G4VFH7_SCHMA Loading...

Pre-rRNA-processing protein TSR2 homolog

May be involved in 20S pre-rRNA processing.

AlphaFold DB , UniProt , Accession G4VFH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M73.3Confident92.4Very high122 Ų12255 Ų5560%0.60127%0.274SS*.  0-41.20-161.7174-121.500109.5L3 F4 N5 L47M1-L3 PolarHBondContact O-N 3.35Å; M1-F4 WeakPolarHBondContact O-CB 3.2Å; M1-F4 PolarHBondContact O-N 3.18Å; M1-N5 PolarHBondContact O-N 3.13Å; M1-L47 HydrophobicContact CE-CD1 3.38Å
2D88.9Confident92.7Very high133 Ų13350.5 Ų50.571%0.71125%0.252SS*.Hα-helixtrans-50.4-45.4-177.5-46.7-22000115.2F4 N5 L6D2-F4 VanDerWaalsContact C-N 3.35Å; D2-F4 PolarHBondContact O-N 3.39Å; D2-N5 PolarHBondContact O-N 3.39Å; D2-L6 VanDerWaalsContact O-CB 3.28Å; D2-L6 WeakPolarHBondContact O-CB 3.45Å; D2-L6 PolarHBondContact O-N 3.32Å
3L93.1Very high92.8Very high58 Ų5850.8 Ų50.830%0.30426%0.255SS..Hα-helixtrans-61.6-41.8176.4-72.2179.4000112.7M1 L6 Y7 T95 L98 I102M1-L3 PolarHBondContact O-N 3.35Å; L3-L6 PolarHBondContact O-N 3.34Å; L3-Y7 WeakPolarHBondContact O-CB 3.27Å; L3-Y7 PolarHBondContact O-N 3.13Å; L3-T95 HydrophobicContact CD1-CG2 4.5Å; L3-L98 HydrophobicContact CB-CD2 4.02Å; L3-I102 HydrophobicContact CB-CD1 4.34Å; L3-I102 HydrophobicContact CD2-CD1 4.14Å; L3-I102 WeakPolarHBondContact O-CD1 3.39Å
4F93.4Very high93Very high1 Ų149.1 Ų49.10%0.00425%0.25CS..Hα-helixtrans-67.6-45178.4176-104.5000110.9M1 D2 L6 Y7 T8 I46 L87 F90 L98M1-F4 WeakPolarHBondContact O-CB 3.2Å; M1-F4 PolarHBondContact O-N 3.18Å; D2-F4 VanDerWaalsContact C-N 3.35Å; D2-F4 PolarHBondContact O-N 3.39Å; F4-L6 VanDerWaalsContact C-N 3.29Å; F4-L6 PolarHBondContact O-N 3.27Å; F4-Y7 WeakPolarHBondContact O-CB 3.33Å; F4-Y7 PolarHBondContact O-N 2.78Å; F4-Y7 VanDerWaalsContact O-N 3.16Å; F4-T8 PolarHBondContact O-N 2.67Å; F4-T8 PolarHBondContact O-OG1 2.97Å; F4-T8 VanDerWaalsContact O-OG1 3.13Å; F4-I46 HydrophobicContact CE1-CB 4.47Å; F4-I46 HydrophobicContact CE1-CD1 4.36Å; F4-I46 HydrophobicContact CE1-CG2 4.23Å; F4-I46 HydrophobicContact CZ-CB 4.2Å; F4-I46 HydrophobicContact CZ-CD1 4.06Å; F4-I46 HydrophobicContact CZ-CG2 3.56Å; F4-L87 HydrophobicContact CE2-CB 3.99Å; F4-L87 HydrophobicContact CZ-CB 4.24Å; F4-L87 HydrophobicContact CZ-CD1 4.44Å; F4-F90 HydrophobicContact CB-CB 4.38Å; F4-F90 HydrophobicContact CB-CD2 4.01Å; F4-F90 HydrophobicContact CB-CG 4.15Å; F4-F90 HydrophobicContact CD2-CB 4.2Å; F4-F90 HydrophobicContact CG-CB 4.44Å; F4-F90 HydrophobicContact CG-CG 4.4Å; F4-L98 HydrophobicContact CB-CD2 4.37Å
5N94.6Very high93.2Very high54 Ų5446.7 Ų46.729%0.28924%0.237SC..Hα-helixtrans-61.2-39.8175.7-66.9-3.6000111.6M1 D2 K9M1-N5 PolarHBondContact O-N 3.13Å; D2-N5 PolarHBondContact O-N 3.39Å; N5-K9 VanDerWaalsContact O-CB 3.26Å; N5-K9 WeakPolarHBondContact O-CB 3.42Å; N5-K9 PolarHBondContact O-N 3.27Å
6L94.5Very high93.3Very high75 Ų7548.1 Ų48.139%0.39325%0.248SC..Hα-helixtrans-63.5-42.8175178.461.5000111.7D2 L3 F4 K9 K10 I102D2-L6 VanDerWaalsContact O-CB 3.28Å; D2-L6 WeakPolarHBondContact O-CB 3.45Å; D2-L6 PolarHBondContact O-N 3.32Å; L3-L6 PolarHBondContact O-N 3.34Å; F4-L6 VanDerWaalsContact C-N 3.29Å; F4-L6 PolarHBondContact O-N 3.27Å; L6-K9 PolarHBondContact O-N 2.87Å; L6-K10 WeakPolarHBondContact O-CG 3.48Å; L6-K10 PolarHBondContact O-N 3.21Å; L6-I102 HydrophobicContact CD2-CD1 4.41Å; L6-I102 HydrophobicContact CD2-CG2 4.09Å; L6-I102 HydrophobicContact CG-CG2 4.32Å
7Y95.3Very high93.5Very high3 Ų346.4 Ų46.41%0.01224%0.243CC..Hα-helixtrans-61.8-51.7176.8179.8-110.5000111.7L3 F4 K9 K10 I11 L82 L98 K101 I102 L105L3-Y7 WeakPolarHBondContact O-CB 3.27Å; L3-Y7 PolarHBondContact O-N 3.13Å; F4-Y7 WeakPolarHBondContact O-CB 3.33Å; F4-Y7 PolarHBondContact O-N 2.78Å; F4-Y7 VanDerWaalsContact O-N 3.16Å; Y7-K9 VanDerWaalsContact C-N 3.3Å; Y7-K9 PolarHBondContact O-N 3.13Å; Y7-K10 PolarHBondContact O-N 2.87Å; Y7-I11 HydrophobicContact CD1-CD1 3.89Å; Y7-I11 HydrophobicContact CE1-CD1 3.42Å; Y7-I11 VanDerWaalsContact CE1-CD1 3.42Å; Y7-I11 HydrophobicContact CE2-CD1 4.11Å; Y7-I11 HydrophobicContact CG-CD1 4.43Å; Y7-I11 WeakPolarHBondContact O-CG1 3.3Å; Y7-I11 PolarHBondContact O-N 3.49Å; Y7-L82 WeakPolarHBondContact CE1-O 3.35Å; Y7-L82 PolarHBondContact OH-O 2.96Å; Y7-L98 HydrophobicContact CD1-CD1 3.84Å; Y7-L98 HydrophobicContact CD2-CD1 4.15Å; Y7-L98 HydrophobicContact CE1-CD1 4.35Å; Y7-L98 HydrophobicContact CG-CD1 3.7Å; Y7-K101 HydrophobicContact CD2-CB 4.32Å; Y7-K101 HydrophobicContact CE2-CB 3.67Å; Y7-K101 HydrophobicContact CE2-CD 4.4Å; Y7-I102 HydrophobicContact CD2-CG1 3.69Å; Y7-I102 HydrophobicContact CG-CG1 4.12Å; Y7-L105 HydrophobicContact CD2-CD1 3.58Å; Y7-L105 HydrophobicContact CE2-CD1 3.54Å; Y7-L105 HydrophobicContact CE2-CG 4.29Å
8T95.6Very high93.7Very high5 Ų543.9 Ų43.93%0.03123%0.23CC..Hα-helixtrans-57.4-44.4175.5-55.60000111.2F4 K10 I11 L12 L42 I46 I83F4-T8 PolarHBondContact O-N 2.67Å; F4-T8 PolarHBondContact O-OG1 2.97Å; F4-T8 VanDerWaalsContact O-OG1 3.13Å; T8-K10 PolarHBondContact O-N 2.9Å; T8-I11 PolarHBondContact O-N 2.92Å; T8-L12 PolarHBondContact O-N 3.36Å; T8-L12 VanDerWaalsContact O-N 3.08Å; T8-L42 HydrophobicContact CG2-CD2 3.63Å; T8-L42 HydrophobicContact CG2-CG 4.23Å; T8-I46 HydrophobicContact CG2-CD1 3.78Å; T8-I83 HydrophobicContact CG2-CD1 4.18Å; T8-I83 HydrophobicContact CG2-CG1 4.35Å
9K95.2Very high93.8Very high93 Ų9343.8 Ų43.840%0.40423%0.226SC..Hα-helixtrans-59.2-47.2177.2-170.6-165.3-178.6-52.30111.4N5 L6 Y7 I11 L12 D13 Y39N5-K9 VanDerWaalsContact O-CB 3.26Å; N5-K9 WeakPolarHBondContact O-CB 3.42Å; N5-K9 PolarHBondContact O-N 3.27Å; L6-K9 PolarHBondContact O-N 2.87Å; Y7-K9 VanDerWaalsContact C-N 3.3Å; Y7-K9 PolarHBondContact O-N 3.13Å; K9-I11 VanDerWaalsContact C-N 3.31Å; K9-I11 PolarHBondContact O-N 3.2Å; K9-L12 PolarHBondContact O-N 3.26Å; K9-D13 IonicContact NZ-OD1 2.61Å; K9-D13 PolarHBondContact NZ-OD1 3.06Å; K9-D13 IonicContact NZ-OD2 2.63Å; K9-D13 PolarHBondContact NZ-OD2 3.32Å; K9-D13 WeakPolarHBondContact O-CB 3.36Å; K9-D13 PolarHBondContact O-N 3.37Å; K9-Y39 HydrophobicContact CB-CD1 4.47Å; K9-Y39 HydrophobicContact CB-CE1 4.31Å; K9-Y39 HydrophobicContact CG-CD1 3.95Å; K9-Y39 HydrophobicContact CG-CE1 3.65Å
10K95.7Very high93.8Very high55 Ų5545 Ų4524%0.23923%0.233CC..Hα-helixtrans-62.4-36.8179.2-80.5-159.7179.5-170.70112.9L6 Y7 T8 S14 I102 L105L6-K10 WeakPolarHBondContact O-CG 3.48Å; L6-K10 PolarHBondContact O-N 3.21Å; Y7-K10 PolarHBondContact O-N 2.87Å; T8-K10 PolarHBondContact O-N 2.9Å; K10-S14 WeakPolarHBondContact O-CB 3.25Å; K10-S14 PolarHBondContact O-N 2.99Å; K10-S14 PolarHBondContact O-OG 3.13Å; K10-I102 HydrophobicContact CD-CG2 3.99Å; K10-I102 PolarHBondContact NZ-O 3.41Å; K10-L105 HydrophobicContact CB-CB 4.41Å; K10-L105 HydrophobicContact CB-CD1 3.73Å; K10-L105 HydrophobicContact CD-CB 4.18Å; K10-L105 HydrophobicContact CD-CD1 4.45Å
11I96.5Very high94Very high6 Ų643 Ų433%0.03122%0.223CC..Hα-helixtrans-62.2-52.6175.3-67.6168.3000109.7Y7 T8 K9 D13 S14 W15 V79 L82 I83 L105Y7-I11 HydrophobicContact CD1-CD1 3.89Å; Y7-I11 HydrophobicContact CE1-CD1 3.42Å; Y7-I11 VanDerWaalsContact CE1-CD1 3.42Å; Y7-I11 HydrophobicContact CE2-CD1 4.11Å; Y7-I11 HydrophobicContact CG-CD1 4.43Å; Y7-I11 WeakPolarHBondContact O-CG1 3.3Å; Y7-I11 PolarHBondContact O-N 3.49Å; T8-I11 PolarHBondContact O-N 2.92Å; K9-I11 VanDerWaalsContact C-N 3.31Å; K9-I11 PolarHBondContact O-N 3.2Å; I11-D13 PolarHBondContact O-N 2.88Å; I11-S14 PolarHBondContact O-N 2.99Å; I11-W15 PolarHBondContact O-N 2.96Å; I11-V79 HydrophobicContact CG2-CB 4.37Å; I11-V79 HydrophobicContact CG2-CG1 3.74Å; I11-V79 HydrophobicContact CG2-CG2 4.17Å; I11-L82 HydrophobicContact CD1-CB 3.75Å; I11-L82 HydrophobicContact CG1-CB 4.48Å; I11-I83 HydrophobicContact CD1-CG1 3.79Å; I11-I83 HydrophobicContact CG2-CG1 4.31Å; I11-L105 HydrophobicContact CG1-CD1 3.82Å; I11-L105 HydrophobicContact CG1-CD2 4.32Å
12L96.4Very high95Very high1 Ų139.9 Ų39.91%0.00521%0.208CC..Hα-helixtrans-61.3-42.4179-68.2-175.6000112.4T8 K9 S14 W15 L18 L38 Y39 L42 V79T8-L12 PolarHBondContact O-N 3.36Å; T8-L12 VanDerWaalsContact O-N 3.08Å; K9-L12 PolarHBondContact O-N 3.26Å; L12-S14 PolarHBondContact O-N 3.39Å; L12-S14 VanDerWaalsContact O-N 3.12Å; L12-W15 HydrophobicContact CD2-CE3 3.92Å; L12-W15 HydrophobicContact CD2-CZ3 4.23Å; L12-W15 PolarHBondContact O-N 2.62Å; L12-W15 VanDerWaalsContact O-N 3.14Å; L12-L18 HydrophobicContact CB-CD2 3.94Å; L12-L18 HydrophobicContact CD2-CD2 4.24Å; L12-L38 HydrophobicContact CD1-CG 4.43Å; L12-Y39 HydrophobicContact CB-CE1 3.61Å; L12-Y39 VanDerWaalsContact CB-OH 3.27Å; L12-Y39 WeakPolarHBondContact CB-OH 3.46Å; L12-Y39 HydrophobicContact CD1-CD1 3.75Å; L12-Y39 HydrophobicContact CD1-CE1 3.54Å; L12-Y39 HydrophobicContact CD1-CE2 4.44Å; L12-Y39 HydrophobicContact CD1-CG 4.3Å; L12-Y39 HydrophobicContact CG-CE1 4.22Å; L12-L42 HydrophobicContact CD1-CD2 3.6Å; L12-L42 HydrophobicContact CD2-CD2 4.12Å; L12-L42 HydrophobicContact CG-CD2 4.11Å; L12-V79 HydrophobicContact CD2-CG1 4.39Å
13D94.6Very high95.3Very high54 Ų5438.2 Ų38.229%0.28920%0.199SC..Hα-helixtrans-60.4-22.4175.9-71.5-24.2000112.2K9 I11 R19 Y39K9-D13 IonicContact NZ-OD1 2.61Å; K9-D13 PolarHBondContact NZ-OD1 3.06Å; K9-D13 IonicContact NZ-OD2 2.63Å; K9-D13 PolarHBondContact NZ-OD2 3.32Å; K9-D13 WeakPolarHBondContact O-CB 3.36Å; K9-D13 PolarHBondContact O-N 3.37Å; I11-D13 PolarHBondContact O-N 2.88Å; D13-R19 WeakPolarHBondContact O-CD 3.27Å; D13-Y39 PolarHBondContact N-OH 3.12Å; D13-Y39 PolarHBondContact OD1-OH 2.9Å; D13-Y39 VanDerWaalsContact OD1-OH 3.09Å
14S94.4Very high95.4Very high27 Ų2742 Ų4219%0.18922%0.215CC..Hα-helixtrans-98.6-15.4-178.5-52.60000112.6K10 I11 L12 T16 R19 T106K10-S14 WeakPolarHBondContact O-CB 3.25Å; K10-S14 PolarHBondContact O-N 2.99Å; K10-S14 PolarHBondContact O-OG 3.13Å; I11-S14 PolarHBondContact O-N 2.99Å; L12-S14 PolarHBondContact O-N 3.39Å; L12-S14 VanDerWaalsContact O-N 3.12Å; S14-T16 PolarHBondContact O-N 3.3Å; S14-R19 PolarHBondContact O-NE 3.12Å; S14-R19 PolarHBondContact O-NH2 3.46Å; S14-T106 PolarHBondContact OG-O 3.44Å
15W96.1Very high95.5Very high14 Ų1447.1 Ų47.15%0.05324%0.24CC..  trans-72.2113.7-177.2-172.215.1000111.3I11 L12 A17 L18 R19 L59 L63 S75 H76 V79I11-W15 PolarHBondContact O-N 2.96Å; L12-W15 HydrophobicContact CD2-CE3 3.92Å; L12-W15 HydrophobicContact CD2-CZ3 4.23Å; L12-W15 PolarHBondContact O-N 2.62Å; L12-W15 VanDerWaalsContact O-N 3.14Å; W15-A17 PolarHBondContact O-N 3.18Å; W15-L18 HydrophobicContact CB-CB 4.41Å; W15-L18 HydrophobicContact CD2-CB 4.41Å; W15-L18 HydrophobicContact CE3-CB 4.24Å; W15-L18 PolarHBondContact O-N 3.11Å; W15-R19 WeakPolarHBondContact O-CG 3.41Å; W15-R19 PolarHBondContact O-N 3.34Å; W15-R19 VanDerWaalsContact O-N 3.11Å; W15-L59 HydrophobicContact CH2-CB 4.21Å; W15-L59 HydrophobicContact CH2-CD1 4.28Å; W15-L59 HydrophobicContact CZ3-CB 4.48Å; W15-L59 HydrophobicContact CZ3-CD1 4.15Å; W15-L59 HydrophobicContact CZ3-CD2 4.24Å; W15-L63 HydrophobicContact CH2-CD1 3.18Å; W15-L63 HydrophobicContact CH2-CG 4.26Å; W15-L63 HydrophobicContact CZ2-CD1 3.53Å; W15-L63 HydrophobicContact CZ3-CD1 3.88Å; W15-S75 PolarHBondContact NE1-OG 2.9Å; W15-H76 HydrophobicContact CH2-CB 3.66Å; W15-H76 HydrophobicContact CZ2-CB 3.64Å; W15-V79 HydrophobicContact CB-CG2 4.26Å; W15-V79 HydrophobicContact CD2-CB 4.35Å; W15-V79 HydrophobicContact CD2-CG1 4.39Å; W15-V79 HydrophobicContact CD2-CG2 3.66Å; W15-V79 HydrophobicContact CE3-CB 4.31Å; W15-V79 HydrophobicContact CE3-CG1 3.91Å; W15-V79 HydrophobicContact CE3-CG2 4.03Å; W15-V79 HydrophobicContact CG-CG2 3.77Å; W15-V79 HydrophobicContact CH2-CB 4.4Å; W15-V79 HydrophobicContact CH2-CG1 4.43Å; W15-V79 HydrophobicContact CZ2-CG2 4.38Å; W15-V79 HydrophobicContact CZ3-CB 4.33Å; W15-V79 HydrophobicContact CZ3-CG1 3.92Å; W15-V79 HydrophobicContact CZ3-CG2 4.5Å
16T94.8Very high95.7Very high68 Ų6845.9 Ų45.942%0.41724%0.235SC..Hα-helixtrans-62.3-39-173.5-53.10000112.9S14 L18 R19 L20S14-T16 PolarHBondContact O-N 3.3Å; T16-L18 PolarHBondContact O-N 2.84Å; T16-R19 PolarHBondContact O-N 3.5Å; T16-R19 PolarHBondContact OG1-NH2 2.69Å; T16-L20 HydrophobicContact CG2-CD1 3.84Å; T16-L20 HydrophobicContact CG2-CG 4.09Å; T16-L20 WeakPolarHBondContact O-CB 3.43Å; T16-L20 WeakPolarHBondContact O-CG 3.32Å; T16-L20 PolarHBondContact O-N 3.44Å
17A96.8Very high95.8Very high19 Ų1943 Ų4316%0.15722%0.224CC..Hα-helixtrans-59.3-50.3179.200000111.5W15 R19 L20 G21 I69W15-A17 PolarHBondContact O-N 3.18Å; A17-R19 VanDerWaalsContact C-N 3.34Å; A17-R19 PolarHBondContact O-N 2.63Å; A17-L20 PolarHBondContact O-N 2.93Å; A17-G21 PolarHBondContact O-N 3Å; A17-I69 HydrophobicContact CB-CG2 4.22Å
18L97.6Very high95.9Very high3 Ų344.1 Ų44.12%0.01624%0.236CC..Hα-helixtrans-60.9-41.8176.7-174.464.7000112.1L12 W15 T16 L22 V35 L38 Y39 L63 L67L12-L18 HydrophobicContact CB-CD2 3.94Å; L12-L18 HydrophobicContact CD2-CD2 4.24Å; W15-L18 HydrophobicContact CB-CB 4.41Å; W15-L18 HydrophobicContact CD2-CB 4.41Å; W15-L18 HydrophobicContact CE3-CB 4.24Å; W15-L18 PolarHBondContact O-N 3.11Å; T16-L18 PolarHBondContact O-N 2.84Å; L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.12Å; L18-L22 PolarHBondContact O-N 2.84Å; L18-V35 HydrophobicContact CD1-CG1 4.32Å; L18-V35 HydrophobicContact CD1-CG2 3.95Å; L18-L38 HydrophobicContact CD1-CD2 4.07Å; L18-L38 HydrophobicContact CD2-CD2 4.29Å; L18-Y39 HydrophobicContact CD2-CE2 4.46Å; L18-L63 HydrophobicContact CD1-CD2 4.24Å; L18-L67 HydrophobicContact CD1-CD1 3.75Å
19R95.4Very high96Very high41 Ų4149.4 Ų49.416%0.15527%0.271CS..Hα-helixtrans-66.3-40.4178.3-71.5-173.1-75.1151.21.8112.8D13 S14 W15 T16 A17 N23 G108 C109 L111D13-R19 WeakPolarHBondContact O-CD 3.27Å; S14-R19 PolarHBondContact O-NE 3.12Å; S14-R19 PolarHBondContact O-NH2 3.46Å; W15-R19 WeakPolarHBondContact O-CG 3.41Å; W15-R19 PolarHBondContact O-N 3.34Å; W15-R19 VanDerWaalsContact O-N 3.11Å; T16-R19 PolarHBondContact O-N 3.5Å; T16-R19 PolarHBondContact OG1-NH2 2.69Å; A17-R19 VanDerWaalsContact C-N 3.34Å; A17-R19 PolarHBondContact O-N 2.63Å; R19-N23 WeakPolarHBondContact O-CB 3.19Å; R19-N23 PolarHBondContact O-N 3.26Å; R19-G108 VanDerWaalsContact NH1-C 3.32Å; R19-C109 PolarHBondContact NH1-O 2.98Å; R19-L111 HydrophobicContact CB-CD1 3.78Å
20L95Very high96Very high68 Ų6849.3 Ų49.336%0.35628%0.275SS..Hα-helixtrans-66-48176.2-74.9173.4000110.6T16 A17 L22 N23 Q24 L111T16-L20 HydrophobicContact CG2-CD1 3.84Å; T16-L20 HydrophobicContact CG2-CG 4.09Å; T16-L20 WeakPolarHBondContact O-CB 3.43Å; T16-L20 WeakPolarHBondContact O-CG 3.32Å; T16-L20 PolarHBondContact O-N 3.44Å; A17-L20 PolarHBondContact O-N 2.93Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.03Å; L20-N23 PolarHBondContact O-N 3.5Å; L20-N23 VanDerWaalsContact O-N 3.12Å; L20-Q24 WeakPolarHBondContact O-CB 3.39Å; L20-Q24 VanDerWaalsContact O-CG 3.27Å; L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 3.22Å; L20-L111 HydrophobicContact CD2-CD1 4.05Å; L20-L111 HydrophobicContact CD2-CD2 4.43Å; L20-L111 HydrophobicContact CG-CD1 4.44Å
21G96.1Very high96.2Very high2 Ų246.7 Ų46.72%0.02126%0.263CS..Hα-helixtrans-61.5-38.9177.900000113A17 Q24 E25 S26A17-G21 PolarHBondContact O-N 3Å; G21-Q24 PolarHBondContact O-N 3.42Å; G21-E25 PolarHBondContact O-N 2.99Å; G21-S26 VanDerWaalsContact CA-OG 3.25Å; G21-S26 WeakPolarHBondContact CA-OG 3.49Å; G21-S26 PolarHBondContact O-N 3.05Å; G21-S26 PolarHBondContact O-OG 3.4Å
22L95.9Very high96.2Very high57 Ų5753.4 Ų53.430%0.29829%0.294SS..Hα-helixtrans-61.5-44.2172.5-177.464.1000112.3L18 L20 Q24 E25 T31 Q32 V35L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.12Å; L18-L22 PolarHBondContact O-N 2.84Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.03Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-E25 PolarHBondContact O-N 3.3Å; L22-T31 HydrophobicContact CD1-CG2 4.3Å; L22-Q32 HydrophobicContact CD1-CB 4.39Å; L22-Q32 HydrophobicContact CD1-CG 3.9Å; L22-V35 HydrophobicContact CD1-CB 4.3Å; L22-V35 HydrophobicContact CD1-CG2 4.09Å
23N93.8Very high96.3Very high98 Ų9859.4 Ų59.452%0.52432%0.322SS..Hα-helixtrans-69.5-30.5179-79.2-3.3000113.2R19 L20 L111R19-N23 WeakPolarHBondContact O-CB 3.19Å; R19-N23 PolarHBondContact O-N 3.26Å; L20-N23 PolarHBondContact O-N 3.5Å; L20-N23 VanDerWaalsContact O-N 3.12Å; N23-L111 VanDerWaalsContact ND2-CD1 3.3Å; N23-L111 WeakPolarHBondContact ND2-CD1 3.43Å
24Q94.9Very high96.5Very high137 Ų13759 Ų5964%0.6432%0.318SS*.Hα-helixtrans-91.7-4.1-178.4-67.9169.50.800112.9L20 G21 L22 S26L20-Q24 WeakPolarHBondContact O-CB 3.39Å; L20-Q24 VanDerWaalsContact O-CG 3.27Å; L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 3.22Å; G21-Q24 PolarHBondContact O-N 3.42Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; Q24-S26 PolarHBondContact O-N 2.93Å
25E97.1Very high96.7Very high110 Ų11058.1 Ų58.151%0.51431%0.311SS..THydrogen-bonded Turntrans52.243.1-171.4-58.6-174.8171.200112.3G21 L22 G27 G28 T31G21-E25 PolarHBondContact O-N 2.99Å; L22-E25 PolarHBondContact O-N 3.3Å; E25-G27 PolarHBondContact O-N 3.37Å; E25-G27 VanDerWaalsContact O-N 3.12Å; E25-G28 WeakPolarHBondContact O-CA 3.37Å; E25-G28 PolarHBondContact O-N 3.4Å; E25-T31 WeakPolarHBondContact CA-OG1 3.31Å; E25-T31 PolarHBondContact O-OG1 3.46Å
26S97.6Very high96.8Very high27 Ų2759.2 Ų59.219%0.18933%0.327CS..THydrogen-bonded Turntrans-57.6-32.2-170.3600000113.6G21 Q24 G28 L67 N68 I69G21-S26 VanDerWaalsContact CA-OG 3.25Å; G21-S26 WeakPolarHBondContact CA-OG 3.49Å; G21-S26 PolarHBondContact O-N 3.05Å; G21-S26 PolarHBondContact O-OG 3.4Å; Q24-S26 PolarHBondContact O-N 2.93Å; S26-G28 VanDerWaalsContact C-N 3.29Å; S26-G28 PolarHBondContact O-N 2.97Å; S26-L67 CarbonylContact C-O 3.58Å; S26-L67 WeakPolarHBondContact CB-O 3.36Å; S26-L67 PolarHBondContact OG-O 2.86Å; S26-N68 WeakPolarHBondContact O-CB 3.46Å; S26-I69 WeakPolarHBondContact OG-CG1 3.4Å
27G97.1Very high97Very high15 Ų1558.9 Ų58.916%0.15532%0.322CS..THydrogen-bonded Turntrans-86.812.4175.500000114.8E25 T31 K34 L67E25-G27 PolarHBondContact O-N 3.37Å; E25-G27 VanDerWaalsContact O-N 3.12Å; G27-T31 VanDerWaalsContact C-OG1 3.24Å; G27-T31 VanDerWaalsContact CA-OG1 3.27Å; G27-T31 WeakPolarHBondContact CA-OG1 3.24Å; G27-T31 PolarHBondContact N-OG1 3.22Å; G27-K34 PolarHBondContact O-NZ 2.99Å; G27-L67 PolarHBondContact N-O 2.94Å; G27-L67 VanDerWaalsContact N-O 3.13Å
28G97.6Very high97Very high27 Ų2758 Ų5828%0.27832%0.315SS..  trans87.7-167.1-176.200000114.3E25 S26 N30 T31E25-G28 WeakPolarHBondContact O-CA 3.37Å; E25-G28 PolarHBondContact O-N 3.4Å; S26-G28 VanDerWaalsContact C-N 3.29Å; S26-G28 PolarHBondContact O-N 2.97Å; G28-N30 PolarHBondContact O-N 2.97Å; G28-T31 PolarHBondContact N-OG1 3.46Å; G28-T31 WeakPolarHBondContact O-CB 3.21Å; G28-T31 PolarHBondContact O-N 3.11Å; G28-T31 PolarHBondContact O-OG1 2.86Å
29P96.8Very high97Very high116 Ų11660.9 Ų60.975%0.75333%0.326SS*.THydrogen-bonded Turntrans-62.9-18-173.125-35.4000114.1
30N97.2Very high96.9Very high91 Ų9164.8 Ų64.849%0.48735%0.346SS..THydrogen-bonded Turntrans-95.710.5177.6-62-30.7000112.9G28 Q32 Q33 K34G28-N30 PolarHBondContact O-N 2.97Å; N30-Q32 VanDerWaalsContact C-N 3.25Å; N30-Q32 PolarHBondContact O-N 3.26Å; N30-Q33 WeakPolarHBondContact O-CB 3.41Å; N30-Q33 PolarHBondContact O-N 2.93Å; N30-K34 PolarHBondContact O-N 3.47Å
31T98.4Very high96.8Very high0 Ų065 Ų650%035%0.345CS..Hα-helixtrans-51.4-44.2-178.1-65.30000111.9L22 E25 G27 G28 Q33 K34 V35 L67L22-T31 HydrophobicContact CD1-CG2 4.3Å; E25-T31 WeakPolarHBondContact CA-OG1 3.31Å; E25-T31 PolarHBondContact O-OG1 3.46Å; G27-T31 VanDerWaalsContact C-OG1 3.24Å; G27-T31 VanDerWaalsContact CA-OG1 3.27Å; G27-T31 WeakPolarHBondContact CA-OG1 3.24Å; G27-T31 PolarHBondContact N-OG1 3.22Å; G28-T31 PolarHBondContact N-OG1 3.46Å; G28-T31 WeakPolarHBondContact O-CB 3.21Å; G28-T31 PolarHBondContact O-N 3.11Å; G28-T31 PolarHBondContact O-OG1 2.86Å; T31-Q33 VanDerWaalsContact C-N 3.33Å; T31-Q33 PolarHBondContact O-N 2.73Å; T31-K34 PolarHBondContact O-N 3.03Å; T31-V35 HydrophobicContact CG2-CG2 4.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.45Å; T31-V35 PolarHBondContact O-N 3.21Å; T31-L67 HydrophobicContact CG2-CD2 4.07Å
32Q98Very high96.8Very high147 Ų14765 Ų6569%0.68734%0.344SS*.Hα-helixtrans-60.2-41.9178.2-63-168.5-31.400112.8L22 N30 G36L22-Q32 HydrophobicContact CD1-CB 4.39Å; L22-Q32 HydrophobicContact CD1-CG 3.9Å; N30-Q32 VanDerWaalsContact C-N 3.25Å; N30-Q32 PolarHBondContact O-N 3.26Å; Q32-G36 PolarHBondContact O-N 3.17Å
33Q98.5Very high96.6Very high126 Ų12663.2 Ų63.259%0.58934%0.337SS*.Hα-helixtrans-66.4-45.2177.6-178.4-175.1-2.700110.8N30 T31 G36 L37N30-Q33 WeakPolarHBondContact O-CB 3.41Å; N30-Q33 PolarHBondContact O-N 2.93Å; T31-Q33 VanDerWaalsContact C-N 3.33Å; T31-Q33 PolarHBondContact O-N 2.73Å; Q33-G36 WeakPolarHBondContact O-CA 3.38Å; Q33-G36 PolarHBondContact O-N 3.44Å; Q33-G36 VanDerWaalsContact O-N 3.1Å; Q33-L37 WeakPolarHBondContact O-CG 3.43Å; Q33-L37 PolarHBondContact O-N 3.04Å
34K98.6Very high96.5Very high46 Ų4663.7 Ų63.720%0.234%0.336CS..Hα-helixtrans-59.4-50.6177.2-68.6175.4165.8-176.20110.9G27 N30 T31 G36 L37 L38 Y62 E66 L67G27-K34 PolarHBondContact O-NZ 2.99Å; N30-K34 PolarHBondContact O-N 3.47Å; T31-K34 PolarHBondContact O-N 3.03Å; K34-G36 PolarHBondContact O-N 3.22Å; K34-L37 WeakPolarHBondContact O-CA 3.15Å; K34-L37 WeakPolarHBondContact O-CB 3.36Å; K34-L37 PolarHBondContact O-N 3.42Å; K34-L38 PolarHBondContact O-N 3.38Å; K34-Y62 PolarHBondContact O-OH 2.95Å; K34-E66 HydrophobicContact CD-CB 4.29Å; K34-E66 WeakPolarHBondContact CD-O 3.4Å; K34-E66 WeakPolarHBondContact CE-O 3.4Å; K34-E66 VanDerWaalsContact CE-OE2 3.29Å; K34-E66 WeakPolarHBondContact CE-OE2 3.44Å; K34-E66 PolarHBondContact NZ-O 3.04Å; K34-E66 IonicContact NZ-OE2 3.78Å; K34-L67 HydrophobicContact CB-CD2 3.77Å; K34-L67 HydrophobicContact CD-CD2 4.36Å
35V98.4Very high96.4Very high8 Ų859 Ų595%0.04832%0.316CS..Hα-helixtrans-55.3-40.4173.2173.10000111.4L18 L22 T31 L37 L38 Y39 L67L18-V35 HydrophobicContact CD1-CG1 4.32Å; L18-V35 HydrophobicContact CD1-CG2 3.95Å; L22-V35 HydrophobicContact CD1-CB 4.3Å; L22-V35 HydrophobicContact CD1-CG2 4.09Å; T31-V35 HydrophobicContact CG2-CG2 4.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.45Å; T31-V35 PolarHBondContact O-N 3.21Å; V35-L37 PolarHBondContact O-N 3.17Å; V35-L38 VanDerWaalsContact O-CB 3.32Å; V35-L38 WeakPolarHBondContact O-CB 3.22Å; V35-L38 PolarHBondContact O-N 3.16Å; V35-Y39 HydrophobicContact CG1-CD2 4.04Å; V35-Y39 HydrophobicContact CG1-CE2 3.64Å; V35-Y39 WeakPolarHBondContact O-CD2 3.43Å; V35-Y39 PolarHBondContact O-N 3.1Å; V35-L67 HydrophobicContact CG2-CD1 3.92Å; V35-L67 HydrophobicContact CG2-CD2 3.79Å
36G97.8Very high96.3Very high37 Ų3753.8 Ų53.838%0.38129%0.292SS..Hα-helixtrans-57.5-43.5172.600000114Q32 Q33 K34 L38 Y39 E40Q32-G36 PolarHBondContact O-N 3.17Å; Q33-G36 WeakPolarHBondContact O-CA 3.38Å; Q33-G36 PolarHBondContact O-N 3.44Å; Q33-G36 VanDerWaalsContact O-N 3.1Å; K34-G36 PolarHBondContact O-N 3.22Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 2.93Å; G36-Y39 PolarHBondContact O-N 3.48Å; G36-E40 PolarHBondContact O-N 2.69Å; G36-E40 VanDerWaalsContact O-N 3.15Å
37L98.1Very high96Very high61 Ų6155.2 Ų55.232%0.31930%0.297SS..Hα-helixtrans-64.8-35.4175.9-66.5172.4000112.1Q33 K34 V35 Y39 E40 H41Q33-L37 WeakPolarHBondContact O-CG 3.43Å; Q33-L37 PolarHBondContact O-N 3.04Å; K34-L37 WeakPolarHBondContact O-CA 3.15Å; K34-L37 WeakPolarHBondContact O-CB 3.36Å; K34-L37 PolarHBondContact O-N 3.42Å; V35-L37 PolarHBondContact O-N 3.17Å; L37-Y39 PolarHBondContact O-N 3.02Å; L37-E40 PolarHBondContact O-N 3.17Å; L37-H41 WeakPolarHBondContact O-CB 3.17Å; L37-H41 PolarHBondContact O-CD2 3.49Å; L37-H41 VanDerWaalsContact O-CD2 3.3Å; L37-H41 PolarHBondContact O-N 2.94Å
38L98.1Very high95.9Very high1 Ų162.2 Ų62.21%0.00532%0.323CS..Hα-helixtrans-56.9-49.6172178.859.9000111.1L12 L18 K34 V35 G36 E40 H41 L42 F58 L59 Y62L12-L38 HydrophobicContact CD1-CG 4.43Å; L18-L38 HydrophobicContact CD1-CD2 4.07Å; L18-L38 HydrophobicContact CD2-CD2 4.29Å; K34-L38 PolarHBondContact O-N 3.38Å; V35-L38 VanDerWaalsContact O-CB 3.32Å; V35-L38 WeakPolarHBondContact O-CB 3.22Å; V35-L38 PolarHBondContact O-N 3.16Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 2.93Å; L38-E40 VanDerWaalsContact C-N 3.25Å; L38-E40 PolarHBondContact O-N 3.02Å; L38-H41 PolarHBondContact O-N 3.33Å; L38-L42 HydrophobicContact CD1-CB 4.25Å; L38-L42 WeakPolarHBondContact O-CB 3.38Å; L38-L42 PolarHBondContact O-N 2.87Å; L38-F58 HydrophobicContact CD1-CE1 3.78Å; L38-F58 HydrophobicContact CD1-CZ 4.31Å; L38-L59 HydrophobicContact CD1-CD2 4.29Å; L38-Y62 HydrophobicContact CB-CD1 4.14Å; L38-Y62 HydrophobicContact CB-CE1 3.62Å; L38-Y62 HydrophobicContact CD1-CD1 3.84Å; L38-Y62 HydrophobicContact CD1-CD2 4.4Å; L38-Y62 HydrophobicContact CD1-CE1 4.19Å; L38-Y62 HydrophobicContact CD1-CG 3.98Å; L38-Y62 HydrophobicContact CD2-CD1 4.12Å; L38-Y62 HydrophobicContact CD2-CE1 4.27Å; L38-Y62 HydrophobicContact CG-CD1 4.24Å; L38-Y62 HydrophobicContact CG-CE1 4.23Å
39Y96.5Very high95.8Very high64 Ų6461.1 Ų61.125%0.25131%0.311SS..Hα-helixtrans-62.2-31.8177.7-77-83.7000113.1K9 L12 D13 L18 V35 G36 L37 P43K9-Y39 HydrophobicContact CB-CD1 4.47Å; K9-Y39 HydrophobicContact CB-CE1 4.31Å; K9-Y39 HydrophobicContact CG-CD1 3.95Å; K9-Y39 HydrophobicContact CG-CE1 3.65Å; L12-Y39 HydrophobicContact CB-CE1 3.61Å; L12-Y39 VanDerWaalsContact CB-OH 3.27Å; L12-Y39 WeakPolarHBondContact CB-OH 3.46Å; L12-Y39 HydrophobicContact CD1-CD1 3.75Å; L12-Y39 HydrophobicContact CD1-CE1 3.54Å; L12-Y39 HydrophobicContact CD1-CE2 4.44Å; L12-Y39 HydrophobicContact CD1-CG 4.3Å; L12-Y39 HydrophobicContact CG-CE1 4.22Å; D13-Y39 PolarHBondContact N-OH 3.12Å; D13-Y39 PolarHBondContact OD1-OH 2.9Å; D13-Y39 VanDerWaalsContact OD1-OH 3.09Å; L18-Y39 HydrophobicContact CD2-CE2 4.46Å; V35-Y39 HydrophobicContact CG1-CD2 4.04Å; V35-Y39 HydrophobicContact CG1-CE2 3.64Å; V35-Y39 WeakPolarHBondContact O-CD2 3.43Å; V35-Y39 PolarHBondContact O-N 3.1Å; G36-Y39 PolarHBondContact O-N 3.48Å; L37-Y39 PolarHBondContact O-N 3.02Å; Y39-P43 VanDerWaalsContact O-CD 3.3Å; Y39-P43 WeakPolarHBondContact O-CD 3.38Å
40E94.2Very high95.7Very high122 Ų12262.4 Ų62.457%0.5731%0.305SS*.Hα-helixtrans-75.1-42.1179.1-173179.8159.300112.6G36 L37 L38G36-E40 PolarHBondContact O-N 2.69Å; G36-E40 VanDerWaalsContact O-N 3.15Å; L37-E40 PolarHBondContact O-N 3.17Å; L38-E40 VanDerWaalsContact C-N 3.25Å; L38-E40 PolarHBondContact O-N 3.02Å
41H93.3Very high95.6Very high73 Ų7363 Ų6334%0.33831%0.305SS..Hα-helixtrans-89.1-34.7-172.1-63.2-28.2000113.3L37 L38 Q44 V45L37-H41 WeakPolarHBondContact O-CB 3.17Å; L37-H41 PolarHBondContact O-CD2 3.49Å; L37-H41 VanDerWaalsContact O-CD2 3.3Å; L37-H41 PolarHBondContact O-N 2.94Å; L38-H41 PolarHBondContact O-N 3.33Å; H41-Q44 WeakPolarHBondContact O-CB 3.23Å; H41-Q44 PolarHBondContact O-N 3.12Å; H41-V45 PolarHBondContact O-N 2.84Å
42L94.8Very high95.6Very high1 Ų166.3 Ų66.31%0.00532%0.32CS..Hα-helixtrans-54.5-44-173.6179.164.9000113.4T8 L12 L38 Q44 V45 I46 F58 L59 I83T8-L42 HydrophobicContact CG2-CD2 3.63Å; T8-L42 HydrophobicContact CG2-CG 4.23Å; L12-L42 HydrophobicContact CD1-CD2 3.6Å; L12-L42 HydrophobicContact CD2-CD2 4.12Å; L12-L42 HydrophobicContact CG-CD2 4.11Å; L38-L42 HydrophobicContact CD1-CB 4.25Å; L38-L42 WeakPolarHBondContact O-CB 3.38Å; L38-L42 PolarHBondContact O-N 2.87Å; L42-Q44 PolarHBondContact O-N 3.14Å; L42-Q44 VanDerWaalsContact O-N 3.17Å; L42-V45 PolarHBondContact O-N 3.04Å; L42-V45 VanDerWaalsContact O-N 3.13Å; L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 3.81Å; L42-I46 HydrophobicContact CD2-CD1 4.18Å; L42-I46 HydrophobicContact CG-CD1 3.55Å; L42-I46 HydrophobicContact CG-CG1 4.05Å; L42-I46 WeakPolarHBondContact O-CD1 3.5Å; L42-I46 VanDerWaalsContact O-CG1 3.23Å; L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 3.44Å; L42-F58 HydrophobicContact CB-CE1 4.35Å; L42-F58 HydrophobicContact CD1-CD1 3.7Å; L42-F58 HydrophobicContact CD1-CE1 3.62Å; L42-L59 HydrophobicContact CD1-CD2 3.96Å; L42-L59 HydrophobicContact CD2-CD2 4.25Å; L42-I83 HydrophobicContact CD2-CD1 4.19Å
43P92.3Very high95.5Very high21 Ų2163.6 Ų63.614%0.13631%0.31CS..Hα-helixtrans-56.8-34.2176.8-26.435.7000114Y39 L47Y39-P43 VanDerWaalsContact O-CD 3.3Å; Y39-P43 WeakPolarHBondContact O-CD 3.38Å; P43-L47 WeakPolarHBondContact O-CD1 3.3Å; P43-L47 VanDerWaalsContact O-CG 3.22Å; P43-L47 WeakPolarHBondContact O-CG 3.29Å; P43-L47 PolarHBondContact O-N 3.09Å
44Q90.9Very high95.5Very high107 Ų10761.1 Ų61.150%0.530%0.299SS..Hα-helixtrans-74.2-36.6-179.8-55-178.124.900111.9H41 L42 K48H41-Q44 WeakPolarHBondContact O-CB 3.23Å; H41-Q44 PolarHBondContact O-N 3.12Å; L42-Q44 PolarHBondContact O-N 3.14Å; L42-Q44 VanDerWaalsContact O-N 3.17Å; Q44-K48 WeakPolarHBondContact O-CG 3.19Å
45V93.6Very high95.5Very high39 Ų3958.9 Ų58.924%0.23629%0.289CS..Hα-helixtrans-63-55.6173.7176.90000108.9H41 L42 L47 K48 S49 F58H41-V45 PolarHBondContact O-N 2.84Å; L42-V45 PolarHBondContact O-N 3.04Å; L42-V45 VanDerWaalsContact O-N 3.13Å; V45-L47 VanDerWaalsContact C-N 3.29Å; V45-L47 PolarHBondContact O-N 2.84Å; V45-K48 WeakPolarHBondContact O-CA 3.45Å; V45-K48 WeakPolarHBondContact O-CB 3.38Å; V45-K48 PolarHBondContact O-N 3.34Å; V45-S49 PolarHBondContact O-N 3.44Å; V45-S49 PolarHBondContact O-OG 2.96Å; V45-F58 HydrophobicContact CB-CG 4.49Å; V45-F58 HydrophobicContact CG1-CB 4.08Å; V45-F58 HydrophobicContact CG1-CD1 4.15Å; V45-F58 HydrophobicContact CG1-CD2 4.01Å; V45-F58 HydrophobicContact CG1-CG 3.78Å; V45-F58 HydrophobicContact CG2-CD2 3.99Å; V45-F58 HydrophobicContact CG2-CE1 4.31Å; V45-F58 HydrophobicContact CG2-CE2 3.73Å; V45-F58 HydrophobicContact CG2-CG 4.39Å; V45-F58 HydrophobicContact CG2-CZ 3.91Å
46I94.4Very high95.5Very high0 Ų059 Ų590%029%0.29CS..Hα-helixtrans-57.5-40.5-176-59.1158.2000112.5F4 T8 L42 K48 S49 I55 I83 L87F4-I46 HydrophobicContact CE1-CB 4.47Å; F4-I46 HydrophobicContact CE1-CD1 4.36Å; F4-I46 HydrophobicContact CE1-CG2 4.23Å; F4-I46 HydrophobicContact CZ-CB 4.2Å; F4-I46 HydrophobicContact CZ-CD1 4.06Å; F4-I46 HydrophobicContact CZ-CG2 3.56Å; T8-I46 HydrophobicContact CG2-CD1 3.78Å; L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 3.81Å; L42-I46 HydrophobicContact CD2-CD1 4.18Å; L42-I46 HydrophobicContact CG-CD1 3.55Å; L42-I46 HydrophobicContact CG-CG1 4.05Å; L42-I46 WeakPolarHBondContact O-CD1 3.5Å; L42-I46 VanDerWaalsContact O-CG1 3.23Å; L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 3.44Å; I46-K48 PolarHBondContact O-N 3.12Å; I46-S49 WeakPolarHBondContact O-CB 3.42Å; I46-S49 PolarHBondContact O-N 2.94Å; I46-S49 VanDerWaalsContact O-N 3.12Å; I46-I55 HydrophobicContact CB-CD1 4.37Å; I46-I55 HydrophobicContact CG1-CD1 4.23Å; I46-I55 HydrophobicContact CG1-CG1 4.41Å; I46-I55 HydrophobicContact CG1-CG2 4.34Å; I46-I55 HydrophobicContact CG2-CD1 3.73Å; I46-I83 HydrophobicContact CB-CG2 4.41Å; I46-I83 HydrophobicContact CD1-CG2 3.28Å; I46-I83 HydrophobicContact CG1-CG2 3.66Å; I46-I83 HydrophobicContact CG2-CG2 3.83Å; I46-L87 HydrophobicContact CG2-CB 4.05Å; I46-L87 HydrophobicContact CG2-CD1 4.2Å; I46-L87 HydrophobicContact CG2-CD2 3.77Å; I46-L87 HydrophobicContact CG2-CG 4.21Å; I46-L87 WeakPolarHBondContact O-CD2 3.12Å
47L92.6Very high95.5Very high58 Ų5861.1 Ų61.130%0.30429%0.293SS..Hα-helixtrans-63.7-30.8179.9-75.4170.2000113M1 P43 V45 L87 F90 R91M1-L47 HydrophobicContact CE-CD1 3.38Å; P43-L47 WeakPolarHBondContact O-CD1 3.3Å; P43-L47 VanDerWaalsContact O-CG 3.22Å; P43-L47 WeakPolarHBondContact O-CG 3.29Å; P43-L47 PolarHBondContact O-N 3.09Å; V45-L47 VanDerWaalsContact C-N 3.29Å; V45-L47 PolarHBondContact O-N 2.84Å; L47-L87 HydrophobicContact CD2-CD1 4.04Å; L47-F90 HydrophobicContact CD2-CD1 4.45Å; L47-F90 HydrophobicContact CD2-CE1 4.14Å; L47-R91 PolarHBondContact O-NH2 2.75Å
48K94.2Very high95.5Very high162 Ų16260.5 Ų60.570%0.70429%0.288SS*.Hα-helixtrans-83.3-23176-66.4173.5-175.7172.10112Q44 V45 I46 K50Q44-K48 WeakPolarHBondContact O-CG 3.19Å; V45-K48 WeakPolarHBondContact O-CA 3.45Å; V45-K48 WeakPolarHBondContact O-CB 3.38Å; V45-K48 PolarHBondContact O-N 3.34Å; I46-K48 PolarHBondContact O-N 3.12Å; K48-K50 PolarHBondContact O-N 3.2Å
49S95.3Very high95.6Very high3 Ų360.5 Ų60.52%0.02129%0.288CS..  trans-63.3133.1-178.6-54.40000112.1V45 I46 E54 I55 R91V45-S49 PolarHBondContact O-N 3.44Å; V45-S49 PolarHBondContact O-OG 2.96Å; I46-S49 WeakPolarHBondContact O-CB 3.42Å; I46-S49 PolarHBondContact O-N 2.94Å; I46-S49 VanDerWaalsContact O-N 3.12Å; S49-E54 WeakPolarHBondContact CA-OE2 3.36Å; S49-I55 WeakPolarHBondContact OG-CG1 3.3Å; S49-R91 PolarHBondContact O-NH1 2.63Å; S49-R91 PolarHBondContact O-NH2 3.43Å
50K94.8Very high95.7Very high143 Ų14361.8 Ų61.862%0.62230%0.296SS*.SBendtrans-93.2-33.9175.5-67.9178.2-176.2170.30111.5K48 E54 Y84K48-K50 PolarHBondContact O-N 3.2Å; K50-E54 PolarHBondContact N-OE2 3.2Å; K50-Y84 WeakPolarHBondContact O-CE2 3.35Å; K50-Y84 PolarHBondContact O-OH 2.78Å
51H95.7Very high95.9Very high105 Ų10560.6 Ų60.649%0.48629%0.293SS..SBendtrans-128.4164.6-173.3-57-68.8000110D53 E54H51-D53 WeakPolarHBondContact CB-OD1 3.45Å; H51-D53 IonicContact CG-OD1 3.64Å; H51-E54 HydrophobicContact CB-CG 4.47Å; H51-E54 IonicContact CD2-OE1 2.75Å
52E96.9Very high96.1Very high68 Ų6858.4 Ų58.432%0.31828%0.282SS..SBendtrans-74.3-38.5-175.7178.7-178.1141.600112.2E54 I55 S56 A80 R81 Y84E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.1Å; E52-I55 WeakPolarHBondContact O-CB 3.34Å; E52-I55 PolarHBondContact O-N 2.99Å; E52-S56 PolarHBondContact O-N 3.23Å; E52-A80 HydrophobicContact CG-CB 4.4Å; E52-R81 VanDerWaalsContact CD-CA 3.41Å; E52-R81 HydrophobicContact CG-CB 4.35Å; E52-R81 WeakPolarHBondContact OE1-CA 3.29Å; E52-R81 WeakPolarHBondContact OE1-CB 3.45Å; E52-R81 VanDerWaalsContact OE1-CG 3.24Å; E52-R81 WeakPolarHBondContact OE1-CG 3.44Å; E52-Y84 HydrophobicContact CB-CD1 4.14Å; E52-Y84 HydrophobicContact CB-CD2 4.45Å; E52-Y84 HydrophobicContact CB-CG 4.01Å
53D97.7Very high96.3Very high90 Ų9058.5 Ų58.548%0.48128%0.283SS..Hα-helixtrans-54.2-41.5172.954.9-22.7000111.7H51 I55 S56 D57H51-D53 WeakPolarHBondContact CB-OD1 3.45Å; H51-D53 IonicContact CG-OD1 3.64Å; D53-I55 PolarHBondContact O-N 2.98Å; D53-I55 VanDerWaalsContact O-N 3.12Å; D53-S56 CarbonylContact O-C 3.59Å; D53-S56 WeakPolarHBondContact O-CA 3.3Å; D53-S56 WeakPolarHBondContact O-CB 3.18Å; D53-S56 PolarHBondContact O-N 2.71Å; D53-D57 WeakPolarHBondContact O-CB 3.48Å; D53-D57 PolarHBondContact O-N 3.39Å
54E98.1Very high96.6Very high74 Ų7461 Ų6135%0.34630%0.295SS..Hα-helixtrans-60.1-27.7175.9-63.5175.5-167.900113.5S49 K50 H51 E52S49-E54 WeakPolarHBondContact CA-OE2 3.36Å; K50-E54 PolarHBondContact N-OE2 3.2Å; H51-E54 HydrophobicContact CB-CG 4.47Å; H51-E54 IonicContact CD2-OE1 2.75Å; E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.1Å
55I98.3Very high96.9Very high0 Ų061.8 Ų61.80%030%0.303CS..Hα-helixtrans-83.4-38.8174.6-57.3170.9000109.6I46 S49 E52 D53 F58 L59 A80 I83 Y84I46-I55 HydrophobicContact CB-CD1 4.37Å; I46-I55 HydrophobicContact CG1-CD1 4.23Å; I46-I55 HydrophobicContact CG1-CG1 4.41Å; I46-I55 HydrophobicContact CG1-CG2 4.34Å; I46-I55 HydrophobicContact CG2-CD1 3.73Å; S49-I55 WeakPolarHBondContact OG-CG1 3.3Å; E52-I55 WeakPolarHBondContact O-CB 3.34Å; E52-I55 PolarHBondContact O-N 2.99Å; D53-I55 PolarHBondContact O-N 2.98Å; D53-I55 VanDerWaalsContact O-N 3.12Å; I55-F58 PolarHBondContact O-N 3.2Å; I55-L59 HydrophobicContact CG2-CD1 4.18Å; I55-L59 HydrophobicContact CG2-CG 4.42Å; I55-L59 VanDerWaalsContact O-CG 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.47Å; I55-L59 PolarHBondContact O-N 2.88Å; I55-A80 HydrophobicContact CB-CB 4.01Å; I55-A80 HydrophobicContact CG2-CB 3.91Å; I55-I83 HydrophobicContact CD1-CG2 4.15Å; I55-I83 HydrophobicContact CG2-CG2 4.29Å; I55-Y84 HydrophobicContact CD1-CD2 3.95Å
56S98.4Very high97.2Very high10 Ų1063.7 Ų63.77%0.0731%0.309CS..Hα-helixtrans-59-53.9176.6-165.50000111.2E52 D53 F58 L59 E60 H76 E77E52-S56 PolarHBondContact O-N 3.23Å; D53-S56 CarbonylContact O-C 3.59Å; D53-S56 WeakPolarHBondContact O-CA 3.3Å; D53-S56 WeakPolarHBondContact O-CB 3.18Å; D53-S56 PolarHBondContact O-N 2.71Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 2.71Å; S56-L59 PolarHBondContact O-N 3.03Å; S56-E60 PolarHBondContact O-N 3.4Å; S56-H76 PolarHBondContact OG-CD2 3.3Å; S56-E77 WeakPolarHBondContact OG-CA 3.28Å
57D98.1Very high97.4Very high81 Ų8163.7 Ų63.743%0.43331%0.309SS..Hα-helixtrans-56.8-44.8178.4-62.5-5.2000110.5D53 L59 E60 D61D53-D57 WeakPolarHBondContact O-CB 3.48Å; D53-D57 PolarHBondContact O-N 3.39Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.25Å; D57-E60 PolarHBondContact O-N 3.03Å; D57-D61 VanDerWaalsContact O-CB 3.3Å; D57-D61 WeakPolarHBondContact O-CB 3.4Å; D57-D61 VanDerWaalsContact O-CG 3.24Å; D57-D61 PolarHBondContact O-N 3.43Å
58F98.4Very high97.6Very high48 Ų4866.5 Ų66.521%0.21132%0.324CS..Hα-helixtrans-61.3-41.2176.4173.6-95.2000112.7L38 L42 V45 I55 S56 Y62L38-F58 HydrophobicContact CD1-CE1 3.78Å; L38-F58 HydrophobicContact CD1-CZ 4.31Å; L42-F58 HydrophobicContact CB-CE1 4.35Å; L42-F58 HydrophobicContact CD1-CD1 3.7Å; L42-F58 HydrophobicContact CD1-CE1 3.62Å; V45-F58 HydrophobicContact CB-CG 4.49Å; V45-F58 HydrophobicContact CG1-CB 4.08Å; V45-F58 HydrophobicContact CG1-CD1 4.15Å; V45-F58 HydrophobicContact CG1-CD2 4.01Å; V45-F58 HydrophobicContact CG1-CG 3.78Å; V45-F58 HydrophobicContact CG2-CD2 3.99Å; V45-F58 HydrophobicContact CG2-CE1 4.31Å; V45-F58 HydrophobicContact CG2-CE2 3.73Å; V45-F58 HydrophobicContact CG2-CG 4.39Å; V45-F58 HydrophobicContact CG2-CZ 3.91Å; I55-F58 PolarHBondContact O-N 3.2Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 2.71Å; F58-Y62 HydrophobicContact CZ-CD2 4.17Å; F58-Y62 WeakPolarHBondContact O-CB 3.27Å; F58-Y62 PolarHBondContact O-N 2.84Å
59L98.7Very high97.8Very high2 Ų259.8 Ų59.81%0.0130%0.296CS..Hα-helixtrans-71.1-40179.4-71176.6000111.5W15 L38 L42 I55 S56 D57 L63 H76 V79 A80 I83W15-L59 HydrophobicContact CH2-CB 4.21Å; W15-L59 HydrophobicContact CH2-CD1 4.28Å; W15-L59 HydrophobicContact CZ3-CB 4.48Å; W15-L59 HydrophobicContact CZ3-CD1 4.15Å; W15-L59 HydrophobicContact CZ3-CD2 4.24Å; L38-L59 HydrophobicContact CD1-CD2 4.29Å; L42-L59 HydrophobicContact CD1-CD2 3.96Å; L42-L59 HydrophobicContact CD2-CD2 4.25Å; I55-L59 HydrophobicContact CG2-CD1 4.18Å; I55-L59 HydrophobicContact CG2-CG 4.42Å; I55-L59 VanDerWaalsContact O-CG 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.47Å; I55-L59 PolarHBondContact O-N 2.88Å; S56-L59 PolarHBondContact O-N 3.03Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.25Å; L59-L63 VanDerWaalsContact O-CB 3.22Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.03Å; L59-H76 HydrophobicContact CB-CB 4.42Å; L59-V79 HydrophobicContact CD1-CB 4.34Å; L59-V79 HydrophobicContact CD1-CG1 3.68Å; L59-A80 HydrophobicContact CD1-CB 4.33Å; L59-I83 HydrophobicContact CD1-CD1 4.33Å
60E98.4Very high98Very high91 Ų9165.3 Ų65.343%0.42532%0.324SS..Hα-helixtrans-61.8-55.3175.7-172.5174-156.600110.6S56 D57 Y62 L63 D64 H76S56-E60 PolarHBondContact O-N 3.4Å; D57-E60 PolarHBondContact O-N 3.03Å; E60-Y62 VanDerWaalsContact C-N 3.32Å; E60-Y62 PolarHBondContact O-N 2.87Å; E60-L63 PolarHBondContact O-N 3.34Å; E60-L63 VanDerWaalsContact O-N 3.17Å; E60-D64 PolarHBondContact O-N 3.38Å; E60-H76 IonicContact OE1-NE2 3.85Å; E60-H76 IonicContact OE2-NE2 3.98Å
61D98.4Very high98Very high96 Ų9659.2 Ų59.251%0.51330%0.299SS..Hα-helixtrans-56.2-46.5178.5-72.8-13.6000111D57 L63 D64 D65D57-D61 VanDerWaalsContact O-CB 3.3Å; D57-D61 WeakPolarHBondContact O-CB 3.4Å; D57-D61 VanDerWaalsContact O-CG 3.24Å; D57-D61 PolarHBondContact O-N 3.43Å; D61-L63 PolarHBondContact O-N 2.87Å; D61-D64 PolarHBondContact O-N 3.21Å; D61-D65 VanDerWaalsContact O-CB 3.23Å; D61-D65 WeakPolarHBondContact O-CB 3.24Å; D61-D65 PolarHBondContact O-N 3.43Å
62Y98.6Very high98Very high28 Ų2863 Ų6311%0.1132%0.317CS..Hα-helixtrans-66.2-40.5-179.7-166.1-81.4000112.4K34 L38 F58 E60 E66 L67K34-Y62 PolarHBondContact O-OH 2.95Å; L38-Y62 HydrophobicContact CB-CD1 4.14Å; L38-Y62 HydrophobicContact CB-CE1 3.62Å; L38-Y62 HydrophobicContact CD1-CD1 3.84Å; L38-Y62 HydrophobicContact CD1-CD2 4.4Å; L38-Y62 HydrophobicContact CD1-CE1 4.19Å; L38-Y62 HydrophobicContact CD1-CG 3.98Å; L38-Y62 HydrophobicContact CD2-CD1 4.12Å; L38-Y62 HydrophobicContact CD2-CE1 4.27Å; L38-Y62 HydrophobicContact CG-CD1 4.24Å; L38-Y62 HydrophobicContact CG-CE1 4.23Å; F58-Y62 HydrophobicContact CZ-CD2 4.17Å; F58-Y62 WeakPolarHBondContact O-CB 3.27Å; F58-Y62 PolarHBondContact O-N 2.84Å; E60-Y62 VanDerWaalsContact C-N 3.32Å; E60-Y62 PolarHBondContact O-N 2.87Å; Y62-E66 HydrophobicContact CD1-CB 4.23Å; Y62-E66 HydrophobicContact CD2-CG 4.15Å; Y62-E66 HydrophobicContact CE1-CB 3.92Å; Y62-E66 HydrophobicContact CE1-CG 4.36Å; Y62-E66 HydrophobicContact CE2-CB 4.36Å; Y62-E66 HydrophobicContact CE2-CG 3.89Å; Y62-E66 HydrophobicContact CG-CG 4.49Å; Y62-E66 VanDerWaalsContact O-CB 3.3Å; Y62-E66 WeakPolarHBondContact O-CB 3.08Å; Y62-E66 PolarHBondContact O-N 3.07Å; Y62-E66 VanDerWaalsContact O-N 3.12Å; Y62-L67 HydrophobicContact CD1-CD1 4.11Å; Y62-L67 HydrophobicContact CD1-CG 4.43Å; Y62-L67 HydrophobicContact CE1-CD1 3.97Å; Y62-L67 HydrophobicContact CE1-CG 4.16Å; Y62-L67 PolarHBondContact O-N 3.4Å
63L98.6Very high97.9Very high3 Ų365.3 Ų65.32%0.01633%0.331CS..Hα-helixtrans-66.6-42.4179.1-80175.5000111.6W15 L18 L59 E60 D61 L67 N68 I69W15-L63 HydrophobicContact CH2-CD1 3.18Å; W15-L63 HydrophobicContact CH2-CG 4.26Å; W15-L63 HydrophobicContact CZ2-CD1 3.53Å; W15-L63 HydrophobicContact CZ3-CD1 3.88Å; L18-L63 HydrophobicContact CD1-CD2 4.24Å; L59-L63 VanDerWaalsContact O-CB 3.22Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.03Å; E60-L63 PolarHBondContact O-N 3.34Å; E60-L63 VanDerWaalsContact O-N 3.17Å; D61-L63 PolarHBondContact O-N 2.87Å; L63-L67 HydrophobicContact CD2-CD1 3.91Å; L63-L67 CarbonylContact O-C 3.35Å; L63-L67 VanDerWaalsContact O-C 3.24Å; L63-L67 WeakPolarHBondContact O-CA 3.5Å; L63-L67 WeakPolarHBondContact O-CB 3.26Å; L63-L67 PolarHBondContact O-N 3.36Å; L63-N68 PolarHBondContact O-N 3.4Å; L63-I69 CarbonylContact C-O 3.1Å; L63-I69 HydrophobicContact CB-CB 4.15Å; L63-I69 WeakPolarHBondContact CB-O 3.47Å; L63-I69 HydrophobicContact CD2-CB 4.1Å; L63-I69 HydrophobicContact CD2-CD1 3.73Å; L63-I69 HydrophobicContact CD2-CG2 4.23Å; L63-I69 PolarHBondContact O-N 3.08Å
64D98.4Very high97.8Very high73 Ų7365.1 Ų65.139%0.3933%0.33SS..Hα-helixtrans-70.7-59.8178.8-166.514.4000110.7E60 D61 E66 N68 I69E60-D64 PolarHBondContact O-N 3.38Å; D61-D64 PolarHBondContact O-N 3.21Å; D64-E66 PolarHBondContact O-N 2.99Å; D64-N68 VanDerWaalsContact O-CA 3.24Å; D64-N68 WeakPolarHBondContact O-CA 3.36Å; D64-N68 PolarHBondContact O-N 3.27Å; D64-I69 PolarHBondContact N-O 3.45Å
65D98.4Very high97.8Very high123 Ų12362.5 Ų62.566%0.65832%0.32SS*.Hα-helixtrans-66.9-43.5-171-71.9-23.3000113.1D61D61-D65 VanDerWaalsContact O-CB 3.23Å; D61-D65 WeakPolarHBondContact O-CB 3.24Å; D61-D65 PolarHBondContact O-N 3.43Å
66E98.4Very high97.8Very high80 Ų8062.8 Ų62.837%0.37432%0.322SS..THydrogen-bonded Turntrans-94.3-37.1-174-64.9-63.9159.400112.3K34 Y62 D64K34-E66 HydrophobicContact CD-CB 4.29Å; K34-E66 WeakPolarHBondContact CD-O 3.4Å; K34-E66 WeakPolarHBondContact CE-O 3.4Å; K34-E66 VanDerWaalsContact CE-OE2 3.29Å; K34-E66 WeakPolarHBondContact CE-OE2 3.44Å; K34-E66 PolarHBondContact NZ-O 3.04Å; K34-E66 IonicContact NZ-OE2 3.78Å; Y62-E66 HydrophobicContact CD1-CB 4.23Å; Y62-E66 HydrophobicContact CD2-CG 4.15Å; Y62-E66 HydrophobicContact CE1-CB 3.92Å; Y62-E66 HydrophobicContact CE1-CG 4.36Å; Y62-E66 HydrophobicContact CE2-CB 4.36Å; Y62-E66 HydrophobicContact CE2-CG 3.89Å; Y62-E66 HydrophobicContact CG-CG 4.49Å; Y62-E66 VanDerWaalsContact O-CB 3.3Å; Y62-E66 WeakPolarHBondContact O-CB 3.08Å; Y62-E66 PolarHBondContact O-N 3.07Å; Y62-E66 VanDerWaalsContact O-N 3.12Å; D64-E66 PolarHBondContact O-N 2.99Å
67L98.4Very high97.8Very high0 Ų066.9 Ų66.90%034%0.34CS..THydrogen-bonded Turntrans-109.5-6-170.7-58.8174.1000113.4L18 S26 G27 T31 K34 V35 Y62 L63 I69L18-L67 HydrophobicContact CD1-CD1 3.75Å; S26-L67 CarbonylContact C-O 3.58Å; S26-L67 WeakPolarHBondContact CB-O 3.36Å; S26-L67 PolarHBondContact OG-O 2.86Å; G27-L67 PolarHBondContact N-O 2.94Å; G27-L67 VanDerWaalsContact N-O 3.13Å; T31-L67 HydrophobicContact CG2-CD2 4.07Å; K34-L67 HydrophobicContact CB-CD2 3.77Å; K34-L67 HydrophobicContact CD-CD2 4.36Å; V35-L67 HydrophobicContact CG2-CD1 3.92Å; V35-L67 HydrophobicContact CG2-CD2 3.79Å; Y62-L67 HydrophobicContact CD1-CD1 4.11Å; Y62-L67 HydrophobicContact CD1-CG 4.43Å; Y62-L67 HydrophobicContact CE1-CD1 3.97Å; Y62-L67 HydrophobicContact CE1-CG 4.16Å; Y62-L67 PolarHBondContact O-N 3.4Å; L63-L67 HydrophobicContact CD2-CD1 3.91Å; L63-L67 CarbonylContact O-C 3.35Å; L63-L67 VanDerWaalsContact O-C 3.24Å; L63-L67 WeakPolarHBondContact O-CA 3.5Å; L63-L67 WeakPolarHBondContact O-CB 3.26Å; L63-L67 PolarHBondContact O-N 3.36Å; L67-I69 HydrophobicContact CB-CD1 3.65Å; L67-I69 HydrophobicContact CB-CG1 3.99Å; L67-I69 HydrophobicContact CD1-CD1 4.3Å; L67-I69 PolarHBondContact O-N 3.3Å
68N98.3Very high97.8Very high116 Ų11667.2 Ų67.262%0.6234%0.339SS*.  trans51.645.7-176.3-174.360.1000111.5S26 L63 D64S26-N68 WeakPolarHBondContact O-CB 3.46Å; L63-N68 PolarHBondContact O-N 3.4Å; D64-N68 VanDerWaalsContact O-CA 3.24Å; D64-N68 WeakPolarHBondContact O-CA 3.36Å; D64-N68 PolarHBondContact O-N 3.27Å
69I98.4Very high97.8Very high22 Ų2265.4 Ų65.411%0.11333%0.331CS..  trans-119114.8178.4-61.1165.8000108A17 S26 L63 D64 L67A17-I69 HydrophobicContact CB-CG2 4.22Å; S26-I69 WeakPolarHBondContact OG-CG1 3.4Å; L63-I69 CarbonylContact C-O 3.1Å; L63-I69 HydrophobicContact CB-CB 4.15Å; L63-I69 WeakPolarHBondContact CB-O 3.47Å; L63-I69 HydrophobicContact CD2-CB 4.1Å; L63-I69 HydrophobicContact CD2-CD1 3.73Å; L63-I69 HydrophobicContact CD2-CG2 4.23Å; L63-I69 PolarHBondContact O-N 3.08Å; D64-I69 PolarHBondContact N-O 3.45Å; L67-I69 HydrophobicContact CB-CD1 3.65Å; L67-I69 HydrophobicContact CB-CG1 3.99Å; L67-I69 HydrophobicContact CD1-CD1 4.3Å; L67-I69 PolarHBondContact O-N 3.3Å
70I97.7Very high97.8Very high119 Ų11965.3 Ų65.361%0.6133%0.331SS*.  trans-103.2120.4172.3-59.4173.2000108.2E72I70-E72 HydrophobicContact CG2-CG 4.34Å; I70-E72 PolarHBondContact O-N 2.61Å
71C95.3Very high97.8Very high14 Ų1464.8 Ų64.810%0.09533%0.325CS..  trans-91.483.3179.6-73.90000111.2D73 N74 H76C71-D73 PolarHBondContact O-N 2.93Å; C71-D73 VanDerWaalsContact O-N 3.11Å; C71-N74 PolarHBondContact O-N 3.26Å; C71-H76 WeakPolarHBondContact CB-ND1 3.49Å
72E95.4Very high97.7Very high184 Ų18462.1 Ų62.186%0.8631%0.311SS*.THydrogen-bonded Turntrans-64.9-11.6177.3-59.8-174.9157.300114.2I70I70-E72 HydrophobicContact CG2-CG 4.34Å; I70-E72 PolarHBondContact O-N 2.61Å
73D96.2Very high97.7Very high117 Ų11760.8 Ų60.863%0.62631%0.305SS*.THydrogen-bonded Turntrans-95.34.6-18069.7-15.1000113.8C71 S75C71-D73 PolarHBondContact O-N 2.93Å; C71-D73 VanDerWaalsContact O-N 3.11Å; D73-S75 PolarHBondContact O-N 3.31Å; D73-S75 VanDerWaalsContact O-N 3.16Å; D73-S75 WeakPolarHBondContact OD1-CB 3.28Å; D73-S75 PolarHBondContact OD1-N 3.19Å; D73-S75 PolarHBondContact OD1-OG 3.15Å; D73-S75 WeakPolarHBondContact OD2-CB 3.19Å; D73-S75 PolarHBondContact OD2-OG 3.49Å
74N95.5Very high97.7Very high86 Ų8662.6 Ų62.646%0.4631%0.312SS..  trans56.424.6-175.2-54.3-22.2000113.6C71 H76 E77 E78C71-N74 PolarHBondContact O-N 3.26Å; N74-H76 PolarHBondContact O-N 2.93Å; N74-E77 HydrophobicContact CB-CG 4.19Å; N74-E77 WeakPolarHBondContact O-CB 3.26Å; N74-E77 PolarHBondContact O-N 3.39Å; N74-E77 VanDerWaalsContact O-N 3.1Å; N74-E78 PolarHBondContact O-N 3.49Å
75S97.8Very high97.6Very high19 Ų1961.7 Ų61.713%0.13331%0.306CS..Hα-helixtrans-64.4-20.6179.556.70000113.5W15 D73 V79W15-S75 PolarHBondContact NE1-OG 2.9Å; D73-S75 PolarHBondContact O-N 3.31Å; D73-S75 VanDerWaalsContact O-N 3.16Å; D73-S75 WeakPolarHBondContact OD1-CB 3.28Å; D73-S75 PolarHBondContact OD1-N 3.19Å; D73-S75 PolarHBondContact OD1-OG 3.15Å; D73-S75 WeakPolarHBondContact OD2-CB 3.19Å; D73-S75 PolarHBondContact OD2-OG 3.49Å; S75-V79 WeakPolarHBondContact O-CB 3.45Å; S75-V79 VanDerWaalsContact O-CG2 3.29Å; S75-V79 WeakPolarHBondContact O-CG2 3.47Å; S75-V79 PolarHBondContact O-N 3.36Å
76H98.1Very high97.5Very high6 Ų655.9 Ų55.93%0.02828%0.275CS..Hα-helixtrans-67.1-39.3172.860.2-83.3000112.1W15 S56 L59 E60 C71 N74 V79 A80W15-H76 HydrophobicContact CH2-CB 3.66Å; W15-H76 HydrophobicContact CZ2-CB 3.64Å; S56-H76 PolarHBondContact OG-CD2 3.3Å; L59-H76 HydrophobicContact CB-CB 4.42Å; E60-H76 IonicContact OE1-NE2 3.85Å; E60-H76 IonicContact OE2-NE2 3.98Å; C71-H76 WeakPolarHBondContact CB-ND1 3.49Å; N74-H76 PolarHBondContact O-N 2.93Å; H76-V79 PolarHBondContact O-N 3.46Å; H76-A80 WeakPolarHBondContact O-CB 3.35Å; H76-A80 PolarHBondContact O-N 2.99Å
77E98.6Very high97.3Very high96 Ų9652 Ų5245%0.44926%0.257SS..Hα-helixtrans-62.2-47.2174.3-58-177.417100110.8S56 N74 V79 A80 R81S56-E77 WeakPolarHBondContact OG-CA 3.28Å; N74-E77 HydrophobicContact CB-CG 4.19Å; N74-E77 WeakPolarHBondContact O-CB 3.26Å; N74-E77 PolarHBondContact O-N 3.39Å; N74-E77 VanDerWaalsContact O-N 3.1Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 2.98Å; E77-A80 WeakPolarHBondContact O-CB 3.38Å; E77-A80 PolarHBondContact O-N 3.37Å; E77-R81 WeakPolarHBondContact O-CB 3.44Å; E77-R81 PolarHBondContact O-N 2.75Å
78E98Very high97.2Very high88 Ų8855.3 Ų55.341%0.41127%0.274SS..Hα-helixtrans-64-38.7179.4177.661.6-172.500112N74 R81 L82N74-E78 PolarHBondContact O-N 3.49Å; E78-R81 WeakPolarHBondContact O-CB 3.45Å; E78-R81 PolarHBondContact O-N 2.67Å; E78-R81 IonicContact OE1-CZ 2.75Å; E78-R81 IonicContact OE1-NE 3.63Å; E78-R81 IonicContact OE1-NH2 3.74Å; E78-R81 PolarHBondContact OE1-NH2 2.9Å; E78-R81 IonicContact OE2-CZ 3.71Å; E78-R81 IonicContact OE2-NE 2.84Å; E78-R81 PolarHBondContact OE2-NE 3.29Å; E78-R81 IonicContact OE2-NH2 2.67Å; E78-R81 PolarHBondContact OE2-NH2 3.22Å; E78-L82 WeakPolarHBondContact O-CG 3.23Å; E78-L82 PolarHBondContact O-N 3.33Å
79V98.1Very high97.1Very high10 Ų1050.5 Ų50.56%0.06125%0.248CC..Hα-helixtrans-65.7-43.2174.5165.80000111.1I11 L12 W15 L59 S75 H76 E77 R81 L82 I83I11-V79 HydrophobicContact CG2-CB 4.37Å; I11-V79 HydrophobicContact CG2-CG1 3.74Å; I11-V79 HydrophobicContact CG2-CG2 4.17Å; L12-V79 HydrophobicContact CD2-CG1 4.39Å; W15-V79 HydrophobicContact CB-CG2 4.26Å; W15-V79 HydrophobicContact CD2-CB 4.35Å; W15-V79 HydrophobicContact CD2-CG1 4.39Å; W15-V79 HydrophobicContact CD2-CG2 3.66Å; W15-V79 HydrophobicContact CE3-CB 4.31Å; W15-V79 HydrophobicContact CE3-CG1 3.91Å; W15-V79 HydrophobicContact CE3-CG2 4.03Å; W15-V79 HydrophobicContact CG-CG2 3.77Å; W15-V79 HydrophobicContact CH2-CB 4.4Å; W15-V79 HydrophobicContact CH2-CG1 4.43Å; W15-V79 HydrophobicContact CZ2-CG2 4.38Å; W15-V79 HydrophobicContact CZ3-CB 4.33Å; W15-V79 HydrophobicContact CZ3-CG1 3.92Å; W15-V79 HydrophobicContact CZ3-CG2 4.5Å; L59-V79 HydrophobicContact CD1-CB 4.34Å; L59-V79 HydrophobicContact CD1-CG1 3.68Å; S75-V79 WeakPolarHBondContact O-CB 3.45Å; S75-V79 VanDerWaalsContact O-CG2 3.29Å; S75-V79 WeakPolarHBondContact O-CG2 3.47Å; S75-V79 PolarHBondContact O-N 3.36Å; H76-V79 PolarHBondContact O-N 3.46Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 2.98Å; V79-R81 VanDerWaalsContact C-N 3.33Å; V79-R81 PolarHBondContact O-N 3Å; V79-L82 PolarHBondContact O-N 2.81Å; V79-I83 HydrophobicContact CG1-CD1 3.73Å; V79-I83 HydrophobicContact CG1-CG1 4.47Å; V79-I83 WeakPolarHBondContact O-CB 3.28Å; V79-I83 VanDerWaalsContact O-CG1 3.26Å; V79-I83 WeakPolarHBondContact O-CG1 3.3Å; V79-I83 PolarHBondContact O-N 3.21Å
80A98.5Very high96.9Very high0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-59.1-44.3174.900000111.7E52 I55 L59 H76 E77 I83 Y84E52-A80 HydrophobicContact CG-CB 4.4Å; I55-A80 HydrophobicContact CB-CB 4.01Å; I55-A80 HydrophobicContact CG2-CB 3.91Å; L59-A80 HydrophobicContact CD1-CB 4.33Å; H76-A80 WeakPolarHBondContact O-CB 3.35Å; H76-A80 PolarHBondContact O-N 2.99Å; E77-A80 WeakPolarHBondContact O-CB 3.38Å; E77-A80 PolarHBondContact O-N 3.37Å; A80-I83 PolarHBondContact O-N 3.3Å; A80-Y84 WeakPolarHBondContact O-CB 3.41Å; A80-Y84 PolarHBondContact O-N 2.79Å
81R98.3Very high96.7Very high81 Ų8151.9 Ų51.931%0.30625%0.246SC..Hα-helixtrans-55.5-52.7174-164.2177.972.170.911.7112.5E52 E77 E78 V79 I83 Y84 E85E52-R81 VanDerWaalsContact CD-CA 3.41Å; E52-R81 HydrophobicContact CG-CB 4.35Å; E52-R81 WeakPolarHBondContact OE1-CA 3.29Å; E52-R81 WeakPolarHBondContact OE1-CB 3.45Å; E52-R81 VanDerWaalsContact OE1-CG 3.24Å; E52-R81 WeakPolarHBondContact OE1-CG 3.44Å; E77-R81 WeakPolarHBondContact O-CB 3.44Å; E77-R81 PolarHBondContact O-N 2.75Å; E78-R81 WeakPolarHBondContact O-CB 3.45Å; E78-R81 PolarHBondContact O-N 2.67Å; E78-R81 IonicContact OE1-CZ 2.75Å; E78-R81 IonicContact OE1-NE 3.63Å; E78-R81 IonicContact OE1-NH2 3.74Å; E78-R81 PolarHBondContact OE1-NH2 2.9Å; E78-R81 IonicContact OE2-CZ 3.71Å; E78-R81 IonicContact OE2-NE 2.84Å; E78-R81 PolarHBondContact OE2-NE 3.29Å; E78-R81 IonicContact OE2-NH2 2.67Å; E78-R81 PolarHBondContact OE2-NH2 3.22Å; V79-R81 VanDerWaalsContact C-N 3.33Å; V79-R81 PolarHBondContact O-N 3Å; R81-I83 VanDerWaalsContact C-N 3.29Å; R81-I83 PolarHBondContact O-N 3.12Å; R81-Y84 PolarHBondContact O-N 2.96Å; R81-E85 IonicContact CZ-OE1 2.71Å; R81-E85 IonicContact NH1-OE1 3.41Å; R81-E85 PolarHBondContact NH1-OE1 3.22Å; R81-E85 WeakPolarHBondContact O-CG 3.05Å; R81-E85 PolarHBondContact O-N 3Å
82L97.6Very high96.7Very high39 Ų3957.2 Ų57.220%0.20427%0.273CS..Hα-helixtrans-60.4-40.8-179.9-71.5173.3000111.8Y7 I11 E78 V79 G86Y7-L82 WeakPolarHBondContact CE1-O 3.35Å; Y7-L82 PolarHBondContact OH-O 2.96Å; I11-L82 HydrophobicContact CD1-CB 3.75Å; I11-L82 HydrophobicContact CG1-CB 4.48Å; E78-L82 WeakPolarHBondContact O-CG 3.23Å; E78-L82 PolarHBondContact O-N 3.33Å; V79-L82 PolarHBondContact O-N 2.81Å; L82-G86 PolarHBondContact O-N 3.2Å
83I97.6Very high96.6Very high0 Ų056.8 Ų56.80%027%0.269CS..Hα-helixtrans-65.9-45.5176.6-71.8170.5000110.7T8 I11 L42 I46 I55 L59 V79 A80 R81 E85 G86 L87T8-I83 HydrophobicContact CG2-CD1 4.18Å; T8-I83 HydrophobicContact CG2-CG1 4.35Å; I11-I83 HydrophobicContact CD1-CG1 3.79Å; I11-I83 HydrophobicContact CG2-CG1 4.31Å; L42-I83 HydrophobicContact CD2-CD1 4.19Å; I46-I83 HydrophobicContact CB-CG2 4.41Å; I46-I83 HydrophobicContact CD1-CG2 3.28Å; I46-I83 HydrophobicContact CG1-CG2 3.66Å; I46-I83 HydrophobicContact CG2-CG2 3.83Å; I55-I83 HydrophobicContact CD1-CG2 4.15Å; I55-I83 HydrophobicContact CG2-CG2 4.29Å; L59-I83 HydrophobicContact CD1-CD1 4.33Å; V79-I83 HydrophobicContact CG1-CD1 3.73Å; V79-I83 HydrophobicContact CG1-CG1 4.47Å; V79-I83 WeakPolarHBondContact O-CB 3.28Å; V79-I83 VanDerWaalsContact O-CG1 3.26Å; V79-I83 WeakPolarHBondContact O-CG1 3.3Å; V79-I83 PolarHBondContact O-N 3.21Å; A80-I83 PolarHBondContact O-N 3.3Å; R81-I83 VanDerWaalsContact C-N 3.29Å; R81-I83 PolarHBondContact O-N 3.12Å; I83-E85 PolarHBondContact O-N 3.06Å; I83-G86 WeakPolarHBondContact O-CA 3.44Å; I83-G86 PolarHBondContact O-N 3.37Å; I83-G86 VanDerWaalsContact O-N 3.09Å; I83-L87 PolarHBondContact O-N 3.13Å
84Y97.9Very high96.6Very high41 Ų4153.9 Ų53.916%0.16125%0.253CS..Hα-helixtrans-63.1-41.2179.6-171.4-104.5000111.7K50 E52 I55 A80 R81 G86 L87 L88K50-Y84 WeakPolarHBondContact O-CE2 3.35Å; K50-Y84 PolarHBondContact O-OH 2.78Å; E52-Y84 HydrophobicContact CB-CD1 4.14Å; E52-Y84 HydrophobicContact CB-CD2 4.45Å; E52-Y84 HydrophobicContact CB-CG 4.01Å; I55-Y84 HydrophobicContact CD1-CD2 3.95Å; A80-Y84 WeakPolarHBondContact O-CB 3.41Å; A80-Y84 PolarHBondContact O-N 2.79Å; R81-Y84 PolarHBondContact O-N 2.96Å; Y84-G86 VanDerWaalsContact C-N 3.29Å; Y84-G86 PolarHBondContact O-N 3.17Å; Y84-L87 HydrophobicContact CD2-CD2 4.08Å; Y84-L87 HydrophobicContact CE2-CD2 4.23Å; Y84-L87 WeakPolarHBondContact O-CB 3.43Å; Y84-L87 PolarHBondContact O-N 3.17Å; Y84-L87 VanDerWaalsContact O-N 3.08Å; Y84-L88 HydrophobicContact CD1-CD1 4.01Å; Y84-L88 HydrophobicContact CD1-CG 4.15Å; Y84-L88 HydrophobicContact CE1-CD1 3.68Å; Y84-L88 HydrophobicContact CE1-CD2 4Å; Y84-L88 HydrophobicContact CE1-CG 3.87Å; Y84-L88 WeakPolarHBondContact O-CG 3.5Å; Y84-L88 PolarHBondContact O-N 2.94Å
85E96.7Very high96.5Very high55 Ų5553.8 Ų53.826%0.25726%0.256SS..Hα-helixtrans-55.6-45170.5-73.7-179-176.900111.7R81 I83 L87 L88 L89 K101R81-E85 IonicContact CZ-OE1 2.71Å; R81-E85 IonicContact NH1-OE1 3.41Å; R81-E85 PolarHBondContact NH1-OE1 3.22Å; R81-E85 WeakPolarHBondContact O-CG 3.05Å; R81-E85 PolarHBondContact O-N 3Å; I83-E85 PolarHBondContact O-N 3.06Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.39Å; E85-L88 PolarHBondContact O-N 2.97Å; E85-L89 WeakPolarHBondContact O-CG 2.82Å; E85-L89 PolarHBondContact O-N 3.13Å; E85-K101 IonicContact OE2-NZ 3.99Å; E85-K101 PolarHBondContact OE2-NZ 2.91Å
86G95.9Very high96.4Very high0 Ų059.3 Ų59.30%028%0.279CS..Hα-helixtrans-61.2-38.5175.200000113L82 I83 Y84 L89 F90L82-G86 PolarHBondContact O-N 3.2Å; I83-G86 WeakPolarHBondContact O-CA 3.44Å; I83-G86 PolarHBondContact O-N 3.37Å; I83-G86 VanDerWaalsContact O-N 3.09Å; Y84-G86 VanDerWaalsContact C-N 3.29Å; Y84-G86 PolarHBondContact O-N 3.17Å; G86-L89 PolarHBondContact O-N 2.84Å; G86-F90 WeakPolarHBondContact O-CB 3.4Å; G86-F90 PolarHBondContact O-N 2.95Å
87L95.6Very high96.3Very high0 Ų063 Ų630%030%0.297CS..Hα-helixtrans-64.8-43175.9175.566.4000111.3F4 I46 L47 I83 Y84 E85 F90 R91F4-L87 HydrophobicContact CE2-CB 3.99Å; F4-L87 HydrophobicContact CZ-CB 4.24Å; F4-L87 HydrophobicContact CZ-CD1 4.44Å; I46-L87 HydrophobicContact CG2-CB 4.05Å; I46-L87 HydrophobicContact CG2-CD1 4.2Å; I46-L87 HydrophobicContact CG2-CD2 3.77Å; I46-L87 HydrophobicContact CG2-CG 4.21Å; I46-L87 WeakPolarHBondContact O-CD2 3.12Å; L47-L87 HydrophobicContact CD2-CD1 4.04Å; I83-L87 PolarHBondContact O-N 3.13Å; Y84-L87 HydrophobicContact CD2-CD2 4.08Å; Y84-L87 HydrophobicContact CE2-CD2 4.23Å; Y84-L87 WeakPolarHBondContact O-CB 3.43Å; Y84-L87 PolarHBondContact O-N 3.17Å; Y84-L87 VanDerWaalsContact O-N 3.08Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.39Å; L87-F90 PolarHBondContact O-N 2.99Å; L87-R91 HydrophobicContact CD1-CG 4.28Å; L87-R91 WeakPolarHBondContact O-CB 3.34Å; L87-R91 WeakPolarHBondContact O-CG 3.22Å; L87-R91 PolarHBondContact O-N 2.91Å
88L96.3Very high96.2Very high68 Ų6858.5 Ų58.536%0.35628%0.275SS..Hα-helixtrans-62.7-45.1176.5-66.9-177.5000111.4Y84 E85 F90 R91 N92Y84-L88 HydrophobicContact CD1-CD1 4.01Å; Y84-L88 HydrophobicContact CD1-CG 4.15Å; Y84-L88 HydrophobicContact CE1-CD1 3.68Å; Y84-L88 HydrophobicContact CE1-CD2 4Å; Y84-L88 HydrophobicContact CE1-CG 3.87Å; Y84-L88 WeakPolarHBondContact O-CG 3.5Å; Y84-L88 PolarHBondContact O-N 2.94Å; E85-L88 PolarHBondContact O-N 2.97Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 3.16Å; L88-R91 PolarHBondContact O-N 3.42Å; L88-N92 WeakPolarHBondContact O-CB 3.46Å; L88-N92 VanDerWaalsContact O-CG 3.23Å; L88-N92 PolarHBondContact O-N 2.89Å; L88-N92 PolarHBondContact O-ND2 3.38Å
89L95.9Very high96.1Very high16 Ų1657.4 Ų57.48%0.08427%0.271CS..Hα-helixtrans-60.8-42.2175.3-67.8175.9000111.8E85 G86 N92 K93 N94 E97 L98 K101E85-L89 WeakPolarHBondContact O-CG 2.82Å; E85-L89 PolarHBondContact O-N 3.13Å; G86-L89 PolarHBondContact O-N 2.84Å; L89-N92 CarbonylContact O-C 3.24Å; L89-N92 PolarHBondContact O-N 3.08Å; L89-K93 PolarHBondContact O-N 3.42Å; L89-K93 VanDerWaalsContact O-N 3.15Å; L89-N94 HydrophobicContact CD2-CB 4.13Å; L89-N94 PolarHBondContact O-N 2.96Å; L89-E97 HydrophobicContact CD1-CB 4.24Å; L89-E97 HydrophobicContact CD1-CG 3.91Å; L89-E97 HydrophobicContact CD2-CB 4.08Å; L89-E97 VanDerWaalsContact CD2-CD 3.45Å; L89-E97 HydrophobicContact CD2-CG 3.99Å; L89-E97 WeakPolarHBondContact CD2-OE2 3.43Å; L89-L98 HydrophobicContact CB-CB 4.33Å; L89-L98 HydrophobicContact CD1-CB 4.47Å; L89-K101 HydrophobicContact CD1-CD 3.67Å
90F93.8Very high96.1Very high64 Ų6459.9 Ų59.928%0.28128%0.283SS..Hα-helixtrans-62.2-47175.6176.9-105.6000112.1F4 L47 G86 L87 L88 N92 K93F4-F90 HydrophobicContact CB-CB 4.38Å; F4-F90 HydrophobicContact CB-CD2 4.01Å; F4-F90 HydrophobicContact CB-CG 4.15Å; F4-F90 HydrophobicContact CD2-CB 4.2Å; F4-F90 HydrophobicContact CG-CB 4.44Å; F4-F90 HydrophobicContact CG-CG 4.4Å; L47-F90 HydrophobicContact CD2-CD1 4.45Å; L47-F90 HydrophobicContact CD2-CE1 4.14Å; G86-F90 WeakPolarHBondContact O-CB 3.4Å; G86-F90 PolarHBondContact O-N 2.95Å; L87-F90 PolarHBondContact O-N 2.99Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 3.16Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 2.92Å; F90-K93 PolarHBondContact O-N 3.37Å
91R93.7Very high95.9Very high106 Ų10662.3 Ų62.340%0.429%0.294SS..Hα-helixtrans-62-39.1177.5-76.2175.5171.8161.70.4111.9L47 S49 L87 L88 K93L47-R91 PolarHBondContact O-NH2 2.75Å; S49-R91 PolarHBondContact O-NH1 2.63Å; S49-R91 PolarHBondContact O-NH2 3.43Å; L87-R91 HydrophobicContact CD1-CG 4.28Å; L87-R91 WeakPolarHBondContact O-CB 3.34Å; L87-R91 WeakPolarHBondContact O-CG 3.22Å; L87-R91 PolarHBondContact O-N 2.91Å; L88-R91 PolarHBondContact O-N 3.42Å; R91-K93 PolarHBondContact O-N 3.09Å
92N95.1Very high95.8Very high125 Ų12558.5 Ų58.567%0.66828%0.279SS*.THydrogen-bonded Turntrans-781.4176.6-66.5-22.1000113.4L88 L89 F90 N94L88-N92 WeakPolarHBondContact O-CB 3.46Å; L88-N92 VanDerWaalsContact O-CG 3.23Å; L88-N92 PolarHBondContact O-N 2.89Å; L88-N92 PolarHBondContact O-ND2 3.38Å; L89-N92 CarbonylContact O-C 3.24Å; L89-N92 PolarHBondContact O-N 3.08Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 2.92Å; N92-N94 PolarHBondContact O-N 3.02Å; N92-N94 VanDerWaalsContact O-N 3.15Å
93K93.4Very high95.7Very high176 Ų17661.6 Ų61.677%0.76530%0.296SS*.THydrogen-bonded Turntrans55.924.5-176.1-57.4179.6179.8178.50113.5L89 F90 R91 T95L89-K93 PolarHBondContact O-N 3.42Å; L89-K93 VanDerWaalsContact O-N 3.15Å; F90-K93 PolarHBondContact O-N 3.37Å; R91-K93 PolarHBondContact O-N 3.09Å; K93-T95 PolarHBondContact O-N 3.27Å
94N95.9Very high95.5Very high56 Ų5668.5 Ų68.530%0.29933%0.326SS..  trans-83.971175.7-171.5-4.4000109.7L89 N92 H96 E97 L98L89-N94 HydrophobicContact CD2-CB 4.13Å; L89-N94 PolarHBondContact O-N 2.96Å; N92-N94 PolarHBondContact O-N 3.02Å; N92-N94 VanDerWaalsContact O-N 3.15Å; N94-H96 VanDerWaalsContact C-N 3.28Å; N94-H96 PolarHBondContact O-N 3.49Å; N94-E97 WeakPolarHBondContact ND2-CB 3.49Å; N94-E97 PolarHBondContact ND2-OE2 2.84Å; N94-E97 WeakPolarHBondContact OD1-CB 3.46Å; N94-E97 PolarHBondContact OD1-N 2.91Å; N94-L98 PolarHBondContact O-N 3.02Å
95T93.5Very high95.2Very high83 Ų8368.3 Ų68.351%0.50933%0.328SS..Hα-helixtrans-68.9-27.5-177540000112.6L3 K93 Q99L3-T95 HydrophobicContact CD1-CG2 4.5Å; K93-T95 PolarHBondContact O-N 3.27Å; T95-Q99 WeakPolarHBondContact O-CB 3.44Å; T95-Q99 PolarHBondContact O-N 3Å
96H96.3Very high94.5Very high135 Ų13571 Ų7163%0.62535%0.349SS*.Hα-helixtrans-64.3-52.7177.5179.7-76000111N94 L98 Q99 D100N94-H96 VanDerWaalsContact C-N 3.28Å; N94-H96 PolarHBondContact O-N 3.49Å; H96-L98 VanDerWaalsContact C-N 3.3Å; H96-L98 PolarHBondContact O-N 3.12Å; H96-Q99 WeakPolarHBondContact O-CB 3.35Å; H96-Q99 PolarHBondContact O-N 3.3Å; H96-D100 IonicContact CE1-OD1 3.96Å; H96-D100 WeakPolarHBondContact O-CB 3.22Å; H96-D100 PolarHBondContact O-N 3.31Å
97E96.5Very high93.7Very high84 Ų8476.8 Ų76.839%0.39338%0.384SS..Hα-helixtrans-65.4-35.5179.7-170.617716500112.3L89 N94 D100 K101L89-E97 HydrophobicContact CD1-CB 4.24Å; L89-E97 HydrophobicContact CD1-CG 3.91Å; L89-E97 HydrophobicContact CD2-CB 4.08Å; L89-E97 VanDerWaalsContact CD2-CD 3.45Å; L89-E97 HydrophobicContact CD2-CG 3.99Å; L89-E97 WeakPolarHBondContact CD2-OE2 3.43Å; N94-E97 WeakPolarHBondContact ND2-CB 3.49Å; N94-E97 PolarHBondContact ND2-OE2 2.84Å; N94-E97 WeakPolarHBondContact OD1-CB 3.46Å; N94-E97 PolarHBondContact OD1-N 2.91Å; E97-D100 WeakPolarHBondContact O-CB 3.46Å; E97-D100 PolarHBondContact O-N 3.31Å; E97-K101 PolarHBondContact O-N 2.94Å
98L95.9Very high92.6Very high1 Ų177.8 Ų77.81%0.00539%0.394CS..Hα-helixtrans-62.1-44.5173.7-176.561.3000111.5L3 F4 Y7 L89 N94 H96 D100 K101 I102L3-L98 HydrophobicContact CB-CD2 4.02Å; F4-L98 HydrophobicContact CB-CD2 4.37Å; Y7-L98 HydrophobicContact CD1-CD1 3.84Å; Y7-L98 HydrophobicContact CD2-CD1 4.15Å; Y7-L98 HydrophobicContact CE1-CD1 4.35Å; Y7-L98 HydrophobicContact CG-CD1 3.7Å; L89-L98 HydrophobicContact CB-CB 4.33Å; L89-L98 HydrophobicContact CD1-CB 4.47Å; N94-L98 PolarHBondContact O-N 3.02Å; H96-L98 VanDerWaalsContact C-N 3.3Å; H96-L98 PolarHBondContact O-N 3.12Å; L98-D100 VanDerWaalsContact C-N 3.34Å; L98-K101 PolarHBondContact O-N 3.3Å; L98-I102 HydrophobicContact CG-CD1 4.35Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.44Å; L98-I102 PolarHBondContact O-N 3.21Å
99Q96.5Very high91.9Very high66 Ų6679 Ų7931%0.30841%0.408SS..Hα-helixtrans-61.1-44.5174.4-175.462.553.200111.3T95 H96 K101 I102 D103T95-Q99 WeakPolarHBondContact O-CB 3.44Å; T95-Q99 PolarHBondContact O-N 3Å; H96-Q99 WeakPolarHBondContact O-CB 3.35Å; H96-Q99 PolarHBondContact O-N 3.3Å; Q99-K101 VanDerWaalsContact C-N 3.27Å; Q99-K101 PolarHBondContact O-N 2.92Å; Q99-I102 WeakPolarHBondContact O-CA 3.32Å; Q99-I102 WeakPolarHBondContact O-CB 3.44Å; Q99-I102 PolarHBondContact O-N 2.98Å; Q99-D103 PolarHBondContact NE2-OD1 3.19Å; Q99-D103 PolarHBondContact NE2-OD2 3.17Å; Q99-D103 VanDerWaalsContact O-CG 3.31Å; Q99-D103 PolarHBondContact O-N 3.28Å
100D96.4Very high91.2Very high61 Ų6182.2 Ų82.233%0.32643%0.425SS..Hα-helixtrans-59.1-38.6177.9-126.455.4000112H96 E97 L98 K104H96-D100 IonicContact CE1-OD1 3.96Å; H96-D100 WeakPolarHBondContact O-CB 3.22Å; H96-D100 PolarHBondContact O-N 3.31Å; E97-D100 WeakPolarHBondContact O-CB 3.46Å; E97-D100 PolarHBondContact O-N 3.31Å; L98-D100 VanDerWaalsContact C-N 3.34Å; D100-K104 WeakPolarHBondContact O-CD 3.37Å; D100-K104 VanDerWaalsContact O-CG 3.28Å; D100-K104 WeakPolarHBondContact O-CG 3.45Å; D100-K104 PolarHBondContact O-N 2.96Å; D100-K104 IonicContact OD2-NZ 3.25Å; D100-K104 PolarHBondContact OD2-NZ 3.37Å
101K95.5Very high90.5Very high51 Ų5181.6 Ų81.622%0.22242%0.424CS..Hα-helixtrans-68.4-43172.9-76.8-177.6175.5-94.30111.6Y7 E85 L89 E97 L98 Q99 D103 K104 L105Y7-K101 HydrophobicContact CD2-CB 4.32Å; Y7-K101 HydrophobicContact CE2-CB 3.67Å; Y7-K101 HydrophobicContact CE2-CD 4.4Å; E85-K101 IonicContact OE2-NZ 3.99Å; E85-K101 PolarHBondContact OE2-NZ 2.91Å; L89-K101 HydrophobicContact CD1-CD 3.67Å; E97-K101 PolarHBondContact O-N 2.94Å; L98-K101 PolarHBondContact O-N 3.3Å; Q99-K101 VanDerWaalsContact C-N 3.27Å; Q99-K101 PolarHBondContact O-N 2.92Å; K101-D103 PolarHBondContact O-N 2.94Å; K101-K104 PolarHBondContact O-N 3.25Å; K101-L105 WeakPolarHBondContact O-CG 3.32Å; K101-L105 PolarHBondContact O-N 2.98Å; K101-L105 VanDerWaalsContact O-N 3.07Å
102I95.7Very high89.8Confident1 Ų182 Ų821%0.00543%0.434CS..Hα-helixtrans-56.1-39.7175.2-69.8166.3000111.2L3 L6 Y7 K10 L98 Q99L3-I102 HydrophobicContact CB-CD1 4.34Å; L3-I102 HydrophobicContact CD2-CD1 4.14Å; L3-I102 WeakPolarHBondContact O-CD1 3.39Å; L6-I102 HydrophobicContact CD2-CD1 4.41Å; L6-I102 HydrophobicContact CD2-CG2 4.09Å; L6-I102 HydrophobicContact CG-CG2 4.32Å; Y7-I102 HydrophobicContact CD2-CG1 3.69Å; Y7-I102 HydrophobicContact CG-CG1 4.12Å; K10-I102 HydrophobicContact CD-CG2 3.99Å; K10-I102 PolarHBondContact NZ-O 3.41Å; L98-I102 HydrophobicContact CG-CD1 4.35Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.44Å; L98-I102 PolarHBondContact O-N 3.21Å; Q99-I102 WeakPolarHBondContact O-CA 3.32Å; Q99-I102 WeakPolarHBondContact O-CB 3.44Å; Q99-I102 PolarHBondContact O-N 2.98Å
103D94.9Very high88.7Confident104 Ų10483.1 Ų83.156%0.55644%0.436SS*.Hα-helixtrans-76.3-27.5-177.2-64.7-22.9000112.5Q99 K101Q99-D103 PolarHBondContact NE2-OD1 3.19Å; Q99-D103 PolarHBondContact NE2-OD2 3.17Å; Q99-D103 VanDerWaalsContact O-CG 3.31Å; Q99-D103 PolarHBondContact O-N 3.28Å; K101-D103 PolarHBondContact O-N 2.94Å
104K93.4Very high87.3Confident145 Ų14580.6 Ų80.663%0.6344%0.438SS*.Hα-helixtrans-81.3-20.5175.1-70.9166.3-167.5157.50113.6D100 K101 T106D100-K104 WeakPolarHBondContact O-CD 3.37Å; D100-K104 VanDerWaalsContact O-CG 3.28Å; D100-K104 WeakPolarHBondContact O-CG 3.45Å; D100-K104 PolarHBondContact O-N 2.96Å; D100-K104 IonicContact OD2-NZ 3.25Å; D100-K104 PolarHBondContact OD2-NZ 3.37Å; K101-K104 PolarHBondContact O-N 3.25Å; K104-T106 PolarHBondContact O-N 3.24Å
105L91.6Very high85.8Confident37 Ų3784.3 Ų84.319%0.19446%0.457CS..  trans-66.9115.3175.6-74.6174.7000110.3Y7 K10 I11 K101Y7-L105 HydrophobicContact CD2-CD1 3.58Å; Y7-L105 HydrophobicContact CE2-CD1 3.54Å; Y7-L105 HydrophobicContact CE2-CG 4.29Å; K10-L105 HydrophobicContact CB-CB 4.41Å; K10-L105 HydrophobicContact CB-CD1 3.73Å; K10-L105 HydrophobicContact CD-CB 4.18Å; K10-L105 HydrophobicContact CD-CD1 4.45Å; I11-L105 HydrophobicContact CG1-CD1 3.82Å; I11-L105 HydrophobicContact CG1-CD2 4.32Å; K101-L105 WeakPolarHBondContact O-CG 3.32Å; K101-L105 PolarHBondContact O-N 2.98Å; K101-L105 VanDerWaalsContact O-N 3.07Å
106T83.7Confident84.3Confident113 Ų11385.7 Ų85.769%0.69347%0.468SS*.PPolyproline II helixtrans-75.2135.817455.30000110.2S14 K104S14-T106 PolarHBondContact OG-O 3.44Å; K104-T106 PolarHBondContact O-N 3.24Å
107T78.3Confident82.7Confident120 Ų12087.1 Ų87.174%0.73648%0.475SS*.PPolyproline II helixtrans-63.7139.6165.8-53.50000109.4
108G72.8Confident80.7Confident22 Ų2289.8 Ų89.823%0.22749%0.492CS..PPolyproline II helixtrans-52.6143.4176.700000113.1R19R19-G108 VanDerWaalsContact NH1-C 3.32Å
109C80.7Confident78.6Confident94 Ų9496.6 Ų96.664%0.63552%0.524SS*.PPolyproline II helixtrans-65.6161.2175.262.70000112.1R19 L111R19-C109 PolarHBondContact NH1-O 2.98Å; C109-L111 PolarHBondContact O-N 2.69Å
110N80.8Confident76.3Confident83 Ų8398.3 Ų98.344%0.44454%0.539SS..  trans-71.1115.4174.1-171.6-58000109.8N112 Q113N110-N112 PolarHBondContact O-N 2.73Å; N110-N112 WeakPolarHBondContact OD1-CA 3.33Å; N110-N112 WeakPolarHBondContact OD1-CB 3.48Å; N110-N112 PolarHBondContact OD1-N 3.46Å; N110-Q113 HydrophobicContact CB-CB 4.37Å; N110-Q113 HydrophobicContact CB-CG 3.79Å; N110-Q113 PolarHBondContact O-N 3.28Å; N110-Q113 PolarHBondContact OD1-N 2.9Å
111L80.7Confident73.8Confident51 Ų51100.3 Ų100.327%0.26755%0.554SS.*THydrogen-bonded Turntrans-66.8-17.5-176.6-65.4174.2000113.4R19 L20 N23 C109R19-L111 HydrophobicContact CB-CD1 3.78Å; L20-L111 HydrophobicContact CD2-CD1 4.05Å; L20-L111 HydrophobicContact CD2-CD2 4.43Å; L20-L111 HydrophobicContact CG-CD1 4.44Å; N23-L111 VanDerWaalsContact ND2-CD1 3.3Å; N23-L111 WeakPolarHBondContact ND2-CD1 3.43Å; C109-L111 PolarHBondContact O-N 2.69Å
112N78.8Confident71.5Confident113 Ų113105.2 Ų105.260%0.60458%0.582SS**THydrogen-bonded Turntrans-90.8-5.8179.5-55.6-39000113.2N110 C114 L115N110-N112 PolarHBondContact O-N 2.73Å; N110-N112 WeakPolarHBondContact OD1-CA 3.33Å; N110-N112 WeakPolarHBondContact OD1-CB 3.48Å; N110-N112 PolarHBondContact OD1-N 3.46Å; N112-C114 VanDerWaalsContact C-N 3.34Å; N112-L115 WeakPolarHBondContact O-CD1 3.4Å
113Q72.5Confident69.4Low150 Ų150109.3 Ų109.370%0.70162%0.616SS**SBendtrans-81.1-14-178.9-76178.5-9.200113.5N110 L115N110-Q113 HydrophobicContact CB-CB 4.37Å; N110-Q113 HydrophobicContact CB-CG 3.79Å; N110-Q113 PolarHBondContact O-N 3.28Å; N110-Q113 PolarHBondContact OD1-N 2.9Å; Q113-L115 PolarHBondContact O-N 3.3Å
114C64Low67.2Low122 Ų122112.1 Ų112.182%0.82463%0.631SS**  trans-90.355168.3-68.10000110.2N112N112-C114 VanDerWaalsContact C-N 3.34Å
115L62.8Low65Low134 Ų134111.8 Ų111.870%0.70264%0.636SS**  trans-67.5138.7164.6-81.4137000107.9N112 Q113 Q117N112-L115 WeakPolarHBondContact O-CD1 3.4Å; Q113-L115 PolarHBondContact O-N 3.3Å; L115-Q117 PolarHBondContact O-N 3.44Å
116P62.9Low63.2Low113 Ų113116.5 Ų116.573%0.73466%0.661SS**  trans-50117.8168.1-20.230000107.2D118P116-D118 PolarHBondContact O-N 2.85Å
117Q61.9Low61.4Low164 Ų164117.4 Ų117.477%0.76667%0.666SS**  trans-65.8100.4159.9-68.7-171.6-11.600103.6L115 Q119L115-Q117 PolarHBondContact O-N 3.44Å; Q117-Q119 PolarHBondContact O-N 3.33Å
118D55.8Low60.1Low141 Ų141116.7 Ų116.775%0.75467%0.665SS**  trans-58.182.9167.7-122.7-18.5000105.9P116 T120P116-D118 PolarHBondContact O-N 2.85Å; D118-T120 PolarHBondContact O-N 3.04Å
119Q51.3Low58.7Low143 Ų143120.3 Ų120.367%0.66869%0.687SS**  trans-77.171.2162.2-73.7-17014.600105.1Q117 T121Q117-Q119 PolarHBondContact O-N 3.33Å; Q119-T121 HydrophobicContact CB-CG2 4.44Å; Q119-T121 PolarHBondContact O-N 2.88Å
120T48.9Very low57.7Low102 Ų102124.1 Ų124.163%0.62670%0.696SS**  trans-63.875.8145.156.20000105.4D118 D122D118-T120 PolarHBondContact O-N 3.04Å; T120-D122 VanDerWaalsContact C-N 3.35Å; T120-D122 PolarHBondContact O-N 3.35Å; T120-D122 VanDerWaalsContact O-N 3.13Å
121T44.1Very low56.1Low104 Ų104126 Ų12664%0.63872%0.715SS**  trans-68.1107.815846.40000104.7Q119 A123Q119-T121 HydrophobicContact CB-CG2 4.44Å; Q119-T121 PolarHBondContact O-N 2.88Å; T121-A123 VanDerWaalsContact C-N 3.27Å; T121-A123 PolarHBondContact O-N 3.48Å
122D45.6Very low54.9Low154 Ų154131 Ų13182%0.82474%0.743SS**  trans-4492.8167.2-63.6-49.4000109.1T120T120-D122 VanDerWaalsContact C-N 3.35Å; T120-D122 PolarHBondContact O-N 3.35Å; T120-D122 VanDerWaalsContact O-N 3.13Å
123A53.1Low53.6Low87 Ų87131.2 Ų131.272%0.71975%0.752SS**  trans-113.192165.500000104.7T121 D125T121-A123 VanDerWaalsContact C-N 3.27Å; T121-A123 PolarHBondContact O-N 3.48Å; A123-D125 VanDerWaalsContact C-N 3.35Å; A123-D125 PolarHBondContact O-N 3.18Å
124D48.1Very low52.9Low163 Ų163127.2 Ų127.287%0.87275%0.751SS**  trans-45.293.6165.7-64.8-54.6000110.2
125D47Very low52.7Low138 Ų138126 Ų12674%0.73875%0.745SS**  trans-160.3134.3155.1-139.5-6.8000114A123A123-D125 VanDerWaalsContact C-N 3.35Å; A123-D125 PolarHBondContact O-N 3.18Å
126L54.9Low52.8Low135 Ų135128.2 Ų128.271%0.70775%0.751SS**  trans77.179.5162.2-49.7176000117.6C128L126-C128 PolarHBondContact O-N 3.44Å; L126-C128 VanDerWaalsContact O-N 3.13Å
127T45.2Very low53Low132 Ų132130.8 Ų130.881%0.8175%0.754SS**  trans-57.3103.7148.662.60000109.7
128C50Low53.1Low105 Ų105130.4 Ų130.471%0.70976%0.757SS**  trans-112.586.6162.9-77.30000108.1L126 E130L126-C128 PolarHBondContact O-N 3.44Å; L126-C128 VanDerWaalsContact O-N 3.13Å; C128-E130 PolarHBondContact O-N 2.99Å
129S44.1Very low54Low99 Ų99130.1 Ų130.169%0.69275%0.754SS**  trans-89.576.3178.2-46.40000109.6
130E59Low54.7Low174 Ų174131 Ų13181%0.81376%0.763SS**  trans-101.582.3172-50.2-64.5122.600108.2C128 D132C128-E130 PolarHBondContact O-N 2.99Å; E130-D132 PolarHBondContact O-N 2.91Å
131S47.1Very low55.6Low122 Ų122134.2 Ų134.285%0.85377%0.773SS**  trans-77.1100.8165.5-730000108.9
132D55.5Low56.5Low157 Ų157142 Ų14284%0.8480%0.802SS**  trans-106.795.8164.9-165.919.8000109.4E130 G134E130-D132 PolarHBondContact O-N 2.91Å; D132-G134 PolarHBondContact O-N 3.15Å
133S53.2Low57Low116 Ų116141.4 Ų141.481%0.81180%0.801SS**  trans-89.278.4-179.9-164.60000108.3S135S133-S135 PolarHBondContact O-N 3.43Å
134G57.1Low57.2Low66 Ų66144.3 Ų144.368%0.6881%0.806SS**  trans-68.1107.7174.100000110.8D132D132-G134 PolarHBondContact O-N 3.15Å
135S58.6Low57.7Low98 Ų98143.2 Ų143.269%0.68580%0.802SS**  trans-66.6129.1176.4470000111.9S133 E137S133-S135 PolarHBondContact O-N 3.43Å; S135-E137 PolarHBondContact O-N 3.41Å
136E65.1Low58.4Low180 Ų180143.5 Ų143.584%0.84181%0.806SS**  trans-70114169.8-58.4-175.1172.800109
137E68.2Low58.6Low167 Ų167144.1 Ų144.178%0.7881%0.812SS**  trans-92.4103.2168.9-70.3-168.5176.900108.8S135 I139S135-E137 PolarHBondContact O-N 3.41Å; E137-I139 PolarHBondContact O-N 3.29Å; E137-I139 VanDerWaalsContact O-N 3.13Å
138D64Low59.5Low155 Ų155144.9 Ų144.983%0.82981%0.812SS**  trans-61.3104.6168.3-78-44.4000109.8D140D138-D140 PolarHBondContact O-N 3.15Å
139I73.8Confident60.1Low135 Ų135147.7 Ų147.769%0.69282%0.819SS**  trans-84.495.3168.5-75.8167.1000108E137 M141E137-I139 PolarHBondContact O-N 3.29Å; E137-I139 VanDerWaalsContact O-N 3.13Å; I139-M141 HydrophobicContact CG2-CE 4.31Å; I139-M141 HydrophobicContact CG2-CG 3.93Å; I139-M141 PolarHBondContact O-N 3.04Å
140D65.6Low61.4Low163 Ų163151.5 Ų151.587%0.87283%0.829SS**  trans-72.8108.4159-100.5-35.8000108D138D138-D140 PolarHBondContact O-N 3.15Å
141M69.2Low61.6Low169 Ų169149.6 Ų149.683%0.83383%0.83SS**  trans-95.7110164.4-87.6-173-72.300108.8I139I139-M141 HydrophobicContact CG2-CE 4.31Å; I139-M141 HydrophobicContact CG2-CG 3.93Å; I139-M141 PolarHBondContact O-N 3.04Å
142E61.7Low62.9Low267 Ų267152.1 Ų152.1100%1.24883%0.828SS**  trans-67.10170.5-161.4174.3-160.300112.6

Retrieved 142 of 142 residues in 33.8 ms (Link to these results)

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