanDerWaalsContact SG-CD2 3.51Å; L47-V52 HydrophobicContact CD2-CG2 3.78Å; L47-I87 HydrophobicContact CD1-CG2 3.95Å; L47-I87 HydrophobicContact CD2-CG2 3.74Å; L47-L89 HydrophobicContact CB-CD2 4.47Å; L47-L89 HydrophobicContact CD1-CD2 4.07Å; L47-L89 HydrophobicContact CD2-CD2 4.05Å; L47-L89 HydrophobicContact CG-CD2 4.42Å
48Q93.8Very high93.2Very high87 Ų8757.4 Ų57.441%0.40733%0.332SS..EExtended strand (participates in β ladder)trans-123.3164.4177.9-55.5-176.9-6.700109.6D46 R50 H51 T70D46-Q48 VanDerWaalsContact OD1-CG 3.27Å; D46-Q48 WeakPolarHBondContact OD1-CG 3.48Å; D46-Q48 PolarHBondContact OD1-NE2 2.88Å; D46-Q48 PolarHBondContact OD2-NE2 3.04Å; Q48-R50 PolarHBondContact O-N 2.88Å; Q48-H51 WeakPolarHBondContact CA-O 3.38Å; Q48-H51 HydrophobicContact CB-CB 4.13Å; Q48-H51 PolarHBondContact N-O 2.94Å; Q48-H51 PolarHBondContact O-N 3.47Å; Q48-T70 PolarHBondContact O-OG1 3.01Å
49S92.1Very high93.2Very high56 Ų5665.7 Ų65.739%0.39236%0.362SS..THydrogen-bonded Turntrans-55.3-32-175.4-178.80000113S69 T70S49-S69 CarbonylContact O-C 3.49Å; S49-S69 VanDerWaalsContact O-CA 3.31Å; S49-S69 WeakPolarHBondContact O-CA 3.34Å; S49-T70 VanDerWaalsContact CA-O 3.26Å; S49-T70 WeakPolarHBondContact CA-O 2.94Å; S49-T70 WeakPolarHBondContact CB-O 3.4Å; S49-T70 PolarHBondContact O-N 2.86Å; S49-T70 PolarHBondContact O-OG1 3.05Å; S49-T70 PolarHBondContact OG-O 2.98Å
50R93.8Very high93.2Very high91 Ų9165.4 Ų65.434%0.34337%0.365SS..THydrogen-bonded Turntrans-131.813.2177.9-155.9161.7-179.7-130.7-10.4114.3Q48 K65 L66 E105Q48-R50 PolarHBondContact O-N 2.88Å; R50-K65 HydrophobicContact CG-CG 4.11Å; R50-K65 CarbonylContact O-C 3.57Å; R50-K65 WeakPolarHBondContact O-CA 3.5Å; R50-K65 WeakPolarHBondContact O-CG 3.37Å; R50-L66 PolarHBondContact O-N 2.74Å; R50-E105 IonicContact NH2-OE1 3.22Å; R50-E105 PolarHBondContact NH2-OE1 3.48Å
51H94.3Very high93.4Very high84 Ų8464.5 Ų64.539%0.38935%0.352SS..EExtended strand (participates in β ladder)trans-138.4146.9179-66.587.9000110.4Q48 G64Q48-H51 WeakPolarHBondContact CA-O 3.38Å; Q48-H51 HydrophobicContact CB-CB 4.13Å; Q48-H51 PolarHBondContact N-O 2.94Å; Q48-H51 PolarHBondContact O-N 3.47Å; H51-G64 WeakPolarHBondContact CA-O 3.3Å
52V95Very high93.4Very high2 Ų258.1 Ų58.11%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-130.8137172.260.60000108.2L47 L62 K63 G64 L66 I87 L104L47-V52 HydrophobicContact CD2-CG2 3.78Å; V52-L62 HydrophobicContact CG1-CD2 3.95Å; V52-L62 HydrophobicContact CG1-CG 4.16Å; V52-L62 HydrophobicContact CG2-CD2 3.98Å; V52-K63 WeakPolarHBondContact O-CA 3.29Å; V52-G64 PolarHBondContact N-O 2.92Å; V52-G64 PolarHBondContact O-N 2.82Å; V52-L66 HydrophobicContact CB-CD2 4.01Å; V52-L66 HydrophobicContact CB-CG 4.44Å; V52-L66 HydrophobicContact CG1-CD2 3.58Å; V52-L66 HydrophobicContact CG1-CG 4.25Å; V52-I87 HydrophobicContact CG2-CD1 4.4Å; V52-L104 HydrophobicContact CG1-CD2 3.68Å
53A95.1Very high93.5Very high27 Ų2761.6 Ų61.622%0.22334%0.335CS..EExtended strand (participates in β ladder)trans-138.1129169.500000109.9C45 D46 L62 K63C45-A53 CarbonylContact C-O 3.51Å; C45-A53 WeakPolarHBondContact CA-O 3.32Å; D46-A53 HydrophobicContact CB-CB 4.28Å; D46-A53 PolarHBondContact N-O 3.34Å; D46-A53 PolarHBondContact O-N 3.43Å; A53-L62 CarbonylContact C-O 3.55Å; A53-L62 WeakPolarHBondContact CA-O 3.41Å; A53-K63 HydrophobicContact CB-CB 4.41Å; A53-K63 HydrophobicContact CB-CG 4.08Å
54L95.1Very high93.4Very high2 Ų261.8 Ų61.81%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-130.4122.8175.5-179.970.9000109V32 I43 Q44 C45 V56 I61 L62 V85 I87V32-L54 HydrophobicContact CB-CD2 3.88Å; V32-L54 HydrophobicContact CG1-CD2 3.84Å; V32-L54 HydrophobicContact CG2-CD2 3.59Å; I43-L54 HydrophobicContact CG2-CD1 3.73Å; Q44-L54 WeakPolarHBondContact O-CA 3.2Å; C45-L54 HydrophobicContact CB-CD1 3.86Å; L54-V56 HydrophobicContact CG-CG2 4.46Å; L54-I61 PolarHBondContact O-N 3.31Å; L54-L62 HydrophobicContact CB-CB 4.25Å; L54-L62 PolarHBondContact N-O 2.86Å; L54-L62 PolarHBondContact O-N 3.2Å; L54-V85 HydrophobicContact CD1-CG1 4.15Å; L54-V85 HydrophobicContact CD2-CB 4.46Å; L54-V85 HydrophobicContact CD2-CG1 4.27Å; L54-I87 HydrophobicContact CB-CD1 4.41Å; L54-I87 HydrophobicContact CD2-CD1 4.2Å
55A94.8Very high93.4Very high20 Ų2057.6 Ų57.617%0.16532%0.321CS..EExtended strand (participates in β ladder)trans-125.5144.3170.100000110.5Q44 R59Q44-A55 HydrophobicContact CB-CB 4.41Å; Q44-A55 PolarHBondContact N-O 3.08Å; Q44-A55 PolarHBondContact O-N 3.15Å; A55-R59 CarbonylContact C-O 3.54Å; A55-R59 WeakPolarHBondContact CA-O 3.15Å; A55-R59 WeakPolarHBondContact CB-O 3.31Å
56V93.8Very high93.4Very high15 Ų1556.4 Ų56.49%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-130.6122.1-179-1760000108.8V34 T38 D42 I43 L54 G58 R59 I61V34-V56 HydrophobicContact CB-CG1 4.43Å; V34-V56 HydrophobicContact CG1-CG1 4.23Å; V34-V56 HydrophobicContact CG1-CG2 3.82Å; T38-V56 HydrophobicContact CG2-CG1 3.58Å; D42-V56 CarbonylContact O-C 3.57Å; D42-V56 WeakPolarHBondContact O-CA 3.45Å; I43-V56 HydrophobicContact CG1-CG2 4.46Å; L54-V56 HydrophobicContact CG-CG2 4.46Å; V56-G58 PolarHBondContact O-N 2.92Å; V56-R59 PolarHBondContact N-O 2.84Å; V56-R59 PolarHBondContact O-N 2.83Å; V56-I61 HydrophobicContact CB-CG1 4.31Å; V56-I61 HydrophobicContact CG2-CG1 4.06Å
57G89.6Confident93.4Very high63 Ų6355.7 Ų55.765%0.64931%0.306SS*.THydrogen-bonded Turntrans58.431.3-177.800000113.5D42 R59D42-G57 PolarHBondContact O-N 3.14Å; G57-R59 VanDerWaalsContact C-N 3.31Å; G57-R59 PolarHBondContact O-N 2.82Å
58G88.8Confident93.3Very high81 Ų8155.5 Ų55.584%0.83531%0.305SS*.THydrogen-bonded Turntrans81.3-0.1-176.200000115.3V56V56-G58 PolarHBondContact O-N 2.92Å
59R91.1Very high93.2Very high186 Ų18652.7 Ų52.770%0.70230%0.295SS*.EExtended strand (participates in β ladder)trans-96.5123.2173-177.4179.1174.6-178.6-1.9110.3A55 V56 G57 I61A55-R59 CarbonylContact C-O 3.54Å; A55-R59 WeakPolarHBondContact CA-O 3.15Å; A55-R59 WeakPolarHBondContact CB-O 3.31Å; V56-R59 PolarHBondContact N-O 2.84Å; V56-R59 PolarHBondContact O-N 2.83Å; G57-R59 VanDerWaalsContact C-N 3.31Å; G57-R59 PolarHBondContact O-N 2.82Å; R59-I61 HydrophobicContact CG-CD1 4.12Å; R59-I61 PolarHBondContact O-N 2.82Å
60E93.7Very high93.2Very high111 Ų11150.1 Ų50.152%0.51928%0.277SS..EExtended strand (participates in β ladder)trans-68.5124.9172.2-163.9175.298.400109.7K63E60-K63 HydrophobicContact CG-CB 3.93Å; E60-K63 HydrophobicContact CG-CD 4.29Å; E60-K63 WeakPolarHBondContact OE1-CB 3.34Å; E60-K63 WeakPolarHBondContact OE1-CD 3.25Å; E60-K63 WeakPolarHBondContact OE2-CD 3.32Å; E60-K63 IonicContact OE2-NZ 3.08Å; E60-K63 PolarHBondContact OE2-NZ 3.1Å
61I92.6Very high93.1Very high39 Ų3948.5 Ų48.520%0.227%0.274CS..EExtended strand (participates in β ladder)trans-105.7-44.9-179-54.3-60.8000110.5W18 V32 L54 V56 R59W18-I61 HydrophobicContact CB-CG2 3.61Å; W18-I61 HydrophobicContact CD2-CG2 4.4Å; W18-I61 HydrophobicContact CG-CG2 3.77Å; V32-I61 HydrophobicContact CG1-CG2 3.58Å; L54-I61 PolarHBondContact O-N 3.31Å; V56-I61 HydrophobicContact CB-CG1 4.31Å; V56-I61 HydrophobicContact CG2-CG1 4.06Å; R59-I61 HydrophobicContact CG-CD1 4.12Å; R59-I61 PolarHBondContact O-N 2.82Å
62L92.7Very high92.8Very high1 Ų146.1 Ų46.11%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-138.1128.8179.917167.3000107.8W18 I30 V52 A53 L54 L103 L104 Y108W18-L62 HydrophobicContact CH2-CD2 4.41Å; W18-L62 HydrophobicContact CZ2-CD1 3.86Å; W18-L62 HydrophobicContact CZ2-CD2 4.38Å; I30-L62 HydrophobicContact CD1-CD2 4.21Å; I30-L62 HydrophobicContact CG2-CD2 4.21Å; V52-L62 HydrophobicContact CG1-CD2 3.95Å; V52-L62 HydrophobicContact CG1-CG 4.16Å; V52-L62 HydrophobicContact CG2-CD2 3.98Å; A53-L62 CarbonylContact C-O 3.55Å; A53-L62 WeakPolarHBondContact CA-O 3.41Å; L54-L62 HydrophobicContact CB-CB 4.25Å; L54-L62 PolarHBondContact N-O 2.86Å; L54-L62 PolarHBondContact O-N 3.2Å; L62-L103 HydrophobicContact CD1-CD2 4.25Å; L62-L103 HydrophobicContact CD2-CD2 4.21Å; L62-L104 HydrophobicContact CD1-CD1 3.81Å; L62-L104 HydrophobicContact CD1-CD2 4.44Å; L62-L104 HydrophobicContact CD1-CG 4.26Å; L62-Y108 HydrophobicContact CD1-CD2 4.23Å; L62-Y108 HydrophobicContact CD1-CE2 3.66Å
63K94Very high92.5Very high124 Ų12453.8 Ų53.854%0.53931%0.31SS..EExtended strand (participates in β ladder)trans-154.3131.9169.1-178.6175.7178.4-174.90110.8V52 A53 E60V52-K63 WeakPolarHBondContact O-CA 3.29Å; A53-K63 HydrophobicContact CB-CB 4.41Å; A53-K63 HydrophobicContact CB-CG 4.08Å; E60-K63 HydrophobicContact CG-CB 3.93Å; E60-K63 HydrophobicContact CG-CD 4.29Å; E60-K63 WeakPolarHBondContact OE1-CB 3.34Å; E60-K63 WeakPolarHBondContact OE1-CD 3.25Å; E60-K63 WeakPolarHBondContact OE2-CD 3.32Å; E60-K63 IonicContact OE2-NZ 3.08Å; E60-K63 PolarHBondContact OE2-NZ 3.1Å
64G93.8Very high92.3Very high21 Ų2157.4 Ų57.422%0.21632%0.322CS..EExtended strand (participates in β ladder)trans164.5-169169.200000113.1H51 V52H51-G64 WeakPolarHBondContact CA-O 3.3Å; V52-G64 PolarHBondContact N-O 2.92Å; V52-G64 PolarHBondContact O-N 2.82Å
65K94.9Very high92.1Very high65 Ų6558.1 Ų58.128%0.28333%0.331SS..EExtended strand (participates in β ladder)trans-89.6126.5-179-172.6173.7163.6-147.70109.7R50 L104 E105R50-K65 HydrophobicContact CG-CG 4.11Å; R50-K65 CarbonylContact O-C 3.57Å; R50-K65 WeakPolarHBondContact O-CA 3.5Å; R50-K65 WeakPolarHBondContact O-CG 3.37Å; K65-L104 CarbonylContact O-C 3.53Å; K65-L104 VanDerWaalsContact O-CA 3.23Å; K65-L104 WeakPolarHBondContact O-CA 3.48Å; K65-L104 WeakPolarHBondContact O-CB 3.45Å; K65-E105 VanDerWaalsContact CD-OE2 3.31Å; K65-E105 WeakPolarHBondContact CD-OE2 3.39Å; K65-E105 WeakPolarHBondContact CE-OE2 3.31Å; K65-E105 IonicContact NZ-OE1 3.28Å; K65-E105 PolarHBondContact NZ-OE1 2.86Å; K65-E105 IonicContact NZ-OE2 2.71Å; K65-E105 PolarHBondContact NZ-OE2 3.25Å; K65-E105 PolarHBondContact O-N 3.44Å
66L94.6Very high92.1Very high1 Ų160.8 Ų60.81%0.00535%0.345CS..BIsolated β-bridgetrans-63.8152.8178.5-65.7169.5000110.7R50 V52 D68 T70 L89 W100 L104R50-L66 PolarHBondContact O-N 2.74Å; V52-L66 HydrophobicContact CB-CD2 4.01Å; V52-L66 HydrophobicContact CB-CG 4.44Å; V52-L66 HydrophobicContact CG1-CD2 3.58Å; V52-L66 HydrophobicContact CG1-CG 4.25Å; L66-D68 WeakPolarHBondContact CB-O 3.33Å; L66-T70 HydrophobicContact CD1-CG2 3.9Å; L66-L89 HydrophobicContact CD1-CD1 4.06Å; L66-L89 HydrophobicContact CD2-CD1 3.85Å; L66-W100 HydrophobicContact CB-CH2 3.83Å; L66-W100 HydrophobicContact CB-CZ3 4.11Å; L66-W100 HydrophobicContact CD1-CH2 4.31Å; L66-W100 HydrophobicContact CD2-CH2 4.07Å; L66-W100 HydrophobicContact CD2-CZ3 3.92Å; L66-W100 HydrophobicContact CG-CH2 4.29Å; L66-L104 HydrophobicContact CD2-CD2 4.3Å
67F93.1Very high92.2Very high64 Ų6464.4 Ų64.428%0.28136%0.357SS..SBendtrans-55.8-52.7177.6178-97.4000111.9W100 T101 S102 L103F67-W100 HydrophobicContact CB-CD2 3.96Å; F67-W100 HydrophobicContact CB-CE3 3.77Å; F67-W100 HydrophobicContact CB-CG 4.35Å; F67-W100 HydrophobicContact CB-CZ3 4.23Å; F67-W100 HydrophobicContact CD1-CB 3.99Å; F67-W100 AromaticContact CD1-CD1 3.89Å; F67-W100 HydrophobicContact CD1-CD2 4.09Å; F67-W100 AromaticContact CD1-CG 3.73Å; F67-W100 HydrophobicContact CD1-CG 3.73Å; F67-W100 HydrophobicContact CE1-CG 4.5Å; F67-W100 HydrophobicContact CG-CB 4.43Å; F67-W100 HydrophobicContact CG-CD2 4.46Å; F67-W100 HydrophobicContact CG-CG 4.37Å; F67-T101 WeakPolarHBondContact CE2-OG1 3.48Å; F67-S102 VanDerWaalsContact CB-O 3.27Å; F67-S102 WeakPolarHBondContact CB-O 3.46Å; F67-S102 WeakPolarHBondContact CD2-OG 3.44Å; F67-L103 PolarHBondContact N-O 3.41Å
68D92.2Very high92.4Very high25 Ų2564.5 Ų64.513%0.13435%0.345CS..SBendtrans-128.9176.5171.5-152.3-23.9000110.7L66 K93 N98 W100L66-D68 WeakPolarHBondContact CB-O 3.33Å; D68-K93 IonicContact OD1-NZ 3.98Å; D68-K93 PolarHBondContact OD1-NZ 2.99Å; D68-K93 IonicContact OD2-NZ 2.86Å; D68-K93 PolarHBondContact OD2-NZ 2.84Å; D68-N98 PolarHBondContact OD2-OD1 2.87Å; D68-W100 HydrophobicContact CB-CZ2 4.18Å; D68-W100 WeakPolarHBondContact O-CZ2 3.42Å
69S91.6Very high92.7Very high28 Ų2862.8 Ų62.820%0.19632%0.316CS..  trans-69.4142.9177.155.70000113.1S49 T92S49-S69 CarbonylContact O-C 3.49Å; S49-S69 VanDerWaalsContact O-CA 3.31Å; S49-S69 WeakPolarHBondContact O-CA 3.34Å; S69-T92 PolarHBondContact O-N 3.29Å; S69-T92 PolarHBondContact O-OG1 3.02Å
70T92.8Very high92.7Very high2 Ų257.3 Ų57.31%0.01230%0.299CS..BIsolated β-bridgetrans-124.3159.4175.958.20000109.3Q48 S49 L66 A72 L89 T90 T92 W100Q48-T70 PolarHBondContact O-OG1 3.01Å; S49-T70 VanDerWaalsContact CA-O 3.26Å; S49-T70 WeakPolarHBondContact CA-O 2.94Å; S49-T70 WeakPolarHBondContact CB-O 3.4Å; S49-T70 PolarHBondContact O-N 2.86Å; S49-T70 PolarHBondContact O-OG1 3.05Å; S49-T70 PolarHBondContact OG-O 2.98Å; L66-T70 HydrophobicContact CD1-CG2 3.9Å; T70-A72 PolarHBondContact O-N 3.28Å; T70-L89 HydrophobicContact CG2-CB 3.94Å; T70-L89 HydrophobicContact CG2-CD1 4.41Å; T70-T90 CarbonylContact C-O 3.54Å; T70-T90 WeakPolarHBondContact CA-O 3.36Å; T70-T90 WeakPolarHBondContact CB-O 3.39Å; T70-T92 PolarHBondContact N-OG1 2.89Å; T70-W100 HydrophobicContact CG2-CH2 3.68Å; T70-W100 HydrophobicContact CG2-CZ2 3.79Å
71I92.3Very high92.5Very high57 Ų5759.1 Ų59.129%0.29231%0.312SS..  trans-83.598174.5-53.8175.4000106.8D73 E74 G75 T90I71-D73 PolarHBondContact O-N 3.19Å; I71-E74 HydrophobicContact CB-CB 4.34Å; I71-E74 HydrophobicContact CB-CG 4.42Å; I71-E74 HydrophobicContact CG2-CB 4.19Å; I71-E74 HydrophobicContact CG2-CG 3.84Å; I71-E74 PolarHBondContact O-N 3.28Å; I71-G75 PolarHBondContact O-N 3.29Å; I71-T90 HydrophobicContact CD1-CG2 4.05Å; I71-T90 PolarHBondContact N-O 2.8Å
72A87.9Confident92.3Very high34 Ų3464.4 Ų64.428%0.28133%0.329SS..G310 helixtrans-54.8-39.4-173.100000112.8T70 E74 G75T70-A72 PolarHBondContact O-N 3.28Å; A72-E74 PolarHBondContact O-N 2.98Å; A72-G75 PolarHBondContact O-N 3Å; A72-G75 VanDerWaalsContact O-N 3.11Å
73D88.5Confident92.2Very high163 Ų16369.7 Ų69.787%0.87235%0.352SS*.G310 helixtrans-68.8-19.2-176.9-63.7-11.6000113.3I71I71-D73 PolarHBondContact O-N 3.19Å
74E90.1Very high92.2Very high103 Ų10365 Ų6548%0.48133%0.333SS..G310 helixtrans-100.4-4.6176.2-63.7-175.5-179.100112.5I71 A72 T76 T90I71-E74 HydrophobicContact CB-CB 4.34Å; I71-E74 HydrophobicContact CB-CG 4.42Å; I71-E74 HydrophobicContact CG2-CB 4.19Å; I71-E74 HydrophobicContact CG2-CG 3.84Å; I71-E74 PolarHBondContact O-N 3.28Å; A72-E74 PolarHBondContact O-N 2.98Å; E74-T76 PolarHBondContact O-N 3.31Å; E74-T90 VanDerWaalsContact CB-OG1 3.3Å; E74-T90 WeakPolarHBondContact CB-OG1 3.26Å; E74-T90 VanDerWaalsContact OE2-CB 3.32Å; E74-T90 WeakPolarHBondContact OE2-CB 3.45Å; E74-T90 VanDerWaalsContact OE2-CG2 3.25Å; E74-T90 WeakPolarHBondContact OE2-CG2 3.33Å; E74-T90 PolarHBondContact OE2-OG1 3.1Å
75G91Very high92.2Very high18 Ų1864 Ų6419%0.18632%0.323CS..  trans-65.1124.8174.200000110.7I71 A72 V88I71-G75 PolarHBondContact O-N 3.29Å; A72-G75 PolarHBondContact O-N 3Å; A72-G75 VanDerWaalsContact O-N 3.11Å; G75-V88 WeakPolarHBondContact CA-O 2.91Å
76T94.8Very high92.2Very high75 Ų7564 Ų6446%0.4632%0.32SS..EExtended strand (participates in β ladder)trans-126.5152.717860.10000110.9E74 I87 V88E74-T76 PolarHBondContact O-N 3.31Å; T76-I87 CarbonylContact O-C 3.59Å; T76-I87 WeakPolarHBondContact O-CA 3.43Å; T76-V88 PolarHBondContact N-O 3.24Å; T76-V88 PolarHBondContact O-N 3.29Å
77W95.4Very high92.3Very high91 Ų9163.9 Ų63.935%0.34532%0.32SS..EExtended strand (participates in β ladder)trans-134.1146169.867.8-91.2000109.6A40 I43 C45 V85 R86 I87A40-W77 HydrophobicContact CB-CH2 4.33Å; I43-W77 HydrophobicContact CB-CH2 4.16Å; I43-W77 HydrophobicContact CB-CZ3 4.16Å; I43-W77 HydrophobicContact CD1-CZ3 3.82Å; I43-W77 HydrophobicContact CG2-CE3 4.16Å; I43-W77 HydrophobicContact CG2-CH2 4.07Å; I43-W77 HydrophobicContact CG2-CZ2 4.49Å; I43-W77 HydrophobicContact CG2-CZ3 3.9Å; C45-W77 HydrophobicContact CB-CD2 4.11Å; C45-W77 HydrophobicContact CB-CG 3.86Å; W77-V85 HydrophobicContact CE3-CG1 4.46Å; W77-R86 CarbonylContact C-O 3.3Å; W77-R86 VanDerWaalsContact CA-O 3.26Å; W77-R86 WeakPolarHBondContact CA-O 3.47Å; W77-I87 HydrophobicContact CB-CG1 4Å
78T95Very high92.4Very high65 Ų6561.6 Ų61.640%0.39931%0.311SS..EExtended strand (participates in β ladder)trans-135.2152179.858.10000109.7V85 R86T78-V85 CarbonylContact O-C 3.51Å; T78-V85 VanDerWaalsContact O-CA 3.31Å; T78-V85 WeakPolarHBondContact O-CA 3.1Å; T78-R86 PolarHBondContact N-O 2.59Å; T78-R86 PolarHBondContact O-N 2.86Å; T78-R86 PolarHBondContact OG1-O 2.97Å
79L94.5Very high92.5Very high45 Ų4560.5 Ų60.524%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-109.8109.2173.7173.363000108.3V34 T38 I43 M84 V85V34-L79 HydrophobicContact CG2-CD1 4.07Å; T38-L79 WeakPolarHBondContact O-CD2 3.49Å; I43-L79 HydrophobicContact CD1-CB 3.96Å; I43-L79 HydrophobicContact CD1-CD1 3.93Å; I43-L79 HydrophobicContact CD1-CD2 3.85Å; I43-L79 HydrophobicContact CD1-CG 4.12Å; L79-M84 CarbonylContact C-O 3.56Å; L79-M84 WeakPolarHBondContact CA-O 3.19Å; L79-V85 HydrophobicContact CD1-CG2 3.97Å
80E91.8Very high92.5Very high72 Ų7259.7 Ų59.734%0.33630%0.3SS..EExtended strand (participates in β ladder)trans-94.1128.9179.9-61.6-173.5-16700110.1R82 K83 M84 R86E80-R82 PolarHBondContact O-N 2.91Å; E80-K83 PolarHBondContact O-N 2.94Å; E80-M84 HydrophobicContact CB-CE 4.17Å; E80-M84 HydrophobicContact CG-CE 4.28Å; E80-M84 PolarHBondContact N-O 2.94Å; E80-M84 PolarHBondContact O-N 3.02Å; E80-M84 WeakPolarHBondContact OE2-CE 3.42Å; E80-R86 WeakPolarHBondContact OE1-CD 3.21Å
81D90Very high92.5Very high148 Ų14859.6 Ų59.679%0.79130%0.299SS*.THydrogen-bonded Turntrans49.320.3176.4-65-34.3000116.4K83D81-K83 PolarHBondContact O-N 3.41Å
82R87.6Confident92.4Very high150 Ų15060.3 Ų60.357%0.56631%0.306SS*.THydrogen-bonded Turntrans55.329-173.4-57.5-173.7-174.6-177.21.9113.5G37 T38 E80G37-R82 PolarHBondContact N-O 2.77Å; T38-R82 VanDerWaalsContact O-CB 3.26Å; T38-R82 WeakPolarHBondContact O-CB 3.29Å; T38-R82 WeakPolarHBondContact O-CG 3.34Å; E80-R82 PolarHBondContact O-N 2.91Å
83K90.8Very high92.3Very high112 Ų11263.5 Ų63.549%0.48731%0.313SS..THydrogen-bonded Turntrans-137.6-20-175.7-72.1176.5-175.7178.50113.3Q33 V34 P36 E80 D81Q33-K83 PolarHBondContact OE1-O 3.41Å; V34-K83 WeakPolarHBondContact CG2-O 3.37Å; V34-K83 PolarHBondContact N-O 2.99Å; V34-K83 VanDerWaalsContact O-O 3.09Å; P36-K83 HydrophobicContact CB-CG 4.07Å; P36-K83 HydrophobicContact CG-CG 4.23Å; E80-K83 PolarHBondContact O-N 2.94Å; D81-K83 PolarHBondContact O-N 3.41Å
84M93.3Very high91.9Very high27 Ų2762 Ų6213%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-137.7132179.5-174.2178.97800110.6E31 V32 L79 E80 R86E31-M84 HydrophobicContact CB-CG 4.44Å; E31-M84 HydrophobicContact CB-SD 4.02Å; E31-M84 HydrophobicContact CG-CE 4.33Å; E31-M84 HydrophobicContact CG-SD 4.07Å; V32-M84 CarbonylContact O-C 3.54Å; V32-M84 WeakPolarHBondContact O-CA 3.45Å; L79-M84 CarbonylContact C-O 3.56Å; L79-M84 WeakPolarHBondContact CA-O 3.19Å; E80-M84 HydrophobicContact CB-CE 4.17Å; E80-M84 HydrophobicContact CG-CE 4.28Å; E80-M84 PolarHBondContact N-O 2.94Å; E80-M84 PolarHBondContact O-N 3.02Å; E80-M84 WeakPolarHBondContact OE2-CE 3.42Å; M84-R86 HydrophobicContact CE-CB 4.42Å
85V95.1Very high91.3Very high0 Ų061.8 Ų61.80%030%0.297CS..EExtended strand (participates in β ladder)trans-97.6121.9168.5179.20000107.8V32 V34 I43 L54 W77 T78 L79 I87V32-V85 HydrophobicContact CB-CB 4.35Å; V32-V85 PolarHBondContact N-O 3.35Å; V32-V85 PolarHBondContact O-N 2.76Å; V34-V85 HydrophobicContact CG1-CG2 3.76Å; V34-V85 HydrophobicContact CG2-CG2 4.24Å; I43-V85 HydrophobicContact CD1-CG2 3.5Å; I43-V85 VanDerWaalsContact CD1-CG2 3.5Å; I43-V85 HydrophobicContact CG1-CG2 4.25Å; L54-V85 HydrophobicContact CD1-CG1 4.15Å; L54-V85 HydrophobicContact CD2-CB 4.46Å; L54-V85 HydrophobicContact CD2-CG1 4.27Å; W77-V85 HydrophobicContact CE3-CG1 4.46Å; T78-V85 CarbonylContact O-C 3.51Å; T78-V85 VanDerWaalsContact O-CA 3.31Å; T78-V85 WeakPolarHBondContact O-CA 3.1Å; L79-V85 HydrophobicContact CD1-CG2 3.97Å; V85-I87 HydrophobicContact CG1-CG1 4.24Å
86R95.1Very high90.3Very high63 Ų6361 Ų6124%0.23829%0.289CS..EExtended strand (participates in β ladder)trans-108.3116.6176.7-171.3174.7-168.7-134.2-1.9109.2Y22 F29 I30 E31 W77 T78 E80 M84Y22-R86 PolarHBondContact OH-NE 2.81Å; Y22-R86 PolarHBondContact OH-NH2 3.4Å; F29-R86 VanDerWaalsContact CD1-NH2 3.28Å; I30-R86 CarbonylContact O-C 3.55Å; I30-R86 WeakPolarHBondContact O-CA 3.16Å; E31-R86 HydrophobicContact CG-CG 4.15Å; E31-R86 IonicContact OE1-NE 3.47Å; W77-R86 CarbonylContact C-O 3.3Å; W77-R86 VanDerWaalsContact CA-O 3.26Å; W77-R86 WeakPolarHBondContact CA-O 3.47Å; T78-R86 PolarHBondContact N-O 2.59Å; T78-R86 PolarHBondContact O-N 2.86Å; T78-R86 PolarHBondContact OG1-O 2.97Å; E80-R86 WeakPolarHBondContact OE1-CD 3.21Å; M84-R86 HydrophobicContact CE-CB 4.42Å
87I95.4Very high89.4Confident0 Ų060.3 Ų60.30%029%0.291CS..EExtended strand (participates in β ladder)trans-103.3133.5174.9-52.2172000107.8F29 I30 L47 V52 L54 T76 W77 V85 L89F29-I87 CarbonylContact C-O 3.44Å; F29-I87 WeakPolarHBondContact CA-O 3.36Å; I30-I87 HydrophobicContact CB-CB 4.08Å; I30-I87 HydrophobicContact CD1-CB 4.31Å; I30-I87 HydrophobicContact CD1-CD1 4.49Å; I30-I87 HydrophobicContact CD1-CG2 4.34Å; I30-I87 HydrophobicContact CG1-CB 4.45Å; I30-I87 PolarHBondContact N-O 2.84Å; I30-I87 PolarHBondContact O-N 2.8Å; L47-I87 HydrophobicContact CD1-CG2 3.95Å; L47-I87 HydrophobicContact CD2-CG2 3.74Å; V52-I87 HydrophobicContact CG2-CD1 4.4Å; L54-I87 HydrophobicContact CB-CD1 4.41Å; L54-I87 HydrophobicContact CD2-CD1 4.2Å; T76-I87 CarbonylContact O-C 3.59Å; T76-I87 WeakPolarHBondContact O-CA 3.43Å; W77-I87 HydrophobicContact CB-CG1 4Å; V85-I87 HydrophobicContact CG1-CG1 4.24Å; I87-L89 HydrophobicContact CG2-CD2 3.85Å; I87-L89 HydrophobicContact CG2-CG 4.06Å
88V95Very high88.7Confident16 Ų1656.8 Ų56.810%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-119.2123.4174.9-171.10000107.8E27 F29 G75 T76E27-V88 HydrophobicContact CB-CG1 4.31Å; E27-V88 HydrophobicContact CG-CG1 4.35Å; F29-V88 HydrophobicContact CD1-CB 4.38Å; F29-V88 HydrophobicContact CD1-CG1 4.05Å; F29-V88 HydrophobicContact CD1-CG2 3.76Å; F29-V88 HydrophobicContact CE1-CB 4.33Å; F29-V88 HydrophobicContact CE1-CG1 3.64Å; F29-V88 HydrophobicContact CE1-CG2 3.8Å; F29-V88 HydrophobicContact CZ-CG1 4.15Å; G75-V88 WeakPolarHBondContact CA-O 2.91Å; T76-V88 PolarHBondContact N-O 3.24Å; T76-V88 PolarHBondContact O-N 3.29Å
89L94.2Very high88.3Confident2 Ų254.3 Ų54.31%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-119.1123179.4-56.8176.4000109.9E27 V28 I30 L47 L66 T70 I87E27-L89 CarbonylContact C-O 3.52Å; E27-L89 VanDerWaalsContact CA-O 3.29Å; E27-L89 WeakPolarHBondContact CA-O 3.37Å; V28-L89 HydrophobicContact CB-CB 4.37Å; V28-L89 PolarHBondContact N-O 2.86Å; V28-L89 PolarHBondContact O-N 2.62Å; I30-L89 HydrophobicContact CD1-CD1 3.93Å; L47-L89 HydrophobicContact CB-CD2 4.47Å; L47-L89 HydrophobicContact CD1-CD2 4.07Å; L47-L89 HydrophobicContact CD2-CD2 4.05Å; L47-L89 HydrophobicContact CG-CD2 4.42Å; L66-L89 HydrophobicContact CD1-CD1 4.06Å; L66-L89 HydrophobicContact CD2-CD1 3.85Å; T70-L89 HydrophobicContact CG2-CB 3.94Å; T70-L89 HydrophobicContact CG2-CD1 4.41Å; I87-L89 HydrophobicContact CG2-CD2 3.85Å; I87-L89 HydrophobicContact CG2-CG 4.06Å
90T92.7Very high88.1Confident11 Ų1152.1 Ų52.17%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-77.9126.2173-45.80000110.6T70 I71 E74T70-T90 CarbonylContact C-O 3.54Å; T70-T90 WeakPolarHBondContact CA-O 3.36Å; T70-T90 WeakPolarHBondContact CB-O 3.39Å; I71-T90 HydrophobicContact CD1-CG2 4.05Å; I71-T90 PolarHBondContact N-O 2.8Å; E74-T90 VanDerWaalsContact CB-OG1 3.3Å; E74-T90 WeakPolarHBondContact CB-OG1 3.26Å; E74-T90 VanDerWaalsContact OE2-CB 3.32Å; E74-T90 WeakPolarHBondContact OE2-CB 3.45Å; E74-T90 VanDerWaalsContact OE2-CG2 3.25Å; E74-T90 WeakPolarHBondContact OE2-CG2 3.33Å; E74-T90 PolarHBondContact OE2-OG1 3.1Å
91K91.8Very high88.1Confident0 Ų051 Ų510%025%0.251CS..BIsolated β-bridgetrans-71.9136.5175.2-63.2174176179.80110.4T24 E26 V28 K93 R94T24-K91 PolarHBondContact O-NZ 2.77Å; E26-K91 WeakPolarHBondContact O-CB 3.21Å; E26-K91 PolarHBondContact O-N 2.86Å; V28-K91 HydrophobicContact CG2-CD 4.24Å; V28-K91 HydrophobicContact CG2-CG 3.95Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K91-R94 WeakPolarHBondContact O-CG 3.31Å
92T90.1Very high88.2Confident71 Ų7144.4 Ų44.444%0.43622%0.217SC..SBendtrans-68-36.6173-52.30000111.6S69 T70S69-T92 PolarHBondContact O-N 3.29Å; S69-T92 PolarHBondContact O-OG1 3.02Å; T70-T92 PolarHBondContact N-OG1 2.89Å
93K85.6Confident88.4Confident101 Ų10137.3 Ų37.344%0.43919%0.19SC..  trans-106.4110.5176.2-57.6174.6-163.2147.10109.7D68 K91 D95 N98D68-K93 IonicContact OD1-NZ 3.98Å; D68-K93 PolarHBondContact OD1-NZ 2.99Å; D68-K93 IonicContact OD2-NZ 2.86Å; D68-K93 PolarHBondContact OD2-NZ 2.84Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K93-D95 PolarHBondContact O-N 2.99Å; K93-N98 HydrophobicContact CB-CB 4.21Å; K93-N98 PolarHBondContact O-ND2 3.17Å
94R81.2Confident88.5Confident133 Ų13332 Ų3250%0.50217%0.167SC..  trans-101.446.3-174-59.4-175.5-76.9173.9-10.4112.1L25 E26 K91L25-R94 WeakPolarHBondContact O-CA 3.41Å; E26-R94 HydrophobicContact CB-CG 4.34Å; E26-R94 HydrophobicContact CG-CB 4.41Å; E26-R94 HydrophobicContact CG-CG 4.36Å; E26-R94 IonicContact OE2-CZ 2.96Å; E26-R94 IonicContact OE2-NH1 2.9Å; E26-R94 PolarHBondContact OE2-NH1 2.79Å; K91-R94 WeakPolarHBondContact O-CG 3.31Å
95D76.3Confident88.4Confident97 Ų9735.8 Ų35.852%0.51918%0.184SC..  trans-108.5146.1-178.7-62-49.5000110.4K93 A97 N98K93-D95 PolarHBondContact O-N 2.99Å; D95-A97 HydrophobicContact CB-CB 4.48Å; D95-A97 PolarHBondContact O-N 3.46Å; D95-A97 VanDerWaalsContact O-N 3.13Å; D95-N98 WeakPolarHBondContact O-CA 3.39Å; D95-N98 WeakPolarHBondContact O-CB 3.45Å; D95-N98 PolarHBondContact O-N 2.72Å
96A70.9Confident87.7Confident1 Ų140.8 Ų40.81%0.00822%0.219CC..THydrogen-bonded Turntrans-61.6-21.5173.500000112.6L25 N98 Q119 R126L25-A96 VanDerWaalsContact CD2-CA 3.46Å; L25-A96 HydrophobicContact CD2-CB 3.76Å; A96-N98 VanDerWaalsContact C-N 3.26Å; A96-Q119 PolarHBondContact O-NE2 2.74Å; A96-R126 HydrophobicContact CB-CB 4.14Å
97A75.8Confident87.3Confident61 Ų6142.3 Ų42.350%0.50423%0.229SC..THydrogen-bonded Turntrans-70.5-22.317200000112.9D95 C99 K147D95-A97 HydrophobicContact CB-CB 4.48Å; D95-A97 PolarHBondContact O-N 3.46Å; D95-A97 VanDerWaalsContact O-N 3.13Å; A97-C99 VanDerWaalsContact C-N 3.27Å; A97-C99 PolarHBondContact O-N 2.74Å; A97-K147 HydrophobicContact CB-CB 4.43Å; A97-K147 WeakPolarHBondContact CB-O 3.37Å
98N81.5Confident87Confident18 Ų1844.8 Ų44.810%0.09624%0.238CC..  trans-93.250.5178.4-164.444.2000111.6D68 K93 D95 A96 W100D68-N98 PolarHBondContact OD2-OD1 2.87Å; K93-N98 HydrophobicContact CB-CB 4.21Å; K93-N98 PolarHBondContact O-ND2 3.17Å; D95-N98 WeakPolarHBondContact O-CA 3.39Å; D95-N98 WeakPolarHBondContact O-CB 3.45Å; D95-N98 PolarHBondContact O-N 2.72Å; A96-N98 VanDerWaalsContact C-N 3.26Å; N98-W100 PolarHBondContact O-N 3.48Å
99C85.9Confident86.8Confident12 Ų1247.2 Ų47.28%0.08126%0.26CS..  trans-73.6118169.3-176.90000108.9A97 T101 L122A97-C99 VanDerWaalsContact C-N 3.27Å; A97-C99 PolarHBondContact O-N 2.74Å; C99-T101 PolarHBondContact O-N 3.08Å; C99-L122 HydrophobicContact CB-CD1 3.55Å; C99-L122 WeakPolarHBondContact SG-CD1 3.27Å
100W90.6Very high86.6Confident0 Ų047.3 Ų47.30%026%0.261CS..  trans-69.2121.2175.4-7129.1000108.6W21 Q23 V28 L66 F67 D68 T70 N98 S102 L103W21-W100 HydrophobicContact CH2-CB 4.4Å; W21-W100 HydrophobicContact CZ3-CB 4.3Å; Q23-W100 PolarHBondContact NE2-O 3.01Å; V28-W100 HydrophobicContact CG1-CE3 4.43Å; V28-W100 HydrophobicContact CG1-CZ3 4.47Å; V28-W100 HydrophobicContact CG2-CD2 3.86Å; V28-W100 HydrophobicContact CG2-CE3 3.93Å; V28-W100 HydrophobicContact CG2-CG 4.44Å; V28-W100 HydrophobicContact CG2-CH2 4.21Å; V28-W100 HydrophobicContact CG2-CZ2 4.16Å; V28-W100 HydrophobicContact CG2-CZ3 4.1Å; L66-W100 HydrophobicContact CB-CH2 3.83Å; L66-W100 HydrophobicContact CB-CZ3 4.11Å; L66-W100 HydrophobicContact CD1-CH2 4.31Å; L66-W100 HydrophobicContact CD2-CH2 4.07Å; L66-W100 HydrophobicContact CD2-CZ3 3.92Å; L66-W100 HydrophobicContact CG-CH2 4.29Å; F67-W100 HydrophobicContact CB-CD2 3.96Å; F67-W100 HydrophobicContact CB-CE3 3.77Å; F67-W100 HydrophobicContact CB-CG 4.35Å; F67-W100 HydrophobicContact CB-CZ3 4.23Å; F67-W100 HydrophobicContact CD1-CB 3.99Å; F67-W100 AromaticContact CD1-CD1 3.89Å; F67-W100 HydrophobicContact CD1-CD2 4.09Å; F67-W100 AromaticContact CD1-CG 3.73Å; F67-W100 HydrophobicContact CD1-CG 3.73Å; F67-W100 HydrophobicContact CE1-CG 4.5Å; F67-W100 HydrophobicContact CG-CB 4.43Å; F67-W100 HydrophobicContact CG-CD2 4.46Å; F67-W100 HydrophobicContact CG-CG 4.37Å; D68-W100 HydrophobicContact CB-CZ2 4.18Å; D68-W100 WeakPolarHBondContact O-CZ2 3.42Å; T70-W100 HydrophobicContact CG2-CH2 3.68Å; T70-W100 HydrophobicContact CG2-CZ2 3.79Å; N98-W100 PolarHBondContact O-N 3.48Å; W100-S102 VanDerWaalsContact C-N 3.33Å; W100-L103 HydrophobicContact CZ3-CD1 4.47Å
101T90.6Very high86.4Confident48 Ų4852.1 Ų52.129%0.29429%0.287SS..SBendtrans-84-18176.954.10000111.9F67 C99 A110 Q115F67-T101 WeakPolarHBondContact CE2-OG1 3.48Å; C99-T101 PolarHBondContact O-N 3.08Å; T101-A110 PolarHBondContact O-N 3.15Å; T101-Q115 HydrophobicContact CG2-CG 4.43Å
102S93.1Very high86.1Confident10 Ų1057.2 Ų57.27%0.0732%0.32CS..BIsolated β-bridgetrans-144.4158.7175.862.50000110.6F67 W100 L104 Y108 A109F67-S102 VanDerWaalsContact CB-O 3.27Å; F67-S102 WeakPolarHBondContact CB-O 3.46Å; F67-S102 WeakPolarHBondContact CD2-OG 3.44Å; W100-S102 VanDerWaalsContact C-N 3.33Å; S102-L104 VanDerWaalsContact CB-O 3.25Å; S102-L104 WeakPolarHBondContact CB-O 3.35Å; S102-L104 PolarHBondContact OG-O 2.91Å; S102-Y108 WeakPolarHBondContact CA-O 3.41Å; S102-A109 VanDerWaalsContact CB-CA 3.48Å
103L92.1Very high85.9Confident0 Ų062.2 Ų62.20%033%0.331CS..SBendtrans-72.3-45172.5-177.761.3000111.3W18 W21 V28 I30 L62 F67 W100 Y108W18-L103 HydrophobicContact CH2-CD2 3.72Å; W18-L103 HydrophobicContact CZ2-CD2 3.97Å; W21-L103 HydrophobicContact CB-CD1 4.37Å; W21-L103 HydrophobicContact CB-CD2 4.24Å; W21-L103 HydrophobicContact CD2-CB 3.95Å; W21-L103 HydrophobicContact CD2-CD1 4.35Å; W21-L103 HydrophobicContact CE3-CD1 4.49Å; W21-L103 HydrophobicContact CG-CB 4.03Å; W21-L103 HydrophobicContact CG-CD1 4.3Å; W21-L103 HydrophobicContact CG-CD2 4.16Å; W21-L103 HydrophobicContact CG-CG 4.4Å; W21-L103 HydrophobicContact CZ2-CB 4.46Å; V28-L103 HydrophobicContact CG1-CD1 3.93Å; I30-L103 HydrophobicContact CD1-CD1 3.71Å; I30-L103 HydrophobicContact CD1-CD2 4.16Å; I30-L103 HydrophobicContact CD1-CG 4.44Å; I30-L103 HydrophobicContact CG1-CD1 3.8Å; I30-L103 HydrophobicContact CG1-CD2 4.29Å; I30-L103 HydrophobicContact CG2-CD2 4.06Å; L62-L103 HydrophobicContact CD1-CD2 4.25Å; L62-L103 HydrophobicContact CD2-CD2 4.21Å; F67-L103 PolarHBondContact N-O 3.41Å; W100-L103 HydrophobicContact CZ3-CD1 4.47Å; L103-Y108 PolarHBondContact N-O 3.41Å
104L92.9Very high86Confident1 Ų158.3 Ų58.31%0.00532%0.315CS..BIsolated β-bridgetrans-113.4155.1177.6-58.2-175.6000110.4V52 L62 K65 L66 S102 S106 E107 Y108V52-L104 HydrophobicContact CG1-CD2 3.68Å; L62-L104 HydrophobicContact CD1-CD1 3.81Å; L62-L104 HydrophobicContact CD1-CD2 4.44Å; L62-L104 HydrophobicContact CD1-CG 4.26Å; K65-L104 CarbonylContact O-C 3.53Å; K65-L104 VanDerWaalsContact O-CA 3.23Å; K65-L104 WeakPolarHBondContact O-CA 3.48Å; K65-L104 WeakPolarHBondContact O-CB 3.45Å; L66-L104 HydrophobicContact CD2-CD2 4.3Å; S102-L104 VanDerWaalsContact CB-O 3.25Å; S102-L104 WeakPolarHBondContact CB-O 3.35Å; S102-L104 PolarHBondContact OG-O 2.91Å; L104-S106 PolarHBondContact O-N 2.9Å; L104-S106 VanDerWaalsContact O-N 3.14Å; L104-E107 HydrophobicContact CB-CB 4.22Å; L104-E107 HydrophobicContact CD1-CB 4.26Å; L104-E107 PolarHBondContact N-O 3.45Å; L104-E107 VanDerWaalsContact N-O 3.17Å; L104-E107 PolarHBondContact O-N 2.96Å; L104-Y108 HydrophobicContact CB-CD2 4.44Å; L104-Y108 HydrophobicContact CD1-CD2 3.86Å; L104-Y108 HydrophobicContact CD1-CE2 3.68Å; L104-Y108 HydrophobicContact CG-CD2 3.93Å; L104-Y108 HydrophobicContact CG-CE2 4.26Å
105E89.8Confident86.3Confident106 Ų10654.7 Ų54.750%0.49530%0.304SS..SBendtrans-58.1-30.2-179.8-170.4172.9-131.600112.7R50 K65R50-E105 IonicContact NH2-OE1 3.22Å; R50-E105 PolarHBondContact NH2-OE1 3.48Å; K65-E105 VanDerWaalsContact CD-OE2 3.31Å; K65-E105 WeakPolarHBondContact CD-OE2 3.39Å; K65-E105 WeakPolarHBondContact CE-OE2 3.31Å; K65-E105 IonicContact NZ-OE1 3.28Å; K65-E105 PolarHBondContact NZ-OE1 2.86Å; K65-E105 IonicContact NZ-OE2 2.71Å; K65-E105 PolarHBondContact NZ-OE2 3.25Å; K65-E105 PolarHBondContact O-N 3.44Å
106S81.8Confident86.8Confident105 Ų10552.2 Ų52.273%0.73429%0.291SS*.SBendtrans-116-5.2-177.658.50000114.9L104L104-S106 PolarHBondContact O-N 2.9Å; L104-S106 VanDerWaalsContact O-N 3.14Å
107E87.1Confident87.5Confident96 Ų9655.1 Ų55.145%0.44930%0.304SS..SBendtrans-146.2160.5-171.7-70.1-172-174.500113.2L104 A109L104-E107 HydrophobicContact CB-CB 4.22Å; L104-E107 HydrophobicContact CD1-CB 4.26Å; L104-E107 PolarHBondContact N-O 3.45Å; L104-E107 VanDerWaalsContact N-O 3.17Å; L104-E107 PolarHBondContact O-N 2.96Å; E107-A109 VanDerWaalsContact C-N 3.32Å; E107-A109 PolarHBondContact O-N 2.93Å
108Y89.1Confident88Confident51 Ų5152.4 Ų52.420%0.228%0.281CS..  trans58.241.6177.3-45-72.7000113.2T16 W18 W21 L62 S102 L103 L104T16-Y108 HydrophobicContact CG2-CD1 3.5Å; T16-Y108 VanDerWaalsContact CG2-CD1 3.5Å; T16-Y108 HydrophobicContact CG2-CE1 4.26Å; T16-Y108 HydrophobicContact CG2-CG 4.06Å; W18-Y108 AromaticContact CE2-CE1 3.87Å; W18-Y108 AromaticContact CE2-CZ 3.97Å; W18-Y108 HydrophobicContact CZ2-CD1 4.19Å; W18-Y108 HydrophobicContact CZ2-CD2 4.42Å; W18-Y108 HydrophobicContact CZ2-CE1 4.01Å; W18-Y108 HydrophobicContact CZ2-CE2 4.28Å; W18-Y108 HydrophobicContact CZ2-CG 4.39Å; W18-Y108 AromaticContact NE1-CE1 3.25Å; W18-Y108 VanDerWaalsContact NE1-CE1 3.25Å; W18-Y108 AromaticContact NE1-CZ 3.24Å; W18-Y108 PolarHBondContact NE1-OH 3.09Å; W18-Y108 VanDerWaalsContact NE1-OH 3.1Å; W21-Y108 PolarHBondContact NE1-O 2.77Å; L62-Y108 HydrophobicContact CD1-CD2 4.23Å; L62-Y108 HydrophobicContact CD1-CE2 3.66Å; S102-Y108 WeakPolarHBondContact CA-O 3.41Å; L103-Y108 PolarHBondContact N-O 3.41Å; L104-Y108 HydrophobicContact CB-CD2 4.44Å; L104-Y108 HydrophobicContact CD1-CD2 3.86Å; L104-Y108 HydrophobicContact CD1-CE2 3.68Å; L104-Y108 HydrophobicContact CG-CD2 3.93Å; L104-Y108 HydrophobicContact CG-CE2 4.26Å
109A90.3Very high88.2Confident67 Ų6752.9 Ų52.955%0.55428%0.283SS*.BIsolated β-bridgetrans-66.6132.5169.500000110.4S102 E107S102-A109 VanDerWaalsContact CB-CA 3.48Å; E107-A109 VanDerWaalsContact C-N 3.32Å; E107-A109 PolarHBondContact O-N 2.93Å
110A88.8Confident88.1Confident4 Ų457 Ų573%0.03330%0.297CS..PPolyproline II helixtrans-70.5146.1171.500000109.7C14 W21 T101 V114 Q115 M118C14-A110 HydrophobicContact CB-CB 4.25Å; W21-A110 HydrophobicContact CZ2-CB 4.27Å; T101-A110 PolarHBondContact O-N 3.15Å; A110-V114 HydrophobicContact CB-CB 4.06Å; A110-V114 HydrophobicContact CB-CG1 3.86Å; A110-Q115 HydrophobicContact CB-CG 3.77Å; A110-Q115 PolarHBondContact O-NE2 3.5Å; A110-M118 HydrophobicContact CB-SD 4.42Å
111D88.3Confident87.8Confident113 Ų11358.1 Ų58.160%0.60430%0.302SS*.PPolyproline II helixtrans-60.8153.2173.6-68.8-65.1000111W113 V114 Q115D111-W113 PolarHBondContact O-N 2.89Å; D111-V114 HydrophobicContact CB-CG2 4.27Å; D111-V114 WeakPolarHBondContact O-CA 3.5Å; D111-V114 PolarHBondContact O-N 3.47Å; D111-Q115 WeakPolarHBondContact O-CG 3.33Å; D111-Q115 PolarHBondContact O-N 2.98Å
112P86.4Confident87.5Confident106 Ų10656 Ų5669%0.68829%0.288SS*.Hα-helixtrans-52.2-34-179-28.935.4000114.1D116P112-D116 WeakPolarHBondContact O-CB 3.36Å; P112-D116 PolarHBondContact O-N 3.43Å; P112-D116 VanDerWaalsContact O-N 3.07Å
113W86.3Confident87.1Confident176 Ų17655.8 Ų55.867%0.66729%0.287SS*.Hα-helixtrans-71.3-40.5176.2-172.675000112.7D111 D116 Q117D111-W113 PolarHBondContact O-N 2.89Å; W113-D116 WeakPolarHBondContact O-CB 3.49Å; W113-D116 PolarHBondContact O-N 3.39Å; W113-Q117 HydrophobicContact CD2-CG 4.47Å; W113-Q117 VanDerWaalsContact CE3-OE1 3.23Å; W113-Q117 VanDerWaalsContact CH2-CD 3.43Å; W113-Q117 HydrophobicContact CZ2-CG 4.4Å; W113-Q117 WeakPolarHBondContact O-CG 3.42Å; W113-Q117 PolarHBondContact O-N 3.41Å
114V87.8Confident86.7Confident20 Ų2056.6 Ų56.612%0.12129%0.291CS..Hα-helixtrans-68.3-40.4176.5178.30000110.3V12 C14 A110 D111 D116 Q117 M118V12-V114 HydrophobicContact CG1-CG1 3.88Å; C14-V114 HydrophobicContact CB-CG1 4.46Å; A110-V114 HydrophobicContact CB-CB 4.06Å; A110-V114 HydrophobicContact CB-CG1 3.86Å; D111-V114 HydrophobicContact CB-CG2 4.27Å; D111-V114 WeakPolarHBondContact O-CA 3.5Å; D111-V114 PolarHBondContact O-N 3.47Å; V114-D116 VanDerWaalsContact C-N 3.31Å; V114-D116 PolarHBondContact O-N 3.16Å; V114-Q117 PolarHBondContact O-N 3.3Å; V114-M118 HydrophobicContact CG1-CE 3.9Å; V114-M118 HydrophobicContact CG1-CG 4.45Å; V114-M118 HydrophobicContact CG1-SD 4.36Å; V114-M118 WeakPolarHBondContact O-CG 3.25Å; V114-M118 PolarHBondContact O-N 3.37Å
115Q86.8Confident86.1Confident57 Ų5758.1 Ų58.127%0.26630%0.298SS..Hα-helixtrans-58.6-43.9173.3-67.9-178.320.100111.5T101 A110 D111 M118 Q119T101-Q115 HydrophobicContact CG2-CG 4.43Å; A110-Q115 HydrophobicContact CB-CG 3.77Å; A110-Q115 PolarHBondContact O-NE2 3.5Å; D111-Q115 WeakPolarHBondContact O-CG 3.33Å; D111-Q115 PolarHBondContact O-N 2.98Å; Q115-M118 PolarHBondContact O-N 3.33Å; Q115-Q119 WeakPolarHBondContact O-CB 3.45Å; Q115-Q119 PolarHBondContact O-N 2.99Å
116D86.3Confident85.8Confident45 Ų4555.9 Ų55.924%0.24129%0.285CS..Hα-helixtrans-60.4-46.7176.5-169.871.1000111.6P112 W113 V114 Q119 R120 Y145P112-D116 WeakPolarHBondContact O-CB 3.36Å; P112-D116 PolarHBondContact O-N 3.43Å; P112-D116 VanDerWaalsContact O-N 3.07Å; W113-D116 WeakPolarHBondContact O-CB 3.49Å; W113-D116 PolarHBondContact O-N 3.39Å; V114-D116 VanDerWaalsContact C-N 3.31Å; V114-D116 PolarHBondContact O-N 3.16Å; D116-Q119 PolarHBondContact O-N 3Å; D116-R120 VanDerWaalsContact O-CG 3.3Å; D116-R120 WeakPolarHBondContact O-CG 3.46Å; D116-R120 PolarHBondContact O-N 2.9Å; D116-R120 IonicContact OD2-CZ 3.01Å; D116-R120 IonicContact OD2-NE 2.62Å; D116-R120 PolarHBondContact OD2-NE 3.25Å; D116-R120 IonicContact OD2-NH2 3.43Å; D116-R120 PolarHBondContact OD2-NH2 3.36Å; D116-Y145 WeakPolarHBondContact OD1-CE2 3.42Å; D116-Y145 VanDerWaalsContact OD1-CZ 3.24Å; D116-Y145 PolarHBondContact OD1-OH 3.07Å; D116-Y145 PolarHBondContact OD2-OH 2.85Å
117Q85.7Confident85.8Confident61 Ų6153.6 Ų53.629%0.28526%0.262SS..Hα-helixtrans-62.8-42.7176.4-71.1-175.4-59.300112.9V12 W113 V114 R120 K121V12-Q117 HydrophobicContact CG1-CB 3.8Å; V12-Q117 HydrophobicContact CG2-CB 4.03Å; W113-Q117 HydrophobicContact CD2-CG 4.47Å; W113-Q117 VanDerWaalsContact CE3-OE1 3.23Å; W113-Q117 VanDerWaalsContact CH2-CD 3.43Å; W113-Q117 HydrophobicContact CZ2-CG 4.4Å; W113-Q117 WeakPolarHBondContact O-CG 3.42Å; W113-Q117 PolarHBondContact O-N 3.41Å; V114-Q117 PolarHBondContact O-N 3.3Å; Q117-R120 PolarHBondContact O-N 3.44Å; Q117-K121 WeakPolarHBondContact O-CB 3.37Å; Q117-K121 PolarHBondContact O-N 3.13Å
118M87.8Confident85.4Confident4 Ų450.7 Ų50.72%0.0225%0.249CC..Hα-helixtrans-59.2-48.6174.8-74179.3172.200110.4V12 C14 W21 Q23 A110 V114 Q115 R120 K121 L122V12-M118 HydrophobicContact CB-CG 4.03Å; V12-M118 HydrophobicContact CG1-CG 3.72Å; V12-M118 WeakPolarHBondContact O-CE 3.04Å; C14-M118 HydrophobicContact CB-CE 3.85Å; W21-M118 HydrophobicContact CH2-CE 4.02Å; W21-M118 HydrophobicContact CH2-SD 4.06Å; W21-M118 HydrophobicContact CZ2-CE 4.38Å; W21-M118 HydrophobicContact CZ3-CE 4.09Å; W21-M118 HydrophobicContact CZ3-SD 4.32Å; Q23-M118 PolarHBondContact NE2-SD 3.16Å; A110-M118 HydrophobicContact CB-SD 4.42Å; V114-M118 HydrophobicContact CG1-CE 3.9Å; V114-M118 HydrophobicContact CG1-CG 4.45Å; V114-M118 HydrophobicContact CG1-SD 4.36Å; V114-M118 WeakPolarHBondContact O-CG 3.25Å; V114-M118 PolarHBondContact O-N 3.37Å; Q115-M118 PolarHBondContact O-N 3.33Å; M118-R120 PolarHBondContact O-N 2.89Å; M118-K121 WeakPolarHBondContact O-CB 3.23Å; M118-K121 PolarHBondContact O-N 2.85Å; M118-K121 VanDerWaalsContact O-N 3.16Å; M118-L122 WeakPolarHBondContact O-CB 3.46Å; M118-L122 VanDerWaalsContact O-CD1 3.31Å; M118-L122 WeakPolarHBondContact O-CD1 3.42Å; M118-L122 WeakPolarHBondContact O-CG 3.31Å; M118-L122 PolarHBondContact O-N 3.14Å
119Q85.1Confident84.9Confident28 Ų2854.7 Ų54.713%0.13127%0.267CS..Hα-helixtrans-60.6-43.6179.2-175.265.452.800112.1A96 Q115 D116 K121 L122 T123 Y145 G148A96-Q119 PolarHBondContact O-NE2 2.74Å; Q115-Q119 WeakPolarHBondContact O-CB 3.45Å; Q115-Q119 PolarHBondContact O-N 2.99Å; D116-Q119 PolarHBondContact O-N 3Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.45Å; Q119-L122 PolarHBondContact O-N 3.17Å; Q119-T123 WeakPolarHBondContact O-CB 3.3Å; Q119-T123 PolarHBondContact O-N 3.02Å; Q119-T123 PolarHBondContact O-OG1 2.97Å; Q119-Y145 HydrophobicContact CG-CD2 3.97Å; Q119-Y145 HydrophobicContact CG-CE2 4.49Å; Q119-G148 VanDerWaalsContact NE2-N 3.13Å
120R84.3Confident84.5Confident99 Ų9955.7 Ų55.737%0.37426%0.26SS..Hα-helixtrans-59.3-45.2175.3-72.8-177.2-174.1-179.78111.1D116 Q117 M118 T123 L124 I141 Y145D116-R120 VanDerWaalsContact O-CG 3.3Å; D116-R120 WeakPolarHBondContact O-CG 3.46Å; D116-R120 PolarHBondContact O-N 2.9Å; D116-R120 IonicContact OD2-CZ 3.01Å; D116-R120 IonicContact OD2-NE 2.62Å; D116-R120 PolarHBondContact OD2-NE 3.25Å; D116-R120 IonicContact OD2-NH2 3.43Å; D116-R120 PolarHBondContact OD2-NH2 3.36Å; Q117-R120 PolarHBondContact O-N 3.44Å; M118-R120 PolarHBondContact O-N 2.89Å; R120-T123 PolarHBondContact O-N 3.27Å; R120-L124 WeakPolarHBondContact O-CB 3.44Å; R120-L124 PolarHBondContact O-N 3.26Å; R120-I141 HydrophobicContact CB-CG2 3.62Å; R120-I141 HydrophobicContact CG-CG2 3.47Å; R120-I141 VanDerWaalsContact CG-CG2 3.47Å; R120-Y145 HydrophobicContact CG-CD1 4.29Å; R120-Y145 HydrophobicContact CG-CD2 3.88Å; R120-Y145 HydrophobicContact CG-CE1 4.03Å; R120-Y145 HydrophobicContact CG-CE2 3.58Å; R120-Y145 HydrophobicContact CG-CG 4.23Å; R120-Y145 PolarHBondContact NE-OH 3.42Å; R120-Y145 PolarHBondContact NH2-OH 3.36Å
121K84Confident84.1Confident24 Ų2458 Ų5810%0.10427%0.272CS..Hα-helixtrans-64-47.5-179.9-168.9-175.1-167.471.10112.5F5 S9 G10 V12 Q117 M118 Q119 T123 L124 E125F5-K121 HydrophobicContact CE1-CG 4.1Å; S9-K121 VanDerWaalsContact C-NZ 3.35Å; S9-K121 PolarHBondContact O-NZ 2.89Å; S9-K121 PolarHBondContact OG-NZ 2.62Å; G10-K121 VanDerWaalsContact C-NZ 3.31Å; G10-K121 WeakPolarHBondContact O-CE 3.41Å; G10-K121 PolarHBondContact O-NZ 3.43Å; V12-K121 HydrophobicContact CG2-CD 4.12Å; Q117-K121 WeakPolarHBondContact O-CB 3.37Å; Q117-K121 PolarHBondContact O-N 3.13Å; M118-K121 WeakPolarHBondContact O-CB 3.23Å; M118-K121 PolarHBondContact O-N 2.85Å; M118-K121 VanDerWaalsContact O-N 3.16Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.45Å; K121-T123 VanDerWaalsContact C-N 3.27Å; K121-T123 PolarHBondContact O-N 3.41Å; K121-L124 WeakPolarHBondContact O-CB 3.44Å; K121-L124 PolarHBondContact O-N 3.04Å; K121-L124 VanDerWaalsContact O-N 3.15Å; K121-E125 WeakPolarHBondContact O-CB 3.38Å; K121-E125 PolarHBondContact O-N 2.89Å
122L84.3Confident83.6Confident2 Ų258.3 Ų58.31%0.0128%0.28CS..Hα-helixtrans-59.2-40.7176-77.1150.6000111.5Q23 T24 L25 C99 M118 Q119 E125 R126Q23-L122 HydrophobicContact CG-CD1 4.25Å; T24-L122 VanDerWaalsContact O-CD2 3.29Å; T24-L122 WeakPolarHBondContact O-CD2 3.36Å; L25-L122 VanDerWaalsContact CA-CD2 3.5Å; L25-L122 HydrophobicContact CB-CD2 4.34Å; L25-L122 HydrophobicContact CD2-CB 4.17Å; L25-L122 HydrophobicContact CD2-CD2 3.71Å; L25-L122 HydrophobicContact CG-CD2 3.96Å; L25-L122 VanDerWaalsContact N-CD2 3.35Å; C99-L122 HydrophobicContact CB-CD1 3.55Å; C99-L122 WeakPolarHBondContact SG-CD1 3.27Å; M118-L122 WeakPolarHBondContact O-CB 3.46Å; M118-L122 VanDerWaalsContact O-CD1 3.31Å; M118-L122 WeakPolarHBondContact O-CD1 3.42Å; M118-L122 WeakPolarHBondContact O-CG 3.31Å; M118-L122 PolarHBondContact O-N 3.14Å; Q119-L122 PolarHBondContact O-N 3.17Å; L122-E125 PolarHBondContact O-N 3.34Å; L122-R126 WeakPolarHBondContact O-CB 3.5Å; L122-R126 PolarHBondContact O-N 2.95Å
123T84.2Confident83.1Confident7 Ų756.9 Ų56.94%0.04328%0.284CS..Hα-helixtrans-65.1-41.6176.3-52.30000111.2Q119 R120 K121 R126 F127 I141Q119-T123 WeakPolarHBondContact O-CB 3.3Å; Q119-T123 PolarHBondContact O-N 3.02Å; Q119-T123 PolarHBondContact O-OG1 2.97Å; R120-T123 PolarHBondContact O-N 3.27Å; K121-T123 VanDerWaalsContact C-N 3.27Å; K121-T123 PolarHBondContact O-N 3.41Å; T123-R126 PolarHBondContact O-N 3.47Å; T123-F127 WeakPolarHBondContact O-CB 3.39Å; T123-F127 PolarHBondContact O-N 2.96Å; T123-I141 HydrophobicContact CG2-CD1 3.39Å
124L83.1Confident82.4Confident16 Ų1654.9 Ų54.98%0.08428%0.281CS..Hα-helixtrans-65.4-43.6177.2-171.365.1000112F5 R120 K121 R126 F127 Q128 F136 A139F5-L124 HydrophobicContact CE2-CD2 4.48Å; F5-L124 HydrophobicContact CE2-CG 4.4Å; F5-L124 HydrophobicContact CZ-CB 4.25Å; F5-L124 HydrophobicContact CZ-CD2 3.97Å; F5-L124 HydrophobicContact CZ-CG 3.98Å; R120-L124 WeakPolarHBondContact O-CB 3.44Å; R120-L124 PolarHBondContact O-N 3.26Å; K121-L124 WeakPolarHBondContact O-CB 3.44Å; K121-L124 PolarHBondContact O-N 3.04Å; K121-L124 VanDerWaalsContact O-N 3.15Å; L124-R126 VanDerWaalsContact C-N 3.28Å; L124-R126 PolarHBondContact O-N 2.92Å; L124-F127 PolarHBondContact O-N 2.9Å; L124-Q128 PolarHBondContact O-N 2.98Å; L124-F136 HydrophobicContact CD1-CB 3.9Å; L124-A139 HydrophobicContact CD1-CB 4.22Å
125E81.6Confident81.7Confident33 Ų3358.9 Ų58.915%0.15430%0.301CS..Hα-helixtrans-58.4-42.7175-167.8-172.8164.200110.7F5 L25 K121 L122 Q128 K129F5-E125 HydrophobicContact CD1-CB 3.89Å; F5-E125 HydrophobicContact CD1-CG 3.7Å; F5-E125 HydrophobicContact CE1-CB 3.66Å; F5-E125 HydrophobicContact CE1-CG 4.03Å; F5-E125 HydrophobicContact CG-CG 4.16Å; F5-E125 HydrophobicContact CZ-CB 4.18Å; L25-E125 HydrophobicContact CD1-CB 3.81Å; L25-E125 HydrophobicContact CD1-CG 3.74Å; L25-E125 HydrophobicContact CG-CB 4.12Å; L25-E125 HydrophobicContact CG-CG 4.14Å; L25-E125 PolarHBondContact N-OE2 3.02Å; K121-E125 WeakPolarHBondContact O-CB 3.38Å; K121-E125 PolarHBondContact O-N 2.89Å; L122-E125 PolarHBondContact O-N 3.34Å; E125-Q128 PolarHBondContact O-N 2.93Å; E125-K129 WeakPolarHBondContact O-CB 3.4Å; E125-K129 PolarHBondContact O-N 2.91Å
126R82.4Confident80.7Confident59 Ų5958.4 Ų58.422%0.22330%0.298CS..Hα-helixtrans-63.4-48.3177.6177.8-177.2174.5-1732.4110.3L25 A96 L122 T123 L124 Q128 K129 E130 G148 D151L25-R126 HydrophobicContact CD1-CB 3.83Å; L25-R126 HydrophobicContact CD2-CB 4.43Å; A96-R126 HydrophobicContact CB-CB 4.14Å; L122-R126 WeakPolarHBondContact O-CB 3.5Å; L122-R126 PolarHBondContact O-N 2.95Å; T123-R126 PolarHBondContact O-N 3.47Å; L124-R126 VanDerWaalsContact C-N 3.28Å; L124-R126 PolarHBondContact O-N 2.92Å; R126-Q128 VanDerWaalsContact C-N 3.31Å; R126-Q128 PolarHBondContact O-N 3.32Å; R126-K129 WeakPolarHBondContact O-CB 3.47Å; R126-K129 PolarHBondContact O-N 3.07Å; R126-K129 VanDerWaalsContact O-N 3.16Å; R126-E130 HydrophobicContact CG-CG 4.43Å; R126-E130 IonicContact CZ-OE1 2.79Å; R126-E130 IonicContact NE-OE1 2.79Å; R126-E130 PolarHBondContact NE-OE1 3.37Å; R126-E130 IonicContact NE-OE2 3.19Å; R126-E130 IonicContact NH2-OE1 3.96Å; R126-E130 PolarHBondContact NH2-OE1 2.83Å; R126-E130 WeakPolarHBondContact O-CG 3.44Å; R126-E130 PolarHBondContact O-N 2.75Å; R126-G148 PolarHBondContact NH1-O 2.98Å; R126-D151 IonicContact NH2-OD1 3.89Å
127F81.8Confident79.8Confident58 Ų5857.7 Ų57.725%0.25430%0.297SS..Hα-helixtrans-62.8-38.9-178.3-166.7-110.8000112.1T123 L124 E130 N131 F136 F152T123-F127 WeakPolarHBondContact O-CB 3.39Å; T123-F127 PolarHBondContact O-N 2.96Å; L124-F127 PolarHBondContact O-N 2.9Å; F127-E130 PolarHBondContact O-N 3.34Å; F127-N131 WeakPolarHBondContact CE2-ND2 3.31Å; F127-N131 WeakPolarHBondContact O-CB 3.21Å; F127-N131 PolarHBondContact O-N 2.69Å; F127-N131 PolarHBondContact O-ND2 3.34Å; F127-F136 HydrophobicContact CD1-CD1 4.26Å; F127-F136 AromaticContact CD1-CD2 3.63Å; F127-F136 HydrophobicContact CD1-CD2 3.63Å; F127-F136 HydrophobicContact CD1-CE1 4.3Å; F127-F136 AromaticContact CD1-CE2 3.62Å; F127-F136 HydrophobicContact CD1-CE2 3.62Å; F127-F136 AromaticContact CD1-CG 3.96Å; F127-F136 HydrophobicContact CD1-CG 3.96Å; F127-F136 HydrophobicContact CD1-CZ 4.02Å; F127-F136 HydrophobicContact CE1-CD1 4.13Å; F127-F136 AromaticContact CE1-CD2 3.85Å; F127-F136 HydrophobicContact CE1-CD2 3.85Å; F127-F136 AromaticContact CE1-CE1 3.73Å; F127-F136 HydrophobicContact CE1-CE1 3.73Å; F127-F136 AromaticContact CE1-CE2 3.36Å; F127-F136 HydrophobicContact CE1-CE2 3.36Å; F127-F136 HydrophobicContact CE1-CG 4.21Å; F127-F136 AromaticContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CZ-CE2 4.37Å; F127-F136 HydrophobicContact CZ-CZ 4.26Å; F127-F152 AromaticContact CE2-CD2 3.92Å; F127-F152 HydrophobicContact CE2-CD2 3.92Å; F127-F152 HydrophobicContact CE2-CE2 4.07Å
128Q79.9Confident78.9Confident35 Ų3558.3 Ų58.316%0.16432%0.32CS..Hα-helixtrans-68.7-36.8175-172.1154.825.700112.3L124 E125 R126 N131 D135L124-Q128 PolarHBondContact O-N 2.98Å; E125-Q128 PolarHBondContact O-N 2.93Å; R126-Q128 VanDerWaalsContact C-N 3.31Å; R126-Q128 PolarHBondContact O-N 3.32Å; Q128-N131 CarbonylContact O-C 3.24Å; Q128-N131 VanDerWaalsContact O-C 3.24Å; Q128-N131 PolarHBondContact O-N 3.29Å; Q128-D135 PolarHBondContact NE2-OD1 3.29Å
129K78.1Confident78Confident135 Ų13560.2 Ų60.259%0.58734%0.336SS*.Hα-helixtrans-66.4-38.1174.5-169175.8-177.6178.90112.2E26 E125 R126 N131E26-K129 IonicContact OE1-NZ 3.67Å; E26-K129 PolarHBondContact OE1-NZ 2.86Å; E125-K129 WeakPolarHBondContact O-CB 3.4Å; E125-K129 PolarHBondContact O-N 2.91Å; R126-K129 WeakPolarHBondContact O-CB 3.47Å; R126-K129 PolarHBondContact O-N 3.07Å; R126-K129 VanDerWaalsContact O-N 3.16Å; K129-N131 VanDerWaalsContact C-N 3.33Å
130E82Confident77.1Confident88 Ų8867.9 Ų67.941%0.41137%0.372SS..Hα-helixtrans-73-25.8175.4-71.9174.6175.100112.2R126 F127 P132R126-E130 HydrophobicContact CG-CG 4.43Å; R126-E130 IonicContact CZ-OE1 2.79Å; R126-E130 IonicContact NE-OE1 2.79Å; R126-E130 PolarHBondContact NE-OE1 3.37Å; R126-E130 IonicContact NE-OE2 3.19Å; R126-E130 IonicContact NH2-OE1 3.96Å; R126-E130 PolarHBondContact NH2-OE1 2.83Å; R126-E130 WeakPolarHBondContact O-CG 3.44Å; R126-E130 PolarHBondContact O-N 2.75Å; F127-E130 PolarHBondContact O-N 3.34Å; E130-P132 VanDerWaalsContact C-CD 3.48Å; E130-P132 WeakPolarHBondContact O-CD 3.32Å
131N81.1Confident76.3Confident53 Ų5365.4 Ų65.428%0.28337%0.366SS..  trans-123.567.6-177.8-61.7-85.7000112.1F127 Q128 K129 G133 F134 F136F127-N131 WeakPolarHBondContact CE2-ND2 3.31Å; F127-N131 WeakPolarHBondContact O-CB 3.21Å; F127-N131 PolarHBondContact O-N 2.69Å; F127-N131 PolarHBondContact O-ND2 3.34Å; Q128-N131 CarbonylContact O-C 3.24Å; Q128-N131 VanDerWaalsContact O-C 3.24Å; Q128-N131 PolarHBondContact O-N 3.29Å; K129-N131 VanDerWaalsContact C-N 3.33Å; N131-G133 PolarHBondContact O-N 3.19Å; N131-F134 HydrophobicContact CB-CD2 4.33Å; N131-F134 PolarHBondContact O-N 2.79Å; N131-F134 VanDerWaalsContact O-N 3.08Å; N131-F136 HydrophobicContact CB-CE2 3.96Å
132P75.9Confident75.3Confident119 Ų11969.8 Ų69.877%0.77340%0.399SS*.THydrogen-bonded Turntrans-65.1-13.1-173.426.4-35.7000114.6E130E130-P132 VanDerWaalsContact C-CD 3.48Å; E130-P132 WeakPolarHBondContact O-CD 3.32Å
133G76.6Confident74.5Confident75 Ų7572.5 Ų72.577%0.77343%0.427SS*.THydrogen-bonded Turntrans-84.8-5.1176.500000114.9N131N131-G133 PolarHBondContact O-N 3.19Å
134F71.8Confident73.4Confident135 Ų13578.1 Ų78.159%0.59246%0.457SS*.SBendtrans-123.4138.4-177.5-70.3-90.8000110.4N131 F136N131-F134 HydrophobicContact CB-CD2 4.33Å; N131-F134 PolarHBondContact O-N 2.79Å; N131-F134 VanDerWaalsContact O-N 3.08Å; F134-F136 HydrophobicContact CB-CD2 3.85Å; F134-F136 HydrophobicContact CB-CE1 4.45Å; F134-F136 HydrophobicContact CB-CE2 3.16Å; F134-F136 HydrophobicContact CB-CZ 3.49Å; F134-F136 VanDerWaalsContact CB-CZ 3.49Å; F134-F136 HydrophobicContact CD1-CZ 4.28Å; F134-F136 HydrophobicContact CG-CE2 4.01Å; F134-F136 AromaticContact CG-CZ 3.97Å; F134-F136 HydrophobicContact CG-CZ 3.97Å
135D72.7Confident72.5Confident104 Ų10478.6 Ų78.656%0.55646%0.458SS*.  trans-95107.3175.8-166.910.7000110.6Q128 S137Q128-D135 PolarHBondContact NE2-OD1 3.29Å; D135-S137 PolarHBondContact OD1-N 2.79Å; D135-S137 PolarHBondContact OD1-OG 3.22Å
136F66.8Low71.4Confident47 Ų4781.5 Ų81.521%0.20648%0.478CS..  trans-10610.2-179.9-66.3-70.1000112.8L124 F127 N131 F134 G138 A139L124-F136 HydrophobicContact CD1-CB 3.9Å; F127-F136 HydrophobicContact CD1-CD1 4.26Å; F127-F136 AromaticContact CD1-CD2 3.63Å; F127-F136 HydrophobicContact CD1-CD2 3.63Å; F127-F136 HydrophobicContact CD1-CE1 4.3Å; F127-F136 AromaticContact CD1-CE2 3.62Å; F127-F136 HydrophobicContact CD1-CE2 3.62Å; F127-F136 AromaticContact CD1-CG 3.96Å; F127-F136 HydrophobicContact CD1-CG 3.96Å; F127-F136 HydrophobicContact CD1-CZ 4.02Å; F127-F136 HydrophobicContact CE1-CD1 4.13Å; F127-F136 AromaticContact CE1-CD2 3.85Å; F127-F136 HydrophobicContact CE1-CD2 3.85Å; F127-F136 AromaticContact CE1-CE1 3.73Å; F127-F136 HydrophobicContact CE1-CE1 3.73Å; F127-F136 AromaticContact CE1-CE2 3.36Å; F127-F136 HydrophobicContact CE1-CE2 3.36Å; F127-F136 HydrophobicContact CE1-CG 4.21Å; F127-F136 AromaticContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CE1-CZ 3.33Å; F127-F136 HydrophobicContact CZ-CE2 4.37Å; F127-F136 HydrophobicContact CZ-CZ 4.26Å; N131-F136 HydrophobicContact CB-CE2 3.96Å; F134-F136 HydrophobicContact CB-CD2 3.85Å; F134-F136 HydrophobicContact CB-CE1 4.45Å; F134-F136 HydrophobicContact CB-CE2 3.16Å; F134-F136 HydrophobicContact CB-CZ 3.49Å; F134-F136 VanDerWaalsContact CB-CZ 3.49Å; F134-F136 HydrophobicContact CD1-CZ 4.28Å; F134-F136 HydrophobicContact CG-CE2 4.01Å; F134-F136 AromaticContact CG-CZ 3.97Å; F134-F136 HydrophobicContact CG-CZ 3.97Å; F136-G138 PolarHBondContact O-N 3.22Å; F136-G138 VanDerWaalsContact O-N 3.1Å; F136-A139 HydrophobicContact CB-CB 4.27Å; F136-A139 HydrophobicContact CD1-CB 4.14Å; F136-A139 WeakPolarHBondContact O-CB 3.2Å; F136-A139 PolarHBondContact O-N 3.28Å
137S67.2Low70.4Confident29 Ų2987 Ų8720%0.20350%0.504CS..THydrogen-bonded Turntrans-62.9-23.3-17569.10000114.1D135D135-S137 PolarHBondContact OD1-N 2.79Å; D135-S137 PolarHBondContact OD1-OG 3.22Å
138G65.7Low69.3Low75 Ų7584.3 Ų84.377%0.77349%0.492SS*.THydrogen-bonded Turntrans-104.58.5175.700000114.7F136F136-G138 PolarHBondContact O-N 3.22Å; F136-G138 VanDerWaalsContact O-N 3.1Å
139A70.3Confident68.3Low43 Ų4383.5 Ų83.536%0.35549%0.493SS..PPolyproline II helixtrans-84.7137.5-177.600000111.5L124 F136L124-A139 HydrophobicContact CD1-CB 4.22Å; F136-A139 HydrophobicContact CB-CB 4.27Å; F136-A139 HydrophobicContact CD1-CB 4.14Å; F136-A139 WeakPolarHBondContact O-CB 3.2Å; F136-A139 PolarHBondContact O-N 3.28Å
140E66Low67.4Low189 Ų18980.8 Ų80.888%0.88349%0.49SS*.PPolyproline II helixtrans-92.1128170.1-70.1-171.1101.500109.9
141I66.3Low66.2Low48 Ų4880.3 Ų80.325%0.24649%0.49CS..PPolyproline II helixtrans-87121.2175.3-141.3168.3000109.2R120 T123 Y145R120-I141 HydrophobicContact CB-CG2 3.62Å; R120-I141 HydrophobicContact CG-CG2 3.47Å; R120-I141 VanDerWaalsContact CG-CG2 3.47Å; T123-I141 HydrophobicContact CG2-CD1 3.39Å; I141-Y145 HydrophobicContact CG2-CD1 3.97Å; I141-Y145 HydrophobicContact CG2-CG 4.23Å
142S64.3Low64.9Low116 Ų11682.5 Ų82.581%0.81150%0.497SS*.  trans-122.6138.7175.568.10000110
143G66.4Low64Low58 Ų5880.6 Ų80.660%0.59849%0.487SS*.SBendtrans119.2-153.3177.300000113.7Y145G143-Y145 WeakPolarHBondContact O-CD1 3.09Å; G143-Y145 WeakPolarHBondContact O-CE1 3.2Å; G143-Y145 PolarHBondContact O-N 2.71Å
144N62.1Low62.9Low126 Ų12683.4 Ų83.467%0.67448%0.484SS*.  trans-88.290.9-179.1-169.626.1000111.4T146N144-T146 PolarHBondContact OD1-OG1 3.29Å
145Y63.8Low61.9Low26 Ų2683.5 Ų83.510%0.10249%0.49CS..  trans-101.19.3175.550.7-92.7000113.4D116 Q119 R120 I141 G143 K147 G148 G149D116-Y145 WeakPolarHBondContact OD1-CE2 3.42Å; D116-Y145 VanDerWaalsContact OD1-CZ 3.24Å; D116-Y145 PolarHBondContact OD1-OH 3.07Å; D116-Y145 PolarHBondContact OD2-OH 2.85Å; Q119-Y145 HydrophobicContact CG-CD2 3.97Å; Q119-Y145 HydrophobicContact CG-CE2 4.49Å; R120-Y145 HydrophobicContact CG-CD1 4.29Å; R120-Y145 HydrophobicContact CG-CD2 3.88Å; R120-Y145 HydrophobicContact CG-CE1 4.03Å; R120-Y145 HydrophobicContact CG-CE2 3.58Å; R120-Y145 HydrophobicContact CG-CG 4.23Å; R120-Y145 PolarHBondContact NE-OH 3.42Å; R120-Y145 PolarHBondContact NH2-OH 3.36Å; I141-Y145 HydrophobicContact CG2-CD1 3.97Å; I141-Y145 HydrophobicContact CG2-CG 4.23Å; G143-Y145 WeakPolarHBondContact O-CD1 3.09Å; G143-Y145 WeakPolarHBondContact O-CE1 3.2Å; G143-Y145 PolarHBondContact O-N 2.71Å; Y145-K147 PolarHBondContact O-N 2.93Å; Y145-G148 PolarHBondContact O-N 2.5Å; Y145-G148 VanDerWaalsContact O-N 3.07Å; Y145-G149 PolarHBondContact O-N 3.27Å
146T58.5Low60.5Low94 Ų9487.5 Ų87.558%0.57751%0.506SS*.THydrogen-bonded Turntrans-58.1132.1175.753.40000110.2N144N144-T146 PolarHBondContact OD1-OG1 3.29Å
147K60.6Low59.3Low173 Ų17398.3 Ų98.375%0.75255%0.552SS**THydrogen-bonded Turntrans67.324.1-172.4-53.9-176.5174.5-178.50116.4A97 Y145A97-K147 HydrophobicContact CB-CB 4.43Å; A97-K147 WeakPolarHBondContact CB-O 3.37Å; Y145-K147 PolarHBondContact O-N 2.93Å
148G60Low58.9Low2 Ų2101.8 Ų101.82%0.02157%0.57CS.*THydrogen-bonded Turntrans94.127.8170.700000115Q119 R126 Y145Q119-G148 VanDerWaalsContact NE2-N 3.13Å; R126-G148 PolarHBondContact NH1-O 2.98Å; Y145-G148 PolarHBondContact O-N 2.5Å; Y145-G148 VanDerWaalsContact O-N 3.07Å
149G59.2Low58.6Low18 Ų18103.2 Ų103.219%0.18656%0.559CS.*SBendtrans84.6168.317200000115.6Y145 D151Y145-G149 PolarHBondContact O-N 3.27Å; G149-D151 PolarHBondContact O-N 3.01Å
150P57.9Low57.9Low78 Ų78106.5 Ų106.551%0.50657%0.57SS.*  trans-60.5130168.523.1-30.4000110.6F152P150-F152 HydrophobicContact CB-CE1 4.35Å; P150-F152 HydrophobicContact CB-CE2 4.05Å; P150-F152 HydrophobicContact CB-CZ 3.87Å; P150-F152 HydrophobicContact CG-CE1 4.46Å; P150-F152 HydrophobicContact CG-CE2 3.59Å; P150-F152 HydrophobicContact CG-CZ 3.54Å; P150-F152 WeakPolarHBondContact O-CD2 3.46Å; P150-F152 PolarHBondContact O-N 3.4Å
151D56.5Low57.5Low79 Ų79101.6 Ų101.642%0.42255%0.552SS.*  trans-83.6105.1176.9-172.1-2.1000109.9R126 G149 S153R126-D151 IonicContact NH2-OD1 3.89Å; G149-D151 PolarHBondContact O-N 3.01Å; D151-S153 VanDerWaalsContact C-N 3.34Å; D151-S153 VanDerWaalsContact CG-OG 3.23Å; D151-S153 VanDerWaalsContact OD1-CB 3.3Å; D151-S153 WeakPolarHBondContact OD1-CB 3.3Å; D151-S153 PolarHBondContact OD1-N 2.55Å; D151-S153 VanDerWaalsContact OD1-N 3.12Å; D151-S153 PolarHBondContact OD1-OG 3.12Å; D151-S153 PolarHBondContact OD2-OG 2.68Å
152F55.1Low56.9Low98 Ų98105 Ų10543%0.4357%0.571SS.*G310 helixtrans-87.6-1.8-179.6-62.6-74.2000113.6F127 P150 N154 L155F127-F152 AromaticContact CE2-CD2 3.92Å; F127-F152 HydrophobicContact CE2-CD2 3.92Å; F127-F152 HydrophobicContact CE2-CE2 4.07Å; P150-F152 HydrophobicContact CB-CE1 4.35Å; P150-F152 HydrophobicContact CB-CE2 4.05Å; P150-F152 HydrophobicContact CB-CZ 3.87Å; P150-F152 HydrophobicContact CG-CE1 4.46Å; P150-F152 HydrophobicContact CG-CE2 3.59Å; P150-F152 HydrophobicContact CG-CZ 3.54Å; P150-F152 WeakPolarHBondContact O-CD2 3.46Å; P150-F152 PolarHBondContact O-N 3.4Å; F152-N154 PolarHBondContact O-N 3.45Å; F152-L155 HydrophobicContact CD1-CD2 4.46Å; F152-L155 PolarHBondContact O-N 3.36Å
153S55.5Low56.4Low80 Ų80104.3 Ų104.356%0.55956%0.555SS**G310 helixtrans-61.5-15.317962.20000113.6D151D151-S153 VanDerWaalsContact C-N 3.34Å; D151-S153 VanDerWaalsContact CG-OG 3.23Å; D151-S153 VanDerWaalsContact OD1-CB 3.3Å; D151-S153 WeakPolarHBondContact OD1-CB 3.3Å; D151-S153 PolarHBondContact OD1-N 2.55Å; D151-S153 VanDerWaalsContact OD1-N 3.12Å; D151-S153 PolarHBondContact OD1-OG 3.12Å; D151-S153 PolarHBondContact OD2-OG 2.68Å
154N53.2Low55.7Low133 Ų133107.6 Ų107.671%0.71155%0.552SS**G310 helixtrans-99.13.1176.2-73.2-51.2000114.8F152F152-N154 PolarHBondContact O-N 3.45Å
155L51.3Low55.2Low137 Ų137106.2 Ų106.272%0.71754%0.543SS*.  trans-88-7-176.6-131.582.6000114.1F152 K157F152-L155 HydrophobicContact CD1-CD2 4.46Å; F152-L155 PolarHBondContact O-N 3.36Å; L155-K157 PolarHBondContact O-N 3.36Å
156E44.2Very low54.5Low189 Ų189112.8 Ų112.888%0.88358%0.579SS**  trans-93.566.9174.8-66.6-173.612300111.8
157K41.7Very low54.1Low273 Ų273114.5 Ų114.5100%1.18758%0.58SS**  trans-133.70161.6-90.6-171.3179.7176.30111.9L155L155-K157 PolarHBondContact O-N 3.36Å

Retrieved 157 of 157 residues in 122.9 ms (Link to these results)

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