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Isoform B of 14-3-3 protein epsilon AlphaSync

Canonical isoform description: Positively regulates Ras-mediated pathways. Acts downstream or parallel to Raf, but upstream of nuclear factors in Ras signaling. Three mutants have been isolated, that suppress the rough eye phenotype caused by mutated Ras1 (sev-Ras1 v12). Inhibits yki activity by restricting its nuclear localization. Together with pav, has a role in the inhibition of microtubule sliding during neurite outgrowth1.

AlphaFold DB , UniProt , Accession P92177-2 (canonical: P92177), Species DROME (Drosophila melanogaster, Fruit fly), Gene 14-3-3epsilon, Length 261 aa.

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Download Structure   AlphaSync Parameters   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M70.7Confident94.8Very high166 Ų16676.9 Ų76.982%0.81836%0.363SS*.  0128.30-70.7-173.9-69.800108.6E5 N6M1-E5 WeakPolarHBondContact CA-OE2 3.11Å; M1-E5 HydrophobicContact CB-CB 4.21Å; M1-N6 WeakPolarHBondContact CB-OD1 3.39Å; M1-N6 WeakPolarHBondContact CE-OD1 3.43Å
2T92.6Very high95.1Very high76 Ų7675.3 Ų75.347%0.46635%0.354SS..  trans-66.4166172.365.50000110.6R4 E5 N6T2-R4 PolarHBondContact O-N 3.06Å; T2-E5 PolarHBondContact N-OE2 3.28Å; T2-E5 PolarHBondContact O-N 3.18Å; T2-E5 VanDerWaalsContact OG1-CG 3.27Å; T2-E5 WeakPolarHBondContact OG1-CG 3.36Å; T2-E5 PolarHBondContact OG1-N 2.97Å; T2-N6 VanDerWaalsContact O-CG 3.28Å; T2-N6 PolarHBondContact O-N 3.24Å; T2-N6 PolarHBondContact O-ND2 2.82Å
3E94.9Very high95.3Very high133 Ų13375.6 Ų75.662%0.62136%0.359SS*.Hα-helixtrans-59.4-37.8174.9-173.9175.3-171.400112N6 N7 M33E3-N6 PolarHBondContact O-N 3.39Å; E3-N7 PolarHBondContact O-N 2.78Å; E3-N7 PolarHBondContact O-ND2 2.97Å; E3-M33 HydrophobicContact CB-CE 3.94Å; E3-M33 HydrophobicContact CG-CE 3.68Å
4R97.7Very high95.5Very high42 Ų4270.9 Ų70.916%0.15834%0.338CS..Hα-helixtrans-60.8-53.6175.6-168.4170.8175.7136.1-17.4111.2T2 N6 N7 V8 V30 M33 V35 E36 E41T2-R4 PolarHBondContact O-N 3.06Å; R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 2.61Å; R4-N7 PolarHBondContact O-N 3.2Å; R4-N7 VanDerWaalsContact O-N 3.09Å; R4-V8 WeakPolarHBondContact O-CG2 3.42Å; R4-V8 PolarHBondContact O-N 3.18Å; R4-V30 HydrophobicContact CG-CG1 4.03Å; R4-V30 HydrophobicContact CG-CG2 4.49Å; R4-M33 HydrophobicContact CB-CE 4.25Å; R4-M33 HydrophobicContact CB-SD 3.65Å; R4-M33 HydrophobicContact CG-SD 3.99Å; R4-V35 VanDerWaalsContact NH1-CB 3.32Å; R4-V35 PolarHBondContact NH1-O 3.42Å; R4-E36 PolarHBondContact NH2-O 3.41Å; R4-E41 IonicContact CZ-OE1 3.97Å; R4-E41 IonicContact CZ-OE2 3.41Å; R4-E41 IonicContact NE-OE1 3.87Å; R4-E41 PolarHBondContact NE-OE1 3.19Å; R4-E41 IonicContact NE-OE2 3.36Å; R4-E41 VanDerWaalsContact NH2-CD 3.33Å; R4-E41 IonicContact NH2-OE1 3.54Å; R4-E41 PolarHBondContact NH2-OE1 3.19Å; R4-E41 IonicContact NH2-OE2 2.85Å; R4-E41 PolarHBondContact NH2-OE2 3.45Å
5E97.5Very high95.6Very high102 Ų10270.8 Ų70.848%0.47734%0.338SS..Hα-helixtrans-57-40.4177.8-71.9165.7179.500112.1M1 T2 Y9M1-E5 WeakPolarHBondContact CA-OE2 3.11Å; M1-E5 HydrophobicContact CB-CB 4.21Å; T2-E5 PolarHBondContact N-OE2 3.28Å; T2-E5 PolarHBondContact O-N 3.18Å; T2-E5 VanDerWaalsContact OG1-CG 3.27Å; T2-E5 WeakPolarHBondContact OG1-CG 3.36Å; T2-E5 PolarHBondContact OG1-N 2.97Å; E5-Y9 VanDerWaalsContact O-CB 3.3Å; E5-Y9 WeakPolarHBondContact O-CB 3.48Å; E5-Y9 PolarHBondContact O-N 3.31Å
6N97.7Very high95.7Very high58 Ų5876.5 Ų76.531%0.3136%0.364SS..Hα-helixtrans-63.8-41.3176.9-73.2-30.7000112.3M1 T2 E3 R4 K10M1-N6 WeakPolarHBondContact CB-OD1 3.39Å; M1-N6 WeakPolarHBondContact CE-OD1 3.43Å; T2-N6 VanDerWaalsContact O-CG 3.28Å; T2-N6 PolarHBondContact O-N 3.24Å; T2-N6 PolarHBondContact O-ND2 2.82Å; E3-N6 PolarHBondContact O-N 3.39Å; R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 2.61Å; N6-K10 WeakPolarHBondContact O-CB 3.41Å; N6-K10 VanDerWaalsContact O-CG 3.26Å; N6-K10 WeakPolarHBondContact O-CG 3.25Å; N6-K10 PolarHBondContact O-N 3.44Å
7N98.3Very high95.8Very high7 Ų775.6 Ų75.64%0.03737%0.372CS..Hα-helixtrans-72.2-41.1178.7-74.6-54.9000111.6E3 R4 Y9 K10 A11 A26 K29 V30E3-N7 PolarHBondContact O-N 2.78Å; E3-N7 PolarHBondContact O-ND2 2.97Å; R4-N7 PolarHBondContact O-N 3.2Å; R4-N7 VanDerWaalsContact O-N 3.09Å; N7-Y9 VanDerWaalsContact C-N 3.34Å; N7-Y9 PolarHBondContact O-N 2.96Å; N7-K10 WeakPolarHBondContact O-CB 3Å; N7-K10 PolarHBondContact O-N 3.3Å; N7-A11 PolarHBondContact O-N 2.68Å; N7-A26 HydrophobicContact CB-CB 4.5Å; N7-K29 WeakPolarHBondContact OD1-CD 3.43Å; N7-V30 HydrophobicContact CB-CG2 3.55Å
8V98.4Very high95.9Very high13 Ų1379.5 Ų79.58%0.07939%0.389CS..Hα-helixtrans-60.3-44.7174.2174.80000111R4 K10 A11 K12 V30 E41 L44R4-V8 WeakPolarHBondContact O-CG2 3.42Å; R4-V8 PolarHBondContact O-N 3.18Å; V8-K10 PolarHBondContact O-N 2.97Å; V8-A11 WeakPolarHBondContact O-CB 3.12Å; V8-A11 PolarHBondContact O-N 2.64Å; V8-K12 WeakPolarHBondContact O-CG 3.33Å; V8-K12 PolarHBondContact O-N 3Å; V8-V30 HydrophobicContact CG2-CG1 4.4Å; V8-V30 HydrophobicContact CG2-CG2 3.9Å; V8-E41 HydrophobicContact CG1-CG 4.46Å; V8-E41 HydrophobicContact CG2-CG 3.75Å; V8-E41 WeakPolarHBondContact CG2-OE1 3.49Å; V8-L44 HydrophobicContact CG1-CD1 3.98Å
9Y98.2Very high96Very high129 Ų12982.5 Ų82.551%0.50640%0.396SS..Hα-helixtrans-63.5-39.8176.7-175.5-111.6000112.5E5 N7 K12 L13E5-Y9 VanDerWaalsContact O-CB 3.3Å; E5-Y9 WeakPolarHBondContact O-CB 3.48Å; E5-Y9 PolarHBondContact O-N 3.31Å; N7-Y9 VanDerWaalsContact C-N 3.34Å; N7-Y9 PolarHBondContact O-N 2.96Å; Y9-K12 PolarHBondContact O-N 3.47Å; Y9-L13 HydrophobicContact CD1-CD1 3.96Å; Y9-L13 HydrophobicContact CD1-CG 4.43Å; Y9-L13 HydrophobicContact CE1-CD1 3.51Å; Y9-L13 HydrophobicContact CE1-CG 4.07Å; Y9-L13 WeakPolarHBondContact O-CG 3.44Å; Y9-L13 PolarHBondContact O-N 3.13Å
10K98.2Very high96.1Very high120 Ų12081.1 Ų81.152%0.52239%0.387SS..Hα-helixtrans-62-41.6173.1-76.9173-177.1178.90112.3N6 N7 V8 K12 L13 A14 A26N6-K10 WeakPolarHBondContact O-CB 3.41Å; N6-K10 VanDerWaalsContact O-CG 3.26Å; N6-K10 WeakPolarHBondContact O-CG 3.25Å; N6-K10 PolarHBondContact O-N 3.44Å; N7-K10 WeakPolarHBondContact O-CB 3Å; N7-K10 PolarHBondContact O-N 3.3Å; V8-K10 PolarHBondContact O-N 2.97Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K10-L13 PolarHBondContact O-N 2.61Å; K10-A14 VanDerWaalsContact O-CB 3.32Å; K10-A14 WeakPolarHBondContact O-CB 3.42Å; K10-A14 PolarHBondContact O-N 3.33Å; K10-A26 HydrophobicContact CB-CB 4.29Å
11A98.5Very high96.1Very high0 Ų081.2 Ų81.20%039%0.39CS..Hα-helixtrans-60.9-43.9176.600000111.2N7 V8 L13 A14 E15 M23 A26 M27N7-A11 PolarHBondContact O-N 2.68Å; V8-A11 WeakPolarHBondContact O-CB 3.12Å; V8-A11 PolarHBondContact O-N 2.64Å; A11-L13 PolarHBondContact O-N 2.99Å; A11-A14 PolarHBondContact O-N 3.18Å; A11-E15 WeakPolarHBondContact O-CB 3.4Å; A11-E15 PolarHBondContact O-N 3.07Å; A11-M23 HydrophobicContact CB-CG 3.93Å; A11-A26 HydrophobicContact CB-CB 4.12Å; A11-M27 HydrophobicContact CB-CG 3.8Å; A11-M27 HydrophobicContact CB-SD 3.58Å; A11-M27 VanDerWaalsContact CB-SD 3.58Å
12K98.3Very high97.5Very high57 Ų5777.2 Ų77.225%0.24837%0.369CS..Hα-helixtrans-62.5-41175.1-67.8178-177.1-174.10113.1V8 Y9 K10 A14 Q16 E40 L44V8-K12 WeakPolarHBondContact O-CG 3.33Å; V8-K12 PolarHBondContact O-N 3Å; Y9-K12 PolarHBondContact O-N 3.47Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K12-A14 VanDerWaalsContact C-N 3.34Å; K12-Q16 WeakPolarHBondContact O-CG 3.39Å; K12-Q16 PolarHBondContact O-N 3.38Å; K12-E40 VanDerWaalsContact CE-CD 3.44Å; K12-E40 WeakPolarHBondContact CE-OE1 3.44Å; K12-E40 IonicContact NZ-OE1 3.16Å; K12-E40 PolarHBondContact NZ-OE1 3.11Å; K12-E40 IonicContact NZ-OE2 3.02Å; K12-E40 PolarHBondContact NZ-OE2 2.75Å; K12-L44 HydrophobicContact CG-CD1 4Å; K12-L44 HydrophobicContact CG-CD2 4.13Å
13L98.2Very high97.7Very high80 Ų8073.6 Ų73.642%0.41935%0.347SS..Hα-helixtrans-66-38.4174.4-71.3177.8000111.9Y9 K10 A11 A17Y9-L13 HydrophobicContact CD1-CD1 3.96Å; Y9-L13 HydrophobicContact CD1-CG 4.43Å; Y9-L13 HydrophobicContact CE1-CD1 3.51Å; Y9-L13 HydrophobicContact CE1-CG 4.07Å; Y9-L13 WeakPolarHBondContact O-CG 3.44Å; Y9-L13 PolarHBondContact O-N 3.13Å; K10-L13 PolarHBondContact O-N 2.61Å; A11-L13 PolarHBondContact O-N 2.99Å; L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 2.92Å
14A98.3Very high97.9Very high9 Ų967.7 Ų67.77%0.07432%0.32CS..Hα-helixtrans-68.1-41.6178.100000111.4K10 A11 K12 A17 E18 R19 E22 M23K10-A14 VanDerWaalsContact O-CB 3.32Å; K10-A14 WeakPolarHBondContact O-CB 3.42Å; K10-A14 PolarHBondContact O-N 3.33Å; A11-A14 PolarHBondContact O-N 3.18Å; K12-A14 VanDerWaalsContact C-N 3.34Å; A14-A17 CarbonylContact O-C 3.35Å; A14-A17 WeakPolarHBondContact O-CA 3.42Å; A14-A17 PolarHBondContact O-N 3.29Å; A14-A17 VanDerWaalsContact O-N 3.08Å; A14-E18 PolarHBondContact O-N 3.3Å; A14-R19 HydrophobicContact CB-CB 4.1Å; A14-R19 WeakPolarHBondContact CB-O 3.35Å; A14-R19 PolarHBondContact O-N 3.36Å; A14-E22 HydrophobicContact CB-CB 4.15Å; A14-M23 HydrophobicContact CB-CB 4.12Å
15E97.2Very high97.9Very high70 Ų7070.2 Ų70.233%0.32733%0.333SS..Hα-helixtrans-56-50.6173.3-178.6-178.5-149.100111.7A11 A17 E18 M23 L44A11-E15 WeakPolarHBondContact O-CB 3.4Å; A11-E15 PolarHBondContact O-N 3.07Å; E15-A17 PolarHBondContact O-N 3.04Å; E15-A17 VanDerWaalsContact O-N 3.11Å; E15-E18 PolarHBondContact O-N 2.72Å; E15-M23 HydrophobicContact CB-CE 3.97Å; E15-M23 HydrophobicContact CB-SD 4.05Å; E15-M23 HydrophobicContact CG-CE 4.23Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.4Å
16Q96.9Very high98Very high162 Ų16265.6 Ų65.676%0.75731%0.313SS*.Hα-helixtrans-62-20.9177.1-70.1177.82500113.8K12K12-Q16 WeakPolarHBondContact O-CG 3.39Å; K12-Q16 PolarHBondContact O-N 3.38Å
17A97.5Very high98Very high61 Ų6162.9 Ų62.950%0.50430%0.298SS..THydrogen-bonded Turntrans-102.17.3177.300000112.9L13 A14 E15 R19L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 2.92Å; A14-A17 CarbonylContact O-C 3.35Å; A14-A17 WeakPolarHBondContact O-CA 3.42Å; A14-A17 PolarHBondContact O-N 3.29Å; A14-A17 VanDerWaalsContact O-N 3.08Å; E15-A17 PolarHBondContact O-N 3.04Å; E15-A17 VanDerWaalsContact O-N 3.11Å; A17-R19 HydrophobicContact CB-CB 4.48Å; A17-R19 HydrophobicContact CB-CG 4.09Å; A17-R19 PolarHBondContact O-N 3.32Å; A17-R19 VanDerWaalsContact O-N 3.17Å
18E96.6Very high98Very high146 Ų14664.7 Ų64.768%0.68231%0.306SS*.THydrogen-bonded Turntrans53.631.6-176-57.5-178.2156.300113.4A14 E15 Y20A14-E18 PolarHBondContact O-N 3.3Å; E15-E18 PolarHBondContact O-N 2.72Å; E18-Y20 HydrophobicContact CB-CE2 3.99Å; E18-Y20 WeakPolarHBondContact O-CD2 3.27Å; E18-Y20 PolarHBondContact O-N 3.17Å
19R97.9Very high98Very high137 Ų13768.8 Ų68.852%0.51732%0.322SS..  trans-96.264.9-178.4-77.1-162.974.4164.69.8111.1A14 A17 D21 E22 M23A14-R19 HydrophobicContact CB-CB 4.1Å; A14-R19 WeakPolarHBondContact CB-O 3.35Å; A14-R19 PolarHBondContact O-N 3.36Å; A17-R19 HydrophobicContact CB-CB 4.48Å; A17-R19 HydrophobicContact CB-CG 4.09Å; A17-R19 PolarHBondContact O-N 3.32Å; A17-R19 VanDerWaalsContact O-N 3.17Å; R19-D21 VanDerWaalsContact C-N 3.32Å; R19-D21 PolarHBondContact O-N 2.84Å; R19-E22 HydrophobicContact CB-CB 4.45Å; R19-E22 VanDerWaalsContact CB-OE2 3.29Å; R19-E22 WeakPolarHBondContact CB-OE2 3.31Å; R19-E22 IonicContact CZ-OE1 2.82Å; R19-E22 IonicContact CZ-OE2 3.54Å; R19-E22 IonicContact NE-OE1 3.56Å; R19-E22 IonicContact NE-OE2 2.82Å; R19-E22 PolarHBondContact NE-OE2 3.45Å; R19-E22 IonicContact NH2-OE1 3.1Å; R19-E22 PolarHBondContact NH2-OE1 2.69Å; R19-E22 IonicContact NH2-OE2 2.71Å; R19-E22 PolarHBondContact O-N 3.31Å; R19-M23 PolarHBondContact O-N 3.35Å; R19-M23 VanDerWaalsContact O-N 3.08Å
20Y97.9Very high98Very high53 Ų5362.6 Ų62.621%0.20830%0.298CS..Hα-helixtrans-66.7-29.1-170.2-56.4-68.8000114.2E18 M23 V24 V47 N51E18-Y20 HydrophobicContact CB-CE2 3.99Å; E18-Y20 WeakPolarHBondContact O-CD2 3.27Å; E18-Y20 PolarHBondContact O-N 3.17Å; Y20-M23 HydrophobicContact CD1-SD 4.08Å; Y20-M23 WeakPolarHBondContact O-CB 3.24Å; Y20-M23 PolarHBondContact O-N 2.95Å; Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 2.78Å; Y20-V47 HydrophobicContact CE1-CG1 4.25Å; Y20-N51 HydrophobicContact CD1-CB 3.57Å; Y20-N51 HydrophobicContact CD2-CB 3.39Å; Y20-N51 HydrophobicContact CE1-CB 3.79Å; Y20-N51 VanDerWaalsContact CE1-CG 3.46Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.02Å; Y20-N51 HydrophobicContact CE2-CB 3.6Å; Y20-N51 HydrophobicContact CG-CB 3.35Å; Y20-N51 PolarHBondContact OH-OD1 2.88Å
21D97.8Very high98Very high84 Ų8457 Ų5745%0.44927%0.274SS..Hα-helixtrans-63.2-43173.7-66.7-54.8000111.2R19 M23 V24 E25R19-D21 VanDerWaalsContact C-N 3.32Å; R19-D21 PolarHBondContact O-N 2.84Å; D21-M23 VanDerWaalsContact C-N 3.31Å; D21-M23 PolarHBondContact O-N 2.75Å; D21-V24 PolarHBondContact O-N 2.96Å; D21-E25 PolarHBondContact O-N 3.31Å; D21-E25 VanDerWaalsContact O-N 3.11Å
22E98.2Very high98Very high82 Ų8259.8 Ų59.838%0.38329%0.294SS..Hα-helixtrans-68.1-32.3173.7-72.875-164.900112.8A14 R19 E25 A26A14-E22 HydrophobicContact CB-CB 4.15Å; R19-E22 HydrophobicContact CB-CB 4.45Å; R19-E22 VanDerWaalsContact CB-OE2 3.29Å; R19-E22 WeakPolarHBondContact CB-OE2 3.31Å; R19-E22 IonicContact CZ-OE1 2.82Å; R19-E22 IonicContact CZ-OE2 3.54Å; R19-E22 IonicContact NE-OE1 3.56Å; R19-E22 IonicContact NE-OE2 2.82Å; R19-E22 PolarHBondContact NE-OE2 3.45Å; R19-E22 IonicContact NH2-OE1 3.1Å; R19-E22 PolarHBondContact NH2-OE1 2.69Å; R19-E22 IonicContact NH2-OE2 2.71Å; R19-E22 PolarHBondContact O-N 3.31Å; E22-E25 PolarHBondContact O-N 3.35Å; E22-A26 WeakPolarHBondContact O-CB 3.46Å; E22-A26 PolarHBondContact O-N 3.03Å
23M98.1Very high98Very high0 Ų059.8 Ų59.80%030%0.296CS..Hα-helixtrans-64.2-44.3174.8-161.7-172.3179.400110.8A11 A14 E15 R19 Y20 D21 A26 M27 L44 V47 A48A11-M23 HydrophobicContact CB-CG 3.93Å; A14-M23 HydrophobicContact CB-CB 4.12Å; E15-M23 HydrophobicContact CB-CE 3.97Å; E15-M23 HydrophobicContact CB-SD 4.05Å; E15-M23 HydrophobicContact CG-CE 4.23Å; R19-M23 PolarHBondContact O-N 3.35Å; R19-M23 VanDerWaalsContact O-N 3.08Å; Y20-M23 HydrophobicContact CD1-SD 4.08Å; Y20-M23 WeakPolarHBondContact O-CB 3.24Å; Y20-M23 PolarHBondContact O-N 2.95Å; D21-M23 VanDerWaalsContact C-N 3.31Å; D21-M23 PolarHBondContact O-N 2.75Å; M23-A26 PolarHBondContact O-N 3.17Å; M23-M27 WeakPolarHBondContact O-CB 3.45Å; M23-M27 WeakPolarHBondContact O-CG 3.3Å; M23-M27 PolarHBondContact O-N 3.11Å; M23-L44 HydrophobicContact CE-CB 3.78Å; M23-L44 HydrophobicContact CE-CD2 3.37Å; M23-L44 HydrophobicContact CE-CG 4.19Å; M23-L44 WeakPolarHBondContact CE-O 3.38Å; M23-V47 HydrophobicContact CE-CB 4.1Å; M23-V47 HydrophobicContact CE-CG1 4.05Å; M23-V47 HydrophobicContact SD-CG1 4.26Å; M23-A48 HydrophobicContact CB-CB 3.76Å; M23-A48 HydrophobicContact CE-CB 4.35Å; M23-A48 HydrophobicContact CG-CB 3.59Å; M23-A48 HydrophobicContact SD-CB 3.56Å; M23-A48 VanDerWaalsContact SD-CB 3.56Å
24V98.5Very high97.9Very high10 Ų1060.2 Ų60.26%0.06130%0.298CS..Hα-helixtrans-57.1-50.7173165.40000110.3Y20 D21 A26 M27 K28 A48 Y49 V52Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 2.78Å; D21-V24 PolarHBondContact O-N 2.96Å; V24-A26 VanDerWaalsContact C-N 3.33Å; V24-A26 PolarHBondContact O-N 2.84Å; V24-M27 PolarHBondContact O-N 3.49Å; V24-K28 HydrophobicContact CG1-CD 3.54Å; V24-K28 HydrophobicContact CG1-CG 4.22Å; V24-K28 WeakPolarHBondContact O-CB 3.42Å; V24-K28 WeakPolarHBondContact O-CD 3.37Å; V24-K28 WeakPolarHBondContact O-CG 3.43Å; V24-K28 PolarHBondContact O-N 3.01Å; V24-A48 HydrophobicContact CG2-CB 3.72Å; V24-Y49 HydrophobicContact CB-CE2 4.48Å; V24-Y49 HydrophobicContact CG1-CD1 4.49Å; V24-Y49 HydrophobicContact CG1-CE1 3.8Å; V24-Y49 HydrophobicContact CG1-CE2 3.86Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.48Å; V24-Y49 HydrophobicContact CG2-CD1 4.05Å; V24-Y49 HydrophobicContact CG2-CD2 4Å; V24-Y49 HydrophobicContact CG2-CE1 4.19Å; V24-Y49 HydrophobicContact CG2-CE2 4.16Å; V24-Y49 HydrophobicContact CG2-CG 3.97Å; V24-V52 HydrophobicContact CG2-CG2 4.1Å
25E98.4Very high97.8Very high94 Ų9464 Ų6444%0.43932%0.32SS..Hα-helixtrans-63.7-35.3-178.7-72.6-58.8123.700113.6D21 E22 K28 K29D21-E25 PolarHBondContact O-N 3.31Å; D21-E25 VanDerWaalsContact O-N 3.11Å; E22-E25 PolarHBondContact O-N 3.35Å; E25-K28 IonicContact OE1-NZ 2.87Å; E25-K28 PolarHBondContact OE1-NZ 2.92Å; E25-K29 WeakPolarHBondContact O-CG 3.39Å
26A98.5Very high97.8Very high6 Ų663.5 Ų63.55%0.0532%0.318CS..Hα-helixtrans-69.6-46.7173.900000111.6N7 K10 A11 E22 M23 V24 K28 K29 V30N7-A26 HydrophobicContact CB-CB 4.5Å; K10-A26 HydrophobicContact CB-CB 4.29Å; A11-A26 HydrophobicContact CB-CB 4.12Å; E22-A26 WeakPolarHBondContact O-CB 3.46Å; E22-A26 PolarHBondContact O-N 3.03Å; M23-A26 PolarHBondContact O-N 3.17Å; V24-A26 VanDerWaalsContact C-N 3.33Å; V24-A26 PolarHBondContact O-N 2.84Å; A26-K28 PolarHBondContact O-N 3.22Å; A26-K29 WeakPolarHBondContact O-CB 3.43Å; A26-K29 PolarHBondContact O-N 3.4Å; A26-V30 PolarHBondContact O-N 3.21Å
27M98.5Very high97.9Very high0 Ų056.2 Ų56.20%028%0.284CS..Hα-helixtrans-72.9-28.4-176.2-68.4-51.7-53.300113.2A11 M23 V24 K29 V30 A31 E41 L44 L45A11-M27 HydrophobicContact CB-CG 3.8Å; A11-M27 HydrophobicContact CB-SD 3.58Å; A11-M27 VanDerWaalsContact CB-SD 3.58Å; M23-M27 WeakPolarHBondContact O-CB 3.45Å; M23-M27 WeakPolarHBondContact O-CG 3.3Å; M23-M27 PolarHBondContact O-N 3.11Å; V24-M27 PolarHBondContact O-N 3.49Å; M27-K29 VanDerWaalsContact C-N 3.3Å; M27-K29 PolarHBondContact O-N 3.45Å; M27-V30 HydrophobicContact CE-CB 4.09Å; M27-V30 HydrophobicContact CE-CG1 4.18Å; M27-V30 HydrophobicContact CE-CG2 4.34Å; M27-V30 WeakPolarHBondContact O-CB 3.32Å; M27-V30 PolarHBondContact O-N 2.92Å; M27-V30 HydrophobicContact SD-CG2 4.32Å; M27-A31 WeakPolarHBondContact O-CB 3.45Å; M27-A31 PolarHBondContact O-N 3.46Å; M27-E41 HydrophobicContact CE-CB 4.01Å; M27-E41 WeakPolarHBondContact CE-O 3.2Å; M27-L44 HydrophobicContact CE-CB 4.23Å; M27-L44 HydrophobicContact CG-CB 4.24Å; M27-L44 HydrophobicContact SD-CB 3.94Å; M27-L44 HydrophobicContact SD-CD1 4.36Å; M27-L45 HydrophobicContact CB-CB 4.18Å; M27-L45 HydrophobicContact CB-CD1 3.59Å; M27-L45 HydrophobicContact CE-CB 4.27Å
28K98.3Very high97.9Very high46 Ų4656.8 Ų56.820%0.228%0.281CS..Hα-helixtrans-59.5-40.7169-75.7165.673.5172.50112.2V24 E25 A26 V30 A31 S32 Y49 D99 V103V24-K28 HydrophobicContact CG1-CD 3.54Å; V24-K28 HydrophobicContact CG1-CG 4.22Å; V24-K28 WeakPolarHBondContact O-CB 3.42Å; V24-K28 WeakPolarHBondContact O-CD 3.37Å; V24-K28 WeakPolarHBondContact O-CG 3.43Å; V24-K28 PolarHBondContact O-N 3.01Å; E25-K28 IonicContact OE1-NZ 2.87Å; E25-K28 PolarHBondContact OE1-NZ 2.92Å; A26-K28 PolarHBondContact O-N 3.22Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 2.99Å; K28-A31 PolarHBondContact O-N 3.21Å; K28-S32 WeakPolarHBondContact O-CB 3.49Å; K28-S32 PolarHBondContact O-N 2.88Å; K28-S32 PolarHBondContact O-OG 3.23Å; K28-Y49 VanDerWaalsContact CD-OH 3.31Å; K28-Y49 WeakPolarHBondContact CD-OH 3.49Å; K28-Y49 HydrophobicContact CG-CE2 4.47Å; K28-Y49 WeakPolarHBondContact CG-OH 3.35Å; K28-D99 WeakPolarHBondContact CD-OD2 3.2Å; K28-D99 WeakPolarHBondContact CE-OD1 3.27Å; K28-D99 VanDerWaalsContact CE-OD2 3.32Å; K28-D99 WeakPolarHBondContact CE-OD2 3.41Å; K28-D99 IonicContact NZ-OD1 3.35Å; K28-D99 PolarHBondContact NZ-OD1 3.29Å; K28-D99 IonicContact NZ-OD2 3.26Å; K28-D99 PolarHBondContact NZ-OD2 3.26Å; K28-V103 HydrophobicContact CG-CG2 4.06Å
29K98.3Very high97.8Very high98 Ų9853.9 Ų53.943%0.42627%0.273SS..Hα-helixtrans-65.9-35.6176.5-67.5170.9-174.4172.50112N7 E25 A26 M27 S32 M33N7-K29 WeakPolarHBondContact OD1-CD 3.43Å; E25-K29 WeakPolarHBondContact O-CG 3.39Å; A26-K29 WeakPolarHBondContact O-CB 3.43Å; A26-K29 PolarHBondContact O-N 3.4Å; M27-K29 VanDerWaalsContact C-N 3.3Å; M27-K29 PolarHBondContact O-N 3.45Å; K29-S32 WeakPolarHBondContact CA-OG 3.38Å; K29-S32 PolarHBondContact O-OG 3.13Å; K29-M33 WeakPolarHBondContact O-CG 3.5Å
30V98.5Very high97.7Very high0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-67.5-46.7174.2177.60000110.3R4 N7 V8 A26 M27 K28 S32 M33 L37R4-V30 HydrophobicContact CG-CG1 4.03Å; R4-V30 HydrophobicContact CG-CG2 4.49Å; N7-V30 HydrophobicContact CB-CG2 3.55Å; V8-V30 HydrophobicContact CG2-CG1 4.4Å; V8-V30 HydrophobicContact CG2-CG2 3.9Å; A26-V30 PolarHBondContact O-N 3.21Å; M27-V30 HydrophobicContact CE-CB 4.09Å; M27-V30 HydrophobicContact CE-CG1 4.18Å; M27-V30 HydrophobicContact CE-CG2 4.34Å; M27-V30 WeakPolarHBondContact O-CB 3.32Å; M27-V30 PolarHBondContact O-N 2.92Å; M27-V30 HydrophobicContact SD-CG2 4.32Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 2.99Å; V30-S32 PolarHBondContact O-N 3.04Å; V30-M33 WeakPolarHBondContact O-CB 3.26Å; V30-M33 PolarHBondContact O-N 3.36Å; V30-L37 HydrophobicContact CG1-CD2 3.63Å
31A98.2Very high97.7Very high2 Ų250.5 Ų50.52%0.01727%0.265CS..Hα-helixtrans-60.7-42.5177.700000112M27 K28 M33 D34 V103 H107 L108M27-A31 WeakPolarHBondContact O-CB 3.45Å; M27-A31 PolarHBondContact O-N 3.46Å; K28-A31 PolarHBondContact O-N 3.21Å; A31-M33 PolarHBondContact O-N 3.09Å; A31-D34 PolarHBondContact O-N 3.28Å; A31-V103 HydrophobicContact CB-CG1 3.65Å; A31-H107 WeakPolarHBondContact O-CB 3.49Å; A31-L108 HydrophobicContact CB-CD2 3.75Å; A31-L108 HydrophobicContact CB-CG 4.25Å
32S97.6Very high97.7Very high59 Ų5946.9 Ų46.941%0.41325%0.245SC..THydrogen-bonded Turntrans-69.10.3-179.766.20000115K28 K29 V30K28-S32 WeakPolarHBondContact O-CB 3.49Å; K28-S32 PolarHBondContact O-N 2.88Å; K28-S32 PolarHBondContact O-OG 3.23Å; K29-S32 WeakPolarHBondContact CA-OG 3.38Å; K29-S32 PolarHBondContact O-OG 3.13Å; V30-S32 PolarHBondContact O-N 3.04Å
33M97.8Very high97.5Very high57 Ų5744.8 Ų44.828%0.28124%0.237SC..THydrogen-bonded Turntrans-81.6-2.3172.2-65.6176.5-178.500112.7E3 R4 K29 V30 A31 V35E3-M33 HydrophobicContact CB-CE 3.94Å; E3-M33 HydrophobicContact CG-CE 3.68Å; R4-M33 HydrophobicContact CB-CE 4.25Å; R4-M33 HydrophobicContact CB-SD 3.65Å; R4-M33 HydrophobicContact CG-SD 3.99Å; K29-M33 WeakPolarHBondContact O-CG 3.5Å; V30-M33 WeakPolarHBondContact O-CB 3.26Å; V30-M33 PolarHBondContact O-N 3.36Å; A31-M33 PolarHBondContact O-N 3.09Å; M33-V35 PolarHBondContact O-N 3.45Å; M33-V35 VanDerWaalsContact O-N 3.13Å
34D97.3Very high97.5Very high89 Ų8945.2 Ų45.248%0.47624%0.239SC..  trans53.934.1177.2-61.2-41.7000113.5A31 H107 C111A31-D34 PolarHBondContact O-N 3.28Å; D34-H107 IonicContact OD1-CE1 3.35Å; D34-H107 IonicContact OD1-CG 3.48Å; D34-H107 IonicContact OD1-ND1 3.79Å; D34-H107 PolarHBondContact OD1-ND1 3.22Å; D34-H107 IonicContact OD2-ND1 2.75Å; D34-C111 PolarHBondContact O-SG 2.63Å
35V96.4Very high97.5Very high87 Ų8744.8 Ų44.853%0.52724%0.236SC..SBendtrans-123.1129175.5171.50000107.9R4 M33 L37R4-V35 VanDerWaalsContact NH1-CB 3.32Å; R4-V35 PolarHBondContact NH1-O 3.42Å; M33-V35 PolarHBondContact O-N 3.45Å; M33-V35 VanDerWaalsContact O-N 3.13Å; V35-L37 PolarHBondContact O-N 2.93Å
36E97.1Very high97.4Very high60 Ų6041.8 Ų41.828%0.2823%0.226SC..  trans-45.1132.1-178.1-171.8163.9-154.300111.7R4 T113 S117R4-E36 PolarHBondContact NH2-O 3.41Å; E36-T113 VanDerWaalsContact CD-OG1 3.31Å; E36-T113 PolarHBondContact OE1-N 2.91Å; E36-T113 PolarHBondContact OE1-OG1 3.2Å; E36-T113 WeakPolarHBondContact OE2-CB 3.45Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.46Å; E36-T113 PolarHBondContact OE2-OG1 3.49Å; E36-S117 PolarHBondContact OE1-OG 3.47Å
37L98.1Very high97.3Very high9 Ų943.5 Ų43.55%0.04724%0.236CC..  trans-73.5138.9177-58.5-171000109.8V30 V35 E41 R42 L45 L108V30-L37 HydrophobicContact CG1-CD2 3.63Å; V35-L37 PolarHBondContact O-N 2.93Å; L37-E41 HydrophobicContact CB-CB 4Å; L37-E41 HydrophobicContact CD2-CB 4.25Å; L37-E41 HydrophobicContact CG-CB 4.5Å; L37-R42 HydrophobicContact CB-CB 4.23Å; L37-L45 HydrophobicContact CD1-CD2 4.17Å; L37-L108 HydrophobicContact CD1-CD2 3.6Å; L37-L108 HydrophobicContact CD2-CD2 4.45Å; L37-L108 HydrophobicContact CG-CD2 3.77Å
38T97.3Very high97.3Very high74 Ų7443.5 Ų43.545%0.45424%0.236SC..  trans-64.7163.4163.160.80000110.3E40 E41 R42T38-E40 VanDerWaalsContact C-N 3.25Å; T38-E40 PolarHBondContact O-N 3.07Å; T38-E41 WeakPolarHBondContact CB-OE2 3.33Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.23Å; T38-E41 PolarHBondContact N-OE2 2.97Å; T38-E41 PolarHBondContact O-N 2.72Å; T38-E41 WeakPolarHBondContact OG1-CB 3.45Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.24Å; T38-E41 WeakPolarHBondContact OG1-CG 3.27Å; T38-E41 PolarHBondContact OG1-N 3.14Å; T38-E41 PolarHBondContact OG1-OE2 3.49Å; T38-R42 WeakPolarHBondContact O-CB 3.49Å; T38-R42 PolarHBondContact O-N 3.19Å
39V94.8Very high97.3Very high84 Ų8441.4 Ų41.451%0.50923%0.226SC..Hα-helixtrans-53.8-44.3175.4172.60000111.3R42 N43V39-R42 PolarHBondContact O-N 3.39Å; V39-N43 WeakPolarHBondContact O-CB 3.4Å; V39-N43 PolarHBondContact O-N 3.07Å; V39-N43 PolarHBondContact O-OD1 2.95Å
40E96Very high97.1Very high105 Ų10538.4 Ų38.449%0.49121%0.213SC..Hα-helixtrans-62.1-47.1177.9-174.1179.4-142.300111.8K12 T38 N43 L44K12-E40 VanDerWaalsContact CE-CD 3.44Å; K12-E40 WeakPolarHBondContact CE-OE1 3.44Å; K12-E40 IonicContact NZ-OE1 3.16Å; K12-E40 PolarHBondContact NZ-OE1 3.11Å; K12-E40 IonicContact NZ-OE2 3.02Å; K12-E40 PolarHBondContact NZ-OE2 2.75Å; T38-E40 VanDerWaalsContact C-N 3.25Å; T38-E40 PolarHBondContact O-N 3.07Å; E40-N43 PolarHBondContact O-N 2.92Å; E40-L44 HydrophobicContact CG-CD1 4.35Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.28Å; E40-L44 PolarHBondContact O-N 2.8Å
41E97.9Very high97Very high14 Ų1441.1 Ų41.17%0.06523%0.228CC..Hα-helixtrans-66-40.4179.6-70.9164.4142.800112.4R4 V8 M27 L37 T38 N43 L44 L45R4-E41 IonicContact CZ-OE1 3.97Å; R4-E41 IonicContact CZ-OE2 3.41Å; R4-E41 IonicContact NE-OE1 3.87Å; R4-E41 PolarHBondContact NE-OE1 3.19Å; R4-E41 IonicContact NE-OE2 3.36Å; R4-E41 VanDerWaalsContact NH2-CD 3.33Å; R4-E41 IonicContact NH2-OE1 3.54Å; R4-E41 PolarHBondContact NH2-OE1 3.19Å; R4-E41 IonicContact NH2-OE2 2.85Å; R4-E41 PolarHBondContact NH2-OE2 3.45Å; V8-E41 HydrophobicContact CG1-CG 4.46Å; V8-E41 HydrophobicContact CG2-CG 3.75Å; V8-E41 WeakPolarHBondContact CG2-OE1 3.49Å; M27-E41 HydrophobicContact CE-CB 4.01Å; M27-E41 WeakPolarHBondContact CE-O 3.2Å; L37-E41 HydrophobicContact CB-CB 4Å; L37-E41 HydrophobicContact CD2-CB 4.25Å; L37-E41 HydrophobicContact CG-CB 4.5Å; T38-E41 WeakPolarHBondContact CB-OE2 3.33Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.23Å; T38-E41 PolarHBondContact N-OE2 2.97Å; T38-E41 PolarHBondContact O-N 2.72Å; T38-E41 WeakPolarHBondContact OG1-CB 3.45Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.24Å; T38-E41 WeakPolarHBondContact OG1-CG 3.27Å; T38-E41 PolarHBondContact OG1-N 3.14Å; T38-E41 PolarHBondContact OG1-OE2 3.49Å; E41-N43 VanDerWaalsContact C-N 3.33Å; E41-L44 PolarHBondContact O-N 3.29Å; E41-L45 PolarHBondContact O-N 3Å
42R97.4Very high96.9Very high9 Ų941.4 Ų41.43%0.03423%0.229CC..Hα-helixtrans-60.8-44.6174.8-179.7-163.872.2-162.11.6110.9L37 T38 V39 L45 S46 E116 F120 Y121L37-R42 HydrophobicContact CB-CB 4.23Å; T38-R42 WeakPolarHBondContact O-CB 3.49Å; T38-R42 PolarHBondContact O-N 3.19Å; V39-R42 PolarHBondContact O-N 3.39Å; R42-L45 PolarHBondContact O-N 3.4Å; R42-S46 PolarHBondContact O-N 3.05Å; R42-E116 IonicContact CZ-OE1 3.91Å; R42-E116 IonicContact NH1-OE1 3.76Å; R42-E116 PolarHBondContact NH1-OE1 3.07Å; R42-E116 IonicContact NH2-OE1 3.98Å; R42-E116 PolarHBondContact NH2-OE1 3.43Å; R42-F120 HydrophobicContact CG-CD1 3.6Å; R42-F120 HydrophobicContact CG-CD2 4.49Å; R42-F120 HydrophobicContact CG-CE1 3.42Å; R42-F120 VanDerWaalsContact CG-CE1 3.42Å; R42-F120 HydrophobicContact CG-CE2 4.34Å; R42-F120 HydrophobicContact CG-CG 4.14Å; R42-F120 HydrophobicContact CG-CZ 3.82Å; R42-Y121 HydrophobicContact CG-CE1 3.95Å
43N95.3Very high96.9Very high38 Ų3838.6 Ų38.620%0.20321%0.21CC..Hα-helixtrans-66.7-41.2179.3-7211.6000111.1V39 E40 E41 L45 S46 V47 S261V39-N43 WeakPolarHBondContact O-CB 3.4Å; V39-N43 PolarHBondContact O-N 3.07Å; V39-N43 PolarHBondContact O-OD1 2.95Å; E40-N43 PolarHBondContact O-N 2.92Å; E41-N43 VanDerWaalsContact C-N 3.33Å; N43-L45 PolarHBondContact O-N 3.42Å; N43-S46 WeakPolarHBondContact O-CB 3.48Å; N43-S46 PolarHBondContact O-N 2.91Å; N43-V47 WeakPolarHBondContact O-CG2 3.29Å; N43-V47 PolarHBondContact O-N 2.79Å; N43-S261 PolarHBondContact ND2-OXT 3.44Å
44L97.9Very high96.8Very high9 Ų937.3 Ų37.35%0.04721%0.211CC..Hα-helixtrans-57.9-47.2172.6-72.7169.7000111.9V8 K12 E15 M23 M27 E40 E41 S46 V47 A48V8-L44 HydrophobicContact CG1-CD1 3.98Å; K12-L44 HydrophobicContact CG-CD1 4Å; K12-L44 HydrophobicContact CG-CD2 4.13Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.4Å; M23-L44 HydrophobicContact CE-CB 3.78Å; M23-L44 HydrophobicContact CE-CD2 3.37Å; M23-L44 HydrophobicContact CE-CG 4.19Å; M23-L44 WeakPolarHBondContact CE-O 3.38Å; M27-L44 HydrophobicContact CE-CB 4.23Å; M27-L44 HydrophobicContact CG-CB 4.24Å; M27-L44 HydrophobicContact SD-CB 3.94Å; M27-L44 HydrophobicContact SD-CD1 4.36Å; E40-L44 HydrophobicContact CG-CD1 4.35Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.28Å; E40-L44 PolarHBondContact O-N 2.8Å; E41-L44 PolarHBondContact O-N 3.29Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.23Å; L44-V47 PolarHBondContact O-N 3.49Å; L44-A48 WeakPolarHBondContact O-CB 3.18Å; L44-A48 PolarHBondContact O-N 3.5Å
45L98.1Very high96.7Very high0 Ų035.5 Ų35.50%021%0.208CC..Hα-helixtrans-58.8-43.7176.4179.778.1000111.5M27 L37 E41 R42 N43 A48 Y49 I100 L108M27-L45 HydrophobicContact CB-CB 4.18Å; M27-L45 HydrophobicContact CB-CD1 3.59Å; M27-L45 HydrophobicContact CE-CB 4.27Å; L37-L45 HydrophobicContact CD1-CD2 4.17Å; E41-L45 PolarHBondContact O-N 3Å; R42-L45 PolarHBondContact O-N 3.4Å; N43-L45 PolarHBondContact O-N 3.42Å; L45-A48 WeakPolarHBondContact O-CB 3.42Å; L45-A48 PolarHBondContact O-N 3.44Å; L45-Y49 HydrophobicContact CD1-CD2 3.85Å; L45-Y49 HydrophobicContact CD1-CE2 3.69Å; L45-Y49 HydrophobicContact CG-CD2 4.21Å; L45-Y49 HydrophobicContact CG-CE2 4.47Å; L45-Y49 PolarHBondContact O-N 2.98Å; L45-I100 HydrophobicContact CD2-CD1 4.45Å; L45-L108 HydrophobicContact CD2-CD1 3.29Å
46S96.7Very high96.7Very high31 Ų3134.5 Ų34.522%0.21720%0.195CC..Hα-helixtrans-64-50179.8-174.80000112R42 N43 L44 A48 Y49 K50R42-S46 PolarHBondContact O-N 3.05Å; N43-S46 WeakPolarHBondContact O-CB 3.48Å; N43-S46 PolarHBondContact O-N 2.91Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.23Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.99Å; S46-Y49 PolarHBondContact O-N 3.37Å; S46-K50 WeakPolarHBondContact O-CB 3.35Å; S46-K50 PolarHBondContact O-N 3.18Å
47V96.2Very high96.7Very high43 Ų4331.8 Ų31.826%0.26118%0.182SC..Hα-helixtrans-56.8-42.7176.6168.60000111.2Y20 M23 N43 L44 N51Y20-V47 HydrophobicContact CE1-CG1 4.25Å; M23-V47 HydrophobicContact CE-CB 4.1Å; M23-V47 HydrophobicContact CE-CG1 4.05Å; M23-V47 HydrophobicContact SD-CG1 4.26Å; N43-V47 WeakPolarHBondContact O-CG2 3.29Å; N43-V47 PolarHBondContact O-N 2.79Å; L44-V47 PolarHBondContact O-N 3.49Å; V47-N51 PolarHBondContact O-N 3.46Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 3.28Å
48A97.7Very high96.5Very high0 Ų033.5 Ų33.50%020%0.198CC..Hα-helixtrans-57.5-57.7178.200000111.7M23 V24 L44 L45 S46 N51 V52M23-A48 HydrophobicContact CB-CB 3.76Å; M23-A48 HydrophobicContact CE-CB 4.35Å; M23-A48 HydrophobicContact CG-CB 3.59Å; M23-A48 HydrophobicContact SD-CB 3.56Å; M23-A48 VanDerWaalsContact SD-CB 3.56Å; V24-A48 HydrophobicContact CG2-CB 3.72Å; L44-A48 WeakPolarHBondContact O-CB 3.18Å; L44-A48 PolarHBondContact O-N 3.5Å; L45-A48 WeakPolarHBondContact O-CB 3.42Å; L45-A48 PolarHBondContact O-N 3.44Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.99Å; A48-N51 PolarHBondContact O-N 2.97Å; A48-V52 WeakPolarHBondContact O-CG2 3.35Å; A48-V52 PolarHBondContact O-N 2.62Å
49Y98Very high96.5Very high2 Ų232.5 Ų32.51%0.00819%0.194CC..Hα-helixtrans-71.2-32.8-176.7-86.6-77.4000113.1V24 K28 L45 S46 I53 I96 D99 I100 Y128V24-Y49 HydrophobicContact CB-CE2 4.48Å; V24-Y49 HydrophobicContact CG1-CD1 4.49Å; V24-Y49 HydrophobicContact CG1-CE1 3.8Å; V24-Y49 HydrophobicContact CG1-CE2 3.86Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.48Å; V24-Y49 HydrophobicContact CG2-CD1 4.05Å; V24-Y49 HydrophobicContact CG2-CD2 4Å; V24-Y49 HydrophobicContact CG2-CE1 4.19Å; V24-Y49 HydrophobicContact CG2-CE2 4.16Å; V24-Y49 HydrophobicContact CG2-CG 3.97Å; K28-Y49 VanDerWaalsContact CD-OH 3.31Å; K28-Y49 WeakPolarHBondContact CD-OH 3.49Å; K28-Y49 HydrophobicContact CG-CE2 4.47Å; K28-Y49 WeakPolarHBondContact CG-OH 3.35Å; L45-Y49 HydrophobicContact CD1-CD2 3.85Å; L45-Y49 HydrophobicContact CD1-CE2 3.69Å; L45-Y49 HydrophobicContact CG-CD2 4.21Å; L45-Y49 HydrophobicContact CG-CE2 4.47Å; L45-Y49 PolarHBondContact O-N 2.98Å; S46-Y49 PolarHBondContact O-N 3.37Å; Y49-I53 WeakPolarHBondContact O-CB 3.33Å; Y49-I53 VanDerWaalsContact O-CG2 3.23Å; Y49-I53 WeakPolarHBondContact O-CG2 3.11Å; Y49-I53 PolarHBondContact O-N 3.22Å; Y49-I96 HydrophobicContact CD1-CG2 4.16Å; Y49-D99 HydrophobicContact CE1-CB 4.44Å; Y49-D99 VanDerWaalsContact OH-CG 3.32Å; Y49-D99 PolarHBondContact OH-OD2 2.71Å; Y49-I100 HydrophobicContact CD1-CB 3.78Å; Y49-I100 HydrophobicContact CD1-CG1 4.38Å; Y49-I100 HydrophobicContact CD1-CG2 4.39Å; Y49-I100 HydrophobicContact CD2-CB 4.42Å; Y49-I100 HydrophobicContact CD2-CD1 3.73Å; Y49-I100 HydrophobicContact CD2-CG1 4.3Å; Y49-I100 HydrophobicContact CE1-CB 3.64Å; Y49-I100 HydrophobicContact CE1-CG2 4.48Å; Y49-I100 HydrophobicContact CE2-CB 4.28Å; Y49-I100 HydrophobicContact CE2-CD1 3.68Å; Y49-I100 HydrophobicContact CE2-CG1 4.41Å; Y49-I100 HydrophobicContact CG-CB 4.16Å; Y49-I100 HydrophobicContact CG-CD1 4.19Å; Y49-I100 HydrophobicContact CG-CG1 4.26Å; Y49-Y128 VanDerWaalsContact CB-OH 3.28Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.28Å; Y49-Y128 PolarHBondContact O-OH 2.77Å; Y49-Y128 VanDerWaalsContact O-OH 3.14Å
50K96.1Very high96.6Very high34 Ų3430.1 Ų30.115%0.14818%0.175CC..Hα-helixtrans-59.4-48.1175.2175.8-175.9172.9175.80111.3S46 I53 G54 E256 Q258S46-K50 WeakPolarHBondContact O-CB 3.35Å; S46-K50 PolarHBondContact O-N 3.18Å; K50-I53 WeakPolarHBondContact O-CG2 3.48Å; K50-G54 WeakPolarHBondContact O-CA 3.35Å; K50-G54 PolarHBondContact O-N 3.35Å; K50-E256 WeakPolarHBondContact CE-O 3.37Å; K50-E256 HydrophobicContact CG-CB 4.34Å; K50-Q258 PolarHBondContact NZ-O 3.43Å
51N95.5Very high96.6Very high57 Ų5728.1 Ų28.131%0.30516%0.164SC..Hα-helixtrans-68.6-42.3-179.6-82.1-80.5000112.2Y20 V47 A48 A55Y20-N51 HydrophobicContact CD1-CB 3.57Å; Y20-N51 HydrophobicContact CD2-CB 3.39Å; Y20-N51 HydrophobicContact CE1-CB 3.79Å; Y20-N51 VanDerWaalsContact CE1-CG 3.46Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.02Å; Y20-N51 HydrophobicContact CE2-CB 3.6Å; Y20-N51 HydrophobicContact CG-CB 3.35Å; Y20-N51 PolarHBondContact OH-OD1 2.88Å; V47-N51 PolarHBondContact O-N 3.46Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 3.28Å; A48-N51 PolarHBondContact O-N 2.97Å; N51-A55 PolarHBondContact O-N 2.59Å
52V96.7Very high96.5Very high8 Ų832.4 Ų32.45%0.04819%0.186CC..Hα-helixtrans-62.5-48.9177.8174.90000111V24 A48 R56 I96V24-V52 HydrophobicContact CG2-CG2 4.1Å; A48-V52 WeakPolarHBondContact O-CG2 3.35Å; A48-V52 PolarHBondContact O-N 2.62Å; V52-R56 WeakPolarHBondContact O-CD 3.37Å; V52-I96 HydrophobicContact CG1-CD1 3.66Å; V52-I96 HydrophobicContact CG1-CG1 3.9Å; V52-I96 HydrophobicContact CG1-CG2 4.24Å
53I96.9Very high96.5Very high1 Ų132.7 Ų32.71%0.00519%0.188CC..Hα-helixtrans-70.6-38.9-179.4-160.875000111.9Y49 K50 A55 R56 R57 L93 I96 Y128 Y131Y49-I53 WeakPolarHBondContact O-CB 3.33Å; Y49-I53 VanDerWaalsContact O-CG2 3.23Å; Y49-I53 WeakPolarHBondContact O-CG2 3.11Å; Y49-I53 PolarHBondContact O-N 3.22Å; K50-I53 WeakPolarHBondContact O-CG2 3.48Å; I53-A55 PolarHBondContact O-N 3.46Å; I53-R56 PolarHBondContact O-N 3.19Å; I53-R56 VanDerWaalsContact O-N 3.16Å; I53-R57 HydrophobicContact CG1-CG 4.28Å; I53-R57 WeakPolarHBondContact O-CG 3.35Å; I53-R57 PolarHBondContact O-N 3.16Å; I53-L93 HydrophobicContact CD1-CD2 3.56Å; I53-L93 HydrophobicContact CG1-CD2 4.13Å; I53-I96 HydrophobicContact CB-CG2 4.1Å; I53-I96 HydrophobicContact CD1-CB 3.75Å; I53-I96 HydrophobicContact CD1-CD1 4.21Å; I53-I96 HydrophobicContact CD1-CG2 3.55Å; I53-I96 HydrophobicContact CG1-CG2 4.38Å; I53-Y128 HydrophobicContact CB-CE1 3.91Å; I53-Y128 HydrophobicContact CD1-CE1 4.16Å; I53-Y128 HydrophobicContact CG1-CD1 4.48Å; I53-Y128 HydrophobicContact CG1-CE1 3.88Å; I53-Y128 HydrophobicContact CG2-CE1 3.94Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.45Å; I53-Y131 HydrophobicContact CD1-CD2 4.46Å; I53-Y131 HydrophobicContact CG1-CD2 3.82Å; I53-Y131 HydrophobicContact CG1-CE2 4.06Å; I53-Y131 HydrophobicContact CG2-CE2 4.07Å
54G95.1Very high96.5Very high29 Ų2932.3 Ų32.330%0.29919%0.187SC..Hα-helixtrans-59.2-45.6-179.500000112.1K50 R56 R57 A58K50-G54 WeakPolarHBondContact O-CA 3.35Å; K50-G54 PolarHBondContact O-N 3.35Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.46Å; G54-R57 PolarHBondContact O-N 2.93Å; G54-A58 WeakPolarHBondContact O-CB 3.43Å; G54-A58 PolarHBondContact O-N 3.35Å
55A94.8Very high96.3Very high51 Ų5134 Ų3442%0.42120%0.199SC..Hα-helixtrans-60.3-40.817600000112.8N51 I53 S59N51-A55 PolarHBondContact O-N 2.59Å; I53-A55 PolarHBondContact O-N 3.46Å; A55-S59 WeakPolarHBondContact O-CB 3.49Å; A55-S59 PolarHBondContact O-N 2.87Å; A55-S59 VanDerWaalsContact O-N 3.09Å; A55-S59 PolarHBondContact O-OG 3.4Å
56R97.2Very high96.2Very high67 Ų6737.8 Ų37.825%0.25322%0.219SC..Hα-helixtrans-72.1-38.9177.9-88.259.6169.3-158.1-7.1111.8V52 I53 G54 S59 W60 E92 L93 I96V52-R56 WeakPolarHBondContact O-CD 3.37Å; I53-R56 PolarHBondContact O-N 3.19Å; I53-R56 VanDerWaalsContact O-N 3.16Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.46Å; R56-S59 PolarHBondContact O-N 3.37Å; R56-W60 WeakPolarHBondContact O-CB 3.29Å; R56-W60 PolarHBondContact O-N 3.05Å; R56-E92 HydrophobicContact CG-CB 4.1Å; R56-E92 IonicContact NE-OE2 2.71Å; R56-E92 PolarHBondContact NE-OE2 3Å; R56-E92 VanDerWaalsContact NE-OE2 3.1Å; R56-L93 HydrophobicContact CB-CD2 3.53Å; R56-L93 HydrophobicContact CB-CG 3.94Å; R56-I96 HydrophobicContact CB-CD1 4.24Å; R56-I96 HydrophobicContact CG-CD1 3.87Å
57R96.4Very high96Very high2 Ų236.8 Ų36.81%0.00821%0.211CC..Hα-helixtrans-63.1-45175.5-76.4178.271.7-14615.2111.2I53 G54 S59 W60 R61 L93 Y131 E134 D254 E256I53-R57 HydrophobicContact CG1-CG 4.28Å; I53-R57 WeakPolarHBondContact O-CG 3.35Å; I53-R57 PolarHBondContact O-N 3.16Å; G54-R57 PolarHBondContact O-N 2.93Å; R57-S59 VanDerWaalsContact C-N 3.35Å; R57-S59 PolarHBondContact O-N 2.86Å; R57-W60 PolarHBondContact O-N 3.5Å; R57-R61 VanDerWaalsContact CZ-NH2 3.33Å; R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 2.99Å; R57-L93 HydrophobicContact CG-CD2 3.72Å; R57-Y131 VanDerWaalsContact CZ-CE1 3.4Å; R57-E134 IonicContact CZ-OE1 2.65Å; R57-E134 IonicContact CZ-OE2 3.43Å; R57-E134 IonicContact NE-OE1 2.66Å; R57-E134 PolarHBondContact NE-OE1 2.74Å; R57-E134 IonicContact NE-OE2 2.86Å; R57-E134 PolarHBondContact NE-OE2 2.85Å; R57-E134 IonicContact NH2-OE1 2.76Å; R57-E134 PolarHBondContact NH2-OE1 3.02Å; R57-E134 IonicContact NH2-OE2 3.56Å; R57-D254 IonicContact CZ-OD2 3.67Å; R57-D254 IonicContact NH1-OD2 2.65Å; R57-D254 IonicContact NH2-OD2 3.47Å; R57-D254 PolarHBondContact NH2-OD2 3.44Å; R57-E256 IonicContact NH1-OE2 3.75Å; R57-E256 PolarHBondContact NH1-OE2 3.3Å
58A95Very high95.8Very high46 Ų4640.3 Ų40.338%0.3822%0.224SC..Hα-helixtrans-59.4-45.917500000111.6G54 W60 R61 I62G54-A58 WeakPolarHBondContact O-CB 3.43Å; G54-A58 PolarHBondContact O-N 3.35Å; A58-W60 PolarHBondContact O-N 2.86Å; A58-R61 PolarHBondContact O-N 2.99Å; A58-I62 WeakPolarHBondContact O-CG1 3.42Å; A58-I62 PolarHBondContact O-N 3.01Å; A58-I62 VanDerWaalsContact O-N 3.09Å
59S96.8Very high95.5Very high52 Ų5246.5 Ų46.536%0.36425%0.251SS..Hα-helixtrans-58.9-47.2175.6-58.60000111.6A55 R56 R57 I62 I63A55-S59 WeakPolarHBondContact O-CB 3.49Å; A55-S59 PolarHBondContact O-N 2.87Å; A55-S59 VanDerWaalsContact O-N 3.09Å; A55-S59 PolarHBondContact O-OG 3.4Å; R56-S59 PolarHBondContact O-N 3.37Å; R57-S59 VanDerWaalsContact C-N 3.35Å; R57-S59 PolarHBondContact O-N 2.86Å; S59-I62 PolarHBondContact O-N 2.82Å; S59-I63 WeakPolarHBondContact O-CD1 3.5Å; S59-I63 WeakPolarHBondContact O-CG1 3.5Å; S59-I63 PolarHBondContact O-N 3.06Å
60W97.6Very high95.2Very high34 Ų3447.3 Ų47.313%0.12926%0.255CS..Hα-helixtrans-60.4-47.9178.5177.377.7000112.2R56 R57 A58 I62 I63 T64 V89 E90 L93 E134 F135R56-W60 WeakPolarHBondContact O-CB 3.29Å; R56-W60 PolarHBondContact O-N 3.05Å; R57-W60 PolarHBondContact O-N 3.5Å; A58-W60 PolarHBondContact O-N 2.86Å; W60-I62 VanDerWaalsContact C-N 3.33Å; W60-I62 PolarHBondContact O-N 3.08Å; W60-I63 PolarHBondContact O-N 3.37Å; W60-T64 WeakPolarHBondContact O-CB 3.37Å; W60-T64 PolarHBondContact O-N 2.98Å; W60-T64 PolarHBondContact O-OG1 2.87Å; W60-T64 VanDerWaalsContact O-OG1 3.13Å; W60-V89 HydrophobicContact CB-CG1 3.8Å; W60-E90 PolarHBondContact NE1-OE1 2.87Å; W60-E90 VanDerWaalsContact NE1-OE1 3.1Å; W60-L93 HydrophobicContact CB-CD1 3.77Å; W60-L93 HydrophobicContact CD2-CD1 4.5Å; W60-L93 HydrophobicContact CG-CD1 3.92Å; W60-E134 HydrophobicContact CH2-CB 4.18Å; W60-E134 WeakPolarHBondContact CH2-O 3.43Å; W60-E134 HydrophobicContact CZ3-CB 4.18Å; W60-F135 HydrophobicContact CD2-CB 4.42Å; W60-F135 HydrophobicContact CH2-CB 4.17Å; W60-F135 HydrophobicContact CZ2-CB 3.44Å; W60-F135 VanDerWaalsContact CZ2-CB 3.44Å
61R95.5Very high94.8Very high64 Ų6450.1 Ų50.124%0.24227%0.269CS..Hα-helixtrans-57.3-44.3177.3-73174.8179.3144.5-7.1112.3R57 A58 S65R57-R61 VanDerWaalsContact CZ-NH2 3.33Å; R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 2.99Å; A58-R61 PolarHBondContact O-N 2.99Å; R61-S65 PolarHBondContact O-N 3.33Å
62I96.1Very high94.3Very high104 Ų10454.3 Ų54.353%0.53329%0.291SS..Hα-helixtrans-63.3-47.5177.9-69.2166.3000110.6A58 S59 W60 S65 I66A58-I62 WeakPolarHBondContact O-CG1 3.42Å; A58-I62 PolarHBondContact O-N 3.01Å; A58-I62 VanDerWaalsContact O-N 3.09Å; S59-I62 PolarHBondContact O-N 2.82Å; W60-I62 VanDerWaalsContact C-N 3.33Å; W60-I62 PolarHBondContact O-N 3.08Å; I62-S65 WeakPolarHBondContact O-CB 3.41Å; I62-S65 PolarHBondContact O-N 2.89Å; I62-I66 HydrophobicContact CG2-CD1 3.84Å; I62-I66 WeakPolarHBondContact O-CG1 3.37Å; I62-I66 PolarHBondContact O-N 3.23Å
63I97Very high93.8Very high15 Ų1560.7 Ų60.78%0.07732%0.318CS..Hα-helixtrans-63.7-44.2-178.9-65.3160.3000110.7S59 W60 S65 I66 E67 I82 Y85 R86 V89S59-I63 WeakPolarHBondContact O-CD1 3.5Å; S59-I63 WeakPolarHBondContact O-CG1 3.5Å; S59-I63 PolarHBondContact O-N 3.06Å; W60-I63 PolarHBondContact O-N 3.37Å; I63-S65 VanDerWaalsContact C-N 3.3Å; I63-S65 PolarHBondContact O-N 3.19Å; I63-I66 WeakPolarHBondContact O-CB 3.34Å; I63-I66 PolarHBondContact O-N 2.86Å; I63-I66 VanDerWaalsContact O-N 3.12Å; I63-E67 PolarHBondContact O-N 3.45Å; I63-I82 HydrophobicContact CG2-CG2 4.05Å; I63-Y85 HydrophobicContact CD1-CD1 3.51Å; I63-Y85 HydrophobicContact CD1-CE1 3.44Å; I63-Y85 VanDerWaalsContact CD1-CE1 3.44Å; I63-Y85 HydrophobicContact CG1-CD1 4Å; I63-Y85 HydrophobicContact CG1-CE1 4.08Å; I63-R86 HydrophobicContact CG2-CB 3.72Å; I63-R86 HydrophobicContact CG2-CG 4.17Å; I63-V89 HydrophobicContact CD1-CB 4.38Å; I63-V89 HydrophobicContact CD1-CG2 3.57Å
64T95.7Very high92.9Very high29 Ų2963.7 Ų63.718%0.17835%0.35CS..Hα-helixtrans-60.9-38.7175.5-62.10000111.5W60 E67 Q68W60-T64 WeakPolarHBondContact O-CB 3.37Å; W60-T64 PolarHBondContact O-N 2.98Å; W60-T64 PolarHBondContact O-OG1 2.87Å; W60-T64 VanDerWaalsContact O-OG1 3.13Å; T64-E67 WeakPolarHBondContact O-CB 3.33Å; T64-E67 PolarHBondContact O-N 2.88Å; T64-Q68 WeakPolarHBondContact O-CG 3.23Å; T64-Q68 PolarHBondContact O-N 3.17Å; T64-Q68 VanDerWaalsContact O-N 3.09Å
65S94.3Very high92.4Very high44 Ų4463.9 Ų63.931%0.30835%0.349SS..Hα-helixtrans-65.3-38.2173.8-173.50000112.7R61 I62 I63 K69R61-S65 PolarHBondContact O-N 3.33Å; I62-S65 WeakPolarHBondContact O-CB 3.41Å; I62-S65 PolarHBondContact O-N 2.89Å; I63-S65 VanDerWaalsContact C-N 3.3Å; I63-S65 PolarHBondContact O-N 3.19Å; S65-K69 WeakPolarHBondContact O-CG 3.45Å; S65-K69 PolarHBondContact O-N 3.44Å
66I94.3Very high92.1Very high80 Ų8069.4 Ų69.441%0.4137%0.365SS..Hα-helixtrans-66.8-42.7175.8-68.1166.8000110.5I62 I63 K69 E70 I82I62-I66 HydrophobicContact CG2-CD1 3.84Å; I62-I66 WeakPolarHBondContact O-CG1 3.37Å; I62-I66 PolarHBondContact O-N 3.23Å; I63-I66 WeakPolarHBondContact O-CB 3.34Å; I63-I66 PolarHBondContact O-N 2.86Å; I63-I66 VanDerWaalsContact O-N 3.12Å; I66-K69 PolarHBondContact O-N 3.45Å; I66-E70 PolarHBondContact O-N 3.27Å; I66-I82 HydrophobicContact CG2-CD1 3.91Å; I66-I82 HydrophobicContact CG2-CG1 4.36Å
67E94Very high91.9Very high10 Ų1074.3 Ų74.35%0.04739%0.391CS..Hα-helixtrans-55.4-53.6176.1-170.4-176.2171.300111.1I63 T64 K69 E70 E71 L79 I82 K83 R86I63-E67 PolarHBondContact O-N 3.45Å; T64-E67 WeakPolarHBondContact O-CB 3.33Å; T64-E67 PolarHBondContact O-N 2.88Å; E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 3.02Å; E67-E70 PolarHBondContact O-N 3.39Å; E67-E71 WeakPolarHBondContact O-CG 3.48Å; E67-E71 PolarHBondContact O-N 3.06Å; E67-L79 HydrophobicContact CG-CD1 3.87Å; E67-I82 HydrophobicContact CB-CG2 3.59Å; E67-I82 HydrophobicContact CG-CG2 4.03Å; E67-K83 HydrophobicContact CG-CG 4.38Å; E67-K83 WeakPolarHBondContact OE1-CE 3.47Å; E67-K83 VanDerWaalsContact OE1-CG 3.31Å; E67-K83 WeakPolarHBondContact OE1-CG 3.48Å; E67-R86 IonicContact OE1-CZ 3.7Å; E67-R86 IonicContact OE1-NH1 3.94Å; E67-R86 PolarHBondContact OE1-NH1 3.27Å; E67-R86 VanDerWaalsContact OE2-CD 3.25Å; E67-R86 WeakPolarHBondContact OE2-CD 3.35Å; E67-R86 IonicContact OE2-CZ 3.68Å; E67-R86 IonicContact OE2-NE 3.74Å; E67-R86 IonicContact OE2-NH1 2.84Å; E67-R86 PolarHBondContact OE2-NH1 3.22Å
68Q91.5Very high91.7Very high117 Ų11780.2 Ų80.255%0.54742%0.417SS..Hα-helixtrans-56.7-38.6178.5-71.1172.8-5.200112.5T64 N72T64-Q68 WeakPolarHBondContact O-CG 3.23Å; T64-Q68 PolarHBondContact O-N 3.17Å; T64-Q68 VanDerWaalsContact O-N 3.09Å; Q68-N72 PolarHBondContact O-ND2 3.4Å; Q68-N72 VanDerWaalsContact O-ND2 3.15Å
69K91.6Very high91.7Very high130 Ų13079.5 Ų79.557%0.56541%0.407SS*.Hα-helixtrans-71.1-31.7177.6-72.7170.9-176168.10112.9S65 I66 E67S65-K69 WeakPolarHBondContact O-CG 3.45Å; S65-K69 PolarHBondContact O-N 3.44Å; I66-K69 PolarHBondContact O-N 3.45Å; E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 3.02Å
70E90.3Very high91.6Very high20 Ų2082.6 Ų82.69%0.09342%0.416CS..Hα-helixtrans-84.8-30.9-178.9-158.166.6-169.100112.3I66 E67 N72 K73 K78 I82I66-E70 PolarHBondContact O-N 3.27Å; E67-E70 PolarHBondContact O-N 3.39Å; E70-N72 PolarHBondContact O-N 2.97Å; E70-K73 PolarHBondContact O-N 3.47Å; E70-K73 WeakPolarHBondContact OE2-CD 3.33Å; E70-K73 IonicContact OE2-NZ 3.39Å; E70-K73 PolarHBondContact OE2-NZ 2.93Å; E70-K78 HydrophobicContact CG-CB 4.2Å; E70-K78 WeakPolarHBondContact OE1-CD 3.27Å; E70-I82 HydrophobicContact CB-CD1 3.71Å; E70-I82 HydrophobicContact CG-CD1 3.88Å
71E88.2Confident91.5Very high92 Ų9287.6 Ų87.643%0.4344%0.442SS..Hα-helixtrans-53.8-38.2171.3-75.2-166.7152.100111.6E67 K73 L79 K83E67-E71 WeakPolarHBondContact O-CG 3.48Å; E67-E71 PolarHBondContact O-N 3.06Å; E71-K73 PolarHBondContact O-N 3.08Å; E71-L79 HydrophobicContact CG-CD1 3.35Å; E71-L79 HydrophobicContact CG-CD2 3.78Å; E71-L79 HydrophobicContact CG-CG 4.2Å; E71-K83 WeakPolarHBondContact OE1-CE 3.13Å; E71-K83 IonicContact OE1-NZ 2.85Å; E71-K83 PolarHBondContact OE1-NZ 2.9Å
72N85.1Confident91.6Very high145 Ų14585.9 Ų85.978%0.77544%0.437SS*.THydrogen-bonded Turntrans-70-9.2178.2-68-34.7000114.8Q68 E70Q68-N72 PolarHBondContact O-ND2 3.4Å; Q68-N72 VanDerWaalsContact O-ND2 3.15Å; E70-N72 PolarHBondContact O-N 2.97Å
73K86.7Confident91.6Very high142 Ų14284.2 Ų84.262%0.61743%0.426SS*.THydrogen-bonded Turntrans-103.7-10.2-177-60.1-177.9-160.8153.10114.3E70 E71 A75E70-K73 PolarHBondContact O-N 3.47Å; E70-K73 WeakPolarHBondContact OE2-CD 3.33Å; E70-K73 IonicContact OE2-NZ 3.39Å; E70-K73 PolarHBondContact OE2-NZ 2.93Å; E71-K73 PolarHBondContact O-N 3.08Å; K73-A75 VanDerWaalsContact C-N 3.33Å; K73-A75 PolarHBondContact O-N 3.29Å
74G78.2Confident91.6Very high65 Ų6587 Ų8767%0.6744%0.444SS*.THydrogen-bonded Turntrans7119.7179.100000115.5E76G74-E76 PolarHBondContact O-N 3.3Å
75A83.6Confident91.7Very high33 Ų3391.9 Ų91.927%0.27346%0.46SS..  trans-89.784.217800000111.6K73 E77 K78 L79K73-A75 VanDerWaalsContact C-N 3.33Å; K73-A75 PolarHBondContact O-N 3.29Å; A75-E77 PolarHBondContact O-N 2.97Å; A75-K78 HydrophobicContact CB-CB 4.31Å; A75-K78 HydrophobicContact CB-CD 4.3Å; A75-K78 PolarHBondContact O-N 3.04Å; A75-L79 WeakPolarHBondContact O-CB 3.24Å; A75-L79 PolarHBondContact O-N 3.45Å
76E89.9Confident91.9Very high166 Ų16692.9 Ų92.978%0.77646%0.457SS*.Hα-helixtrans-56.4-45.2-172-66.5-178.5177.600114.2G74 K78 L79 E80G74-E76 PolarHBondContact O-N 3.3Å; E76-K78 PolarHBondContact O-N 3.43Å; E76-L79 WeakPolarHBondContact O-CB 3.12Å; E76-L79 PolarHBondContact O-N 3.45Å; E76-E80 PolarHBondContact O-N 3.05Å
77E91.7Very high92.1Very high171 Ų17190.6 Ų90.680%0.79945%0.453SS*.Hα-helixtrans-62.5-42.7-178.7-66.9-177.3170.100112.5A75 E80 M81A75-E77 PolarHBondContact O-N 2.97Å; E77-E80 PolarHBondContact O-N 3.42Å; E77-M81 WeakPolarHBondContact O-CG 3.37Å; E77-M81 PolarHBondContact O-N 3.39Å; E77-M81 VanDerWaalsContact O-N 3.17Å
78K93.2Very high92.3Very high125 Ų12595 Ų9554%0.54347%0.474SS..Hα-helixtrans-67.9-40.3177.3-70.9-177.2179.8177.70111.2E70 A75 E76 E80 M81 I82E70-K78 HydrophobicContact CG-CB 4.2Å; E70-K78 WeakPolarHBondContact OE1-CD 3.27Å; A75-K78 HydrophobicContact CB-CB 4.31Å; A75-K78 HydrophobicContact CB-CD 4.3Å; A75-K78 PolarHBondContact O-N 3.04Å; E76-K78 PolarHBondContact O-N 3.43Å; K78-E80 VanDerWaalsContact C-N 3.31Å; K78-E80 PolarHBondContact O-N 3.33Å; K78-M81 PolarHBondContact O-N 2.98Å; K78-I82 WeakPolarHBondContact O-CD1 3.46Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.34Å; K78-I82 PolarHBondContact O-N 2.87Å
79L94.4Very high92.6Very high31 Ų3189.7 Ų89.716%0.16245%0.449CS..Hα-helixtrans-60.5-43177.8-179.459.9000111.2E67 E71 A75 E76 I82 K83E67-L79 HydrophobicContact CG-CD1 3.87Å; E71-L79 HydrophobicContact CG-CD1 3.35Å; E71-L79 HydrophobicContact CG-CD2 3.78Å; E71-L79 HydrophobicContact CG-CG 4.2Å; A75-L79 WeakPolarHBondContact O-CB 3.24Å; A75-L79 PolarHBondContact O-N 3.45Å; E76-L79 WeakPolarHBondContact O-CB 3.12Å; E76-L79 PolarHBondContact O-N 3.45Å; L79-I82 PolarHBondContact O-N 2.91Å; L79-K83 HydrophobicContact CD1-CD 4.39Å; L79-K83 HydrophobicContact CG-CD 4.23Å; L79-K83 WeakPolarHBondContact O-CG 3.13Å; L79-K83 PolarHBondContact O-N 3.13Å
80E95.3Very high92.9Very high118 Ų11885 Ų8555%0.55143%0.43SS*.Hα-helixtrans-64.6-40177.2-171.957.7-153.300112.3E76 E77 K78 I82 K83 T84E76-E80 PolarHBondContact O-N 3.05Å; E77-E80 PolarHBondContact O-N 3.42Å; K78-E80 VanDerWaalsContact C-N 3.31Å; K78-E80 PolarHBondContact O-N 3.33Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.91Å; E80-K83 PolarHBondContact O-N 2.84Å; E80-T84 WeakPolarHBondContact O-CB 3.39Å; E80-T84 PolarHBondContact O-N 2.94Å; E80-T84 PolarHBondContact O-OG1 3.37Å
81M96Very high93.3Very high139 Ų13990 Ų9069%0.68545%0.451SS*.Hα-helixtrans-61-42.5173.3-70.8179.165.900112E77 K78 T84 Y85E77-M81 WeakPolarHBondContact O-CG 3.37Å; E77-M81 PolarHBondContact O-N 3.39Å; E77-M81 VanDerWaalsContact O-N 3.17Å; K78-M81 PolarHBondContact O-N 2.98Å; M81-T84 PolarHBondContact O-N 3.4Å; M81-Y85 WeakPolarHBondContact O-CB 3.03Å; M81-Y85 PolarHBondContact O-N 2.9Å
82I96.5Very high93.8Very high28 Ų2889.6 Ų89.614%0.14445%0.449CS..Hα-helixtrans-65-46178.1-66.2159.3000110.5I63 I66 E67 E70 K78 L79 E80 T84 Y85 R86I63-I82 HydrophobicContact CG2-CG2 4.05Å; I66-I82 HydrophobicContact CG2-CD1 3.91Å; I66-I82 HydrophobicContact CG2-CG1 4.36Å; E67-I82 HydrophobicContact CB-CG2 3.59Å; E67-I82 HydrophobicContact CG-CG2 4.03Å; E70-I82 HydrophobicContact CB-CD1 3.71Å; E70-I82 HydrophobicContact CG-CD1 3.88Å; K78-I82 WeakPolarHBondContact O-CD1 3.46Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.34Å; K78-I82 PolarHBondContact O-N 2.87Å; L79-I82 PolarHBondContact O-N 2.91Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.91Å; I82-T84 VanDerWaalsContact C-N 3.35Å; I82-T84 PolarHBondContact O-N 3.41Å; I82-Y85 PolarHBondContact O-N 3.07Å; I82-R86 WeakPolarHBondContact O-CB 3.08Å; I82-R86 PolarHBondContact O-N 3.13Å
83K96.5Very high94.4Very high68 Ų6882.7 Ų82.730%0.29641%0.412SS..Hα-helixtrans-59.9-43.7177.2-77.1177.1175.91730112.1E67 E71 L79 E80 Y85 R86 G87E67-K83 HydrophobicContact CG-CG 4.38Å; E67-K83 WeakPolarHBondContact OE1-CE 3.47Å; E67-K83 VanDerWaalsContact OE1-CG 3.31Å; E67-K83 WeakPolarHBondContact OE1-CG 3.48Å; E71-K83 WeakPolarHBondContact OE1-CE 3.13Å; E71-K83 IonicContact OE1-NZ 2.85Å; E71-K83 PolarHBondContact OE1-NZ 2.9Å; L79-K83 HydrophobicContact CD1-CD 4.39Å; L79-K83 HydrophobicContact CG-CD 4.23Å; L79-K83 WeakPolarHBondContact O-CG 3.13Å; L79-K83 PolarHBondContact O-N 3.13Å; E80-K83 PolarHBondContact O-N 2.84Å; K83-Y85 PolarHBondContact O-N 3.49Å; K83-R86 PolarHBondContact O-N 3.34Å; K83-G87 PolarHBondContact O-N 3.16Å
84T97.8Very high95Very high74 Ų7480.1 Ų80.145%0.45440%0.398SS..Hα-helixtrans-60.2-46.1175.4-62.40000111.3E80 M81 I82 G87 Q88E80-T84 WeakPolarHBondContact O-CB 3.39Å; E80-T84 PolarHBondContact O-N 2.94Å; E80-T84 PolarHBondContact O-OG1 3.37Å; M81-T84 PolarHBondContact O-N 3.4Å; I82-T84 VanDerWaalsContact C-N 3.35Å; I82-T84 PolarHBondContact O-N 3.41Å; T84-G87 PolarHBondContact O-N 2.97Å; T84-Q88 PolarHBondContact O-N 2.81Å
85Y97.8Very high96Very high131 Ų13180.7 Ų80.751%0.51439%0.386SS..Hα-helixtrans-68.5-40.1-179.8-169.1-123.4000112.3I63 M81 I82 K83 G87 Q88 V89I63-Y85 HydrophobicContact CD1-CD1 3.51Å; I63-Y85 HydrophobicContact CD1-CE1 3.44Å; I63-Y85 VanDerWaalsContact CD1-CE1 3.44Å; I63-Y85 HydrophobicContact CG1-CD1 4Å; I63-Y85 HydrophobicContact CG1-CE1 4.08Å; M81-Y85 WeakPolarHBondContact O-CB 3.03Å; M81-Y85 PolarHBondContact O-N 2.9Å; I82-Y85 PolarHBondContact O-N 3.07Å; K83-Y85 PolarHBondContact O-N 3.49Å; Y85-G87 VanDerWaalsContact C-N 3.3Å; Y85-G87 PolarHBondContact O-N 3.39Å; Y85-Q88 WeakPolarHBondContact O-CB 3.49Å; Y85-Q88 PolarHBondContact O-N 3.23Å; Y85-Q88 VanDerWaalsContact O-N 3.13Å; Y85-V89 PolarHBondContact O-N 2.76Å
86R97.7Very high96.7Very high66 Ų6680.1 Ų80.125%0.24938%0.379CS..Hα-helixtrans-55.9-46.5171.9-168.2-167.971.6-160.3-4.8111.1I63 E67 I82 K83 Q88 V89 E90I63-R86 HydrophobicContact CG2-CB 3.72Å; I63-R86 HydrophobicContact CG2-CG 4.17Å; E67-R86 IonicContact OE1-CZ 3.7Å; E67-R86 IonicContact OE1-NH1 3.94Å; E67-R86 PolarHBondContact OE1-NH1 3.27Å; E67-R86 VanDerWaalsContact OE2-CD 3.25Å; E67-R86 WeakPolarHBondContact OE2-CD 3.35Å; E67-R86 IonicContact OE2-CZ 3.68Å; E67-R86 IonicContact OE2-NE 3.74Å; E67-R86 IonicContact OE2-NH1 2.84Å; E67-R86 PolarHBondContact OE2-NH1 3.22Å; I82-R86 WeakPolarHBondContact O-CB 3.08Å; I82-R86 PolarHBondContact O-N 3.13Å; K83-R86 PolarHBondContact O-N 3.34Å; R86-Q88 VanDerWaalsContact C-N 3.26Å; R86-Q88 PolarHBondContact O-N 3.31Å; R86-V89 PolarHBondContact O-N 2.94Å; R86-V89 VanDerWaalsContact O-N 3.11Å; R86-E90 VanDerWaalsContact CD-OE1 3.3Å; R86-E90 WeakPolarHBondContact CD-OE1 3.47Å; R86-E90 HydrophobicContact CG-CG 4.42Å; R86-E90 WeakPolarHBondContact CG-OE1 2.89Å; R86-E90 IonicContact CZ-OE1 2.87Å; R86-E90 IonicContact NE-OE1 3.86Å; R86-E90 PolarHBondContact NE-OE1 3.04Å; R86-E90 WeakPolarHBondContact O-CG 3.3Å; R86-E90 PolarHBondContact O-N 3.41Å
87G97.9Very high97.1Very high32 Ų3272.2 Ų72.233%0.3334%0.342SS..Hα-helixtrans-60.6-31.9177.900000113.9K83 T84 Y85 K91K83-G87 PolarHBondContact O-N 3.16Å; T84-G87 PolarHBondContact O-N 2.97Å; Y85-G87 VanDerWaalsContact C-N 3.3Å; Y85-G87 PolarHBondContact O-N 3.39Å; G87-K91 PolarHBondContact O-N 3.37Å
88Q98.3Very high97.4Very high102 Ų10266.4 Ų66.448%0.47732%0.32SS..Hα-helixtrans-66.8-45.6172.9-67.7174.8-0.500111.4T84 Y85 R86 K91 E92T84-Q88 PolarHBondContact O-N 2.81Å; Y85-Q88 WeakPolarHBondContact O-CB 3.49Å; Y85-Q88 PolarHBondContact O-N 3.23Å; Y85-Q88 VanDerWaalsContact O-N 3.13Å; R86-Q88 VanDerWaalsContact C-N 3.26Å; R86-Q88 PolarHBondContact O-N 3.31Å; Q88-K91 WeakPolarHBondContact O-CB 3.39Å; Q88-K91 PolarHBondContact O-N 3.29Å; Q88-E92 PolarHBondContact O-N 2.83Å
89V98.3Very high97.7Very high5 Ų562.6 Ų62.63%0.0331%0.305CS..Hα-helixtrans-65.8-39.2177.4-1790000111.5W60 I63 Y85 R86 K91 E92 L93W60-V89 HydrophobicContact CB-CG1 3.8Å; I63-V89 HydrophobicContact CD1-CB 4.38Å; I63-V89 HydrophobicContact CD1-CG2 3.57Å; Y85-V89 PolarHBondContact O-N 2.76Å; R86-V89 PolarHBondContact O-N 2.94Å; R86-V89 VanDerWaalsContact O-N 3.11Å; V89-K91 VanDerWaalsContact C-N 3.28Å; V89-K91 PolarHBondContact O-N 3.32Å; V89-E92 PolarHBondContact O-N 3.34Å; V89-L93 HydrophobicContact CG1-CD1 4.43Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.39Å
90E98.4Very high97.9Very high33 Ų3361.1 Ų61.115%0.15430%0.298CS..Hα-helixtrans-61.8-36.5173.7-72.9171.8-179.400112.1W60 R86 R94 F135W60-E90 PolarHBondContact NE1-OE1 2.87Å; W60-E90 VanDerWaalsContact NE1-OE1 3.1Å; R86-E90 VanDerWaalsContact CD-OE1 3.3Å; R86-E90 WeakPolarHBondContact CD-OE1 3.47Å; R86-E90 HydrophobicContact CG-CG 4.42Å; R86-E90 WeakPolarHBondContact CG-OE1 2.89Å; R86-E90 IonicContact CZ-OE1 2.87Å; R86-E90 IonicContact NE-OE1 3.86Å; R86-E90 PolarHBondContact NE-OE1 3.04Å; R86-E90 WeakPolarHBondContact O-CG 3.3Å; R86-E90 PolarHBondContact O-N 3.41Å; E90-R94 WeakPolarHBondContact O-CB 3.08Å; E90-R94 PolarHBondContact O-N 3.02Å; E90-F135 HydrophobicContact CB-CD2 3.87Å; E90-F135 HydrophobicContact CB-CE2 4.17Å; E90-F135 HydrophobicContact CG-CB 4.09Å; E90-F135 HydrophobicContact CG-CD2 3.82Å; E90-F135 HydrophobicContact CG-CG 4.15Å; E90-F135 WeakPolarHBondContact O-CE2 3.31Å
91K98.4Very high98Very high124 Ų12456.1 Ų56.154%0.53928%0.275SS..Hα-helixtrans-64.6-46.7172.9-175.3-172.3173.3-630111G87 Q88 V89 L93 R94 D95G87-K91 PolarHBondContact O-N 3.37Å; Q88-K91 WeakPolarHBondContact O-CB 3.39Å; Q88-K91 PolarHBondContact O-N 3.29Å; V89-K91 VanDerWaalsContact C-N 3.28Å; V89-K91 PolarHBondContact O-N 3.32Å; K91-L93 PolarHBondContact O-N 3.24Å; K91-R94 PolarHBondContact O-N 3.16Å; K91-D95 IonicContact NZ-OD2 3.45Å; K91-D95 PolarHBondContact NZ-OD2 3.5Å; K91-D95 VanDerWaalsContact O-CG 3.23Å; K91-D95 PolarHBondContact O-N 3.18Å
92E98.4Very high98.2Very high83 Ų8352.7 Ų52.739%0.38826%0.259SS..Hα-helixtrans-59.5-46.2176.5-68.8178.9-157.500111.9R56 Q88 V89 R94 D95 I96R56-E92 HydrophobicContact CG-CB 4.1Å; R56-E92 IonicContact NE-OE2 2.71Å; R56-E92 PolarHBondContact NE-OE2 3Å; R56-E92 VanDerWaalsContact NE-OE2 3.1Å; Q88-E92 PolarHBondContact O-N 2.83Å; V89-E92 PolarHBondContact O-N 3.34Å; E92-R94 VanDerWaalsContact C-N 3.31Å; E92-R94 PolarHBondContact O-N 3.13Å; E92-D95 PolarHBondContact O-N 3.34Å; E92-I96 WeakPolarHBondContact O-CD1 3.38Å; E92-I96 VanDerWaalsContact O-CG1 3.26Å; E92-I96 WeakPolarHBondContact O-CG1 3.39Å; E92-I96 PolarHBondContact O-N 3.11Å
93L98.4Very high98.3Very high1 Ų151.9 Ų51.91%0.00526%0.255CS..Hα-helixtrans-56-46.5174.8-78.9171.9000111.6I53 R56 R57 W60 V89 K91 I96 C97 F135I53-L93 HydrophobicContact CD1-CD2 3.56Å; I53-L93 HydrophobicContact CG1-CD2 4.13Å; R56-L93 HydrophobicContact CB-CD2 3.53Å; R56-L93 HydrophobicContact CB-CG 3.94Å; R57-L93 HydrophobicContact CG-CD2 3.72Å; W60-L93 HydrophobicContact CB-CD1 3.77Å; W60-L93 HydrophobicContact CD2-CD1 4.5Å; W60-L93 HydrophobicContact CG-CD1 3.92Å; V89-L93 HydrophobicContact CG1-CD1 4.43Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.39Å; K91-L93 PolarHBondContact O-N 3.24Å; L93-I96 PolarHBondContact O-N 2.85Å; L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.17Å; L93-C97 PolarHBondContact O-SG 3.45Å; L93-F135 HydrophobicContact CB-CD1 4.45Å; L93-F135 HydrophobicContact CB-CE1 3.69Å; L93-F135 HydrophobicContact CB-CZ 3.76Å; L93-F135 HydrophobicContact CD1-CD1 4.02Å; L93-F135 HydrophobicContact CD1-CE1 4.07Å; L93-F135 HydrophobicContact CG-CE1 4.46Å
94R98.5Very high98.4Very high87 Ų8748.7 Ų48.733%0.32824%0.241SC..Hα-helixtrans-63.4-41178.8-169.4-176.8-55.4-100.2-0.8112.2E90 K91 E92 S98 L132 F135 D140E90-R94 WeakPolarHBondContact O-CB 3.08Å; E90-R94 PolarHBondContact O-N 3.02Å; K91-R94 PolarHBondContact O-N 3.16Å; E92-R94 VanDerWaalsContact C-N 3.31Å; E92-R94 PolarHBondContact O-N 3.13Å; R94-S98 VanDerWaalsContact O-CB 3.27Å; R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 3.44Å; R94-S98 PolarHBondContact O-OG 3.24Å; R94-L132 HydrophobicContact CB-CD2 4.39Å; R94-L132 HydrophobicContact CG-CD2 4.12Å; R94-F135 HydrophobicContact CB-CE2 4.3Å; R94-F135 HydrophobicContact CB-CZ 4.16Å; R94-D140 IonicContact NH1-OD2 3.43Å; R94-D140 PolarHBondContact NH1-OD2 2.78Å
95D98.6Very high98.4Very high78 Ų7849.4 Ų49.442%0.41724%0.24SC..Hα-helixtrans-65.2-45.2178.4-69.5-18.6000110.2K91 E92 S98 D99K91-D95 IonicContact NZ-OD2 3.45Å; K91-D95 PolarHBondContact NZ-OD2 3.5Å; K91-D95 VanDerWaalsContact O-CG 3.23Å; K91-D95 PolarHBondContact O-N 3.18Å; E92-D95 PolarHBondContact O-N 3.34Å; D95-S98 PolarHBondContact O-N 3.2Å; D95-D99 WeakPolarHBondContact O-CB 3.47Å; D95-D99 PolarHBondContact O-N 3.21Å
96I98.4Very high98.4Very high21 Ų2149.3 Ų49.311%0.10824%0.242CC..Hα-helixtrans-62.2-48.6176.9-62.8155.8000110.8Y49 V52 I53 R56 E92 L93 S98 D99 I100 Y128Y49-I96 HydrophobicContact CD1-CG2 4.16Å; V52-I96 HydrophobicContact CG1-CD1 3.66Å; V52-I96 HydrophobicContact CG1-CG1 3.9Å; V52-I96 HydrophobicContact CG1-CG2 4.24Å; I53-I96 HydrophobicContact CB-CG2 4.1Å; I53-I96 HydrophobicContact CD1-CB 3.75Å; I53-I96 HydrophobicContact CD1-CD1 4.21Å; I53-I96 HydrophobicContact CD1-CG2 3.55Å; I53-I96 HydrophobicContact CG1-CG2 4.38Å; R56-I96 HydrophobicContact CB-CD1 4.24Å; R56-I96 HydrophobicContact CG-CD1 3.87Å; E92-I96 WeakPolarHBondContact O-CD1 3.38Å; E92-I96 VanDerWaalsContact O-CG1 3.26Å; E92-I96 WeakPolarHBondContact O-CG1 3.39Å; E92-I96 PolarHBondContact O-N 3.11Å; L93-I96 PolarHBondContact O-N 2.85Å; I96-S98 PolarHBondContact O-N 2.87Å; I96-D99 PolarHBondContact O-N 3.02Å; I96-I100 WeakPolarHBondContact O-CG2 3.45Å; I96-I100 PolarHBondContact O-N 3.34Å; I96-Y128 HydrophobicContact CG2-CE1 4.47Å
97C98.5Very high98.4Very high0 Ų048.3 Ų48.30%024%0.24CC..Hα-helixtrans-60.9-45.3178.5-65.40000111.4L93 D99 I100 L101 Y128 L132L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.17Å; L93-C97 PolarHBondContact O-SG 3.45Å; C97-D99 VanDerWaalsContact C-N 3.28Å; C97-D99 PolarHBondContact O-N 3.32Å; C97-I100 WeakPolarHBondContact O-CG2 3.45Å; C97-L101 VanDerWaalsContact O-CB 3.25Å; C97-L101 WeakPolarHBondContact O-CB 3.43Å; C97-L101 WeakPolarHBondContact O-CD1 3.1Å; C97-L101 WeakPolarHBondContact O-CG 3.4Å; C97-L101 PolarHBondContact O-N 3.43Å; C97-Y128 HydrophobicContact CB-CD1 4.23Å; C97-L132 HydrophobicContact CB-CD1 4.03Å; C97-L132 HydrophobicContact CB-CD2 3.63Å; C97-L132 HydrophobicContact CB-CG 3.68Å
98S98.5Very high98.5Very high48 Ų4847.1 Ų47.134%0.33623%0.226SC..Hα-helixtrans-63-37.4179.1-58.90000111.6R94 D95 I96 N102R94-S98 VanDerWaalsContact O-CB 3.27Å; R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 3.44Å; R94-S98 PolarHBondContact O-OG 3.24Å; D95-S98 PolarHBondContact O-N 3.2Å; I96-S98 PolarHBondContact O-N 2.87Å; S98-N102 WeakPolarHBondContact O-CB 3.43Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 PolarHBondContact O-ND2 2.87Å
99D98.5Very high98.5Very high46 Ų4643.7 Ų43.725%0.24621%0.21CC..Hα-helixtrans-63.1-54.7178.9-170.444000111.8K28 Y49 D95 I96 C97 L101 N102 V103K28-D99 WeakPolarHBondContact CD-OD2 3.2Å; K28-D99 WeakPolarHBondContact CE-OD1 3.27Å; K28-D99 VanDerWaalsContact CE-OD2 3.32Å; K28-D99 WeakPolarHBondContact CE-OD2 3.41Å; K28-D99 IonicContact NZ-OD1 3.35Å; K28-D99 PolarHBondContact NZ-OD1 3.29Å; K28-D99 IonicContact NZ-OD2 3.26Å; K28-D99 PolarHBondContact NZ-OD2 3.26Å; Y49-D99 HydrophobicContact CE1-CB 4.44Å; Y49-D99 VanDerWaalsContact OH-CG 3.32Å; Y49-D99 PolarHBondContact OH-OD2 2.71Å; D95-D99 WeakPolarHBondContact O-CB 3.47Å; D95-D99 PolarHBondContact O-N 3.21Å; I96-D99 PolarHBondContact O-N 3.02Å; C97-D99 VanDerWaalsContact C-N 3.28Å; C97-D99 PolarHBondContact O-N 3.32Å; D99-L101 PolarHBondContact O-N 3.11Å; D99-N102 WeakPolarHBondContact O-CB 3.32Å; D99-N102 PolarHBondContact O-N 2.85Å; D99-V103 WeakPolarHBondContact O-CG2 3.42Å; D99-V103 PolarHBondContact O-N 3.35Å
100I98.5Very high98.5Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-66.1-38.3178.9-17756000112.7L45 Y49 I96 C97 N102 V103 L104 M124 Y128L45-I100 HydrophobicContact CD2-CD1 4.45Å; Y49-I100 HydrophobicContact CD1-CB 3.78Å; Y49-I100 HydrophobicContact CD1-CG1 4.38Å; Y49-I100 HydrophobicContact CD1-CG2 4.39Å; Y49-I100 HydrophobicContact CD2-CB 4.42Å; Y49-I100 HydrophobicContact CD2-CD1 3.73Å; Y49-I100 HydrophobicContact CD2-CG1 4.3Å; Y49-I100 HydrophobicContact CE1-CB 3.64Å; Y49-I100 HydrophobicContact CE1-CG2 4.48Å; Y49-I100 HydrophobicContact CE2-CB 4.28Å; Y49-I100 HydrophobicContact CE2-CD1 3.68Å; Y49-I100 HydrophobicContact CE2-CG1 4.41Å; Y49-I100 HydrophobicContact CG-CB 4.16Å; Y49-I100 HydrophobicContact CG-CD1 4.19Å; Y49-I100 HydrophobicContact CG-CG1 4.26Å; I96-I100 WeakPolarHBondContact O-CG2 3.45Å; I96-I100 PolarHBondContact O-N 3.34Å; C97-I100 WeakPolarHBondContact O-CG2 3.45Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 2.89Å; I100-V103 HydrophobicContact CD1-CB 4.41Å; I100-V103 PolarHBondContact O-N 3.21Å; I100-V103 VanDerWaalsContact O-N 3.12Å; I100-L104 HydrophobicContact CD1-CD1 4.3Å; I100-L104 HydrophobicContact CD1-CG 4Å; I100-L104 HydrophobicContact CG1-CD1 3.89Å; I100-L104 HydrophobicContact CG1-CG 4.12Å; I100-L104 WeakPolarHBondContact O-CB 3.26Å; I100-L104 VanDerWaalsContact O-CG 3.29Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 3.39Å; I100-M124 HydrophobicContact CD1-CE 3.81Å; I100-M124 HydrophobicContact CD1-SD 4.09Å; I100-M124 HydrophobicContact CG1-CE 3.81Å; I100-M124 HydrophobicContact CG1-SD 4.21Å; I100-Y128 HydrophobicContact CG1-CD2 4.26Å; I100-Y128 HydrophobicContact CG1-CE2 4.18Å; I100-Y128 HydrophobicContact CG2-CD1 3.32Å; I100-Y128 HydrophobicContact CG2-CD2 3.71Å; I100-Y128 HydrophobicContact CG2-CE1 3.59Å; I100-Y128 HydrophobicContact CG2-CE2 3.99Å; I100-Y128 HydrophobicContact CG2-CG 3.38Å
101L98.8Very high98.4Very high13 Ų1347.5 Ų47.57%0.06824%0.239CC..Hα-helixtrans-60.1-41.3176.2-71.9170.5000110.8C97 D99 L104 E105 K125 L132C97-L101 VanDerWaalsContact O-CB 3.25Å; C97-L101 WeakPolarHBondContact O-CB 3.43Å; C97-L101 WeakPolarHBondContact O-CD1 3.1Å; C97-L101 WeakPolarHBondContact O-CG 3.4Å; C97-L101 PolarHBondContact O-N 3.43Å; D99-L101 PolarHBondContact O-N 3.11Å; L101-L104 PolarHBondContact O-N 2.91Å; L101-E105 WeakPolarHBondContact O-CB 3.39Å; L101-E105 VanDerWaalsContact O-CG 3.29Å; L101-E105 WeakPolarHBondContact O-CG 3.45Å; L101-E105 PolarHBondContact O-N 3.36Å; L101-K125 HydrophobicContact CD2-CB 4.4Å; L101-K125 HydrophobicContact CD2-CG 3.83Å; L101-L132 HydrophobicContact CD1-CD1 3.77Å
102N98.6Very high98.3Very high67 Ų6742 Ų4236%0.35822%0.216SC..Hα-helixtrans-62.3-42.9173.6-84.8-64.6000112.5S98 D99 I100 K106S98-N102 WeakPolarHBondContact O-CB 3.43Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 PolarHBondContact O-ND2 2.87Å; D99-N102 WeakPolarHBondContact O-CB 3.32Å; D99-N102 PolarHBondContact O-N 2.85Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 2.89Å; N102-K106 VanDerWaalsContact O-CB 3.25Å; N102-K106 WeakPolarHBondContact O-CB 3.41Å; N102-K106 VanDerWaalsContact O-CG 3.3Å; N102-K106 WeakPolarHBondContact O-CG 3.29Å; N102-K106 PolarHBondContact O-N 3.48Å; N102-K106 WeakPolarHBondContact OD1-CE 3.48Å; N102-K106 PolarHBondContact OD1-NZ 3.24Å
103V98.6Very high98.2Very high11 Ų1142.9 Ų42.97%0.06723%0.227CC..Hα-helixtrans-64.1-43.9178.2174.20000111.1K28 A31 D99 I100 H107 L108K28-V103 HydrophobicContact CG-CG2 4.06Å; A31-V103 HydrophobicContact CB-CG1 3.65Å; D99-V103 WeakPolarHBondContact O-CG2 3.42Å; D99-V103 PolarHBondContact O-N 3.35Å; I100-V103 HydrophobicContact CD1-CB 4.41Å; I100-V103 PolarHBondContact O-N 3.21Å; I100-V103 VanDerWaalsContact O-N 3.12Å; V103-H107 WeakPolarHBondContact O-CB 3.24Å; V103-H107 PolarHBondContact O-N 3.08Å; V103-H107 VanDerWaalsContact O-N 3.08Å; V103-L108 HydrophobicContact CG1-CD1 3.77Å; V103-L108 HydrophobicContact CG1-CG 4.11Å; V103-L108 PolarHBondContact O-N 3.5Å
104L98.7Very high98.1Very high0 Ų045 Ų450%024%0.243CC..Iπ-helixtrans-60.8-49.8177.6-72.6167.7000111.4I100 L101 L108 I109 Y121 M124 K125I100-L104 HydrophobicContact CD1-CD1 4.3Å; I100-L104 HydrophobicContact CD1-CG 4Å; I100-L104 HydrophobicContact CG1-CD1 3.89Å; I100-L104 HydrophobicContact CG1-CG 4.12Å; I100-L104 WeakPolarHBondContact O-CB 3.26Å; I100-L104 VanDerWaalsContact O-CG 3.29Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 3.39Å; L101-L104 PolarHBondContact O-N 2.91Å; L104-L108 HydrophobicContact CD2-CB 4.4Å; L104-L108 HydrophobicContact CD2-CD1 3.94Å; L104-L108 PolarHBondContact O-N 3.3Å; L104-I109 HydrophobicContact CB-CD1 4.24Å; L104-I109 WeakPolarHBondContact O-CB 3.31Å; L104-I109 WeakPolarHBondContact O-CG1 3.26Å; L104-I109 PolarHBondContact O-N 3Å; L104-Y121 HydrophobicContact CD2-CD1 3.71Å; L104-Y121 HydrophobicContact CD2-CG 4.07Å; L104-M124 HydrophobicContact CD1-CB 4.2Å; L104-M124 HydrophobicContact CD1-CG 4.11Å; L104-M124 HydrophobicContact CD1-SD 4.39Å; L104-M124 HydrophobicContact CD2-CB 4.45Å; L104-M124 HydrophobicContact CD2-SD 4.1Å; L104-K125 HydrophobicContact CD1-CB 4.11Å
105E98.4Very high98Very high89 Ų8941.4 Ų41.442%0.41623%0.233SC..Iπ-helixtrans-71.9-39.1-175-71.4-178.2163.400113.4L101 P110 K125L101-E105 WeakPolarHBondContact O-CB 3.39Å; L101-E105 VanDerWaalsContact O-CG 3.29Å; L101-E105 WeakPolarHBondContact O-CG 3.45Å; L101-E105 PolarHBondContact O-N 3.36Å; E105-P110 WeakPolarHBondContact O-CD 3.35Å; E105-P110 WeakPolarHBondContact O-CG 3.15Å; E105-K125 WeakPolarHBondContact OE1-CE 3.37Å; E105-K125 IonicContact OE1-NZ 3.58Å; E105-K125 PolarHBondContact OE1-NZ 3.16Å
106K98.2Very high97.9Very high130 Ų13040.4 Ų40.457%0.56523%0.225SC*.Iπ-helixtrans-83.7-34.4-174.4-67.4177.4-176.91710113.2N102N102-K106 VanDerWaalsContact O-CB 3.25Å; N102-K106 WeakPolarHBondContact O-CB 3.41Å; N102-K106 VanDerWaalsContact O-CG 3.3Å; N102-K106 WeakPolarHBondContact O-CG 3.29Å; N102-K106 PolarHBondContact O-N 3.48Å; N102-K106 WeakPolarHBondContact OD1-CE 3.48Å; N102-K106 PolarHBondContact OD1-NZ 3.24Å
107H98.4Very high97.9Very high45 Ų4539.8 Ų39.821%0.20822%0.223CC..Iπ-helixtrans-122.9-50.5-166.6-56.6-61.1000112.8A31 D34 V103 C111A31-H107 WeakPolarHBondContact O-CB 3.49Å; D34-H107 IonicContact OD1-CE1 3.35Å; D34-H107 IonicContact OD1-CG 3.48Å; D34-H107 IonicContact OD1-ND1 3.79Å; D34-H107 PolarHBondContact OD1-ND1 3.22Å; D34-H107 IonicContact OD2-ND1 2.75Å; V103-H107 WeakPolarHBondContact O-CB 3.24Å; V103-H107 PolarHBondContact O-N 3.08Å; V103-H107 VanDerWaalsContact O-N 3.08Å; H107-C111 VanDerWaalsContact O-CB 3.3Å; H107-C111 WeakPolarHBondContact O-CB 3.5Å; H107-C111 PolarHBondContact O-N 3.48Å; H107-C111 PolarHBondContact O-SG 3.12Å
108L98.5Very high97.9Very high6 Ų643.2 Ų43.23%0.03124%0.238CC..Iπ-helixtrans-83.4-48.2-166-58.7174.7000114A31 L37 L45 V103 L104 C111 A112 Y121A31-L108 HydrophobicContact CB-CD2 3.75Å; A31-L108 HydrophobicContact CB-CG 4.25Å; L37-L108 HydrophobicContact CD1-CD2 3.6Å; L37-L108 HydrophobicContact CD2-CD2 4.45Å; L37-L108 HydrophobicContact CG-CD2 3.77Å; L45-L108 HydrophobicContact CD2-CD1 3.29Å; V103-L108 HydrophobicContact CG1-CD1 3.77Å; V103-L108 HydrophobicContact CG1-CG 4.11Å; V103-L108 PolarHBondContact O-N 3.5Å; L104-L108 HydrophobicContact CD2-CB 4.4Å; L104-L108 HydrophobicContact CD2-CD1 3.94Å; L104-L108 PolarHBondContact O-N 3.3Å; L108-C111 PolarHBondContact O-N 2.97Å; L108-A112 WeakPolarHBondContact O-CB 3.31Å; L108-A112 PolarHBondContact O-N 3.35Å; L108-Y121 HydrophobicContact CB-CD1 4.07Å; L108-Y121 HydrophobicContact CB-CD2 4.03Å; L108-Y121 HydrophobicContact CB-CE1 4.01Å; L108-Y121 HydrophobicContact CB-CE2 3.97Å; L108-Y121 HydrophobicContact CB-CG 4.11Å; L108-Y121 HydrophobicContact CD1-CD1 4.21Å; L108-Y121 HydrophobicContact CD1-CE1 3.94Å; L108-Y121 HydrophobicContact CG-CE1 4.39Å
109I98.4Very high97.9Very high30 Ų3041 Ų4115%0.15422%0.222CC..Hα-helixtrans-62-44.6178.1-67170.8000110.9L104 C111 A112 Y122 K125L104-I109 HydrophobicContact CB-CD1 4.24Å; L104-I109 WeakPolarHBondContact O-CB 3.31Å; L104-I109 WeakPolarHBondContact O-CG1 3.26Å; L104-I109 PolarHBondContact O-N 3Å; I109-C111 VanDerWaalsContact C-N 3.29Å; I109-C111 PolarHBondContact O-N 3.22Å; I109-A112 PolarHBondContact O-N 3.03Å; I109-Y122 HydrophobicContact CD1-CD1 4.35Å; I109-Y122 HydrophobicContact CD1-CE1 4.22Å; I109-Y122 HydrophobicContact CG2-CE1 4.46Å; I109-Y122 HydrophobicContact CG2-CE2 4.11Å; I109-K125 HydrophobicContact CD1-CD 4.14Å
110P98.1Very high97.9Very high88 Ų8839.7 Ų39.757%0.57121%0.214SC*.Hα-helixtrans-62.4-31.9176.5-25.636.6000114.4E105E105-P110 WeakPolarHBondContact O-CD 3.35Å; E105-P110 WeakPolarHBondContact O-CG 3.15Å
111C97Very high97.9Very high30 Ų3039.8 Ų39.820%0.20322%0.215CC..Hα-helixtrans-90.4-8.1-178.3-66.20000114D34 H107 L108 I109 T113D34-C111 PolarHBondContact O-SG 2.63Å; H107-C111 VanDerWaalsContact O-CB 3.3Å; H107-C111 WeakPolarHBondContact O-CB 3.5Å; H107-C111 PolarHBondContact O-N 3.48Å; H107-C111 PolarHBondContact O-SG 3.12Å; L108-C111 PolarHBondContact O-N 2.97Å; I109-C111 VanDerWaalsContact C-N 3.29Å; I109-C111 PolarHBondContact O-N 3.22Å; C111-T113 PolarHBondContact O-N 3.31Å
112A97.2Very high97.9Very high9 Ų942.4 Ų42.47%0.07422%0.224CC..  trans-72.1117-178.700000111.3L108 I109 K118 Y121L108-A112 WeakPolarHBondContact O-CB 3.31Å; L108-A112 PolarHBondContact O-N 3.35Å; I109-A112 PolarHBondContact O-N 3.03Å; A112-K118 HydrophobicContact CB-CG 3.75Å; A112-K118 WeakPolarHBondContact O-CE 3.5Å; A112-Y121 HydrophobicContact CB-CD2 3.8Å; A112-Y121 HydrophobicContact CB-CE2 3.89Å
113T96.1Very high97.9Very high101 Ų10140.3 Ų40.362%0.6221%0.212SC*.  trans-98.2-41.5-179.668.70000111.8E36 C111 K118E36-T113 VanDerWaalsContact CD-OG1 3.31Å; E36-T113 PolarHBondContact OE1-N 2.91Å; E36-T113 PolarHBondContact OE1-OG1 3.2Å; E36-T113 WeakPolarHBondContact OE2-CB 3.45Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.46Å; E36-T113 PolarHBondContact OE2-OG1 3.49Å; C111-T113 PolarHBondContact O-N 3.31Å; T113-K118 PolarHBondContact O-NZ 3.4Å
114S96.3Very high97.9Very high47 Ų4740.1 Ų40.133%0.32921%0.21SC..SBendtrans-77.4152.1-178.977.30000112.8E116 S117 K118S114-E116 VanDerWaalsContact C-N 3.27Å; S114-E116 PolarHBondContact O-N 2.69Å; S114-S117 PolarHBondContact O-N 3.34Å; S114-S117 VanDerWaalsContact OG-CB 3.29Å; S114-S117 WeakPolarHBondContact OG-CB 3.42Å; S114-S117 PolarHBondContact OG-N 3.16Å; S114-S117 PolarHBondContact OG-OG 3.31Å; S114-K118 WeakPolarHBondContact O-CG 3.38Å; S114-K118 PolarHBondContact O-N 3.44Å; S114-K118 VanDerWaalsContact O-N 3.13Å
115G96.9Very high97.9Very high11 Ų1141.7 Ų41.711%0.11322%0.217CC..Hα-helixtrans-57.3-43.7171.400000111.7S117 K118 V119 D162G115-S117 PolarHBondContact O-N 2.92Å; G115-K118 PolarHBondContact O-N 2.95Å; G115-V119 VanDerWaalsContact O-CG2 3.27Å; G115-V119 WeakPolarHBondContact O-CG2 3.47Å; G115-V119 PolarHBondContact O-N 3.26Å; G115-D162 WeakPolarHBondContact CA-OD2 3.4Å
116E96.6Very high97.9Very high57 Ų5737.4 Ų37.427%0.26620%0.197SC..Hα-helixtrans-56.5-51.9177.2-165.4-170.1126.800112.7R42 S114 K118 V119 F120 L163 H167 I169R42-E116 IonicContact CZ-OE1 3.91Å; R42-E116 IonicContact NH1-OE1 3.76Å; R42-E116 PolarHBondContact NH1-OE1 3.07Å; R42-E116 IonicContact NH2-OE1 3.98Å; R42-E116 PolarHBondContact NH2-OE1 3.43Å; S114-E116 VanDerWaalsContact C-N 3.27Å; S114-E116 PolarHBondContact O-N 2.69Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.3Å; E116-V119 PolarHBondContact O-N 2.82Å; E116-F120 WeakPolarHBondContact O-CB 3.26Å; E116-F120 PolarHBondContact O-N 3.3Å; E116-L163 HydrophobicContact CB-CD2 4.1Å; E116-L163 HydrophobicContact CG-CD2 4.35Å; E116-H167 IonicContact OE2-NE2 2.61Å; E116-I169 HydrophobicContact CG-CD1 3.44Å; E116-I169 VanDerWaalsContact CG-CD1 3.44Å
117S97.5Very high97.9Very high8 Ų831.5 Ų31.56%0.05617%0.172CC..Hα-helixtrans-58.3-43.8177.3-67.60000111.4E36 S114 G115 F120 Y121E36-S117 PolarHBondContact OE1-OG 3.47Å; S114-S117 PolarHBondContact O-N 3.34Å; S114-S117 VanDerWaalsContact OG-CB 3.29Å; S114-S117 WeakPolarHBondContact OG-CB 3.42Å; S114-S117 PolarHBondContact OG-N 3.16Å; S114-S117 PolarHBondContact OG-OG 3.31Å; G115-S117 PolarHBondContact O-N 2.92Å; S117-F120 PolarHBondContact O-N 3.33Å; S117-Y121 WeakPolarHBondContact O-CD2 3.37Å; S117-Y121 PolarHBondContact O-N 2.66Å
118K98.4Very high97.9Very high72 Ų7229.6 Ų29.631%0.31316%0.163SC..Hα-helixtrans-64.3-48.8179.8-70169.6-176164.30111.6A112 T113 S114 G115 E116 F120 Y121 Y122 I158A112-K118 HydrophobicContact CB-CG 3.75Å; A112-K118 WeakPolarHBondContact O-CE 3.5Å; T113-K118 PolarHBondContact O-NZ 3.4Å; S114-K118 WeakPolarHBondContact O-CG 3.38Å; S114-K118 PolarHBondContact O-N 3.44Å; S114-K118 VanDerWaalsContact O-N 3.13Å; G115-K118 PolarHBondContact O-N 2.95Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.3Å; K118-F120 VanDerWaalsContact C-N 3.28Å; K118-F120 PolarHBondContact O-N 3.03Å; K118-Y121 PolarHBondContact O-N 2.98Å; K118-Y122 HydrophobicContact CB-CD2 4.44Å; K118-Y122 WeakPolarHBondContact O-CB 3.48Å; K118-Y122 VanDerWaalsContact O-CD2 3.24Å; K118-Y122 WeakPolarHBondContact O-CD2 3.29Å; K118-Y122 PolarHBondContact O-N 3.42Å; K118-I158 HydrophobicContact CB-CD1 3.93Å; K118-I158 HydrophobicContact CB-CG2 4.4Å; K118-I158 HydrophobicContact CD-CD1 4.42Å
119V98.5Very high97.9Very high0 Ų030.1 Ų30.10%017%0.165CC..Hα-helixtrans-58.9-44.3178178.90000109.9G115 E116 Y121 K123 A155 I158 A159 L163 I169 L173G115-V119 VanDerWaalsContact O-CG2 3.27Å; G115-V119 WeakPolarHBondContact O-CG2 3.47Å; G115-V119 PolarHBondContact O-N 3.26Å; E116-V119 PolarHBondContact O-N 2.82Å; V119-Y121 PolarHBondContact O-N 2.74Å; V119-K123 WeakPolarHBondContact O-CB 3.24Å; V119-K123 PolarHBondContact O-N 2.92Å; V119-A155 HydrophobicContact CG1-CB 4.41Å; V119-I158 HydrophobicContact CG2-CB 3.82Å; V119-I158 HydrophobicContact CG2-CG2 3.59Å; V119-A159 HydrophobicContact CG1-CB 3.87Å; V119-A159 HydrophobicContact CG2-CB 3.8Å; V119-L163 HydrophobicContact CB-CD1 4.01Å; V119-L163 HydrophobicContact CG1-CD1 4.02Å; V119-L163 HydrophobicContact CG2-CD1 3.9Å; V119-I169 HydrophobicContact CB-CG2 4.15Å; V119-I169 HydrophobicContact CG1-CG2 3.63Å; V119-L173 HydrophobicContact CG1-CD2 4.05Å
120F98Very high97.9Very high20 Ų2028.7 Ų28.79%0.08816%0.157CC..Hα-helixtrans-57.1-51.6177.8-169.3-83.8000112.2R42 E116 S117 K118 K123 M124 I169R42-F120 HydrophobicContact CG-CD1 3.6Å; R42-F120 HydrophobicContact CG-CD2 4.49Å; R42-F120 HydrophobicContact CG-CE1 3.42Å; R42-F120 VanDerWaalsContact CG-CE1 3.42Å; R42-F120 HydrophobicContact CG-CE2 4.34Å; R42-F120 HydrophobicContact CG-CG 4.14Å; R42-F120 HydrophobicContact CG-CZ 3.82Å; E116-F120 WeakPolarHBondContact O-CB 3.26Å; E116-F120 PolarHBondContact O-N 3.3Å; S117-F120 PolarHBondContact O-N 3.33Å; K118-F120 VanDerWaalsContact C-N 3.28Å; K118-F120 PolarHBondContact O-N 3.03Å; F120-K123 PolarHBondContact O-N 2.9Å; F120-M124 HydrophobicContact CE1-SD 4.46Å; F120-M124 WeakPolarHBondContact O-CB 3.14Å; F120-M124 PolarHBondContact O-N 3.13Å; F120-I169 HydrophobicContact CB-CD1 4.4Å; F120-I169 HydrophobicContact CD2-CD1 3.85Å; F120-I169 HydrophobicContact CD2-CG1 4.21Å
121Y98.6Very high97.9Very high2 Ų224.6 Ų24.61%0.00813%0.131CC..Hα-helixtrans-71.4-37.1-177.6-61.2-42.6000113.4R42 L104 L108 A112 S117 K118 V119 M124 K125R42-Y121 HydrophobicContact CG-CE1 3.95Å; L104-Y121 HydrophobicContact CD2-CD1 3.71Å; L104-Y121 HydrophobicContact CD2-CG 4.07Å; L108-Y121 HydrophobicContact CB-CD1 4.07Å; L108-Y121 HydrophobicContact CB-CD2 4.03Å; L108-Y121 HydrophobicContact CB-CE1 4.01Å; L108-Y121 HydrophobicContact CB-CE2 3.97Å; L108-Y121 HydrophobicContact CB-CG 4.11Å; L108-Y121 HydrophobicContact CD1-CD1 4.21Å; L108-Y121 HydrophobicContact CD1-CE1 3.94Å; L108-Y121 HydrophobicContact CG-CE1 4.39Å; A112-Y121 HydrophobicContact CB-CD2 3.8Å; A112-Y121 HydrophobicContact CB-CE2 3.89Å; S117-Y121 WeakPolarHBondContact O-CD2 3.37Å; S117-Y121 PolarHBondContact O-N 2.66Å; K118-Y121 PolarHBondContact O-N 2.98Å; V119-Y121 PolarHBondContact O-N 2.74Å; Y121-M124 PolarHBondContact O-N 3.44Å; Y121-K125 WeakPolarHBondContact O-CB 3.18Å; Y121-K125 PolarHBondContact O-N 3.44Å
122Y98.8Very high98Very high67 Ų6724.2 Ų24.226%0.26313%0.126SC..Hα-helixtrans-70-37.6174.7-81.6-68.7000112.2I109 K118 K125 G126 A154 I158I109-Y122 HydrophobicContact CD1-CD1 4.35Å; I109-Y122 HydrophobicContact CD1-CE1 4.22Å; I109-Y122 HydrophobicContact CG2-CE1 4.46Å; I109-Y122 HydrophobicContact CG2-CE2 4.11Å; K118-Y122 HydrophobicContact CB-CD2 4.44Å; K118-Y122 WeakPolarHBondContact O-CB 3.48Å; K118-Y122 VanDerWaalsContact O-CD2 3.24Å; K118-Y122 WeakPolarHBondContact O-CD2 3.29Å; K118-Y122 PolarHBondContact O-N 3.42Å; Y122-K125 PolarHBondContact O-N 2.91Å; Y122-G126 PolarHBondContact O-N 3.15Å; Y122-A154 HydrophobicContact CD1-CB 3.97Å; Y122-A154 HydrophobicContact CE1-CB 4.14Å; Y122-A154 HydrophobicContact CG-CB 4.23Å; Y122-I158 HydrophobicContact CD2-CD1 4.04Å; Y122-I158 HydrophobicContact CE2-CD1 4.14Å
123K98.4Very high98Very high23 Ų2323.8 Ų23.810%0.112%0.123CC..Hα-helixtrans-57.6-52.4170.5179.5-168.7173.4-68.80109.9V119 F120 K125 G126 D127 G172 L173 N176V119-K123 WeakPolarHBondContact O-CB 3.24Å; V119-K123 PolarHBondContact O-N 2.92Å; F120-K123 PolarHBondContact O-N 2.9Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 2.92Å; K123-G126 CarbonylContact O-C 3.58Å; K123-G126 WeakPolarHBondContact O-CA 3.37Å; K123-G126 PolarHBondContact O-N 3.48Å; K123-D127 IonicContact NZ-OD2 2.69Å; K123-D127 PolarHBondContact NZ-OD2 2.88Å; K123-D127 VanDerWaalsContact O-CG 3.25Å; K123-D127 PolarHBondContact O-N 2.73Å; K123-G172 WeakPolarHBondContact CE-O 3.41Å; K123-L173 HydrophobicContact CB-CD1 4.1Å; K123-L173 HydrophobicContact CD-CB 4.11Å; K123-L173 HydrophobicContact CG-CB 4.28Å; K123-L173 HydrophobicContact CG-CD1 4.04Å; K123-N176 PolarHBondContact NZ-ND2 3.07Å
124M98.2Very high98Very high8 Ų820.7 Ų20.74%0.03910%0.102CC..Hα-helixtrans-57.7-44.1178.4-164.3178.4-165.100111.3I100 L104 F120 Y121 G126 D127 Y128I100-M124 HydrophobicContact CD1-CE 3.81Å; I100-M124 HydrophobicContact CD1-SD 4.09Å; I100-M124 HydrophobicContact CG1-CE 3.81Å; I100-M124 HydrophobicContact CG1-SD 4.21Å; L104-M124 HydrophobicContact CD1-CB 4.2Å; L104-M124 HydrophobicContact CD1-CG 4.11Å; L104-M124 HydrophobicContact CD1-SD 4.39Å; L104-M124 HydrophobicContact CD2-CB 4.45Å; L104-M124 HydrophobicContact CD2-SD 4.1Å; F120-M124 HydrophobicContact CE1-SD 4.46Å; F120-M124 WeakPolarHBondContact O-CB 3.14Å; F120-M124 PolarHBondContact O-N 3.13Å; Y121-M124 PolarHBondContact O-N 3.44Å; M124-G126 VanDerWaalsContact C-N 3.31Å; M124-G126 PolarHBondContact O-N 3.31Å; M124-D127 WeakPolarHBondContact O-CB 3.34Å; M124-D127 PolarHBondContact O-N 2.91Å; M124-D127 VanDerWaalsContact O-N 3.16Å; M124-Y128 HydrophobicContact CE-CE2 3.7Å; M124-Y128 HydrophobicContact CG-CD2 3.85Å; M124-Y128 HydrophobicContact CG-CE2 3.72Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.4Å; M124-Y128 PolarHBondContact O-N 3.38Å
125K98.7Very high98Very high32 Ų3219.1 Ų19.114%0.1399%0.089CC..Hα-helixtrans-57.5-43.3173.5179.9170.5174.3166.60112L101 L104 E105 I109 Y121 Y122 K123 H129 A151L101-K125 HydrophobicContact CD2-CB 4.4Å; L101-K125 HydrophobicContact CD2-CG 3.83Å; L104-K125 HydrophobicContact CD1-CB 4.11Å; E105-K125 WeakPolarHBondContact OE1-CE 3.37Å; E105-K125 IonicContact OE1-NZ 3.58Å; E105-K125 PolarHBondContact OE1-NZ 3.16Å; I109-K125 HydrophobicContact CD1-CD 4.14Å; Y121-K125 WeakPolarHBondContact O-CB 3.18Å; Y121-K125 PolarHBondContact O-N 3.44Å; Y122-K125 PolarHBondContact O-N 2.91Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 2.92Å; K125-H129 PolarHBondContact O-CD2 2.96Å; K125-H129 PolarHBondContact O-N 3.16Å; K125-H129 VanDerWaalsContact O-N 3.14Å; K125-A151 HydrophobicContact CB-CB 4.07Å; K125-A151 HydrophobicContact CD-CB 4.23Å; K125-A151 HydrophobicContact CG-CB 3.83Å
126G98.7Very high98Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-59-45.6174.300000112.6Y122 K123 M124 H129 R130 S148 Y152Y122-G126 PolarHBondContact O-N 3.15Å; K123-G126 CarbonylContact O-C 3.58Å; K123-G126 WeakPolarHBondContact O-CA 3.37Å; K123-G126 PolarHBondContact O-N 3.48Å; M124-G126 VanDerWaalsContact C-N 3.31Å; M124-G126 PolarHBondContact O-N 3.31Å; G126-H129 PolarHBondContact O-N 2.97Å; G126-R130 WeakPolarHBondContact O-CB 3.48Å; G126-R130 PolarHBondContact O-N 3.48Å; G126-S148 PolarHBondContact O-OG 3.16Å; G126-Y152 VanDerWaalsContact C-CZ 3.44Å
127D98.4Very high98Very high5 Ų521.7 Ų21.73%0.02711%0.108CC..Hα-helixtrans-61.5-49.4179.5-62.7-32.3000111.8K123 M124 H129 R130 Y131 Y152 N176K123-D127 IonicContact NZ-OD2 2.69Å; K123-D127 PolarHBondContact NZ-OD2 2.88Å; K123-D127 VanDerWaalsContact O-CG 3.25Å; K123-D127 PolarHBondContact O-N 2.73Å; M124-D127 WeakPolarHBondContact O-CB 3.34Å; M124-D127 PolarHBondContact O-N 2.91Å; M124-D127 VanDerWaalsContact O-N 3.16Å; D127-H129 PolarHBondContact O-N 2.92Å; D127-R130 WeakPolarHBondContact O-CA 3.33Å; D127-R130 VanDerWaalsContact O-CB 3.29Å; D127-R130 WeakPolarHBondContact O-CB 3.29Å; D127-R130 PolarHBondContact O-N 2.91Å; D127-R130 IonicContact OD1-NH2 3.66Å; D127-Y131 HydrophobicContact CB-CE2 4.46Å; D127-Y131 WeakPolarHBondContact O-CD1 3.48Å; D127-Y131 WeakPolarHBondContact O-CD2 3.23Å; D127-Y131 VanDerWaalsContact O-CG 3.29Å; D127-Y131 PolarHBondContact O-N 2.92Å; D127-Y152 WeakPolarHBondContact CA-OH 3.48Å; D127-Y152 PolarHBondContact N-OH 2.65Å; D127-Y152 WeakPolarHBondContact OD1-CE1 3.33Å; D127-Y152 PolarHBondContact OD1-OH 2.71Å; D127-N176 VanDerWaalsContact OD1-CB 3.26Å; D127-N176 WeakPolarHBondContact OD1-CB 3.4Å; D127-N176 PolarHBondContact OD1-ND2 3.07Å; D127-N176 PolarHBondContact OD2-ND2 2.86Å; D127-N176 VanDerWaalsContact OD2-ND2 3.1Å
128Y98.5Very high97.9Very high5 Ų524.3 Ų24.32%0.0214%0.136CC..Hα-helixtrans-70.1-31.9-179.2-78.5-85.3000113.5Y49 I53 I96 C97 I100 M124 Y131 L132Y49-Y128 VanDerWaalsContact CB-OH 3.28Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.28Å; Y49-Y128 PolarHBondContact O-OH 2.77Å; Y49-Y128 VanDerWaalsContact O-OH 3.14Å; I53-Y128 HydrophobicContact CB-CE1 3.91Å; I53-Y128 HydrophobicContact CD1-CE1 4.16Å; I53-Y128 HydrophobicContact CG1-CD1 4.48Å; I53-Y128 HydrophobicContact CG1-CE1 3.88Å; I53-Y128 HydrophobicContact CG2-CE1 3.94Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.45Å; I96-Y128 HydrophobicContact CG2-CE1 4.47Å; C97-Y128 HydrophobicContact CB-CD1 4.23Å; I100-Y128 HydrophobicContact CG1-CD2 4.26Å; I100-Y128 HydrophobicContact CG1-CE2 4.18Å; I100-Y128 HydrophobicContact CG2-CD1 3.32Å; I100-Y128 HydrophobicContact CG2-CD2 3.71Å; I100-Y128 HydrophobicContact CG2-CE1 3.59Å; I100-Y128 HydrophobicContact CG2-CE2 3.99Å; I100-Y128 HydrophobicContact CG2-CG 3.38Å; M124-Y128 HydrophobicContact CE-CE2 3.7Å; M124-Y128 HydrophobicContact CG-CD2 3.85Å; M124-Y128 HydrophobicContact CG-CE2 3.72Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.4Å; M124-Y128 PolarHBondContact O-N 3.38Å; Y128-Y131 AromaticContact CD1-CD2 3.66Å; Y128-Y131 HydrophobicContact CD1-CD2 3.66Å; Y128-Y131 AromaticContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD2-CE2 4.24Å; Y128-Y131 HydrophobicContact CE1-CD2 4.05Å; Y128-Y131 AromaticContact CE1-CE2 3.78Å; Y128-Y131 HydrophobicContact CE1-CE2 3.78Å; Y128-Y131 HydrophobicContact CE2-CE2 4.25Å; Y128-Y131 HydrophobicContact CG-CD2 4.08Å; Y128-Y131 AromaticContact CG-CE2 3.96Å; Y128-Y131 HydrophobicContact CG-CE2 3.96Å; Y128-L132 WeakPolarHBondContact O-CG 3.47Å; Y128-L132 PolarHBondContact O-N 3.4Å
129H98.8Very high97.9Very high17 Ų1724.7 Ų24.78%0.07915%0.147CC..Hα-helixtrans-69.7-34.2168.3-80.3-63.3000112.6K125 G126 D127 L132 A133 N147K125-H129 PolarHBondContact O-CD2 2.96Å; K125-H129 PolarHBondContact O-N 3.16Å; K125-H129 VanDerWaalsContact O-N 3.14Å; G126-H129 PolarHBondContact O-N 2.97Å; D127-H129 PolarHBondContact O-N 2.92Å; H129-L132 PolarHBondContact O-N 3.33Å; H129-A133 PolarHBondContact O-N 3.5Å; H129-N147 HydrophobicContact CB-CB 4.39Å
130R98.3Very high97.8Very high0 Ų028.3 Ų28.30%017%0.167CC..Hα-helixtrans-60.3-46.7173169176.365.297.3-2.1110.3G126 D127 L132 A133 E134 Y152 F180 I184 D254 E256G126-R130 WeakPolarHBondContact O-CB 3.48Å; G126-R130 PolarHBondContact O-N 3.48Å; D127-R130 WeakPolarHBondContact O-CA 3.33Å; D127-R130 VanDerWaalsContact O-CB 3.29Å; D127-R130 WeakPolarHBondContact O-CB 3.29Å; D127-R130 PolarHBondContact O-N 2.91Å; D127-R130 IonicContact OD1-NH2 3.66Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.36Å; R130-A133 WeakPolarHBondContact O-CA 3.46Å; R130-A133 WeakPolarHBondContact O-CB 3.45Å; R130-A133 PolarHBondContact O-N 2.84Å; R130-E134 IonicContact NH1-OE1 2.8Å; R130-E134 PolarHBondContact O-N 2.53Å; R130-E134 VanDerWaalsContact O-N 3.14Å; R130-Y152 PolarHBondContact NE-OH 3.1Å; R130-F180 HydrophobicContact CB-CD2 4.24Å; R130-F180 HydrophobicContact CG-CD2 4.28Å; R130-I184 HydrophobicContact CG-CD1 4.37Å; R130-I184 HydrophobicContact CG-CG1 3.9Å; R130-D254 IonicContact CZ-OD2 2.74Å; R130-D254 IonicContact NH1-OD2 3.45Å; R130-D254 PolarHBondContact NH1-OD2 3.38Å; R130-D254 IonicContact NH2-OD2 3.82Å; R130-D254 PolarHBondContact NH2-OD2 3.43Å; R130-E256 IonicContact CZ-OE2 3.01Å; R130-E256 IonicContact NH2-OE1 3.88Å; R130-E256 PolarHBondContact NH2-OE1 2.85Å; R130-E256 VanDerWaalsContact NH2-OE1 3.16Å; R130-E256 IonicContact NH2-OE2 2.87Å; R130-E256 PolarHBondContact NH2-OE2 3.36Å
131Y97.9Very high97.8Very high2 Ų231.9 Ų31.91%0.00818%0.18CC..Hα-helixtrans-61.6-41.4177.1-48.6-34.5000112.7I53 R57 D127 Y128 A133 E134 F135 E256I53-Y131 HydrophobicContact CD1-CD2 4.46Å; I53-Y131 HydrophobicContact CG1-CD2 3.82Å; I53-Y131 HydrophobicContact CG1-CE2 4.06Å; I53-Y131 HydrophobicContact CG2-CE2 4.07Å; R57-Y131 VanDerWaalsContact CZ-CE1 3.4Å; D127-Y131 HydrophobicContact CB-CE2 4.46Å; D127-Y131 WeakPolarHBondContact O-CD1 3.48Å; D127-Y131 WeakPolarHBondContact O-CD2 3.23Å; D127-Y131 VanDerWaalsContact O-CG 3.29Å; D127-Y131 PolarHBondContact O-N 2.92Å; Y128-Y131 AromaticContact CD1-CD2 3.66Å; Y128-Y131 HydrophobicContact CD1-CD2 3.66Å; Y128-Y131 AromaticContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD2-CE2 4.24Å; Y128-Y131 HydrophobicContact CE1-CD2 4.05Å; Y128-Y131 AromaticContact CE1-CE2 3.78Å; Y128-Y131 HydrophobicContact CE1-CE2 3.78Å; Y128-Y131 HydrophobicContact CE2-CE2 4.25Å; Y128-Y131 HydrophobicContact CG-CD2 4.08Å; Y128-Y131 AromaticContact CG-CE2 3.96Å; Y128-Y131 HydrophobicContact CG-CE2 3.96Å; Y131-A133 PolarHBondContact O-N 3.37Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.5Å; Y131-E134 WeakPolarHBondContact O-CB 3.35Å; Y131-E134 PolarHBondContact O-N 3.16Å; Y131-F135 WeakPolarHBondContact O-CD1 3.41Å; Y131-F135 WeakPolarHBondContact O-CE1 3.45Å; Y131-E256 WeakPolarHBondContact CE1-OE2 3.5Å; Y131-E256 WeakPolarHBondContact OH-CG 3.49Å; Y131-E256 PolarHBondContact OH-OE1 3.44Å; Y131-E256 PolarHBondContact OH-OE2 3.03Å
132L98.5Very high97.8Very high22 Ų2237.9 Ų37.912%0.11521%0.206CC..Hα-helixtrans-56.3-40173.7-73.2174.2000110.9R94 C97 L101 Y128 H129 R130 E134 F135 A136 A144R94-L132 HydrophobicContact CB-CD2 4.39Å; R94-L132 HydrophobicContact CG-CD2 4.12Å; C97-L132 HydrophobicContact CB-CD1 4.03Å; C97-L132 HydrophobicContact CB-CD2 3.63Å; C97-L132 HydrophobicContact CB-CG 3.68Å; L101-L132 HydrophobicContact CD1-CD1 3.77Å; Y128-L132 WeakPolarHBondContact O-CG 3.47Å; Y128-L132 PolarHBondContact O-N 3.4Å; H129-L132 PolarHBondContact O-N 3.33Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.36Å; L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 2.91Å; L132-F135 HydrophobicContact CD2-CE1 4.31Å; L132-F135 HydrophobicContact CD2-CZ 3.76Å; L132-A136 WeakPolarHBondContact O-CB 3.44Å; L132-A136 PolarHBondContact O-N 3.32Å; L132-A144 HydrophobicContact CB-CB 3.84Å
133A98.3Very high97.8Very high1 Ų138.5 Ų38.51%0.00821%0.214CC..Hα-helixtrans-71-19.6178.400000114.3H129 R130 Y131 A144 A145 I184H129-A133 PolarHBondContact O-N 3.5Å; R130-A133 WeakPolarHBondContact O-CA 3.46Å; R130-A133 WeakPolarHBondContact O-CB 3.45Å; R130-A133 PolarHBondContact O-N 2.84Å; Y131-A133 PolarHBondContact O-N 3.37Å; A133-A144 HydrophobicContact CB-CB 3.88Å; A133-A145 HydrophobicContact CB-CB 4.42Å; A133-I184 HydrophobicContact CB-CD1 4.13Å; A133-I184 HydrophobicContact CB-CG1 4.44Å; A133-I184 HydrophobicContact CB-CG2 3.74Å
134E96.4Very high97.8Very high36 Ų3637.8 Ų37.817%0.16821%0.212CC..Hα-helixtrans-63.9-40.5177.8-68.3174.3-164.500111.8R57 W60 R130 Y131 L132 I184R57-E134 IonicContact CZ-OE1 2.65Å; R57-E134 IonicContact CZ-OE2 3.43Å; R57-E134 IonicContact NE-OE1 2.66Å; R57-E134 PolarHBondContact NE-OE1 2.74Å; R57-E134 IonicContact NE-OE2 2.86Å; R57-E134 PolarHBondContact NE-OE2 2.85Å; R57-E134 IonicContact NH2-OE1 2.76Å; R57-E134 PolarHBondContact NH2-OE1 3.02Å; R57-E134 IonicContact NH2-OE2 3.56Å; W60-E134 HydrophobicContact CH2-CB 4.18Å; W60-E134 WeakPolarHBondContact CH2-O 3.43Å; W60-E134 HydrophobicContact CZ3-CB 4.18Å; R130-E134 IonicContact NH1-OE1 2.8Å; R130-E134 PolarHBondContact O-N 2.53Å; R130-E134 VanDerWaalsContact O-N 3.14Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.5Å; Y131-E134 WeakPolarHBondContact O-CB 3.35Å; Y131-E134 PolarHBondContact O-N 3.16Å; L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 2.91Å; E134-I184 HydrophobicContact CG-CD1 4.05Å
135F95.8Very high97.8Very high14 Ų1437.8 Ų37.86%0.06121%0.213CC..Hα-helixtrans-115.1-13.3-174.565.7-92.2000114.3W60 E90 L93 R94 Y131 L132W60-F135 HydrophobicContact CD2-CB 4.42Å; W60-F135 HydrophobicContact CH2-CB 4.17Å; W60-F135 HydrophobicContact CZ2-CB 3.44Å; W60-F135 VanDerWaalsContact CZ2-CB 3.44Å; E90-F135 HydrophobicContact CB-CD2 3.87Å; E90-F135 HydrophobicContact CB-CE2 4.17Å; E90-F135 HydrophobicContact CG-CB 4.09Å; E90-F135 HydrophobicContact CG-CD2 3.82Å; E90-F135 HydrophobicContact CG-CG 4.15Å; E90-F135 WeakPolarHBondContact O-CE2 3.31Å; L93-F135 HydrophobicContact CB-CD1 4.45Å; L93-F135 HydrophobicContact CB-CE1 3.69Å; L93-F135 HydrophobicContact CB-CZ 3.76Å; L93-F135 HydrophobicContact CD1-CD1 4.02Å; L93-F135 HydrophobicContact CD1-CE1 4.07Å; L93-F135 HydrophobicContact CG-CE1 4.46Å; R94-F135 HydrophobicContact CB-CE2 4.3Å; R94-F135 HydrophobicContact CB-CZ 4.16Å; Y131-F135 WeakPolarHBondContact O-CD1 3.41Å; Y131-F135 WeakPolarHBondContact O-CE1 3.45Å; L132-F135 HydrophobicContact CD2-CE1 4.31Å; L132-F135 HydrophobicContact CD2-CZ 3.76Å
136A97.5Very high97.8Very high9 Ų940.6 Ų40.67%0.07423%0.227CC..  trans-68.4157.4174.900000112.1L132 D140 R141L132-A136 WeakPolarHBondContact O-CB 3.44Å; L132-A136 PolarHBondContact O-N 3.32Å; A136-D140 HydrophobicContact CB-CB 3.97Å; A136-R141 HydrophobicContact CB-CB 4.07Å; A136-R141 WeakPolarHBondContact O-CB 3.42Å
137T95.7Very high97.8Very high113 Ų11343.5 Ų43.569%0.69324%0.243SC*.  trans-129.3158.4178.563.10000111.2S139 D140 R141T137-S139 PolarHBondContact O-N 3.1Å; T137-D140 PolarHBondContact O-N 3.36Å; T137-R141 PolarHBondContact O-N 3.36Å
138G96.1Very high97.9Very high63 Ų6343.3 Ų43.365%0.64924%0.241SC*.Hα-helixtrans61-132.2173.400000113.6R141 K142G138-R141 PolarHBondContact O-N 2.86Å; G138-K142 PolarHBondContact O-N 2.99Å
139S97.7Very high97.9Very high79 Ų7944.9 Ų44.955%0.55225%0.25SS*.Hα-helixtrans-61.2-43.3179.148.10000112.4T137 R141 K142 D143T137-S139 PolarHBondContact O-N 3.1Å; S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 3.37Å; S139-K142 WeakPolarHBondContact O-CA 3.39Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.16Å; S139-D143 PolarHBondContact O-N 2.89Å
140D97.3Very high97.9Very high76 Ų7649.3 Ų49.341%0.40627%0.273SS..Hα-helixtrans-59.4-39.5-178-68.914.4000111.4R94 A136 T137 A144R94-D140 IonicContact NH1-OD2 3.43Å; R94-D140 PolarHBondContact NH1-OD2 2.78Å; A136-D140 HydrophobicContact CB-CB 3.97Å; T137-D140 PolarHBondContact O-N 3.36Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.23Å; D140-A144 PolarHBondContact O-N 3.36Å
141R98.1Very high97.9Very high96 Ų9649.4 Ų49.436%0.36227%0.274SS..Hα-helixtrans-63.9-43.4176-170.7-179.4174.5-81.5-1.6111.4A136 T137 G138 S139 A145 I184A136-R141 HydrophobicContact CB-CB 4.07Å; A136-R141 WeakPolarHBondContact O-CB 3.42Å; T137-R141 PolarHBondContact O-N 3.36Å; G138-R141 PolarHBondContact O-N 2.86Å; S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 3.37Å; R141-A145 WeakPolarHBondContact O-CB 3.25Å; R141-A145 PolarHBondContact O-N 2.87Å; R141-I184 PolarHBondContact NH2-O 3.09Å
142K98.2Very high97.9Very high127 Ų12749.3 Ų49.355%0.55227%0.273SS*.Hα-helixtrans-64.3-47.5179.8-177.2-179.7169.3-175.20110.5G138 S139 A144 A145 E146G138-K142 PolarHBondContact O-N 2.99Å; S139-K142 WeakPolarHBondContact O-CA 3.39Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.16Å; K142-A144 PolarHBondContact O-N 3.45Å; K142-A145 PolarHBondContact O-N 2.99Å; K142-E146 WeakPolarHBondContact CE-OE1 3.31Å; K142-E146 HydrophobicContact CG-CG 4.5Å; K142-E146 IonicContact NZ-OE1 3.37Å; K142-E146 WeakPolarHBondContact O-CB 3.45Å; K142-E146 WeakPolarHBondContact O-CG 3.21Å; K142-E146 PolarHBondContact O-N 2.83Å
143D98.4Very high97.9Very high81 Ų8153.2 Ų53.243%0.43329%0.289SS..Hα-helixtrans-63.3-42.6179.7-65.1-11.3000111.1S139 E146 N147S139-D143 PolarHBondContact O-N 2.89Å; D143-E146 PolarHBondContact O-N 3.42Å; D143-N147 WeakPolarHBondContact O-CB 3.24Å; D143-N147 PolarHBondContact O-N 3.38Å; D143-N147 PolarHBondContact O-ND2 3.22Å
144A98.6Very high97.9Very high8 Ų854.5 Ų54.57%0.06630%0.3CS..Hα-helixtrans-61.8-46.3174.900000111.9L132 A133 D140 K142 E146 N147 S148L132-A144 HydrophobicContact CB-CB 3.84Å; A133-A144 HydrophobicContact CB-CB 3.88Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.23Å; D140-A144 PolarHBondContact O-N 3.36Å; K142-A144 PolarHBondContact O-N 3.45Å; A144-E146 PolarHBondContact O-N 3.12Å; A144-N147 PolarHBondContact O-N 3.37Å; A144-S148 WeakPolarHBondContact O-CB 3.41Å; A144-S148 PolarHBondContact O-N 3.08Å
145A98.6Very high98Very high8 Ų852.8 Ų52.87%0.06629%0.292CS..Hα-helixtrans-63.8-40.4177.800000112.6A133 R141 K142 S148 L149 F180 I184 L185A133-A145 HydrophobicContact CB-CB 4.42Å; R141-A145 WeakPolarHBondContact O-CB 3.25Å; R141-A145 PolarHBondContact O-N 2.87Å; K142-A145 PolarHBondContact O-N 2.99Å; A145-S148 PolarHBondContact O-N 3.41Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 PolarHBondContact O-N 3.14Å; A145-F180 HydrophobicContact CB-CE2 4.42Å; A145-F180 WeakPolarHBondContact O-CZ 3.47Å; A145-I184 HydrophobicContact CB-CG2 3.76Å; A145-L185 HydrophobicContact CB-CD2 4.47Å
146E98.6Very high98.2Very high91 Ų9152.9 Ų52.943%0.42530%0.295SS..Hα-helixtrans-64.6-46176.7-75.3179.2-175.800111.6K142 D143 A144 S148 L149 I150K142-E146 WeakPolarHBondContact CE-OE1 3.31Å; K142-E146 HydrophobicContact CG-CG 4.5Å; K142-E146 IonicContact NZ-OE1 3.37Å; K142-E146 WeakPolarHBondContact O-CB 3.45Å; K142-E146 WeakPolarHBondContact O-CG 3.21Å; K142-E146 PolarHBondContact O-N 2.83Å; D143-E146 PolarHBondContact O-N 3.42Å; A144-E146 PolarHBondContact O-N 3.12Å; E146-S148 PolarHBondContact O-N 2.91Å; E146-L149 PolarHBondContact O-N 3.09Å; E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.21Å; E146-I150 PolarHBondContact O-N 2.84Å
147N98.7Very high98.2Very high61 Ų6157.4 Ų57.433%0.32632%0.318SS..Hα-helixtrans-65.3-38.8177.1-78.2-70.8000112.6H129 D143 A144 I150 A151H129-N147 HydrophobicContact CB-CB 4.39Å; D143-N147 WeakPolarHBondContact O-CB 3.24Å; D143-N147 PolarHBondContact O-N 3.38Å; D143-N147 PolarHBondContact O-ND2 3.22Å; A144-N147 PolarHBondContact O-N 3.37Å; N147-I150 PolarHBondContact O-N 3.3Å; N147-A151 WeakPolarHBondContact O-CB 3.4Å; N147-A151 PolarHBondContact O-N 3.43Å
148S98.8Very high98.3Very high0 Ų053.8 Ų53.80%029%0.294CS..Hα-helixtrans-59.8-48.7173.7-175.30000111.1G126 A144 A145 E146 I150 A151 Y152 F180G126-S148 PolarHBondContact O-OG 3.16Å; A144-S148 WeakPolarHBondContact O-CB 3.41Å; A144-S148 PolarHBondContact O-N 3.08Å; A145-S148 PolarHBondContact O-N 3.41Å; E146-S148 PolarHBondContact O-N 2.91Å; S148-I150 PolarHBondContact O-N 3.39Å; S148-A151 PolarHBondContact O-N 2.84Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.48Å; S148-Y152 PolarHBondContact O-N 2.93Å; S148-Y152 WeakPolarHBondContact OG-CD2 3.3Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.14Å; S148-F180 WeakPolarHBondContact OG-CD2 3.25Å; S148-F180 WeakPolarHBondContact OG-CE2 3.31Å
149L98.7Very high98.5Very high39 Ų3950.9 Ų50.920%0.20426%0.263CS..Hα-helixtrans-60.6-42.4177.5179.562.1000112.6A145 E146 K153 F177 F180 Y181A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 PolarHBondContact O-N 3.14Å; E146-L149 PolarHBondContact O-N 3.09Å; L149-K153 HydrophobicContact CD1-CD 4.2Å; L149-K153 HydrophobicContact CD1-CG 4.3Å; L149-K153 HydrophobicContact CG-CD 4.27Å; L149-K153 WeakPolarHBondContact O-CB 3.25Å; L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 3.5Å; L149-K153 PolarHBondContact O-N 2.82Å; L149-F177 HydrophobicContact CD1-CE2 3.78Å; L149-F177 HydrophobicContact CD1-CZ 3.8Å; L149-F180 HydrophobicContact CB-CE1 3.96Å; L149-F180 HydrophobicContact CB-CZ 3.96Å; L149-F180 HydrophobicContact CD1-CE1 4.03Å; L149-Y181 HydrophobicContact CD1-CE1 4.38Å
150I98.7Very high98.4Very high110 Ų11052.9 Ų52.956%0.56427%0.266SS*.Hα-helixtrans-61.7-47.2177.2-71164.7000110.2E146 N147 S148 K153 A154E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.21Å; E146-I150 PolarHBondContact O-N 2.84Å; N147-I150 PolarHBondContact O-N 3.3Å; S148-I150 PolarHBondContact O-N 3.39Å; I150-K153 PolarHBondContact O-N 2.87Å; I150-A154 WeakPolarHBondContact O-CB 3.42Å; I150-A154 PolarHBondContact O-N 2.94Å
151A98.8Very high98.4Very high1 Ų155.8 Ų55.81%0.00828%0.281CS..Hα-helixtrans-65.4-45-178.600000112.2K125 N147 S148 K153 A154 A155K125-A151 HydrophobicContact CB-CB 4.07Å; K125-A151 HydrophobicContact CD-CB 4.23Å; K125-A151 HydrophobicContact CG-CB 3.83Å; N147-A151 WeakPolarHBondContact O-CB 3.4Å; N147-A151 PolarHBondContact O-N 3.43Å; S148-A151 PolarHBondContact O-N 2.84Å; A151-K153 PolarHBondContact O-N 3.01Å; A151-A154 PolarHBondContact O-N 3.28Å; A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 3.07Å
152Y98.8Very high98.4Very high0 Ų055.6 Ų55.60%029%0.287CS..Hα-helixtrans-64.7-37.4177.1-74.7-48.8000113.3G126 D127 R130 S148 A155 S156 L173 N176 F177 F180G126-Y152 VanDerWaalsContact C-CZ 3.44Å; D127-Y152 WeakPolarHBondContact CA-OH 3.48Å; D127-Y152 PolarHBondContact N-OH 2.65Å; D127-Y152 WeakPolarHBondContact OD1-CE1 3.33Å; D127-Y152 PolarHBondContact OD1-OH 2.71Å; R130-Y152 PolarHBondContact NE-OH 3.1Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.48Å; S148-Y152 PolarHBondContact O-N 2.93Å; S148-Y152 WeakPolarHBondContact OG-CD2 3.3Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.14Å; Y152-A155 PolarHBondContact O-N 3.22Å; Y152-S156 WeakPolarHBondContact O-CB 3.48Å; Y152-S156 PolarHBondContact O-N 3.41Å; Y152-S156 PolarHBondContact O-OG 2.9Å; Y152-L173 HydrophobicContact CD1-CD1 3.62Å; Y152-L173 HydrophobicContact CE1-CD1 4.32Å; Y152-N176 HydrophobicContact CE1-CB 4.27Å; Y152-F177 VanDerWaalsContact CB-CD2 3.48Å; Y152-F177 HydrophobicContact CD1-CB 4.06Å; Y152-F177 HydrophobicContact CD1-CD2 4.5Å; Y152-F177 HydrophobicContact CD1-CG 4.31Å; Y152-F177 HydrophobicContact CD2-CB 4.35Å; Y152-F177 AromaticContact CD2-CD2 3.47Å; Y152-F177 HydrophobicContact CD2-CD2 3.47Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.47Å; Y152-F177 AromaticContact CD2-CE2 3.95Å; Y152-F177 HydrophobicContact CD2-CE2 3.95Å; Y152-F177 HydrophobicContact CD2-CG 4.08Å; Y152-F177 HydrophobicContact CE1-CB 4.46Å; Y152-F177 HydrophobicContact CE2-CD2 4.27Å; Y152-F177 HydrophobicContact CG-CB 4Å; Y152-F177 HydrophobicContact CG-CD1 4.39Å; Y152-F177 AromaticContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CE2 4.1Å; Y152-F177 AromaticContact CG-CG 3.77Å; Y152-F177 HydrophobicContact CG-CG 3.77Å; Y152-F180 HydrophobicContact CD2-CB 4.2Å; Y152-F180 HydrophobicContact CD2-CD1 4.21Å; Y152-F180 HydrophobicContact CD2-CG 4.09Å; Y152-F180 HydrophobicContact CE2-CB 3.65Å; Y152-F180 HydrophobicContact CE2-CD1 4.41Å; Y152-F180 HydrophobicContact CE2-CD2 4.2Å; Y152-F180 AromaticContact CE2-CG 3.83Å; Y152-F180 HydrophobicContact CE2-CG 3.83Å
153K98.6Very high98.3Very high104 Ų10450.2 Ų50.245%0.45226%0.264SS..Hα-helixtrans-64-47.2173.6-77.8178.3172.8177.20111.7L149 I150 A151 A155 S156 D157 F177L149-K153 HydrophobicContact CD1-CD 4.2Å; L149-K153 HydrophobicContact CD1-CG 4.3Å; L149-K153 HydrophobicContact CG-CD 4.27Å; L149-K153 WeakPolarHBondContact O-CB 3.25Å; L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 3.5Å; L149-K153 PolarHBondContact O-N 2.82Å; I150-K153 PolarHBondContact O-N 2.87Å; A151-K153 PolarHBondContact O-N 3.01Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 3.32Å; K153-S156 WeakPolarHBondContact O-CB 3.29Å; K153-S156 PolarHBondContact O-N 3.08Å; K153-D157 VanDerWaalsContact O-CG 3.3Å; K153-D157 PolarHBondContact O-N 3.14Å; K153-F177 HydrophobicContact CG-CE1 4.5Å; K153-F177 HydrophobicContact CG-CZ 4.14Å
154A98.5Very high98.2Very high29 Ų2949.4 Ų49.424%0.2426%0.263CS..Hα-helixtrans-58.6-42.6176.100000111.8Y122 I150 A151 S156 I158Y122-A154 HydrophobicContact CD1-CB 3.97Å; Y122-A154 HydrophobicContact CE1-CB 4.14Å; Y122-A154 HydrophobicContact CG-CB 4.23Å; I150-A154 WeakPolarHBondContact O-CB 3.42Å; I150-A154 PolarHBondContact O-N 2.94Å; A151-A154 PolarHBondContact O-N 3.28Å; A154-S156 VanDerWaalsContact C-N 3.35Å; A154-I158 WeakPolarHBondContact O-CD1 3.42Å; A154-I158 VanDerWaalsContact O-CG1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.39Å; A154-I158 PolarHBondContact O-N 3.35Å
155A98.7Very high98.1Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-61.9-42.5173.800000111.9V119 A151 Y152 K153 I158 A159 L173V119-A155 HydrophobicContact CG1-CB 4.41Å; A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 3.07Å; Y152-A155 PolarHBondContact O-N 3.22Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 3.32Å; A155-I158 PolarHBondContact O-N 3.39Å; A155-A159 VanDerWaalsContact O-CB 3.23Å; A155-A159 WeakPolarHBondContact O-CB 3.45Å; A155-A159 PolarHBondContact O-N 3.04Å; A155-L173 VanDerWaalsContact C-CD2 3.5Å; A155-L173 HydrophobicContact CB-CD1 3.69Å; A155-L173 HydrophobicContact CB-CD2 3.64Å; A155-L173 HydrophobicContact CB-CG 4.32Å
156S98.5Very high98Very high16 Ų1649.9 Ų49.911%0.11227%0.265CS..Hα-helixtrans-66.3-44.1-177.4-59.90000111.6Y152 K153 A154 I158 A159 M160Y152-S156 WeakPolarHBondContact O-CB 3.48Å; Y152-S156 PolarHBondContact O-N 3.41Å; Y152-S156 PolarHBondContact O-OG 2.9Å; K153-S156 WeakPolarHBondContact O-CB 3.29Å; K153-S156 PolarHBondContact O-N 3.08Å; A154-S156 VanDerWaalsContact C-N 3.35Å; S156-I158 VanDerWaalsContact C-N 3.3Å; S156-I158 PolarHBondContact O-N 3.01Å; S156-A159 PolarHBondContact O-N 3.34Å; S156-M160 VanDerWaalsContact O-CG 3.29Å; S156-M160 WeakPolarHBondContact O-CG 3.45Å; S156-M160 PolarHBondContact O-N 3.04Å
157D98.3Very high97.8Very high104 Ų10447.2 Ų47.256%0.55625%0.252SS*.Hα-helixtrans-61.5-39.4179.3-67.7-19.4000111.4K153 N161K153-D157 VanDerWaalsContact O-CG 3.3Å; K153-D157 PolarHBondContact O-N 3.14Å; D157-N161 PolarHBondContact O-ND2 3.29Å
158I98.5Very high97.6Very high37 Ų3745 Ų4519%0.1924%0.241CC..Hα-helixtrans-72.4-46175.9-60165.8000110.1K118 V119 Y122 A154 A155 S156 M160 N161 D162K118-I158 HydrophobicContact CB-CD1 3.93Å; K118-I158 HydrophobicContact CB-CG2 4.4Å; K118-I158 HydrophobicContact CD-CD1 4.42Å; V119-I158 HydrophobicContact CG2-CB 3.82Å; V119-I158 HydrophobicContact CG2-CG2 3.59Å; Y122-I158 HydrophobicContact CD2-CD1 4.04Å; Y122-I158 HydrophobicContact CE2-CD1 4.14Å; A154-I158 WeakPolarHBondContact O-CD1 3.42Å; A154-I158 VanDerWaalsContact O-CG1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.39Å; A154-I158 PolarHBondContact O-N 3.35Å; A155-I158 PolarHBondContact O-N 3.39Å; S156-I158 VanDerWaalsContact C-N 3.3Å; S156-I158 PolarHBondContact O-N 3.01Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 PolarHBondContact O-N 2.62Å; I158-N161 PolarHBondContact O-N 3.38Å; I158-N161 VanDerWaalsContact O-N 3.08Å; I158-D162 HydrophobicContact CG2-CB 4.36Å; I158-D162 WeakPolarHBondContact O-CB 3.38Å; I158-D162 PolarHBondContact O-N 3.03Å
159A98.4Very high97.5Very high2 Ų245.6 Ų45.62%0.01725%0.245CC..Hα-helixtrans-61.5-35.3-177.500000113V119 A155 S156 N161 L163 R170 L173V119-A159 HydrophobicContact CG1-CB 3.87Å; V119-A159 HydrophobicContact CG2-CB 3.8Å; A155-A159 VanDerWaalsContact O-CB 3.23Å; A155-A159 WeakPolarHBondContact O-CB 3.45Å; A155-A159 PolarHBondContact O-N 3.04Å; S156-A159 PolarHBondContact O-N 3.34Å; A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.15Å; A159-L163 HydrophobicContact CB-CD1 4.31Å; A159-L163 PolarHBondContact O-N 3.17Å; A159-L163 VanDerWaalsContact O-N 3.11Å; A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.11Å; A159-L173 HydrophobicContact CB-CD2 4.01Å
160M97Very high97.5Very high121 Ų12146 Ų4660%0.59624%0.243SC*.Hα-helixtrans-64.3-30.4176.8-75.4178.8-172.200113.1S156 I158S156-M160 VanDerWaalsContact O-CG 3.29Å; S156-M160 WeakPolarHBondContact O-CG 3.45Å; S156-M160 PolarHBondContact O-N 3.04Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 PolarHBondContact O-N 2.62Å
161N96.6Very high97.4Very high136 Ų13640.9 Ų40.973%0.72722%0.217SC*.Hα-helixtrans-93.7-36.7-178-68.2-57.4000112.7D157 I158 A159D157-N161 PolarHBondContact O-ND2 3.29Å; I158-N161 PolarHBondContact O-N 3.38Å; I158-N161 VanDerWaalsContact O-N 3.08Å; A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.15Å
162D97.7Very high97.4Very high93 Ų9341 Ų4150%0.49722%0.218SC..Hα-helixtrans-106.5-17.6-165.5-67.98.9000113.4G115 I158G115-D162 WeakPolarHBondContact CA-OD2 3.4Å; I158-D162 HydrophobicContact CG2-CB 4.36Å; I158-D162 WeakPolarHBondContact O-CB 3.38Å; I158-D162 PolarHBondContact O-N 3.03Å
163L96.6Very high97.3Very high14 Ų1441.1 Ų41.17%0.07322%0.219CC..SBendtrans-124.4135-175.3-56.6-179.5000111.8E116 V119 A159 H167 I169 R170E116-L163 HydrophobicContact CB-CD2 4.1Å; E116-L163 HydrophobicContact CG-CD2 4.35Å; V119-L163 HydrophobicContact CB-CD1 4.01Å; V119-L163 HydrophobicContact CG1-CD1 4.02Å; V119-L163 HydrophobicContact CG2-CD1 3.9Å; A159-L163 HydrophobicContact CB-CD1 4.31Å; A159-L163 PolarHBondContact O-N 3.17Å; A159-L163 VanDerWaalsContact O-N 3.11Å; L163-H167 HydrophobicContact CB-CB 4.02Å; L163-I169 HydrophobicContact CD1-CB 4.35Å; L163-I169 HydrophobicContact CD1-CG2 4.3Å; L163-R170 HydrophobicContact CB-CB 4.2Å; L163-R170 HydrophobicContact CD1-CB 4.26Å; L163-R170 PolarHBondContact O-NH1 3.05Å
164P95.9Very high97.3Very high63 Ų6336.6 Ų36.641%0.40920%0.201SC..  trans-63.8152.8174.726.6-32.8000111T166 H167 R170P164-T166 PolarHBondContact O-N 3.44Å; P164-H167 HydrophobicContact CG-CB 4.02Å; P164-H167 WeakPolarHBondContact O-CB 3.37Å; P164-H167 PolarHBondContact O-N 3.42Å; P164-R170 WeakPolarHBondContact O-CD 3.47Å
165P96.8Very high97.3Very high20 Ų2035.2 Ų35.213%0.1319%0.19CC..THydrogen-bonded Turntrans-51.9-30.6178.4-27.935.3000114.8H167 D201 E205P165-H167 VanDerWaalsContact C-N 3.34Å; P165-D201 HydrophobicContact CB-CB 3.92Å; P165-D201 HydrophobicContact CG-CB 4.42Å; P165-E205 WeakPolarHBondContact CD-OE2 3.44Å
166T95.8Very high97.3Very high6 Ų635.2 Ų35.24%0.03719%0.19CC..THydrogen-bonded Turntrans-84.1-3.4179.754.60000114.1P164 A202 E205 L209 S217P164-T166 PolarHBondContact O-N 3.44Å; T166-A202 HydrophobicContact CG2-CB 4.38Å; T166-A202 WeakPolarHBondContact CG2-O 3.45Å; T166-E205 HydrophobicContact CG2-CB 3.79Å; T166-L209 HydrophobicContact CG2-CD1 4.14Å; T166-L209 HydrophobicContact CG2-CG 4.11Å; T166-S217 WeakPolarHBondContact O-CB 3.47Å; T166-S217 PolarHBondContact O-OG 3Å
167H95.1Very high97.3Very high35 Ų3534.8 Ų34.816%0.16219%0.186CC..  trans-65.9129.8-178.1-165.4-73000111.3E116 L163 P164 P165 I169 R170 L171E116-H167 IonicContact OE2-NE2 2.61Å; L163-H167 HydrophobicContact CB-CB 4.02Å; P164-H167 HydrophobicContact CG-CB 4.02Å; P164-H167 WeakPolarHBondContact O-CB 3.37Å; P164-H167 PolarHBondContact O-N 3.42Å; P165-H167 VanDerWaalsContact C-N 3.34Å; H167-I169 VanDerWaalsContact C-N 3.34Å; H167-I169 PolarHBondContact ND1-N 3.44Å; H167-I169 VanDerWaalsContact ND1-N 3.18Å; H167-I169 PolarHBondContact O-N 3.41Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 3.05Å; H167-L171 PolarHBondContact O-N 3.46Å
168P95.4Very high97.3Very high14 Ų1429.9 Ų29.99%0.09116%0.159CC..Hα-helixtrans-52.7-46.1-177.8-27.532.3000113.7R170 L171 G172 D216 S217 I220P168-R170 VanDerWaalsContact C-N 3.35Å; P168-R170 PolarHBondContact O-N 3.32Å; P168-L171 PolarHBondContact O-N 2.81Å; P168-G172 PolarHBondContact O-N 3.01Å; P168-D216 HydrophobicContact CB-CB 4.13Å; P168-D216 HydrophobicContact CG-CB 4.04Å; P168-S217 WeakPolarHBondContact CD-OG 3.47Å; P168-S217 WeakPolarHBondContact CG-OG 3.39Å; P168-I220 HydrophobicContact CB-CD1 4Å; P168-I220 WeakPolarHBondContact O-CD1 3.48Å
169I96.1Very high97.3Very high14 Ų1428.1 Ų28.17%0.07215%0.151CC..Hα-helixtrans-61.4-38.6177.7-62.3172.7000112.8E116 V119 F120 L163 H167 L173E116-I169 HydrophobicContact CG-CD1 3.44Å; E116-I169 VanDerWaalsContact CG-CD1 3.44Å; V119-I169 HydrophobicContact CB-CG2 4.15Å; V119-I169 HydrophobicContact CG1-CG2 3.63Å; F120-I169 HydrophobicContact CB-CD1 4.4Å; F120-I169 HydrophobicContact CD2-CD1 3.85Å; F120-I169 HydrophobicContact CD2-CG1 4.21Å; L163-I169 HydrophobicContact CD1-CB 4.35Å; L163-I169 HydrophobicContact CD1-CG2 4.3Å; H167-I169 VanDerWaalsContact C-N 3.34Å; H167-I169 PolarHBondContact ND1-N 3.44Å; H167-I169 VanDerWaalsContact ND1-N 3.18Å; H167-I169 PolarHBondContact O-N 3.41Å; I169-L173 WeakPolarHBondContact O-CB 3.39Å; I169-L173 PolarHBondContact O-N 3.21Å
170R97.6Very high97.3Very high47 Ų4728 Ų2818%0.17715%0.15CC..Hα-helixtrans-69.7-43.4178.5177.4173170.1174.7-5.9111A159 L163 P164 H167 P168 L173 A174A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.11Å; L163-R170 HydrophobicContact CB-CB 4.2Å; L163-R170 HydrophobicContact CD1-CB 4.26Å; L163-R170 PolarHBondContact O-NH1 3.05Å; P164-R170 WeakPolarHBondContact O-CD 3.47Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 3.05Å; P168-R170 VanDerWaalsContact C-N 3.35Å; P168-R170 PolarHBondContact O-N 3.32Å; R170-L173 WeakPolarHBondContact O-CB 3.09Å; R170-L173 PolarHBondContact O-N 3.1Å; R170-A174 PolarHBondContact O-N 3.25Å
171L97.9Very high97.3Very high2 Ų223.6 Ų23.61%0.0113%0.126CC..Hα-helixtrans-61-46173.5-75.8170.2000111.4H167 P168 L173 A174 L175 A202 I220 M221 L224H167-L171 PolarHBondContact O-N 3.46Å; P168-L171 PolarHBondContact O-N 2.81Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.34Å; L171-A174 WeakPolarHBondContact O-CB 3.25Å; L171-A174 PolarHBondContact O-N 2.99Å; L171-A174 VanDerWaalsContact O-N 3.13Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-A202 HydrophobicContact CD2-CB 3.7Å; L171-I220 HydrophobicContact CB-CB 4.1Å; L171-I220 HydrophobicContact CB-CD1 4.13Å; L171-I220 HydrophobicContact CB-CG2 3.66Å; L171-M221 HydrophobicContact CD1-CG 3.94Å; L171-M221 HydrophobicContact CD1-SD 4.37Å; L171-M221 HydrophobicContact CD2-CG 4.02Å; L171-L224 HydrophobicContact CD2-CD1 3.98Å
172G97.6Very high97.4Very high3 Ų318.6 Ų18.63%0.03110%0.098CC..Hα-helixtrans-64.7-35.317900000112.6K123 P168 N176 V255K123-G172 WeakPolarHBondContact CE-O 3.41Å; P168-G172 PolarHBondContact O-N 3.01Å; G172-N176 PolarHBondContact O-N 2.53Å; G172-V255 VanDerWaalsContact CA-CG2 3.5Å
173L98.5Very high97.3Very high4 Ų417.4 Ų17.42%0.0219%0.089CC..Hα-helixtrans-61.5-48.1170.3169.463.9000111.1V119 K123 Y152 A155 A159 I169 R170 L171 L175 N176 F177V119-L173 HydrophobicContact CG1-CD2 4.05Å; K123-L173 HydrophobicContact CB-CD1 4.1Å; K123-L173 HydrophobicContact CD-CB 4.11Å; K123-L173 HydrophobicContact CG-CB 4.28Å; K123-L173 HydrophobicContact CG-CD1 4.04Å; Y152-L173 HydrophobicContact CD1-CD1 3.62Å; Y152-L173 HydrophobicContact CE1-CD1 4.32Å; A155-L173 VanDerWaalsContact C-CD2 3.5Å; A155-L173 HydrophobicContact CB-CD1 3.69Å; A155-L173 HydrophobicContact CB-CD2 3.64Å; A155-L173 HydrophobicContact CB-CG 4.32Å; A159-L173 HydrophobicContact CB-CD2 4.01Å; I169-L173 WeakPolarHBondContact O-CB 3.39Å; I169-L173 PolarHBondContact O-N 3.21Å; R170-L173 WeakPolarHBondContact O-CB 3.09Å; R170-L173 PolarHBondContact O-N 3.1Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.34Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.74Å; L173-N176 PolarHBondContact O-N 2.78Å; L173-F177 WeakPolarHBondContact O-CB 3.34Å; L173-F177 PolarHBondContact O-N 2.92Å
174A98.5Very high97.3Very high9 Ų917.1 Ų17.17%0.0749%0.088CC..Hα-helixtrans-61.6-41.817900000111.9R170 L171 S178 A198R170-A174 PolarHBondContact O-N 3.25Å; L171-A174 WeakPolarHBondContact O-CB 3.25Å; L171-A174 PolarHBondContact O-N 2.99Å; L171-A174 VanDerWaalsContact O-N 3.13Å; A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.34Å; A174-S178 PolarHBondContact O-N 3.14Å; A174-S178 PolarHBondContact O-OG 3.26Å; A174-S178 VanDerWaalsContact O-OG 3.13Å; A174-A198 HydrophobicContact CB-CB 3.37Å
175L98.2Very high97.4Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-57.1-60.7175.4179.359.7000110.7L171 L173 F177 S178 V179 I220 L223 L224 N227 V255L171-L175 PolarHBondContact O-N 3.41Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.74Å; L175-F177 VanDerWaalsContact C-N 3.33Å; L175-F177 PolarHBondContact O-N 3.45Å; L175-S178 PolarHBondContact O-N 3.22Å; L175-S178 VanDerWaalsContact O-N 3.15Å; L175-S178 PolarHBondContact O-OG 3.18Å; L175-V179 WeakPolarHBondContact O-CG2 3.43Å; L175-V179 PolarHBondContact O-N 3.13Å; L175-I220 HydrophobicContact CB-CG2 4.23Å; L175-I220 HydrophobicContact CD2-CG2 4.14Å; L175-L223 HydrophobicContact CD1-CB 4.17Å; L175-L223 HydrophobicContact CD2-CB 3.63Å; L175-L223 HydrophobicContact CD2-CD1 3.61Å; L175-L223 HydrophobicContact CD2-CG 4.27Å; L175-L224 HydrophobicContact CB-CD2 3.95Å; L175-L224 HydrophobicContact CB-CG 4.22Å; L175-L224 HydrophobicContact CD1-CD2 3.95Å; L175-L224 HydrophobicContact CD1-CG 4.17Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.29Å; L175-V255 HydrophobicContact CB-CG2 4.31Å; L175-V255 HydrophobicContact CD2-CG2 3.74Å; L175-V255 HydrophobicContact CG-CG2 4.35Å
176N98.1Very high97.3Very high0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-64.4-36.8-176.1-74.815.4000113K123 D127 Y152 G172 L173 S178 V179 F180 V255 E256K123-N176 PolarHBondContact NZ-ND2 3.07Å; D127-N176 VanDerWaalsContact OD1-CB 3.26Å; D127-N176 WeakPolarHBondContact OD1-CB 3.4Å; D127-N176 PolarHBondContact OD1-ND2 3.07Å; D127-N176 PolarHBondContact OD2-ND2 2.86Å; D127-N176 VanDerWaalsContact OD2-ND2 3.1Å; Y152-N176 HydrophobicContact CE1-CB 4.27Å; G172-N176 PolarHBondContact O-N 2.53Å; L173-N176 PolarHBondContact O-N 2.78Å; N176-S178 VanDerWaalsContact C-N 3.34Å; N176-V179 PolarHBondContact O-N 2.97Å; N176-F180 PolarHBondContact O-N 2.95Å; N176-V255 WeakPolarHBondContact OD1-CG2 2.85Å; N176-V255 PolarHBondContact OD1-N 3.43Å; N176-E256 PolarHBondContact ND2-OE1 3.34Å
177F98.6Very high97.4Very high7 Ų723 Ų233%0.03112%0.116CC..Hα-helixtrans-70.7-32.4178.1-169.6-166.6000111.8L149 Y152 K153 L173 L175 F180 Y181 L194L149-F177 HydrophobicContact CD1-CE2 3.78Å; L149-F177 HydrophobicContact CD1-CZ 3.8Å; Y152-F177 VanDerWaalsContact CB-CD2 3.48Å; Y152-F177 HydrophobicContact CD1-CB 4.06Å; Y152-F177 HydrophobicContact CD1-CD2 4.5Å; Y152-F177 HydrophobicContact CD1-CG 4.31Å; Y152-F177 HydrophobicContact CD2-CB 4.35Å; Y152-F177 AromaticContact CD2-CD2 3.47Å; Y152-F177 HydrophobicContact CD2-CD2 3.47Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.47Å; Y152-F177 AromaticContact CD2-CE2 3.95Å; Y152-F177 HydrophobicContact CD2-CE2 3.95Å; Y152-F177 HydrophobicContact CD2-CG 4.08Å; Y152-F177 HydrophobicContact CE1-CB 4.46Å; Y152-F177 HydrophobicContact CE2-CD2 4.27Å; Y152-F177 HydrophobicContact CG-CB 4Å; Y152-F177 HydrophobicContact CG-CD1 4.39Å; Y152-F177 AromaticContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CE2 4.1Å; Y152-F177 AromaticContact CG-CG 3.77Å; Y152-F177 HydrophobicContact CG-CG 3.77Å; K153-F177 HydrophobicContact CG-CE1 4.5Å; K153-F177 HydrophobicContact CG-CZ 4.14Å; L173-F177 WeakPolarHBondContact O-CB 3.34Å; L173-F177 PolarHBondContact O-N 2.92Å; L175-F177 VanDerWaalsContact C-N 3.33Å; L175-F177 PolarHBondContact O-N 3.45Å; F177-F180 HydrophobicContact CD2-CB 4.32Å; F177-F180 AromaticContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CG 4.43Å; F177-F180 AromaticContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CE1 4.17Å; F177-F180 WeakPolarHBondContact O-CB 3.33Å; F177-F180 PolarHBondContact O-N 3.47Å; F177-Y181 HydrophobicContact CD1-CE2 4.26Å; F177-Y181 AromaticContact CD2-CD2 3.96Å; F177-Y181 HydrophobicContact CD2-CD2 3.96Å; F177-Y181 AromaticContact CD2-CE2 3.68Å; F177-Y181 HydrophobicContact CD2-CE2 3.68Å; F177-Y181 AromaticContact CE1-CE2 3.96Å; F177-Y181 HydrophobicContact CE1-CE2 3.96Å; F177-Y181 AromaticContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CE1 4.37Å; F177-Y181 AromaticContact CE2-CE2 3.32Å; F177-Y181 HydrophobicContact CE2-CE2 3.32Å; F177-Y181 AromaticContact CE2-CZ 3.54Å; F177-Y181 HydrophobicContact CG-CD2 4.46Å; F177-Y181 HydrophobicContact CG-CE2 4.14Å; F177-Y181 AromaticContact CZ-CE2 3.47Å; F177-Y181 HydrophobicContact CZ-CE2 3.47Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F177-Y181 AromaticContact CZ-CZ 3.58Å; F177-Y181 VanDerWaalsContact CZ-OH 3.25Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.37Å; F177-Y181 VanDerWaalsContact O-CD2 3.24Å; F177-Y181 WeakPolarHBondContact O-CD2 3.44Å; F177-Y181 PolarHBondContact O-N 2.97Å; F177-L194 HydrophobicContact CB-CD2 3.79Å; F177-L194 HydrophobicContact CD1-CD2 3.61Å; F177-L194 HydrophobicContact CE1-CD2 4.39Å; F177-L194 HydrophobicContact CG-CD2 3.71Å
178S98.4Very high97.4Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-67.1-41.1171.569.60000111.8A174 L175 N176 F180 Y181 Y182 A191 W231A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.34Å; A174-S178 PolarHBondContact O-N 3.14Å; A174-S178 PolarHBondContact O-OG 3.26Å; A174-S178 VanDerWaalsContact O-OG 3.13Å; L175-S178 PolarHBondContact O-N 3.22Å; L175-S178 VanDerWaalsContact O-N 3.15Å; L175-S178 PolarHBondContact O-OG 3.18Å; N176-S178 VanDerWaalsContact C-N 3.34Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 2.65Å; S178-Y181 PolarHBondContact O-N 2.99Å; S178-Y182 PolarHBondContact O-N 3.22Å; S178-A191 WeakPolarHBondContact O-CB 3.25Å; S178-W231 VanDerWaalsContact OG-CH2 3.31Å; S178-W231 WeakPolarHBondContact OG-CH2 3.31Å
179V97.6Very high97.4Very high1 Ų125.4 Ų25.41%0.00613%0.131CC..Hα-helixtrans-59.4-43.6172.2174.80000110.9L175 N176 Y181 Y182 E183 W231 I252 D254L175-V179 WeakPolarHBondContact O-CG2 3.43Å; L175-V179 PolarHBondContact O-N 3.13Å; N176-V179 PolarHBondContact O-N 2.97Å; V179-Y181 PolarHBondContact O-N 2.96Å; V179-Y182 PolarHBondContact O-N 2.98Å; V179-Y182 VanDerWaalsContact O-N 3.15Å; V179-E183 HydrophobicContact CG1-CG 4.07Å; V179-E183 VanDerWaalsContact CG1-OE2 3.3Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.2Å; V179-E183 PolarHBondContact O-N 3.46Å; V179-W231 HydrophobicContact CG2-CH2 4.14Å; V179-W231 HydrophobicContact CG2-CZ2 4.03Å; V179-I252 HydrophobicContact CB-CG2 4.39Å; V179-I252 HydrophobicContact CG1-CG2 3.93Å; V179-I252 HydrophobicContact CG2-CG2 3.73Å; V179-D254 HydrophobicContact CG2-CB 4.27Å
180F98.4Very high97.4Very high0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-56.5-47173.3170.2-101.7000112.9R130 A145 S148 L149 Y152 N176 F177 S178 Y182 I184 L185R130-F180 HydrophobicContact CB-CD2 4.24Å; R130-F180 HydrophobicContact CG-CD2 4.28Å; A145-F180 HydrophobicContact CB-CE2 4.42Å; A145-F180 WeakPolarHBondContact O-CZ 3.47Å; S148-F180 WeakPolarHBondContact OG-CD2 3.25Å; S148-F180 WeakPolarHBondContact OG-CE2 3.31Å; L149-F180 HydrophobicContact CB-CE1 3.96Å; L149-F180 HydrophobicContact CB-CZ 3.96Å; L149-F180 HydrophobicContact CD1-CE1 4.03Å; Y152-F180 HydrophobicContact CD2-CB 4.2Å; Y152-F180 HydrophobicContact CD2-CD1 4.21Å; Y152-F180 HydrophobicContact CD2-CG 4.09Å; Y152-F180 HydrophobicContact CE2-CB 3.65Å; Y152-F180 HydrophobicContact CE2-CD1 4.41Å; Y152-F180 HydrophobicContact CE2-CD2 4.2Å; Y152-F180 AromaticContact CE2-CG 3.83Å; Y152-F180 HydrophobicContact CE2-CG 3.83Å; N176-F180 PolarHBondContact O-N 2.95Å; F177-F180 HydrophobicContact CD2-CB 4.32Å; F177-F180 AromaticContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CG 4.43Å; F177-F180 AromaticContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CE1 4.17Å; F177-F180 WeakPolarHBondContact O-CB 3.33Å; F177-F180 PolarHBondContact O-N 3.47Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 2.65Å; F180-Y182 PolarHBondContact O-N 3.22Å; F180-I184 HydrophobicContact CD2-CB 3.67Å; F180-I184 HydrophobicContact CD2-CG1 3.72Å; F180-I184 HydrophobicContact CD2-CG2 4.11Å; F180-I184 HydrophobicContact CE2-CB 3.7Å; F180-I184 HydrophobicContact CE2-CG1 4.13Å; F180-I184 HydrophobicContact CE2-CG2 3.62Å; F180-I184 HydrophobicContact CZ-CG2 4.42Å; F180-I184 WeakPolarHBondContact O-CB 3.43Å; F180-I184 PolarHBondContact O-N 3.35Å; F180-L185 HydrophobicContact CD1-CD1 4.19Å; F180-L185 HydrophobicContact CD1-CG 4.3Å; F180-L185 HydrophobicContact CE1-CD1 3.33Å; F180-L185 HydrophobicContact CE1-CD2 4.32Å; F180-L185 HydrophobicContact CE1-CG 3.56Å; F180-L185 HydrophobicContact CE2-CG 4.4Å; F180-L185 HydrophobicContact CZ-CD1 3.78Å; F180-L185 HydrophobicContact CZ-CD2 3.91Å; F180-L185 HydrophobicContact CZ-CG 3.61Å; F180-L185 PolarHBondContact O-N 3.37Å
181Y98.4Very high97.4Very high27 Ų2728.4 Ų28.411%0.10614%0.141CC..Hα-helixtrans-60.2-39177.4-84.2-59.3000111.9L149 F177 S178 V179 L185 N186 S187 R190 L194L149-Y181 HydrophobicContact CD1-CE1 4.38Å; F177-Y181 HydrophobicContact CD1-CE2 4.26Å; F177-Y181 AromaticContact CD2-CD2 3.96Å; F177-Y181 HydrophobicContact CD2-CD2 3.96Å; F177-Y181 AromaticContact CD2-CE2 3.68Å; F177-Y181 HydrophobicContact CD2-CE2 3.68Å; F177-Y181 AromaticContact CE1-CE2 3.96Å; F177-Y181 HydrophobicContact CE1-CE2 3.96Å; F177-Y181 AromaticContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CE1 4.37Å; F177-Y181 AromaticContact CE2-CE2 3.32Å; F177-Y181 HydrophobicContact CE2-CE2 3.32Å; F177-Y181 AromaticContact CE2-CZ 3.54Å; F177-Y181 HydrophobicContact CG-CD2 4.46Å; F177-Y181 HydrophobicContact CG-CE2 4.14Å; F177-Y181 AromaticContact CZ-CE2 3.47Å; F177-Y181 HydrophobicContact CZ-CE2 3.47Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F177-Y181 AromaticContact CZ-CZ 3.58Å; F177-Y181 VanDerWaalsContact CZ-OH 3.25Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.37Å; F177-Y181 VanDerWaalsContact O-CD2 3.24Å; F177-Y181 WeakPolarHBondContact O-CD2 3.44Å; F177-Y181 PolarHBondContact O-N 2.97Å; S178-Y181 PolarHBondContact O-N 2.99Å; V179-Y181 PolarHBondContact O-N 2.96Å; Y181-L185 HydrophobicContact CD1-CB 4.44Å; Y181-L185 HydrophobicContact CD1-CD1 3.71Å; Y181-L185 HydrophobicContact CE1-CD1 3.75Å; Y181-L185 CarbonylContact O-C 3.54Å; Y181-N186 PolarHBondContact O-N 3.02Å; Y181-S187 PolarHBondContact O-N 2.93Å; Y181-R190 HydrophobicContact CD1-CB 3.84Å; Y181-R190 HydrophobicContact CD2-CB 4.38Å; Y181-R190 HydrophobicContact CE1-CB 4.28Å; Y181-R190 HydrophobicContact CG-CB 3.93Å; Y181-L194 HydrophobicContact CD2-CD2 4Å; Y181-L194 HydrophobicContact CE2-CD2 3.99Å
182Y97.5Very high97.4Very high31 Ų3129.2 Ų29.212%0.12215%0.147CC..Hα-helixtrans-70.7-62.2179.1-167.6-92.4000111.6S178 V179 F180 N186 P188 A191 W231 D234 I252S178-Y182 PolarHBondContact O-N 3.22Å; V179-Y182 PolarHBondContact O-N 2.98Å; V179-Y182 VanDerWaalsContact O-N 3.15Å; F180-Y182 PolarHBondContact O-N 3.22Å; Y182-N186 WeakPolarHBondContact O-CA 3.49Å; Y182-N186 PolarHBondContact O-N 3.4Å; Y182-P188 HydrophobicContact CD2-CB 3.84Å; Y182-P188 HydrophobicContact CE2-CB 3.8Å; Y182-A191 HydrophobicContact CD2-CB 4.39Å; Y182-W231 AromaticContact CD1-CD1 3.9Å; Y182-W231 AromaticContact CD1-NE1 3.52Å; Y182-W231 HydrophobicContact CD2-CB 4.06Å; Y182-W231 AromaticContact CD2-CD1 3.36Å; Y182-W231 AromaticContact CD2-CD2 3.76Å; Y182-W231 HydrophobicContact CD2-CD2 3.76Å; Y182-W231 AromaticContact CD2-CE2 3.82Å; Y182-W231 AromaticContact CD2-CG 3.45Å; Y182-W231 HydrophobicContact CD2-CG 3.45Å; Y182-W231 VanDerWaalsContact CD2-CG 3.45Å; Y182-W231 AromaticContact CD2-NE1 3.56Å; Y182-W231 AromaticContact CE1-CD1 3.71Å; Y182-W231 AromaticContact CE1-NE1 3.73Å; Y182-W231 HydrophobicContact CE2-CB 3.76Å; Y182-W231 AromaticContact CE2-CD1 3.16Å; Y182-W231 HydrophobicContact CE2-CD2 4.25Å; Y182-W231 AromaticContact CE2-CG 3.45Å; Y182-W231 HydrophobicContact CE2-CG 3.45Å; Y182-W231 VanDerWaalsContact CE2-CG 3.45Å; Y182-W231 AromaticContact CE2-NE1 3.79Å; Y182-W231 AromaticContact CG-CD1 3.73Å; Y182-W231 HydrophobicContact CG-CD2 4.13Å; Y182-W231 AromaticContact CG-CE2 3.69Å; Y182-W231 HydrophobicContact CG-CG 4.13Å; Y182-W231 HydrophobicContact CG-CZ2 4.25Å; Y182-W231 AromaticContact CG-NE1 3.42Å; Y182-W231 AromaticContact CZ-CD1 3.34Å; Y182-W231 AromaticContact CZ-NE1 3.86Å; Y182-D234 PolarHBondContact OH-OD2 2.78Å; Y182-I252 HydrophobicContact CD1-CD1 3.32Å; Y182-I252 HydrophobicContact CE1-CD1 3.41Å; Y182-I252 VanDerWaalsContact CE1-CD1 3.41Å; Y182-I252 HydrophobicContact CG-CD1 4.39Å
183E95.6Very high97.4Very high69 Ų6936.4 Ų36.432%0.32217%0.173SC..Hα-helixtrans-78.3-37.1-168.3-63.5-171.6141.100113.6V179 I252V179-E183 HydrophobicContact CG1-CG 4.07Å; V179-E183 VanDerWaalsContact CG1-OE2 3.3Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.2Å; V179-E183 PolarHBondContact O-N 3.46Å; E183-I252 HydrophobicContact CG-CD1 3.76Å; E183-I252 WeakPolarHBondContact OE1-CD1 3.42Å
184I97.5Very high97.3Very high8 Ų838.2 Ų38.24%0.04118%0.183CC..THydrogen-bonded Turntrans-97.9-44.5-172.3-53.2-54.3000111.8R130 A133 E134 R141 A145 F180R130-I184 HydrophobicContact CG-CD1 4.37Å; R130-I184 HydrophobicContact CG-CG1 3.9Å; A133-I184 HydrophobicContact CB-CD1 4.13Å; A133-I184 HydrophobicContact CB-CG1 4.44Å; A133-I184 HydrophobicContact CB-CG2 3.74Å; E134-I184 HydrophobicContact CG-CD1 4.05Å; R141-I184 PolarHBondContact NH2-O 3.09Å; A145-I184 HydrophobicContact CB-CG2 3.76Å; F180-I184 HydrophobicContact CD2-CB 3.67Å; F180-I184 HydrophobicContact CD2-CG1 3.72Å; F180-I184 HydrophobicContact CD2-CG2 4.11Å; F180-I184 HydrophobicContact CE2-CB 3.7Å; F180-I184 HydrophobicContact CE2-CG1 4.13Å; F180-I184 HydrophobicContact CE2-CG2 3.62Å; F180-I184 HydrophobicContact CZ-CG2 4.42Å; F180-I184 WeakPolarHBondContact O-CB 3.43Å; F180-I184 PolarHBondContact O-N 3.35Å
185L97.4Very high97.3Very high55 Ų5537.8 Ų37.829%0.28818%0.179SC..THydrogen-bonded Turntrans-92.4-2.4-179-63.6-170.6000114A145 F180 Y181 S187A145-L185 HydrophobicContact CB-CD2 4.47Å; F180-L185 HydrophobicContact CD1-CD1 4.19Å; F180-L185 HydrophobicContact CD1-CG 4.3Å; F180-L185 HydrophobicContact CE1-CD1 3.33Å; F180-L185 HydrophobicContact CE1-CD2 4.32Å; F180-L185 HydrophobicContact CE1-CG 3.56Å; F180-L185 HydrophobicContact CE2-CG 4.4Å; F180-L185 HydrophobicContact CZ-CD1 3.78Å; F180-L185 HydrophobicContact CZ-CD2 3.91Å; F180-L185 HydrophobicContact CZ-CG 3.61Å; F180-L185 PolarHBondContact O-N 3.37Å; Y181-L185 HydrophobicContact CD1-CB 4.44Å; Y181-L185 HydrophobicContact CD1-CD1 3.71Å; Y181-L185 HydrophobicContact CE1-CD1 3.75Å; Y181-L185 CarbonylContact O-C 3.54Å; L185-S187 PolarHBondContact O-N 3.47Å; L185-S187 VanDerWaalsContact O-N 3.13Å; L185-S187 PolarHBondContact O-OG 3.29Å
186N95.6Very high97.3Very high135 Ų13543.4 Ų43.472%0.72220%0.203SC*.  trans4744.2-178.6-165.348000111.8Y181 Y182 P188Y181-N186 PolarHBondContact O-N 3.02Å; Y182-N186 WeakPolarHBondContact O-CA 3.49Å; Y182-N186 PolarHBondContact O-N 3.4Å; N186-P188 VanDerWaalsContact C-CD 3.4Å; N186-P188 WeakPolarHBondContact O-CD 3.3Å
187S96.6Very high97.3Very high23 Ų2345.6 Ų45.616%0.16122%0.221CC..  trans-122.567.5-174-63.50000109.8Y181 L185 D189 R190 A191Y181-S187 PolarHBondContact O-N 2.93Å; L185-S187 PolarHBondContact O-N 3.47Å; L185-S187 VanDerWaalsContact O-N 3.13Å; L185-S187 PolarHBondContact O-OG 3.29Å; S187-D189 PolarHBondContact O-N 3.32Å; S187-R190 PolarHBondContact O-N 3.49Å; S187-A191 PolarHBondContact O-N 2.92Å
188P95.1Very high97.3Very high28 Ų2846 Ų4618%0.18223%0.226CC..Hα-helixtrans-61.4-31.8-175.126-35.9000112.6Y182 N186 R190 A191 C192 M235Y182-P188 HydrophobicContact CD2-CB 3.84Å; Y182-P188 HydrophobicContact CE2-CB 3.8Å; N186-P188 VanDerWaalsContact C-CD 3.4Å; N186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-R190 VanDerWaalsContact C-N 3.29Å; P188-R190 PolarHBondContact O-N 2.87Å; P188-A191 PolarHBondContact O-N 3.48Å; P188-C192 WeakPolarHBondContact O-CB 3.39Å; P188-C192 PolarHBondContact O-N 2.94Å; P188-C192 PolarHBondContact O-SG 3.27Å; P188-C192 VanDerWaalsContact O-SG 3.34Å; P188-M235 HydrophobicContact CB-CG 4.06Å; P188-M235 HydrophobicContact CB-SD 3.89Å; P188-M235 HydrophobicContact CG-CG 4.3Å; P188-M235 HydrophobicContact CG-SD 4.37Å
189D95.3Very high97.2Very high71 Ų7147.8 Ų47.838%0.3823%0.234SC..Hα-helixtrans-60.2-38.8174.773.9-65.7000112.2S187 R193S187-D189 PolarHBondContact O-N 3.32Å; D189-R193 VanDerWaalsContact O-CB 3.23Å; D189-R193 WeakPolarHBondContact O-CB 3.26Å; D189-R193 PolarHBondContact O-N 2.88Å; D189-R193 VanDerWaalsContact O-N 3.14Å; D189-R193 IonicContact OD2-CZ 3.51Å; D189-R193 IonicContact OD2-NH1 2.76Å; D189-R193 IonicContact OD2-NH2 2.63Å; D189-R193 PolarHBondContact OD2-NH2 2.77Å
190R97.2Very high97.2Very high123 Ų12351.4 Ų51.446%0.46425%0.253SS..Hα-helixtrans-76.1-40.6177.8-65.9-173.8178.5-179.4-1111.2Y181 S187 P188 R193 L194Y181-R190 HydrophobicContact CD1-CB 3.84Å; Y181-R190 HydrophobicContact CD2-CB 4.38Å; Y181-R190 HydrophobicContact CE1-CB 4.28Å; Y181-R190 HydrophobicContact CG-CB 3.93Å; S187-R190 PolarHBondContact O-N 3.49Å; P188-R190 VanDerWaalsContact C-N 3.29Å; P188-R190 PolarHBondContact O-N 2.87Å; R190-R193 PolarHBondContact O-N 2.95Å; R190-L194 WeakPolarHBondContact O-CB 3.5Å; R190-L194 PolarHBondContact O-N 3.03Å
191A97.3Very high97.2Very high0 Ų055.1 Ų55.10%027%0.273CS..Hα-helixtrans-57.1-53.9175.900000110.8S178 Y182 S187 P188 R193 L194 A195 W231S178-A191 WeakPolarHBondContact O-CB 3.25Å; Y182-A191 HydrophobicContact CD2-CB 4.39Å; S187-A191 PolarHBondContact O-N 2.92Å; P188-A191 PolarHBondContact O-N 3.48Å; A191-R193 PolarHBondContact O-N 3.4Å; A191-L194 PolarHBondContact O-N 3.48Å; A191-A195 WeakPolarHBondContact O-CB 3.29Å; A191-A195 PolarHBondContact O-N 3.39Å; A191-W231 HydrophobicContact CB-CE3 3.99Å; A191-W231 HydrophobicContact CB-CH2 4.42Å; A191-W231 HydrophobicContact CB-CZ3 3.92Å
192C97.4Very high97.1Very high19 Ų1953.8 Ų53.813%0.12827%0.268CS..Hα-helixtrans-62.5-41.2179.2-67.60000112.2P188 L194 K196 L228P188-C192 WeakPolarHBondContact O-CB 3.39Å; P188-C192 PolarHBondContact O-N 2.94Å; P188-C192 PolarHBondContact O-SG 3.27Å; P188-C192 VanDerWaalsContact O-SG 3.34Å; C192-L194 PolarHBondContact O-N 3.18Å; C192-K196 WeakPolarHBondContact O-CB 3.48Å; C192-K196 PolarHBondContact O-N 3.38Å; C192-L228 HydrophobicContact CB-CD2 4.06Å; C192-L228 WeakPolarHBondContact O-CD2 3.25Å
193R97.7Very high97Very high154 Ų15456.4 Ų56.458%0.58128%0.283SS*.Hα-helixtrans-64.1-41.1179.5-159.2-174.7-54.7119.27.9111.7D189 R190 A191 A197D189-R193 VanDerWaalsContact O-CB 3.23Å; D189-R193 WeakPolarHBondContact O-CB 3.26Å; D189-R193 PolarHBondContact O-N 2.88Å; D189-R193 VanDerWaalsContact O-N 3.14Å; D189-R193 IonicContact OD2-CZ 3.51Å; D189-R193 IonicContact OD2-NH1 2.76Å; D189-R193 IonicContact OD2-NH2 2.63Å; D189-R193 PolarHBondContact OD2-NH2 2.77Å; R190-R193 PolarHBondContact O-N 2.95Å; A191-R193 PolarHBondContact O-N 3.4Å; R193-A197 WeakPolarHBondContact O-CB 3.38Å; R193-A197 PolarHBondContact O-N 3.23Å; R193-A197 VanDerWaalsContact O-N 3.12Å
194L98.1Very high97Very high43 Ų4357.2 Ų57.223%0.22530%0.301CS..Hα-helixtrans-68.7-50.8177.7179.262.9000111.8F177 Y181 R190 A191 C192 K196 A197 A198F177-L194 HydrophobicContact CB-CD2 3.79Å; F177-L194 HydrophobicContact CD1-CD2 3.61Å; F177-L194 HydrophobicContact CE1-CD2 4.39Å; F177-L194 HydrophobicContact CG-CD2 3.71Å; Y181-L194 HydrophobicContact CD2-CD2 4Å; Y181-L194 HydrophobicContact CE2-CD2 3.99Å; R190-L194 WeakPolarHBondContact O-CB 3.5Å; R190-L194 PolarHBondContact O-N 3.03Å; A191-L194 PolarHBondContact O-N 3.48Å; C192-L194 PolarHBondContact O-N 3.18Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 2.88Å; L194-A197 PolarHBondContact O-N 3.01Å; L194-A198 PolarHBondContact O-N 3.19Å
195A97.7Very high96.9Very high0 Ų060.6 Ų60.60%032%0.317CS..Hα-helixtrans-61.9-42-179.100000111.7A191 A198 F199 L224 L228 W231A191-A195 WeakPolarHBondContact O-CB 3.29Å; A191-A195 PolarHBondContact O-N 3.39Å; A195-A198 PolarHBondContact O-N 2.8Å; A195-F199 WeakPolarHBondContact O-CB 3.36Å; A195-F199 PolarHBondContact O-N 3.03Å; A195-L224 HydrophobicContact CB-CD2 3.77Å; A195-L228 HydrophobicContact CB-CD1 4.21Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.84Å; A195-W231 HydrophobicContact CB-CZ3 4.14Å
196K97.6Very high96.6Very high118 Ų11859.8 Ų59.851%0.51331%0.313SS..Hα-helixtrans-64.7-45.8177.4-176.5173.5-178.5177.30112.2C192 L194 A198 F199 D200 L228C192-K196 WeakPolarHBondContact O-CB 3.48Å; C192-K196 PolarHBondContact O-N 3.38Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 2.88Å; K196-A198 VanDerWaalsContact C-N 3.34Å; K196-A198 PolarHBondContact O-N 3.06Å; K196-F199 PolarHBondContact O-N 3.25Å; K196-D200 WeakPolarHBondContact CE-OD2 3.32Å; K196-D200 WeakPolarHBondContact CG-OD2 3.38Å; K196-D200 WeakPolarHBondContact O-CB 3.27Å; K196-D200 VanDerWaalsContact O-CG 3.27Å; K196-D200 PolarHBondContact O-N 2.99Å; K196-L228 HydrophobicContact CB-CD1 4.22Å; K196-L228 HydrophobicContact CB-CD2 4.12Å
197A98.1Very high96.3Very high45 Ų4561.3 Ų61.337%0.37232%0.321SS..Hα-helixtrans-59.4-45.9177.800000111.5R193 L194 F199 D200 D201R193-A197 WeakPolarHBondContact O-CB 3.38Å; R193-A197 PolarHBondContact O-N 3.23Å; R193-A197 VanDerWaalsContact O-N 3.12Å; L194-A197 PolarHBondContact O-N 3.01Å; A197-F199 PolarHBondContact O-N 3.43Å; A197-D200 PolarHBondContact O-N 3.3Å; A197-D201 WeakPolarHBondContact O-CB 3.39Å; A197-D201 PolarHBondContact O-N 3.06Å
198A98Very high95.9Very high16 Ų1665.2 Ų65.213%0.13234%0.344CS..Hα-helixtrans-63.5-40.1177.700000112.8A174 L194 A195 K196 A202 L224A174-A198 HydrophobicContact CB-CB 3.37Å; L194-A198 PolarHBondContact O-N 3.19Å; A195-A198 PolarHBondContact O-N 2.8Å; K196-A198 VanDerWaalsContact C-N 3.34Å; K196-A198 PolarHBondContact O-N 3.06Å; A198-A202 VanDerWaalsContact O-CB 3.28Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.26Å; A198-A202 VanDerWaalsContact O-N 3.07Å; A198-L224 HydrophobicContact CB-CD1 4.4Å
199F97.5Very high95.5Very high38 Ų3865.4 Ų65.417%0.16734%0.343CS..Hα-helixtrans-66.4-46.9177.2-174.6-97.6000111.9A195 K196 A197 A202 I203 M221 L224 R225A195-F199 WeakPolarHBondContact O-CB 3.36Å; A195-F199 PolarHBondContact O-N 3.03Å; K196-F199 PolarHBondContact O-N 3.25Å; A197-F199 PolarHBondContact O-N 3.43Å; F199-A202 PolarHBondContact O-N 3.16Å; F199-I203 HydrophobicContact CD1-CD1 3.62Å; F199-I203 HydrophobicContact CD1-CG1 4.33Å; F199-I203 HydrophobicContact CE1-CD1 3.09Å; F199-I203 HydrophobicContact CE1-CG1 4.12Å; F199-I203 HydrophobicContact CE2-CD1 4.34Å; F199-I203 HydrophobicContact CG-CD1 4.45Å; F199-I203 HydrophobicContact CZ-CD1 3.51Å; F199-I203 HydrophobicContact CZ-CG1 4.33Å; F199-I203 WeakPolarHBondContact O-CB 3.44Å; F199-I203 WeakPolarHBondContact O-CG1 3.47Å; F199-I203 PolarHBondContact O-N 2.9Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 WeakPolarHBondContact CD2-O 3.35Å; F199-M221 HydrophobicContact CE2-CB 4.07Å; F199-M221 HydrophobicContact CE2-CE 4.47Å; F199-M221 VanDerWaalsContact CE2-O 3.27Å; F199-M221 WeakPolarHBondContact CE2-O 3.38Å; F199-L224 HydrophobicContact CD2-CB 4.36Å; F199-R225 HydrophobicContact CD2-CB 4.45Å; F199-R225 HydrophobicContact CE2-CB 3.88Å; F199-R225 HydrophobicContact CE2-CG 4.48Å; F199-R225 HydrophobicContact CZ-CB 4.18Å; F199-R225 HydrophobicContact CZ-CG 4.28Å
200D97.8Very high95Very high77 Ų7765 Ų6541%0.41235%0.346SS..Hα-helixtrans-64.6-43.8179.6-70-16.2000111.2K196 A197 A202 I203 A204K196-D200 WeakPolarHBondContact CE-OD2 3.32Å; K196-D200 WeakPolarHBondContact CG-OD2 3.38Å; K196-D200 WeakPolarHBondContact O-CB 3.27Å; K196-D200 VanDerWaalsContact O-CG 3.27Å; K196-D200 PolarHBondContact O-N 2.99Å; A197-D200 PolarHBondContact O-N 3.3Å; D200-A202 PolarHBondContact O-N 3.17Å; D200-I203 PolarHBondContact O-N 3.13Å; D200-A204 PolarHBondContact O-N 3.27Å; D200-A204 VanDerWaalsContact O-N 3.13Å
201D97.1Very high94.4Very high77 Ų7768.1 Ų68.141%0.41237%0.365SS..Hα-helixtrans-62.1-42.9176.6-71.4-12.5000111.4P165 A197 A204P165-D201 HydrophobicContact CB-CB 3.92Å; P165-D201 HydrophobicContact CG-CB 4.42Å; A197-D201 WeakPolarHBondContact O-CB 3.39Å; A197-D201 PolarHBondContact O-N 3.06Å; D201-A204 PolarHBondContact O-N 2.95Å
202A96.4Very high93.7Very high0 Ų076.4 Ų76.40%040%0.404CS..Hα-helixtrans-72-35.3179.400000112.9T166 L171 A198 F199 D200 A204 E205 L206 M221T166-A202 HydrophobicContact CG2-CB 4.38Å; T166-A202 WeakPolarHBondContact CG2-O 3.45Å; L171-A202 HydrophobicContact CD2-CB 3.7Å; A198-A202 VanDerWaalsContact O-CB 3.28Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.26Å; A198-A202 VanDerWaalsContact O-N 3.07Å; F199-A202 PolarHBondContact O-N 3.16Å; D200-A202 PolarHBondContact O-N 3.17Å; A202-A204 VanDerWaalsContact C-N 3.29Å; A202-A204 PolarHBondContact O-N 3.2Å; A202-E205 PolarHBondContact O-N 3Å; A202-L206 WeakPolarHBondContact O-CA 3.19Å; A202-L206 WeakPolarHBondContact O-CB 3.1Å; A202-L206 PolarHBondContact O-N 3.48Å; A202-M221 HydrophobicContact CB-CE 3.88Å; A202-M221 HydrophobicContact CB-CG 4.33Å; A202-M221 HydrophobicContact CB-SD 3.91Å
203I95.7Very high93.2Very high85 Ų8577.2 Ų77.244%0.43641%0.41SS..Hα-helixtrans-59.5-42.7172.4-80.8-175.9000111F199 D200 E205 L206 M221F199-I203 HydrophobicContact CD1-CD1 3.62Å; F199-I203 HydrophobicContact CD1-CG1 4.33Å; F199-I203 HydrophobicContact CE1-CD1 3.09Å; F199-I203 HydrophobicContact CE1-CG1 4.12Å; F199-I203 HydrophobicContact CE2-CD1 4.34Å; F199-I203 HydrophobicContact CG-CD1 4.45Å; F199-I203 HydrophobicContact CZ-CD1 3.51Å; F199-I203 HydrophobicContact CZ-CG1 4.33Å; F199-I203 WeakPolarHBondContact O-CB 3.44Å; F199-I203 WeakPolarHBondContact O-CG1 3.47Å; F199-I203 PolarHBondContact O-N 2.9Å; D200-I203 PolarHBondContact O-N 3.13Å; I203-E205 PolarHBondContact O-N 2.85Å; I203-L206 PolarHBondContact O-N 3.29Å; I203-M221 HydrophobicContact CB-CE 4.43Å; I203-M221 HydrophobicContact CG1-CE 3.52Å
204A95.6Very high92.8Very high86 Ų8675.4 Ų75.471%0.71140%0.404SS*.Hα-helixtrans-62.4-24.6-177.200000113.3D200 D201 A202D200-A204 PolarHBondContact O-N 3.27Å; D200-A204 VanDerWaalsContact O-N 3.13Å; D201-A204 PolarHBondContact O-N 2.95Å; A202-A204 VanDerWaalsContact C-N 3.29Å; A202-A204 PolarHBondContact O-N 3.2Å
205E94.8Very high92.4Very high80 Ų8080.6 Ų80.637%0.37443%0.425SS..Hα-helixtrans-115.15.8-178.4-66.9-173.7-156.800113.4P165 T166 A202 I203 D207 T208P165-E205 WeakPolarHBondContact CD-OE2 3.44Å; T166-E205 HydrophobicContact CG2-CB 3.79Å; A202-E205 PolarHBondContact O-N 3Å; I203-E205 PolarHBondContact O-N 2.85Å; E205-D207 VanDerWaalsContact C-N 3.26Å; E205-D207 PolarHBondContact O-N 3.39Å; E205-T208 WeakPolarHBondContact O-CB 3.33Å; E205-T208 PolarHBondContact O-N 2.95Å; E205-T208 PolarHBondContact O-OG1 2.98Å
206L91.3Very high92.1Very high37 Ų3781.7 Ų81.719%0.19443%0.431CS..G310 helixtrans-58.6-37.3-172.3-169.774.7000112.8A202 I203 T208 L209 T218 M221A202-L206 WeakPolarHBondContact O-CA 3.19Å; A202-L206 WeakPolarHBondContact O-CB 3.1Å; A202-L206 PolarHBondContact O-N 3.48Å; I203-L206 PolarHBondContact O-N 3.29Å; L206-T208 PolarHBondContact O-N 3.33Å; L206-L209 HydrophobicContact CD1-CD1 3.46Å; L206-L209 VanDerWaalsContact CD1-CD1 3.46Å; L206-L209 HydrophobicContact CG-CD1 4.31Å; L206-L209 WeakPolarHBondContact O-CB 3.03Å; L206-L209 PolarHBondContact O-N 3.5Å; L206-T218 HydrophobicContact CD1-CG2 4.06Å; L206-M221 HydrophobicContact CD1-CE 4.01Å; L206-M221 HydrophobicContact CD1-SD 3.62Å
207D90.2Very high92Very high168 Ų16876.1 Ų76.190%0.89841%0.406SS*.G310 helixtrans-65.1-10.6179.4-67.8-24.5000113.4E205E205-D207 VanDerWaalsContact C-N 3.26Å; E205-D207 PolarHBondContact O-N 3.39Å
208T87.4Confident91.8Very high104 Ų10476 Ų7664%0.63840%0.401SS*.G310 helixtrans-94.5-6.7-18072.60000113.7E205 L206E205-T208 WeakPolarHBondContact O-CB 3.33Å; E205-T208 PolarHBondContact O-N 2.95Å; E205-T208 PolarHBondContact O-OG1 2.98Å; L206-T208 PolarHBondContact O-N 3.33Å
209L86.5Confident91.7Very high33 Ų3377.7 Ų77.717%0.17341%0.408CS..  trans-66.4143.3-176.4-87.2163.6000112.9T166 L206 Y214T166-L209 HydrophobicContact CG2-CD1 4.14Å; T166-L209 HydrophobicContact CG2-CG 4.11Å; L206-L209 HydrophobicContact CD1-CD1 3.46Å; L206-L209 VanDerWaalsContact CD1-CD1 3.46Å; L206-L209 HydrophobicContact CG-CD1 4.31Å; L206-L209 WeakPolarHBondContact O-CB 3.03Å; L206-L209 PolarHBondContact O-N 3.5Å; L209-Y214 HydrophobicContact CB-CD2 4.18Å; L209-Y214 HydrophobicContact CD1-CD2 4.35Å
210S85.3Confident91.6Very high61 Ų6175.9 Ų75.943%0.42740%0.4SS..  trans-72.2155166.366.30000110.7E212 S213 Y214S210-E212 PolarHBondContact O-N 2.9Å; S210-S213 PolarHBondContact O-N 2.97Å; S210-S213 PolarHBondContact OG-N 3.41Å; S210-Y214 WeakPolarHBondContact O-CB 3.34Å; S210-Y214 PolarHBondContact O-N 3.01Å
211E84.4Confident91.6Very high189 Ų18972.7 Ų72.788%0.88338%0.383SS*.Hα-helixtrans-58.3-33.3175.8-169175.7-176.400112.3
212E82.7Confident91.5Very high175 Ų17572.1 Ų72.182%0.81838%0.377SS*.Hα-helixtrans-65.3-43.2179.5-173.5174.7-167.700112.6S210S210-E212 PolarHBondContact O-N 2.9Å
213S86.6Confident91.5Very high35 Ų3572.3 Ų72.325%0.24538%0.378CS..Hα-helixtrans-88.5-18.1179.9-57.20000113.4S210 K215 D216 S217S210-S213 PolarHBondContact O-N 2.97Å; S210-S213 PolarHBondContact OG-N 3.41Å; S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 3.14Å; S213-D216 PolarHBondContact O-N 3.43Å; S213-S217 WeakPolarHBondContact O-CB 3.48Å; S213-S217 PolarHBondContact O-N 3.06Å; S213-S217 PolarHBondContact O-OG 3.39Å; S213-S217 VanDerWaalsContact O-OG 3.13Å
214Y89.4Confident91.6Very high116 Ų11668.2 Ų68.246%0.45536%0.358SS..Hα-helixtrans-56.2-44.8-173.4-172-90.5000112.7L209 S210 T218L209-Y214 HydrophobicContact CB-CD2 4.18Å; L209-Y214 HydrophobicContact CD1-CD2 4.35Å; S210-Y214 WeakPolarHBondContact O-CB 3.34Å; S210-Y214 PolarHBondContact O-N 3.01Å; Y214-T218 HydrophobicContact CD1-CG2 4.11Å; Y214-T218 HydrophobicContact CD2-CG2 4.38Å; Y214-T218 HydrophobicContact CE1-CG2 3.82Å; Y214-T218 HydrophobicContact CE2-CG2 4.12Å; Y214-T218 HydrophobicContact CG-CG2 4.38Å; Y214-T218 WeakPolarHBondContact O-CB 3.47Å; Y214-T218 VanDerWaalsContact O-CG2 3.25Å; Y214-T218 WeakPolarHBondContact O-CG2 3.27Å; Y214-T218 PolarHBondContact O-N 2.85Å; Y214-T218 PolarHBondContact O-OG1 3.22Å
215K91.1Very high91.6Very high152 Ų15269.7 Ų69.766%0.66135%0.345SS*.Hα-helixtrans-62.5-50.1-178.1-174.9-170.9171.4-1600111.7S213 T218 L219S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 3.14Å; K215-T218 PolarHBondContact O-OG1 3.4Å; K215-L219 WeakPolarHBondContact O-CB 3.42Å; K215-L219 PolarHBondContact O-N 3.09Å; K215-L219 VanDerWaalsContact O-N 3.07Å
216D91.5Very high91.6Very high24 Ų2468.5 Ų68.513%0.12834%0.341CS..Hα-helixtrans-70-44.4-175.6-67.3-7.5000110.7P168 S213 T218 L219 I220 S261P168-D216 HydrophobicContact CB-CB 4.13Å; P168-D216 HydrophobicContact CG-CB 4.04Å; S213-D216 PolarHBondContact O-N 3.43Å; D216-T218 PolarHBondContact O-N 2.98Å; D216-L219 PolarHBondContact O-N 3.13Å; D216-I220 VanDerWaalsContact O-CG1 3.27Å; D216-I220 WeakPolarHBondContact O-CG1 3.5Å; D216-I220 PolarHBondContact O-N 3.3Å; D216-S261 PolarHBondContact OD2-OG 3.07Å
217S94.4Very high91.8Very high0 Ų066.9 Ų66.90%033%0.332CS..Hα-helixtrans-61.9-45.2178-62.10000112.4T166 P168 S213 L219 I220 M221T166-S217 WeakPolarHBondContact O-CB 3.47Å; T166-S217 PolarHBondContact O-OG 3Å; P168-S217 WeakPolarHBondContact CD-OG 3.47Å; P168-S217 WeakPolarHBondContact CG-OG 3.39Å; S213-S217 WeakPolarHBondContact O-CB 3.48Å; S213-S217 PolarHBondContact O-N 3.06Å; S213-S217 PolarHBondContact O-OG 3.39Å; S213-S217 VanDerWaalsContact O-OG 3.13Å; S217-L219 PolarHBondContact O-N 3.41Å; S217-I220 PolarHBondContact O-N 3.35Å; S217-M221 WeakPolarHBondContact O-CB 3.25Å; S217-M221 VanDerWaalsContact O-CG 3.23Å; S217-M221 WeakPolarHBondContact O-CG 3.33Å; S217-M221 PolarHBondContact O-N 3.1Å
218T94.6Very high92Very high43 Ų4360 Ų6026%0.26430%0.296SS..Hα-helixtrans-68.7-34.4179.954.10000112.6L206 Y214 K215 D216 M221 Q222L206-T218 HydrophobicContact CD1-CG2 4.06Å; Y214-T218 HydrophobicContact CD1-CG2 4.11Å; Y214-T218 HydrophobicContact CD2-CG2 4.38Å; Y214-T218 HydrophobicContact CE1-CG2 3.82Å; Y214-T218 HydrophobicContact CE2-CG2 4.12Å; Y214-T218 HydrophobicContact CG-CG2 4.38Å; Y214-T218 WeakPolarHBondContact O-CB 3.47Å; Y214-T218 VanDerWaalsContact O-CG2 3.25Å; Y214-T218 WeakPolarHBondContact O-CG2 3.27Å; Y214-T218 PolarHBondContact O-N 2.85Å; Y214-T218 PolarHBondContact O-OG1 3.22Å; K215-T218 PolarHBondContact O-OG1 3.4Å; D216-T218 PolarHBondContact O-N 2.98Å; T218-M221 PolarHBondContact O-N 3.22Å; T218-Q222 WeakPolarHBondContact O-CB 3.32Å; T218-Q222 PolarHBondContact O-N 3.12Å
219L94.7Very high92.4Very high52 Ų5259.4 Ų59.427%0.27229%0.292SS..Hα-helixtrans-60.7-48.3171.4178.657.4000110.7K215 D216 S217 M221 Q222 L223 V260K215-L219 WeakPolarHBondContact O-CB 3.42Å; K215-L219 PolarHBondContact O-N 3.09Å; K215-L219 VanDerWaalsContact O-N 3.07Å; D216-L219 PolarHBondContact O-N 3.13Å; S217-L219 PolarHBondContact O-N 3.41Å; L219-M221 PolarHBondContact O-N 2.97Å; L219-Q222 WeakPolarHBondContact O-CB 3.36Å; L219-Q222 PolarHBondContact O-N 3.4Å; L219-L223 WeakPolarHBondContact O-CG 3.43Å; L219-L223 PolarHBondContact O-N 3.3Å; L219-L223 VanDerWaalsContact O-N 3.14Å; L219-V260 HydrophobicContact CD2-CG2 3.77Å; L219-V260 HydrophobicContact CG-CG2 4.15Å
220I96.2Very high92.6Very high0 Ų058.7 Ų58.70%029%0.288CS..Hα-helixtrans-65.4-39.4179.2-57.5162.6000111.7P168 L171 L175 D216 S217 Q222 L223 L224 V260P168-I220 HydrophobicContact CB-CD1 4Å; P168-I220 WeakPolarHBondContact O-CD1 3.48Å; L171-I220 HydrophobicContact CB-CB 4.1Å; L171-I220 HydrophobicContact CB-CD1 4.13Å; L171-I220 HydrophobicContact CB-CG2 3.66Å; L175-I220 HydrophobicContact CB-CG2 4.23Å; L175-I220 HydrophobicContact CD2-CG2 4.14Å; D216-I220 VanDerWaalsContact O-CG1 3.27Å; D216-I220 WeakPolarHBondContact O-CG1 3.5Å; D216-I220 PolarHBondContact O-N 3.3Å; S217-I220 PolarHBondContact O-N 3.35Å; I220-Q222 VanDerWaalsContact C-N 3.27Å; I220-Q222 PolarHBondContact O-N 3.35Å; I220-L223 WeakPolarHBondContact O-CB 3.39Å; I220-L223 PolarHBondContact O-N 2.87Å; I220-L224 HydrophobicContact CG2-CD1 4.48Å; I220-L224 PolarHBondContact O-N 2.88Å; I220-V260 HydrophobicContact CD1-CG1 3.55Å; I220-V260 HydrophobicContact CG1-CG1 3.66Å; I220-V260 HydrophobicContact CG1-CG2 4.03Å
221M96.6Very high93Very high10 Ų1055.8 Ų55.85%0.04927%0.268CS..Hα-helixtrans-61.5-37175.3-72.1171.174.100112L171 F199 A202 I203 L206 S217 T218 L219 L224 R225L171-M221 HydrophobicContact CD1-CG 3.94Å; L171-M221 HydrophobicContact CD1-SD 4.37Å; L171-M221 HydrophobicContact CD2-CG 4.02Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 WeakPolarHBondContact CD2-O 3.35Å; F199-M221 HydrophobicContact CE2-CB 4.07Å; F199-M221 HydrophobicContact CE2-CE 4.47Å; F199-M221 VanDerWaalsContact CE2-O 3.27Å; F199-M221 WeakPolarHBondContact CE2-O 3.38Å; A202-M221 HydrophobicContact CB-CE 3.88Å; A202-M221 HydrophobicContact CB-CG 4.33Å; A202-M221 HydrophobicContact CB-SD 3.91Å; I203-M221 HydrophobicContact CB-CE 4.43Å; I203-M221 HydrophobicContact CG1-CE 3.52Å; L206-M221 HydrophobicContact CD1-CE 4.01Å; L206-M221 HydrophobicContact CD1-SD 3.62Å; S217-M221 WeakPolarHBondContact O-CB 3.25Å; S217-M221 VanDerWaalsContact O-CG 3.23Å; S217-M221 WeakPolarHBondContact O-CG 3.33Å; S217-M221 PolarHBondContact O-N 3.1Å; T218-M221 PolarHBondContact O-N 3.22Å; L219-M221 PolarHBondContact O-N 2.97Å; M221-L224 PolarHBondContact O-N 2.73Å; M221-R225 PolarHBondContact O-N 3.24Å
222Q96.1Very high93.3Very high64 Ų6449.8 Ų49.830%0.29924%0.244SC..Hα-helixtrans-61.3-46.8173.5176.557.938.900111.1T218 L219 I220 L224 R225 D226T218-Q222 WeakPolarHBondContact O-CB 3.32Å; T218-Q222 PolarHBondContact O-N 3.12Å; L219-Q222 WeakPolarHBondContact O-CB 3.36Å; L219-Q222 PolarHBondContact O-N 3.4Å; I220-Q222 VanDerWaalsContact C-N 3.27Å; I220-Q222 PolarHBondContact O-N 3.35Å; Q222-L224 PolarHBondContact O-N 2.76Å; Q222-R225 WeakPolarHBondContact O-CB 3.27Å; Q222-R225 PolarHBondContact O-N 3.11Å; Q222-D226 PolarHBondContact NE2-OD1 3.2Å; Q222-D226 PolarHBondContact NE2-OD2 3.04Å; Q222-D226 PolarHBondContact O-N 3.19Å
223L96.4Very high93.6Very high4 Ų444.1 Ų44.12%0.02122%0.224CC..Hα-helixtrans-61.3-41.9176.7-56.6171.9000112.3L175 L219 I220 R225 D226 N227 Q253 Q258L175-L223 HydrophobicContact CD1-CB 4.17Å; L175-L223 HydrophobicContact CD2-CB 3.63Å; L175-L223 HydrophobicContact CD2-CD1 3.61Å; L175-L223 HydrophobicContact CD2-CG 4.27Å; L219-L223 WeakPolarHBondContact O-CG 3.43Å; L219-L223 PolarHBondContact O-N 3.3Å; L219-L223 VanDerWaalsContact O-N 3.14Å; I220-L223 WeakPolarHBondContact O-CB 3.39Å; I220-L223 PolarHBondContact O-N 2.87Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 2.83Å; L223-D226 PolarHBondContact O-N 3.2Å; L223-N227 WeakPolarHBondContact O-CB 3.46Å; L223-N227 PolarHBondContact O-N 2.66Å; L223-Q253 HydrophobicContact CD2-CB 4.21Å; L223-Q258 HydrophobicContact CD1-CB 4.1Å; L223-Q258 HydrophobicContact CD1-CG 3.69Å; L223-Q258 HydrophobicContact CD2-CG 3.72Å; L223-Q258 HydrophobicContact CG-CG 4.34Å
224L97.1Very high93.5Very high0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-57.9-44.9174.7-79.5167.8000111.5L171 L175 A195 A198 F199 I220 M221 Q222 L228L171-L224 HydrophobicContact CD2-CD1 3.98Å; L175-L224 HydrophobicContact CB-CD2 3.95Å; L175-L224 HydrophobicContact CB-CG 4.22Å; L175-L224 HydrophobicContact CD1-CD2 3.95Å; L175-L224 HydrophobicContact CD1-CG 4.17Å; A195-L224 HydrophobicContact CB-CD2 3.77Å; A198-L224 HydrophobicContact CB-CD1 4.4Å; F199-L224 HydrophobicContact CD2-CB 4.36Å; I220-L224 HydrophobicContact CG2-CD1 4.48Å; I220-L224 PolarHBondContact O-N 2.88Å; M221-L224 PolarHBondContact O-N 2.73Å; Q222-L224 PolarHBondContact O-N 2.76Å; L224-L228 WeakPolarHBondContact O-CB 3.37Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 3.43Å
225R96.3Very high93.2Very high116 Ų11642.2 Ų42.244%0.43822%0.218SC..Hα-helixtrans-65.1-41.2178.4-170.8-172.173.5-164.55112.1F199 M221 Q222 L223 L228 T229F199-R225 HydrophobicContact CD2-CB 4.45Å; F199-R225 HydrophobicContact CE2-CB 3.88Å; F199-R225 HydrophobicContact CE2-CG 4.48Å; F199-R225 HydrophobicContact CZ-CB 4.18Å; F199-R225 HydrophobicContact CZ-CG 4.28Å; M221-R225 PolarHBondContact O-N 3.24Å; Q222-R225 WeakPolarHBondContact O-CB 3.27Å; Q222-R225 PolarHBondContact O-N 3.11Å; L223-R225 VanDerWaalsContact C-N 3.32Å; L223-R225 PolarHBondContact O-N 2.83Å; R225-L228 PolarHBondContact O-N 3.13Å; R225-T229 PolarHBondContact O-N 3.39Å; R225-T229 PolarHBondContact O-OG1 3.27Å
226D95.8Very high92.8Very high55 Ų5541.2 Ų41.229%0.29422%0.215SC..Hα-helixtrans-67.9-44.8-177.9-64.7-10.4000110.2Q222 L223 L228 T229 L230Q222-D226 PolarHBondContact NE2-OD1 3.2Å; Q222-D226 PolarHBondContact NE2-OD2 3.04Å; Q222-D226 PolarHBondContact O-N 3.19Å; L223-D226 PolarHBondContact O-N 3.2Å; D226-L228 PolarHBondContact O-N 3.03Å; D226-T229 WeakPolarHBondContact O-CB 2.99Å; D226-T229 PolarHBondContact O-N 2.91Å; D226-T229 VanDerWaalsContact O-N 3.16Å; D226-L230 PolarHBondContact O-N 3.4Å
227N94.6Very high92Very high3 Ų342.5 Ų42.52%0.01623%0.229CC..Hα-helixtrans-60.3-43.2172-79.2-7.6000113L175 L223 T229 L230 W231 Q253L175-N227 WeakPolarHBondContact CD1-ND2 3.29Å; L223-N227 WeakPolarHBondContact O-CB 3.46Å; L223-N227 PolarHBondContact O-N 2.66Å; N227-T229 PolarHBondContact O-N 2.8Å; N227-L230 PolarHBondContact O-N 3.47Å; N227-W231 HydrophobicContact CB-CD2 4.27Å; N227-W231 HydrophobicContact CB-CE3 4.23Å; N227-W231 HydrophobicContact CB-CH2 3.69Å; N227-W231 HydrophobicContact CB-CZ2 3.73Å; N227-W231 HydrophobicContact CB-CZ3 3.94Å; N227-W231 WeakPolarHBondContact O-CB 3.49Å; N227-W231 VanDerWaalsContact O-CD2 3.22Å; N227-W231 PolarHBondContact O-N 2.95Å; N227-Q253 PolarHBondContact ND2-O 3.01Å; N227-Q253 PolarHBondContact OD1-N 3.28Å; N227-Q253 VanDerWaalsContact OD1-N 3.16Å
228L95Very high90.7Very high25 Ų2550 Ų5013%0.13126%0.264CS..Hα-helixtrans-58.4-38.8175.5-81.7168.1000112.2C192 A195 K196 L224 R225 D226 T232C192-L228 HydrophobicContact CB-CD2 4.06Å; C192-L228 WeakPolarHBondContact O-CD2 3.25Å; A195-L228 HydrophobicContact CB-CD1 4.21Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.84Å; K196-L228 HydrophobicContact CB-CD1 4.22Å; K196-L228 HydrophobicContact CB-CD2 4.12Å; L224-L228 WeakPolarHBondContact O-CB 3.37Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 3.43Å; R225-L228 PolarHBondContact O-N 3.13Å; D226-L228 PolarHBondContact O-N 3.03Å; L228-T232 VanDerWaalsContact O-CB 3.24Å; L228-T232 WeakPolarHBondContact O-CB 3.3Å; L228-T232 PolarHBondContact O-N 2.95Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 3Å
229T94.4Very high89.4Confident91 Ų9153.8 Ų53.856%0.55829%0.287SS*.Hα-helixtrans-65.4-51178.3-56.70000110.1R225 D226 N227 W231 T232 S233R225-T229 PolarHBondContact O-N 3.39Å; R225-T229 PolarHBondContact O-OG1 3.27Å; D226-T229 WeakPolarHBondContact O-CB 2.99Å; D226-T229 PolarHBondContact O-N 2.91Å; D226-T229 VanDerWaalsContact O-N 3.16Å; N227-T229 PolarHBondContact O-N 2.8Å; T229-W231 PolarHBondContact O-N 2.87Å; T229-T232 PolarHBondContact O-N 3.48Å; T229-S233 PolarHBondContact O-N 3.35Å; T229-S233 PolarHBondContact O-OG 3.44Å
230L91.8Very high87.7Confident18 Ų1855.3 Ų55.39%0.09430%0.295CS..Hα-helixtrans-58-49.1179179.362.1000112.4D226 N227 T232 S233 D234 E250 I252D226-L230 PolarHBondContact O-N 3.4Å; N227-L230 PolarHBondContact O-N 3.47Å; L230-T232 VanDerWaalsContact C-N 3.33Å; L230-T232 PolarHBondContact O-N 2.87Å; L230-S233 PolarHBondContact O-N 3.25Å; L230-S233 PolarHBondContact O-OG 3.45Å; L230-D234 PolarHBondContact O-N 3.5Å; L230-E250 HydrophobicContact CD1-CB 3.95Å; L230-E250 HydrophobicContact CD2-CB 4.26Å; L230-I252 HydrophobicContact CD2-CG1 3.77Å
231W93.7Very high85.6Confident0 Ų061.2 Ų61.20%033%0.333CS..Hα-helixtrans-69.8-32.3-177.9-58.5-25.2000112.4S178 V179 Y182 A191 A195 N227 T229 M235 I252S178-W231 VanDerWaalsContact OG-CH2 3.31Å; S178-W231 WeakPolarHBondContact OG-CH2 3.31Å; V179-W231 HydrophobicContact CG2-CH2 4.14Å; V179-W231 HydrophobicContact CG2-CZ2 4.03Å; Y182-W231 AromaticContact CD1-CD1 3.9Å; Y182-W231 AromaticContact CD1-NE1 3.52Å; Y182-W231 HydrophobicContact CD2-CB 4.06Å; Y182-W231 AromaticContact CD2-CD1 3.36Å; Y182-W231 AromaticContact CD2-CD2 3.76Å; Y182-W231 HydrophobicContact CD2-CD2 3.76Å; Y182-W231 AromaticContact CD2-CE2 3.82Å; Y182-W231 AromaticContact CD2-CG 3.45Å; Y182-W231 HydrophobicContact CD2-CG 3.45Å; Y182-W231 VanDerWaalsContact CD2-CG 3.45Å; Y182-W231 AromaticContact CD2-NE1 3.56Å; Y182-W231 AromaticContact CE1-CD1 3.71Å; Y182-W231 AromaticContact CE1-NE1 3.73Å; Y182-W231 HydrophobicContact CE2-CB 3.76Å; Y182-W231 AromaticContact CE2-CD1 3.16Å; Y182-W231 HydrophobicContact CE2-CD2 4.25Å; Y182-W231 AromaticContact CE2-CG 3.45Å; Y182-W231 HydrophobicContact CE2-CG 3.45Å; Y182-W231 VanDerWaalsContact CE2-CG 3.45Å; Y182-W231 AromaticContact CE2-NE1 3.79Å; Y182-W231 AromaticContact CG-CD1 3.73Å; Y182-W231 HydrophobicContact CG-CD2 4.13Å; Y182-W231 AromaticContact CG-CE2 3.69Å; Y182-W231 HydrophobicContact CG-CG 4.13Å; Y182-W231 HydrophobicContact CG-CZ2 4.25Å; Y182-W231 AromaticContact CG-NE1 3.42Å; Y182-W231 AromaticContact CZ-CD1 3.34Å; Y182-W231 AromaticContact CZ-NE1 3.86Å; A191-W231 HydrophobicContact CB-CE3 3.99Å; A191-W231 HydrophobicContact CB-CH2 4.42Å; A191-W231 HydrophobicContact CB-CZ3 3.92Å; A195-W231 HydrophobicContact CB-CZ3 4.14Å; N227-W231 HydrophobicContact CB-CD2 4.27Å; N227-W231 HydrophobicContact CB-CE3 4.23Å; N227-W231 HydrophobicContact CB-CH2 3.69Å; N227-W231 HydrophobicContact CB-CZ2 3.73Å; N227-W231 HydrophobicContact CB-CZ3 3.94Å; N227-W231 WeakPolarHBondContact O-CB 3.49Å; N227-W231 VanDerWaalsContact O-CD2 3.22Å; N227-W231 PolarHBondContact O-N 2.95Å; T229-W231 PolarHBondContact O-N 2.87Å; W231-M235 VanDerWaalsContact O-CG 3.25Å; W231-M235 WeakPolarHBondContact O-CG 3.44Å; W231-M235 PolarHBondContact O-N 3.15Å; W231-M235 VanDerWaalsContact O-N 3.08Å; W231-I252 HydrophobicContact CZ2-CG2 3.89Å
232T90.7Very high83.8Confident62 Ų6267.7 Ų67.738%0.3837%0.369SS..Hα-helixtrans-70.4-36176-57.50000111.5L228 T229 L230 Q236L228-T232 VanDerWaalsContact O-CB 3.24Å; L228-T232 WeakPolarHBondContact O-CB 3.3Å; L228-T232 PolarHBondContact O-N 2.95Å; L228-T232 VanDerWaalsContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 3Å; T229-T232 PolarHBondContact O-N 3.48Å; L230-T232 VanDerWaalsContact C-N 3.33Å; L230-T232 PolarHBondContact O-N 2.87Å; T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.35Å; T232-Q236 PolarHBondContact O-N 2.96Å
233S88.9Confident81.8Confident57 Ų5767.2 Ų67.240%0.39938%0.375SS..Hα-helixtrans-67.9-42.217348.10000112.4T229 L230 M235 Q236 A237T229-S233 PolarHBondContact O-N 3.35Å; T229-S233 PolarHBondContact O-OG 3.44Å; L230-S233 PolarHBondContact O-N 3.25Å; L230-S233 PolarHBondContact O-OG 3.45Å; S233-M235 VanDerWaalsContact C-N 3.33Å; S233-M235 PolarHBondContact O-N 2.89Å; S233-Q236 PolarHBondContact O-N 3.23Å; S233-A237 PolarHBondContact O-N 2.65Å
234D85.1Confident79.2Confident38 Ų3870 Ų7020%0.20341%0.405CS..Hα-helixtrans-59.2-45.2177.4-76.1-4.4000111Y182 L230 Q236 A237 E238Y182-D234 PolarHBondContact OH-OD2 2.78Å; L230-D234 PolarHBondContact O-N 3.5Å; D234-Q236 VanDerWaalsContact C-N 3.27Å; D234-Q236 PolarHBondContact O-N 3.02Å; D234-A237 PolarHBondContact O-N 2.86Å; D234-E238 PolarHBondContact O-N 2.92Å
235M82.8Confident76.8Confident73 Ų7378.5 Ų78.536%0.3645%0.45SS..Hα-helixtrans-63.8-28.7176.1-71.6177.768.600113.5P188 W231 S233 V239P188-M235 HydrophobicContact CB-CG 4.06Å; P188-M235 HydrophobicContact CB-SD 3.89Å; P188-M235 HydrophobicContact CG-CG 4.3Å; P188-M235 HydrophobicContact CG-SD 4.37Å; W231-M235 VanDerWaalsContact O-CG 3.25Å; W231-M235 WeakPolarHBondContact O-CG 3.44Å; W231-M235 PolarHBondContact O-N 3.15Å; W231-M235 VanDerWaalsContact O-N 3.08Å; S233-M235 VanDerWaalsContact C-N 3.33Å; S233-M235 PolarHBondContact O-N 2.89Å; M235-V239 VanDerWaalsContact O-CG2 3.29Å; M235-V239 WeakPolarHBondContact O-CG2 3.45Å
236Q81.3Confident74.4Confident131 Ų13176.2 Ų76.261%0.61246%0.463SS*.Hα-helixtrans-78.1-39175.9-73.1173.114.200111.6T232 S233 D234 E238 V239 D240T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.35Å; T232-Q236 PolarHBondContact O-N 2.96Å; S233-Q236 PolarHBondContact O-N 3.23Å; D234-Q236 VanDerWaalsContact C-N 3.27Å; D234-Q236 PolarHBondContact O-N 3.02Å; Q236-E238 VanDerWaalsContact C-N 3.34Å; Q236-V239 PolarHBondContact O-N 3.24Å; Q236-V239 VanDerWaalsContact O-N 3.17Å; Q236-D240 PolarHBondContact O-N 3.24Å
237A76.2Confident71.8Confident51 Ų5182.1 Ų82.142%0.42149%0.489SS..Hα-helixtrans-65-35.9176.600000112.3S233 D234 V239 D240 A243S233-A237 PolarHBondContact O-N 2.65Å; D234-A237 PolarHBondContact O-N 2.86Å; A237-V239 PolarHBondContact O-N 2.87Å; A237-D240 PolarHBondContact O-N 3.45Å; A237-A243 HydrophobicContact CB-CB 4.41Å
238E67Low69.4Low157 Ų15787.7 Ų87.773%0.73453%0.526SS*.THydrogen-bonded Turntrans-65.9-22.8174.2-73-172.8174.700113.5D234 Q236D234-E238 PolarHBondContact O-N 2.92Å; Q236-E238 VanDerWaalsContact C-N 3.34Å
239V66.5Low67.4Low123 Ų12394.5 Ų94.575%0.74555%0.554SS**THydrogen-bonded Turntrans-91.5-24.5-179.1178.60000112.2M235 Q236 A237 P241M235-V239 VanDerWaalsContact O-CG2 3.29Å; M235-V239 WeakPolarHBondContact O-CG2 3.45Å; Q236-V239 PolarHBondContact O-N 3.24Å; Q236-V239 VanDerWaalsContact O-N 3.17Å; A237-V239 PolarHBondContact O-N 2.87Å; V239-P241 VanDerWaalsContact O-CD 3.25Å; V239-P241 WeakPolarHBondContact O-CD 3.43Å
240D58.7Low65.9Low84 Ų8497 Ų9745%0.44956%0.56SS.*  trans-102.998.4175.9-169.5-8.2000111.6Q236 A237 N242 A243Q236-D240 PolarHBondContact O-N 3.24Å; A237-D240 PolarHBondContact O-N 3.45Å; D240-N242 PolarHBondContact O-N 3.49Å; D240-N242 WeakPolarHBondContact OD1-CB 3.27Å; D240-N242 PolarHBondContact OD1-N 2.92Å; D240-A243 WeakPolarHBondContact O-CB 3.49Å; D240-A243 PolarHBondContact O-N 3.21Å
241P52.9Low64.9Low123 Ų123102.2 Ų102.280%0.79958%0.583SS**THydrogen-bonded Turntrans-65.3-4.8179.425.3-32.7000114.5V239V239-P241 VanDerWaalsContact O-CD 3.25Å; V239-P241 WeakPolarHBondContact O-CD 3.43Å
242N59.4Low64.2Low147 Ų147103.2 Ų103.279%0.78659%0.588SS**THydrogen-bonded Turntrans-98.2-0.3173.4-67.2-41.2000113.8D240 G244D240-N242 PolarHBondContact O-N 3.49Å; D240-N242 WeakPolarHBondContact OD1-CB 3.27Å; D240-N242 PolarHBondContact OD1-N 2.92Å; N242-G244 PolarHBondContact O-N 3.39Å; N242-G244 VanDerWaalsContact O-N 3.16Å
243A52.5Low63.8Low53 Ų53103.2 Ų103.244%0.43858%0.584SS.*SBendtrans-69.8108168.300000108.2A237 D240A237-A243 HydrophobicContact CB-CB 4.41Å; D240-A243 WeakPolarHBondContact O-CB 3.49Å; D240-A243 PolarHBondContact O-N 3.21Å
244G43.1Very low63.4Low63 Ų63100.6 Ų100.665%0.64957%0.566SS**  trans-56.6156.4-176.900000113N242 G246N242-G244 PolarHBondContact O-N 3.39Å; N242-G244 VanDerWaalsContact O-N 3.16Å; G244-G246 PolarHBondContact O-N 3.47Å
245D47Very low63.1Low178 Ų17899.6 Ų99.695%0.95256%0.561SS**SBendtrans-36.8104.9178.7-81.7-35.3000111
246G44.7Very low62.6Low69 Ų6997.3 Ų97.371%0.71155%0.55SS*.  trans-58.7146.1-169.300000112.4G244G244-G246 PolarHBondContact O-N 3.47Å
247E41.5Very low61.6Low178 Ų17894.1 Ų94.183%0.83254%0.537SS*.  trans-44.9153.2164.1-71.9179.4159.400111K249E247-K249 PolarHBondContact O-N 2.98Å; E247-K249 VanDerWaalsContact O-N 3.1Å
248P44.7Very low61.3Low121 Ų12194.5 Ų94.579%0.78653%0.529SS*.SBendtrans-49.6125.9-179.919.5-31.5000109.7E250P248-E250 PolarHBondContact O-N 3.2Å
249K53.6Low60.8Low168 Ų16894.1 Ų94.173%0.7353%0.533SS*.  trans-43.8114.9177.7-72.5-169.5172.5-165.30108.5E247 Q251E247-K249 PolarHBondContact O-N 2.98Å; E247-K249 VanDerWaalsContact O-N 3.1Å; K249-Q251 PolarHBondContact O-N 2.99Å
250E62.4Low60.4Low143 Ų14389.3 Ų89.367%0.66850%0.503SS*.PPolyproline II helixtrans-55.1143.3174.1-73.9-171.915600108.6L230 P248 I252L230-E250 HydrophobicContact CD1-CB 3.95Å; L230-E250 HydrophobicContact CD2-CB 4.26Å; P248-E250 PolarHBondContact O-N 3.2Å; E250-I252 PolarHBondContact O-N 3.49Å; E250-I252 VanDerWaalsContact O-N 3.16Å
251Q69.5Low60.1Low127 Ų12789.3 Ų89.359%0.59351%0.51SS*.PPolyproline II helixtrans-69.9117.4-175.4-166.3173.9-8.900109K249 Q253K249-Q251 PolarHBondContact O-N 2.99Å; Q251-Q253 PolarHBondContact O-N 3.34Å
252I80Confident60.5Low21 Ų2187.7 Ų87.711%0.10850%0.496CS..PPolyproline II helixtrans-59.5131.6174.2-65.2167.3000108.3V179 Y182 E183 L230 W231 E250V179-I252 HydrophobicContact CB-CG2 4.39Å; V179-I252 HydrophobicContact CG1-CG2 3.93Å; V179-I252 HydrophobicContact CG2-CG2 3.73Å; Y182-I252 HydrophobicContact CD1-CD1 3.32Å; Y182-I252 HydrophobicContact CE1-CD1 3.41Å; Y182-I252 VanDerWaalsContact CE1-CD1 3.41Å; Y182-I252 HydrophobicContact CG-CD1 4.39Å; E183-I252 HydrophobicContact CG-CD1 3.76Å; E183-I252 WeakPolarHBondContact OE1-CD1 3.42Å; L230-I252 HydrophobicContact CD2-CG1 3.77Å; W231-I252 HydrophobicContact CZ2-CG2 3.89Å; E250-I252 PolarHBondContact O-N 3.49Å; E250-I252 VanDerWaalsContact O-N 3.16Å
253Q81.3Confident60.5Low62 Ų6284.5 Ų84.529%0.2948%0.481SS..PPolyproline II helixtrans-98.1127.7-174.9-60.9-179-7.100109.8L223 N227 Q251L223-Q253 HydrophobicContact CD2-CB 4.21Å; N227-Q253 PolarHBondContact ND2-O 3.01Å; N227-Q253 PolarHBondContact OD1-N 3.28Å; N227-Q253 VanDerWaalsContact OD1-N 3.16Å; Q251-Q253 PolarHBondContact O-N 3.34Å
254D82.3Confident61Low2 Ų286.3 Ų86.31%0.01148%0.483CS..  trans-112.9173.6168.165.730.5000110.6R57 R130 V179 E256 D257R57-D254 IonicContact CZ-OD2 3.67Å; R57-D254 IonicContact NH1-OD2 2.65Å; R57-D254 IonicContact NH2-OD2 3.47Å; R57-D254 PolarHBondContact NH2-OD2 3.44Å; R130-D254 IonicContact CZ-OD2 2.74Å; R130-D254 IonicContact NH1-OD2 3.45Å; R130-D254 PolarHBondContact NH1-OD2 3.38Å; R130-D254 IonicContact NH2-OD2 3.82Å; R130-D254 PolarHBondContact NH2-OD2 3.43Å; V179-D254 HydrophobicContact CG2-CB 4.27Å; D254-E256 VanDerWaalsContact CG-OE2 3.23Å; D254-E256 PolarHBondContact O-N 3.17Å; D254-E256 VanDerWaalsContact O-N 3.16Å; D254-E256 WeakPolarHBondContact OD1-CA 3.4Å; D254-E256 WeakPolarHBondContact OD1-CB 3.42Å; D254-E256 PolarHBondContact OD1-N 3.2Å; D254-D257 PolarHBondContact O-N 3.46Å; D254-D257 PolarHBondContact OD1-N 2.96Å
255V77.5Confident62Low17 Ų1787.6 Ų87.610%0.10347%0.473CS..G310 helixtrans-59.9-25.2179.2179.40000111.4G172 L175 N176 Q258 V260G172-V255 VanDerWaalsContact CA-CG2 3.5Å; L175-V255 HydrophobicContact CB-CG2 4.31Å; L175-V255 HydrophobicContact CD2-CG2 3.74Å; L175-V255 HydrophobicContact CG-CG2 4.35Å; N176-V255 WeakPolarHBondContact OD1-CG2 2.85Å; N176-V255 PolarHBondContact OD1-N 3.43Å; V255-Q258 PolarHBondContact O-N 3.46Å; V255-V260 HydrophobicContact CG1-CB 3.9Å; V255-V260 HydrophobicContact CG1-CG1 4.2Å; V255-V260 HydrophobicContact CG1-CG2 4.39Å
256E71.5Confident62.9Low26 Ų2682 Ų8212%0.12144%0.443CS..G310 helixtrans-77.6-24.2-176.4-56.1107.9-155.300113.2K50 R57 R130 Y131 N176 D254 Q258K50-E256 WeakPolarHBondContact CE-O 3.37Å; K50-E256 HydrophobicContact CG-CB 4.34Å; R57-E256 IonicContact NH1-OE2 3.75Å; R57-E256 PolarHBondContact NH1-OE2 3.3Å; R130-E256 IonicContact CZ-OE2 3.01Å; R130-E256 IonicContact NH2-OE1 3.88Å; R130-E256 PolarHBondContact NH2-OE1 2.85Å; R130-E256 VanDerWaalsContact NH2-OE1 3.16Å; R130-E256 IonicContact NH2-OE2 2.87Å; R130-E256 PolarHBondContact NH2-OE2 3.36Å; Y131-E256 WeakPolarHBondContact CE1-OE2 3.5Å; Y131-E256 WeakPolarHBondContact OH-CG 3.49Å; Y131-E256 PolarHBondContact OH-OE1 3.44Å; Y131-E256 PolarHBondContact OH-OE2 3.03Å; N176-E256 PolarHBondContact ND2-OE1 3.34Å; D254-E256 VanDerWaalsContact CG-OE2 3.23Å; D254-E256 PolarHBondContact O-N 3.17Å; D254-E256 VanDerWaalsContact O-N 3.16Å; D254-E256 WeakPolarHBondContact OD1-CA 3.4Å; D254-E256 WeakPolarHBondContact OD1-CB 3.42Å; D254-E256 PolarHBondContact OD1-N 3.2Å; E256-Q258 PolarHBondContact O-N 3.25Å
257D62Low64.2Low64 Ų6482.9 Ų82.934%0.34243%0.425SS..G310 helixtrans-77.1-1.5175.8-66.8-30.4000112.7D254D254-D257 PolarHBondContact O-N 3.46Å; D254-D257 PolarHBondContact OD1-N 2.96Å
258Q69.3Low65.8Low58 Ų5876.1 Ų76.127%0.27140%0.396SS..THydrogen-bonded Turntrans-134149.9-171.2-63.1-72.7-12.400113.3K50 L223 V255 E256 V260K50-Q258 PolarHBondContact NZ-O 3.43Å; L223-Q258 HydrophobicContact CD1-CB 4.1Å; L223-Q258 HydrophobicContact CD1-CG 3.69Å; L223-Q258 HydrophobicContact CD2-CG 3.72Å; L223-Q258 HydrophobicContact CG-CG 4.34Å; V255-Q258 PolarHBondContact O-N 3.46Å; E256-Q258 PolarHBondContact O-N 3.25Å; Q258-V260 VanDerWaalsContact C-N 3.26Å; Q258-V260 HydrophobicContact CB-CG2 4.08Å; Q258-V260 PolarHBondContact O-N 2.94Å
259D56.1Low67.4Low150 Ų15072.6 Ų72.680%0.80237%0.366SS*.THydrogen-bonded Turntrans-76.470.6176.8-71.5-28.1000112.2
260V59.4Low68.6Low21 Ų2164.7 Ų64.713%0.12734%0.336CS..  trans-107.1123.2173.9-177.60000108.9L219 I220 V255 Q258L219-V260 HydrophobicContact CD2-CG2 3.77Å; L219-V260 HydrophobicContact CG-CG2 4.15Å; I220-V260 HydrophobicContact CD1-CG1 3.55Å; I220-V260 HydrophobicContact CG1-CG1 3.66Å; I220-V260 HydrophobicContact CG1-CG2 4.03Å; V255-V260 HydrophobicContact CG1-CB 3.9Å; V255-V260 HydrophobicContact CG1-CG1 4.2Å; V255-V260 HydrophobicContact CG1-CG2 4.39Å; Q258-V260 VanDerWaalsContact C-N 3.26Å; Q258-V260 HydrophobicContact CB-CG2 4.08Å; Q258-V260 PolarHBondContact O-N 2.94Å
261S51.4Low69.1Low85 Ų8557.5 Ų57.559%0.59431%0.306SS*.  trans-80.80178.122.90000115.4N43 D216N43-S261 PolarHBondContact ND2-OXT 3.44Å; D216-S261 PolarHBondContact OD2-OG 3.07Å

Retrieved 261 of 261 residues in 571.6 ms (Link to these results)

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