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Isoform D 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 P92177-1 (canonical: P92177), Species DROME (Drosophila melanogaster, Fruit fly), Gene 14-3-3epsilon, Length 260 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
1M70.9Confident94.7Very high166 Ų16676.7 Ų76.782%0.81836%0.363SS*.  0128.20-70-173.8-6900108.4E5 N6M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CB-CB 4.2Å; M1-N6 WeakPolarHBondContact CB-OD1 3.37Å; M1-N6 WeakPolarHBondContact CE-OD1 3.3Å
2T92.4Very high95Very high77 Ų7775.2 Ų75.247%0.47235%0.353SS..  trans-66165.917265.70000110.5R4 E5 N6T2-R4 PolarHBondContact O-N 2.78Å; T2-E5 PolarHBondContact N-OE2 3.3Å; T2-E5 PolarHBondContact O-N 2.59Å; T2-E5 VanDerWaalsContact OG1-CG 3.28Å; T2-E5 WeakPolarHBondContact OG1-CG 3.28Å; T2-E5 PolarHBondContact OG1-N 2.79Å; T2-N6 VanDerWaalsContact O-CG 3.29Å; T2-N6 PolarHBondContact O-N 2.81Å; T2-N6 PolarHBondContact O-ND2 3.25Å
3E94.8Very high95.3Very high133 Ų13375.5 Ų75.562%0.62136%0.358SS*.Hα-helixtrans-59.2-37.6174.7-173.7175.7-17200112.1N6 N7 M33E3-N6 PolarHBondContact O-N 3.25Å; E3-N7 PolarHBondContact O-N 3.2Å; E3-N7 PolarHBondContact O-ND2 3.45Å; E3-M33 HydrophobicContact CB-CE 3.95Å; E3-M33 HydrophobicContact CG-CE 3.69Å
4R97.7Very high95.5Very high39 Ų3970.4 Ų70.415%0.14734%0.335CS..Hα-helixtrans-61-53.2175.6-169.4168.2176.8132.8-18.5111.4T2 N6 N7 V8 V30 M33 V35 E36 E41T2-R4 PolarHBondContact O-N 2.78Å; R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 3.15Å; R4-N7 PolarHBondContact O-N 2.87Å; R4-N7 VanDerWaalsContact O-N 3.1Å; R4-V8 WeakPolarHBondContact O-CG2 3.43Å; R4-V8 PolarHBondContact O-N 3.24Å; R4-V30 HydrophobicContact CG-CG1 4.01Å; R4-V30 HydrophobicContact CG-CG2 4.46Å; R4-M33 HydrophobicContact CB-CE 4.25Å; R4-M33 HydrophobicContact CB-SD 3.64Å; R4-M33 HydrophobicContact CG-SD 3.99Å; R4-V35 PolarHBondContact NH1-O 2.84Å; R4-E36 PolarHBondContact NH2-O 2.9Å; R4-E41 IonicContact CZ-OE1 2.82Å; R4-E41 IonicContact CZ-OE2 3.75Å; R4-E41 IonicContact NE-OE1 3.02Å; R4-E41 PolarHBondContact NE-OE1 3.31Å; R4-E41 IonicContact NE-OE2 2.84Å; R4-E41 VanDerWaalsContact NH2-CD 3.32Å; R4-E41 IonicContact NH2-OE1 2.83Å; R4-E41 PolarHBondContact NH2-OE1 3.48Å; R4-E41 IonicContact NH2-OE2 2.71Å; R4-E41 PolarHBondContact NH2-OE2 2.96Å
5E97.4Very high95.6Very high102 Ų10270.5 Ų70.548%0.47734%0.335SS..Hα-helixtrans-57.3-40.2177.8-71.6165.8178.100112M1 T2 Y9M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CB-CB 4.2Å; T2-E5 PolarHBondContact N-OE2 3.3Å; T2-E5 PolarHBondContact O-N 2.59Å; T2-E5 VanDerWaalsContact OG1-CG 3.28Å; T2-E5 WeakPolarHBondContact OG1-CG 3.28Å; T2-E5 PolarHBondContact OG1-N 2.79Å; E5-Y9 VanDerWaalsContact O-CB 3.3Å; E5-Y9 WeakPolarHBondContact O-CB 3.4Å; E5-Y9 PolarHBondContact O-N 3.02Å
6N97.6Very high95.6Very high57 Ų5776.1 Ų76.131%0.30536%0.361SS..Hα-helixtrans-63.8-42176.7-73.3-29.6000112.4M1 T2 E3 R4 K10M1-N6 WeakPolarHBondContact CB-OD1 3.37Å; M1-N6 WeakPolarHBondContact CE-OD1 3.3Å; T2-N6 VanDerWaalsContact O-CG 3.29Å; T2-N6 PolarHBondContact O-N 2.81Å; T2-N6 PolarHBondContact O-ND2 3.25Å; E3-N6 PolarHBondContact O-N 3.25Å; R4-N6 VanDerWaalsContact C-N 3.27Å; R4-N6 PolarHBondContact O-N 3.15Å; N6-K10 WeakPolarHBondContact O-CB 3.15Å; N6-K10 VanDerWaalsContact O-CG 3.26Å; N6-K10 WeakPolarHBondContact O-CG 3.24Å; N6-K10 PolarHBondContact O-N 3.49Å
7N98.3Very high95.8Very high7 Ų775.1 Ų75.14%0.03737%0.368CS..Hα-helixtrans-71.7-40.4178.9-74.7-54000111.6E3 R4 Y9 K10 A11 K29 V30E3-N7 PolarHBondContact O-N 3.2Å; E3-N7 PolarHBondContact O-ND2 3.45Å; R4-N7 PolarHBondContact O-N 2.87Å; R4-N7 VanDerWaalsContact O-N 3.1Å; N7-Y9 PolarHBondContact O-N 3.48Å; N7-K10 PolarHBondContact O-N 3.32Å; N7-A11 PolarHBondContact O-N 3.04Å; N7-K29 WeakPolarHBondContact OD1-CD 3.11Å; N7-V30 HydrophobicContact CB-CG2 3.55Å
8V98.4Very high95.8Very high13 Ų1379.1 Ų79.18%0.07939%0.386CS..Hα-helixtrans-61.1-44.9174.1173.50000111R4 K10 A11 K12 V30 E41 L44R4-V8 WeakPolarHBondContact O-CG2 3.43Å; R4-V8 PolarHBondContact O-N 3.24Å; V8-K10 PolarHBondContact O-N 3.29Å; V8-A11 WeakPolarHBondContact O-CB 3Å; V8-A11 PolarHBondContact O-N 3.22Å; V8-K12 WeakPolarHBondContact O-CG 3.5Å; V8-K12 PolarHBondContact O-N 2.9Å; V8-V30 HydrophobicContact CG2-CG1 4.39Å; V8-V30 HydrophobicContact CG2-CG2 3.89Å; V8-E41 HydrophobicContact CG1-CG 4.48Å; V8-E41 HydrophobicContact CG2-CG 3.74Å; V8-E41 WeakPolarHBondContact CG2-OE1 3.42Å; V8-L44 HydrophobicContact CG1-CD1 3.99Å
9Y98.2Very high95.9Very high130 Ų13081.8 Ų81.851%0.5139%0.392SS..Hα-helixtrans-63.4-40.3176.7-175.5-112.5000112.4E5 N7 K12 L13E5-Y9 VanDerWaalsContact O-CB 3.3Å; E5-Y9 WeakPolarHBondContact O-CB 3.4Å; E5-Y9 PolarHBondContact O-N 3.02Å; N7-Y9 PolarHBondContact O-N 3.48Å; Y9-K12 PolarHBondContact O-N 3.48Å; Y9-L13 HydrophobicContact CD1-CD1 3.99Å; Y9-L13 HydrophobicContact CD1-CG 4.46Å; Y9-L13 HydrophobicContact CE1-CD1 3.54Å; Y9-L13 HydrophobicContact CE1-CG 4.11Å; Y9-L13 WeakPolarHBondContact O-CG 3.44Å; Y9-L13 PolarHBondContact O-N 2.93Å
10K98.1Very high96Very high120 Ų12080.4 Ų80.452%0.52238%0.383SS..Hα-helixtrans-61.3-41.9172.8-76.8173.7-177.7179.70112.3N6 N7 V8 K12 L13 A14 A26N6-K10 WeakPolarHBondContact O-CB 3.15Å; N6-K10 VanDerWaalsContact O-CG 3.26Å; N6-K10 WeakPolarHBondContact O-CG 3.24Å; N6-K10 PolarHBondContact O-N 3.49Å; N7-K10 PolarHBondContact O-N 3.32Å; V8-K10 PolarHBondContact O-N 3.29Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K10-K12 PolarHBondContact O-N 2.92Å; K10-L13 PolarHBondContact O-N 3.35Å; K10-A14 WeakPolarHBondContact O-CB 3.45Å; K10-A14 PolarHBondContact O-N 3.27Å; K10-A26 HydrophobicContact CB-CB 4.3Å
11A98.4Very high96.1Very high0 Ų081.1 Ų81.10%039%0.389CS..Hα-helixtrans-60.6-43.5176.400000111.5N7 V8 L13 A14 E15 M23 A26 M27N7-A11 PolarHBondContact O-N 3.04Å; V8-A11 WeakPolarHBondContact O-CB 3Å; V8-A11 PolarHBondContact O-N 3.22Å; A11-L13 PolarHBondContact O-N 2.74Å; A11-A14 PolarHBondContact O-N 3.02Å; A11-E15 WeakPolarHBondContact O-CB 3.46Å; A11-E15 PolarHBondContact O-N 3.1Å; A11-M23 HydrophobicContact CB-CG 3.93Å; A11-A26 HydrophobicContact CB-CB 4.16Å; A11-M27 HydrophobicContact CB-CG 3.78Å; A11-M27 HydrophobicContact CB-SD 3.55Å; A11-M27 VanDerWaalsContact CB-SD 3.55Å
12K98.2Very high97.4Very high58 Ų5877.3 Ų77.325%0.25237%0.369SS..Hα-helixtrans-63.1-39.6175.4-66.9-179.8-173.1-172.60113.1V8 Y9 K10 Q16 E40 L44V8-K12 WeakPolarHBondContact O-CG 3.5Å; V8-K12 PolarHBondContact O-N 2.9Å; Y9-K12 PolarHBondContact O-N 3.48Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K10-K12 PolarHBondContact O-N 2.92Å; K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.4Å; K12-E40 VanDerWaalsContact CE-CD 3.46Å; K12-E40 WeakPolarHBondContact CE-OE1 3.44Å; K12-E40 IonicContact NZ-OE1 3.55Å; K12-E40 PolarHBondContact NZ-OE1 3.41Å; K12-E40 IonicContact NZ-OE2 2.59Å; K12-E40 PolarHBondContact NZ-OE2 3.46Å; K12-L44 HydrophobicContact CG-CD1 3.99Å; K12-L44 HydrophobicContact CG-CD2 4.13Å
13L98.2Very high97.6Very high79 Ų7973.6 Ų73.641%0.41435%0.346SS..Hα-helixtrans-66.8-40.2174.3-70.1177.7000111.8Y9 K10 A11 A17Y9-L13 HydrophobicContact CD1-CD1 3.99Å; Y9-L13 HydrophobicContact CD1-CG 4.46Å; Y9-L13 HydrophobicContact CE1-CD1 3.54Å; Y9-L13 HydrophobicContact CE1-CG 4.11Å; Y9-L13 WeakPolarHBondContact O-CG 3.44Å; Y9-L13 PolarHBondContact O-N 2.93Å; K10-L13 PolarHBondContact O-N 3.35Å; A11-L13 PolarHBondContact O-N 2.74Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.99Å
14A98.2Very high97.8Very high5 Ų567.8 Ų67.84%0.04132%0.32CS..Hα-helixtrans-66.4-40.3177.600000111.6K10 A11 A17 E18 R19 E22 M23K10-A14 WeakPolarHBondContact O-CB 3.45Å; K10-A14 PolarHBondContact O-N 3.27Å; A11-A14 PolarHBondContact O-N 3.02Å; A14-A17 CarbonylContact O-C 3.51Å; A14-A17 PolarHBondContact O-N 3.35Å; A14-A17 VanDerWaalsContact O-N 3.15Å; A14-E18 PolarHBondContact O-N 2.99Å; A14-R19 HydrophobicContact CB-CB 4.29Å; A14-R19 PolarHBondContact O-N 3.27Å; A14-E22 HydrophobicContact CB-CB 4.16Å; A14-M23 HydrophobicContact CB-CB 4.12Å
15E97Very high97.8Very high72 Ų7270.4 Ų70.434%0.33633%0.334SS..Hα-helixtrans-57.5-50.7174-179.2-178.8-146.500111.6A11 A17 E18 M23 L44A11-E15 WeakPolarHBondContact O-CB 3.46Å; A11-E15 PolarHBondContact O-N 3.1Å; E15-A17 PolarHBondContact O-N 3.06Å; E15-A17 VanDerWaalsContact O-N 3.14Å; E15-E18 PolarHBondContact O-N 3.3Å; E15-M23 HydrophobicContact CB-CE 3.98Å; E15-M23 HydrophobicContact CB-SD 4.07Å; E15-M23 HydrophobicContact CG-CE 4.23Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.49Å
16Q96.7Very high97.9Very high159 Ų15965.8 Ų65.874%0.74331%0.313SS*.Hα-helixtrans-62.5-21.2177.3-71176.940.900113.7K12K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.4Å
17A97.5Very high97.9Very high59 Ų5963.1 Ų63.149%0.48830%0.299SS..THydrogen-bonded Turntrans-1026.9177.200000113L13 A14 E15 R19L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.99Å; A14-A17 CarbonylContact O-C 3.51Å; A14-A17 PolarHBondContact O-N 3.35Å; A14-A17 VanDerWaalsContact O-N 3.15Å; E15-A17 PolarHBondContact O-N 3.06Å; E15-A17 VanDerWaalsContact O-N 3.14Å; A17-R19 HydrophobicContact CB-CG 3.91Å; A17-R19 VanDerWaalsContact O-CG 3.31Å; A17-R19 WeakPolarHBondContact O-CG 3.48Å; A17-R19 PolarHBondContact O-N 3.21Å; A17-R19 VanDerWaalsContact O-N 3.16Å
18E96.4Very high97.9Very high147 Ų14764.9 Ų64.969%0.68731%0.306SS*.THydrogen-bonded Turntrans54.430-177-57-179.5158.700113.5A14 E15 Y20A14-E18 PolarHBondContact O-N 2.99Å; E15-E18 PolarHBondContact O-N 3.3Å; E18-Y20 HydrophobicContact CB-CE2 3.99Å; E18-Y20 WeakPolarHBondContact O-CD2 3.38Å; E18-Y20 PolarHBondContact O-N 3.3Å
19R97.9Very high97.9Very high132 Ų13268.8 Ų68.850%0.49832%0.322SS..  trans-95.663.4-179.7-55.8-167.675.3-149.3-8.1110.9A14 A17 D21 E22 M23A14-R19 HydrophobicContact CB-CB 4.29Å; A14-R19 PolarHBondContact O-N 3.27Å; A17-R19 HydrophobicContact CB-CG 3.91Å; A17-R19 VanDerWaalsContact O-CG 3.31Å; A17-R19 WeakPolarHBondContact O-CG 3.48Å; A17-R19 PolarHBondContact O-N 3.21Å; A17-R19 VanDerWaalsContact O-N 3.16Å; R19-D21 VanDerWaalsContact C-N 3.29Å; R19-D21 PolarHBondContact O-N 3.37Å; R19-E22 HydrophobicContact CB-CB 4.43Å; R19-E22 HydrophobicContact CB-CG 4.44Å; R19-E22 IonicContact CZ-OE1 2.79Å; R19-E22 IonicContact CZ-OE2 3.33Å; R19-E22 VanDerWaalsContact CZ-OE2 3.32Å; R19-E22 IonicContact NE-OE1 3.35Å; R19-E22 IonicContact NE-OE2 3.48Å; R19-E22 IonicContact NH1-OE1 3.42Å; R19-E22 PolarHBondContact NH1-OE1 3.17Å; R19-E22 IonicContact NH1-OE2 2.86Å; R19-E22 PolarHBondContact NH1-OE2 3.3Å; R19-E22 VanDerWaalsContact NH2-CD 3.34Å; R19-E22 IonicContact NH2-OE1 3.89Å; R19-E22 PolarHBondContact NH2-OE1 3.34Å; R19-E22 IonicContact NH2-OE2 3.69Å; R19-E22 PolarHBondContact O-N 2.98Å; R19-M23 PolarHBondContact O-N 3.07Å; R19-M23 VanDerWaalsContact O-N 3.16Å
20Y97.8Very high97.9Very high53 Ų5362.6 Ų62.621%0.20830%0.298CS..Hα-helixtrans-62.3-29.6-171.1-55.5-70000114.7E18 E22 M23 V24 V47 N51E18-Y20 HydrophobicContact CB-CE2 3.99Å; E18-Y20 WeakPolarHBondContact O-CD2 3.38Å; E18-Y20 PolarHBondContact O-N 3.3Å; Y20-E22 VanDerWaalsContact C-N 3.31Å; Y20-E22 PolarHBondContact O-N 2.68Å; Y20-M23 HydrophobicContact CD1-SD 4.08Å; Y20-M23 WeakPolarHBondContact O-CB 3.48Å; Y20-M23 PolarHBondContact O-N 3Å; Y20-V24 WeakPolarHBondContact O-CG2 3.39Å; Y20-V24 PolarHBondContact O-N 3.25Å; Y20-V47 HydrophobicContact CE1-CG1 4.26Å; Y20-N51 HydrophobicContact CD1-CB 3.57Å; Y20-N51 HydrophobicContact CD2-CB 3.38Å; Y20-N51 HydrophobicContact CE1-CB 3.8Å; Y20-N51 VanDerWaalsContact CE1-CG 3.47Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.08Å; Y20-N51 HydrophobicContact CE2-CB 3.6Å; Y20-N51 HydrophobicContact CG-CB 3.35Å
21D97.6Very high97.9Very high95 Ų9557 Ų5751%0.50827%0.274SS..Hα-helixtrans-61.7-39.3173.3-62.9-58.8000111.6R19 M23 V24 E25R19-D21 VanDerWaalsContact C-N 3.29Å; R19-D21 PolarHBondContact O-N 3.37Å; D21-M23 VanDerWaalsContact C-N 3.35Å; D21-V24 PolarHBondContact O-N 3.32Å; D21-E25 WeakPolarHBondContact O-CG 3.32Å; D21-E25 PolarHBondContact O-N 3.01Å; D21-E25 VanDerWaalsContact O-N 3.15Å
22E98.1Very high97.9Very high86 Ų8659.8 Ų59.840%0.40229%0.294SS..Hα-helixtrans-72.6-32.5175.6-62.9-169.416300112A14 R19 Y20 E25 A26A14-E22 HydrophobicContact CB-CB 4.16Å; R19-E22 HydrophobicContact CB-CB 4.43Å; R19-E22 HydrophobicContact CB-CG 4.44Å; R19-E22 IonicContact CZ-OE1 2.79Å; R19-E22 IonicContact CZ-OE2 3.33Å; R19-E22 VanDerWaalsContact CZ-OE2 3.32Å; R19-E22 IonicContact NE-OE1 3.35Å; R19-E22 IonicContact NE-OE2 3.48Å; R19-E22 IonicContact NH1-OE1 3.42Å; R19-E22 PolarHBondContact NH1-OE1 3.17Å; R19-E22 IonicContact NH1-OE2 2.86Å; R19-E22 PolarHBondContact NH1-OE2 3.3Å; R19-E22 VanDerWaalsContact NH2-CD 3.34Å; R19-E22 IonicContact NH2-OE1 3.89Å; R19-E22 PolarHBondContact NH2-OE1 3.34Å; R19-E22 IonicContact NH2-OE2 3.69Å; R19-E22 PolarHBondContact O-N 2.98Å; Y20-E22 VanDerWaalsContact C-N 3.31Å; Y20-E22 PolarHBondContact O-N 2.68Å; E22-E25 PolarHBondContact O-N 3.13Å; E22-A26 WeakPolarHBondContact O-CB 3.26Å; E22-A26 PolarHBondContact O-N 2.98Å
23M98Very high97.9Very high0 Ų059.9 Ų59.90%030%0.295CS..Hα-helixtrans-63.2-44.4173.9-161.6-172.318000110.8A11 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 3.98Å; E15-M23 HydrophobicContact CB-SD 4.07Å; E15-M23 HydrophobicContact CG-CE 4.23Å; R19-M23 PolarHBondContact O-N 3.07Å; R19-M23 VanDerWaalsContact O-N 3.16Å; Y20-M23 HydrophobicContact CD1-SD 4.08Å; Y20-M23 WeakPolarHBondContact O-CB 3.48Å; Y20-M23 PolarHBondContact O-N 3Å; D21-M23 VanDerWaalsContact C-N 3.35Å; M23-A26 PolarHBondContact O-N 2.69Å; M23-M27 WeakPolarHBondContact O-CB 3.01Å; M23-M27 VanDerWaalsContact O-CG 3.31Å; M23-M27 WeakPolarHBondContact O-CG 3.41Å; M23-M27 PolarHBondContact O-N 2.86Å; M23-L44 HydrophobicContact CE-CB 3.77Å; M23-L44 HydrophobicContact CE-CD2 3.38Å; M23-L44 HydrophobicContact CE-CG 4.18Å; M23-L44 WeakPolarHBondContact CE-O 3.44Å; 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 3.58Å; M23-A48 HydrophobicContact SD-CB 3.55Å; M23-A48 VanDerWaalsContact SD-CB 3.55Å
24V98.4Very high97.8Very high10 Ų1060.3 Ų60.36%0.06130%0.298CS..Hα-helixtrans-57.2-51.4173.2165.80000110.3Y20 D21 A26 M27 K28 A48 Y49 V52Y20-V24 WeakPolarHBondContact O-CG2 3.39Å; Y20-V24 PolarHBondContact O-N 3.25Å; D21-V24 PolarHBondContact O-N 3.32Å; V24-A26 VanDerWaalsContact C-N 3.32Å; V24-A26 PolarHBondContact O-N 2.94Å; V24-M27 PolarHBondContact O-N 3.16Å; V24-K28 HydrophobicContact CG1-CD 3.54Å; V24-K28 HydrophobicContact CG1-CG 4.22Å; V24-K28 WeakPolarHBondContact O-CB 3.31Å; V24-K28 WeakPolarHBondContact O-CD 3.32Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 2.91Å; V24-A48 HydrophobicContact CG2-CB 3.72Å; V24-Y49 HydrophobicContact CB-CE2 4.48Å; V24-Y49 HydrophobicContact CG1-CD1 4.48Å; V24-Y49 HydrophobicContact CG1-CE1 3.81Å; V24-Y49 HydrophobicContact CG1-CE2 3.85Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.48Å; V24-Y49 HydrophobicContact CG2-CD1 4.07Å; V24-Y49 HydrophobicContact CG2-CD2 4.01Å; V24-Y49 HydrophobicContact CG2-CE1 4.22Å; V24-Y49 HydrophobicContact CG2-CE2 4.17Å; V24-Y49 HydrophobicContact CG2-CG 3.98Å; V24-V52 HydrophobicContact CG2-CG2 4.07Å
25E98.4Very high97.8Very high94 Ų9464.3 Ų64.344%0.43932%0.322SS..Hα-helixtrans-63.3-35.2-179-72.1-59.2120.900113.6D21 E22 K28 K29D21-E25 WeakPolarHBondContact O-CG 3.32Å; D21-E25 PolarHBondContact O-N 3.01Å; D21-E25 VanDerWaalsContact O-N 3.15Å; E22-E25 PolarHBondContact O-N 3.13Å; E25-K28 IonicContact OE1-NZ 3.32Å; E25-K28 PolarHBondContact OE1-NZ 2.84Å; E25-K29 WeakPolarHBondContact O-CG 3.39Å
26A98.4Very high97.8Very high6 Ų663.5 Ų63.55%0.0532%0.318CS..Hα-helixtrans-70-46.6174.700000111.4K10 A11 E22 M23 V24 K29 V30K10-A26 HydrophobicContact CB-CB 4.3Å; A11-A26 HydrophobicContact CB-CB 4.16Å; E22-A26 WeakPolarHBondContact O-CB 3.26Å; E22-A26 PolarHBondContact O-N 2.98Å; M23-A26 PolarHBondContact O-N 2.69Å; V24-A26 VanDerWaalsContact C-N 3.32Å; V24-A26 PolarHBondContact O-N 2.94Å; A26-K29 WeakPolarHBondContact O-CB 3.36Å; A26-K29 PolarHBondContact O-N 3.29Å; A26-V30 PolarHBondContact O-N 3.47Å
27M98.5Very high97.9Very high0 Ų056.4 Ų56.40%029%0.285CS..Hα-helixtrans-73.2-28.1-176.6-67.7-51.9-53.400113.2A11 M23 V24 K29 V30 A31 E41 L44 L45A11-M27 HydrophobicContact CB-CG 3.78Å; A11-M27 HydrophobicContact CB-SD 3.55Å; A11-M27 VanDerWaalsContact CB-SD 3.55Å; M23-M27 WeakPolarHBondContact O-CB 3.01Å; M23-M27 VanDerWaalsContact O-CG 3.31Å; M23-M27 WeakPolarHBondContact O-CG 3.41Å; M23-M27 PolarHBondContact O-N 2.86Å; V24-M27 PolarHBondContact O-N 3.16Å; M27-K29 VanDerWaalsContact C-N 3.3Å; M27-K29 PolarHBondContact O-N 2.98Å; M27-V30 HydrophobicContact CE-CB 4.1Å; M27-V30 HydrophobicContact CE-CG1 4.18Å; M27-V30 HydrophobicContact CE-CG2 4.34Å; M27-V30 WeakPolarHBondContact O-CB 3.31Å; M27-V30 PolarHBondContact O-N 3.14Å; M27-V30 HydrophobicContact SD-CG2 4.32Å; M27-A31 WeakPolarHBondContact O-CB 3.43Å; M27-A31 PolarHBondContact O-N 3.23Å; M27-E41 HydrophobicContact CE-CB 4Å; M27-E41 WeakPolarHBondContact CE-O 3.42Å; M27-L44 HydrophobicContact CE-CB 4.21Å; M27-L44 HydrophobicContact CG-CB 4.24Å; M27-L44 HydrophobicContact SD-CB 3.95Å; M27-L44 HydrophobicContact SD-CD1 4.34Å; M27-L45 HydrophobicContact CB-CB 4.16Å; M27-L45 HydrophobicContact CB-CD1 3.56Å; M27-L45 HydrophobicContact CB-CG 4.49Å; M27-L45 HydrophobicContact CE-CB 4.3Å
28K98.3Very high97.9Very high44 Ų4457.2 Ų57.219%0.19128%0.284CS..Hα-helixtrans-59.6-40.7168.9-76.216673.9172.20112.2V24 E25 V30 A31 S32 Y49 D99 V103V24-K28 HydrophobicContact CG1-CD 3.54Å; V24-K28 HydrophobicContact CG1-CG 4.22Å; V24-K28 WeakPolarHBondContact O-CB 3.31Å; V24-K28 WeakPolarHBondContact O-CD 3.32Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 2.91Å; E25-K28 IonicContact OE1-NZ 3.32Å; E25-K28 PolarHBondContact OE1-NZ 2.84Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 3.37Å; K28-A31 PolarHBondContact O-N 3.02Å; K28-S32 WeakPolarHBondContact O-CB 3.12Å; K28-S32 PolarHBondContact O-N 3.4Å; K28-S32 PolarHBondContact O-OG 2.99Å; K28-Y49 VanDerWaalsContact CD-OH 3.3Å; K28-Y49 WeakPolarHBondContact CD-OH 3.35Å; K28-Y49 HydrophobicContact CG-CE2 4.44Å; K28-Y49 WeakPolarHBondContact CG-OH 3.4Å; K28-D99 WeakPolarHBondContact CD-OD2 3.38Å; K28-D99 WeakPolarHBondContact CE-OD1 3.43Å; K28-D99 WeakPolarHBondContact CE-OD2 3.44Å; K28-D99 IonicContact NZ-OD1 2.89Å; K28-D99 PolarHBondContact NZ-OD1 3.35Å; K28-D99 IonicContact NZ-OD2 3.99Å; K28-D99 PolarHBondContact NZ-OD2 3.42Å; K28-V103 HydrophobicContact CG-CG2 4.07Å
29K98.3Very high97.8Very high96 Ų9654.1 Ų54.142%0.41728%0.275SS..Hα-helixtrans-65.2-36.8176.2-67.4170.1-174.2171.70111.8N7 E25 A26 M27 S32 M33N7-K29 WeakPolarHBondContact OD1-CD 3.11Å; E25-K29 WeakPolarHBondContact O-CG 3.39Å; A26-K29 WeakPolarHBondContact O-CB 3.36Å; A26-K29 PolarHBondContact O-N 3.29Å; M27-K29 VanDerWaalsContact C-N 3.3Å; M27-K29 PolarHBondContact O-N 2.98Å; K29-S32 WeakPolarHBondContact CA-OG 3.31Å; K29-S32 PolarHBondContact O-OG 2.69Å; K29-M33 WeakPolarHBondContact O-CG 3.33Å
30V98.4Very high97.7Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-66.7-46174.5177.60000110.5R4 N7 V8 A26 M27 K28 S32 M33 L37R4-V30 HydrophobicContact CG-CG1 4.01Å; R4-V30 HydrophobicContact CG-CG2 4.46Å; N7-V30 HydrophobicContact CB-CG2 3.55Å; V8-V30 HydrophobicContact CG2-CG1 4.39Å; V8-V30 HydrophobicContact CG2-CG2 3.89Å; A26-V30 PolarHBondContact O-N 3.47Å; M27-V30 HydrophobicContact CE-CB 4.1Å; M27-V30 HydrophobicContact CE-CG1 4.18Å; M27-V30 HydrophobicContact CE-CG2 4.34Å; M27-V30 WeakPolarHBondContact O-CB 3.31Å; M27-V30 PolarHBondContact O-N 3.14Å; M27-V30 HydrophobicContact SD-CG2 4.32Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 3.37Å; V30-S32 PolarHBondContact O-N 2.9Å; V30-M33 WeakPolarHBondContact O-CB 3.48Å; V30-M33 PolarHBondContact O-N 3.16Å; V30-L37 HydrophobicContact CG1-CD2 3.65Å
31A98.2Very high97.7Very high2 Ų251.1 Ų51.12%0.01727%0.269CS..Hα-helixtrans-60.7-43177.300000112M27 K28 M33 D34 V103 H107 L108M27-A31 WeakPolarHBondContact O-CB 3.43Å; M27-A31 PolarHBondContact O-N 3.23Å; K28-A31 PolarHBondContact O-N 3.02Å; A31-M33 PolarHBondContact O-N 3.16Å; A31-D34 PolarHBondContact O-N 2.83Å; A31-V103 HydrophobicContact CB-CG1 3.64Å; A31-H107 WeakPolarHBondContact O-CB 3.4Å; A31-L108 HydrophobicContact CB-CD2 3.69Å; A31-L108 HydrophobicContact CB-CG 4.29Å
32S97.6Very high97.7Very high59 Ų5947 Ų4741%0.41325%0.246SC..THydrogen-bonded Turntrans-68.9-0.4-179.664.70000115.1K28 K29 V30K28-S32 WeakPolarHBondContact O-CB 3.12Å; K28-S32 PolarHBondContact O-N 3.4Å; K28-S32 PolarHBondContact O-OG 2.99Å; K29-S32 WeakPolarHBondContact CA-OG 3.31Å; K29-S32 PolarHBondContact O-OG 2.69Å; V30-S32 PolarHBondContact O-N 2.9Å
33M97.8Very high97.6Very high59 Ų5944.6 Ų44.629%0.29124%0.236SC..THydrogen-bonded Turntrans-81.1-2.5172.4-66.3174.6-178.200112.7E3 R4 K29 V30 A31 V35E3-M33 HydrophobicContact CB-CE 3.95Å; E3-M33 HydrophobicContact CG-CE 3.69Å; R4-M33 HydrophobicContact CB-CE 4.25Å; R4-M33 HydrophobicContact CB-SD 3.64Å; R4-M33 HydrophobicContact CG-SD 3.99Å; K29-M33 WeakPolarHBondContact O-CG 3.33Å; V30-M33 WeakPolarHBondContact O-CB 3.48Å; V30-M33 PolarHBondContact O-N 3.16Å; A31-M33 PolarHBondContact O-N 3.16Å; M33-V35 PolarHBondContact O-N 3Å; M33-V35 VanDerWaalsContact O-N 3.12Å
34D97.4Very high97.6Very high89 Ų8945 Ų4548%0.47624%0.238SC..  trans54.232.8177.4-61-42.5000113.5A31 H107 C111A31-D34 PolarHBondContact O-N 2.83Å; D34-H107 IonicContact OD1-CE1 2.85Å; D34-H107 IonicContact OD1-CG 3.65Å; D34-H107 IonicContact OD1-ND1 3.79Å; D34-H107 PolarHBondContact OD1-ND1 3.43Å; D34-H107 IonicContact OD2-ND1 2.89Å; D34-C111 PolarHBondContact O-SG 2.93Å
35V96.6Very high97.6Very high88 Ų8844.5 Ų44.553%0.53324%0.235SC..SBendtrans-120.3128.9174.7172.20000107.9R4 M33 L37R4-V35 PolarHBondContact NH1-O 2.84Å; M33-V35 PolarHBondContact O-N 3Å; M33-V35 VanDerWaalsContact O-N 3.12Å; V35-L37 PolarHBondContact O-N 3.25Å
36E97.5Very high97.5Very high56 Ų5641.6 Ų41.626%0.26223%0.225SC..  trans-45.5132.6-179-171.8164-155.600111.5R4 T113 S117R4-E36 PolarHBondContact NH2-O 2.9Å; E36-T113 PolarHBondContact OE1-N 3.43Å; E36-T113 PolarHBondContact OE1-OG1 2.75Å; E36-T113 WeakPolarHBondContact OE2-CB 3.47Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.44Å; E36-T113 PolarHBondContact OE2-OG1 3.09Å; E36-S117 PolarHBondContact OE1-OG 3.13Å
37L98.1Very high97.4Very high9 Ų943.4 Ų43.45%0.04724%0.236CC..  trans-74138.7177.8-58-171.1000109.7V30 V35 E41 R42 L45 L108V30-L37 HydrophobicContact CG1-CD2 3.65Å; V35-L37 PolarHBondContact O-N 3.25Å; L37-E41 HydrophobicContact CB-CB 3.99Å; L37-E41 HydrophobicContact CD2-CB 4.25Å; L37-E41 HydrophobicContact CG-CB 4.5Å; L37-R42 HydrophobicContact CB-CB 4.21Å; L37-L45 HydrophobicContact CD1-CD2 4.17Å; L37-L108 HydrophobicContact CD1-CD2 3.68Å; L37-L108 HydrophobicContact CD2-CD2 4.49Å; L37-L108 HydrophobicContact CG-CD2 3.86Å
38T97.5Very high97.3Very high77 Ų7743.4 Ų43.447%0.47224%0.236SC..  trans-64.616316360.70000110.1E40 E41 R42T38-E40 PolarHBondContact O-N 2.95Å; T38-E41 WeakPolarHBondContact CB-OE2 3.49Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.24Å; T38-E41 PolarHBondContact N-OE2 2.66Å; T38-E41 PolarHBondContact O-N 3.03Å; T38-E41 VanDerWaalsContact O-N 3.16Å; T38-E41 WeakPolarHBondContact OG1-CB 3.44Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.24Å; T38-E41 WeakPolarHBondContact OG1-CG 3.46Å; T38-E41 PolarHBondContact OG1-N 3.48Å; T38-E41 PolarHBondContact OG1-OE2 2.85Å; T38-R42 WeakPolarHBondContact O-CB 3.39Å; T38-R42 PolarHBondContact O-N 3.27Å
39V95.1Very high97.3Very high82 Ų8241.4 Ų41.450%0.49723%0.227SC..Hα-helixtrans-53.3-43.9175.2171.50000111.3R42 N43V39-R42 PolarHBondContact O-N 2.71Å; V39-N43 WeakPolarHBondContact O-CB 3.23Å; V39-N43 VanDerWaalsContact O-CG 3.24Å; V39-N43 PolarHBondContact O-N 3.2Å; V39-N43 PolarHBondContact O-OD1 3.32Å
40E96.1Very high97.2Very high105 Ų10538.6 Ų38.649%0.49121%0.214SC..Hα-helixtrans-62.4-47.2177.9-174.4178.7-140.100111.8K12 T38 N43 L44K12-E40 VanDerWaalsContact CE-CD 3.46Å; K12-E40 WeakPolarHBondContact CE-OE1 3.44Å; K12-E40 IonicContact NZ-OE1 3.55Å; K12-E40 PolarHBondContact NZ-OE1 3.41Å; K12-E40 IonicContact NZ-OE2 2.59Å; K12-E40 PolarHBondContact NZ-OE2 3.46Å; T38-E40 PolarHBondContact O-N 2.95Å; E40-N43 PolarHBondContact O-N 3.18Å; E40-L44 HydrophobicContact CG-CD1 4.34Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 2.94Å
41E97.9Very high97.1Very high16 Ų1641.2 Ų41.28%0.07523%0.229CC..Hα-helixtrans-65.9-40.8179.7-70.7164.4143.400112.3R4 V8 M27 L37 T38 N43 L44 L45R4-E41 IonicContact CZ-OE1 2.82Å; R4-E41 IonicContact CZ-OE2 3.75Å; R4-E41 IonicContact NE-OE1 3.02Å; R4-E41 PolarHBondContact NE-OE1 3.31Å; R4-E41 IonicContact NE-OE2 2.84Å; R4-E41 VanDerWaalsContact NH2-CD 3.32Å; R4-E41 IonicContact NH2-OE1 2.83Å; R4-E41 PolarHBondContact NH2-OE1 3.48Å; R4-E41 IonicContact NH2-OE2 2.71Å; R4-E41 PolarHBondContact NH2-OE2 2.96Å; V8-E41 HydrophobicContact CG1-CG 4.48Å; V8-E41 HydrophobicContact CG2-CG 3.74Å; V8-E41 WeakPolarHBondContact CG2-OE1 3.42Å; M27-E41 HydrophobicContact CE-CB 4Å; M27-E41 WeakPolarHBondContact CE-O 3.42Å; L37-E41 HydrophobicContact CB-CB 3.99Å; L37-E41 HydrophobicContact CD2-CB 4.25Å; L37-E41 HydrophobicContact CG-CB 4.5Å; T38-E41 WeakPolarHBondContact CB-OE2 3.49Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.24Å; T38-E41 PolarHBondContact N-OE2 2.66Å; T38-E41 PolarHBondContact O-N 3.03Å; T38-E41 VanDerWaalsContact O-N 3.16Å; T38-E41 WeakPolarHBondContact OG1-CB 3.44Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.24Å; T38-E41 WeakPolarHBondContact OG1-CG 3.46Å; T38-E41 PolarHBondContact OG1-N 3.48Å; T38-E41 PolarHBondContact OG1-OE2 2.85Å; E41-N43 VanDerWaalsContact C-N 3.33Å; E41-L44 PolarHBondContact O-N 2.65Å; E41-L45 PolarHBondContact O-N 3.23Å
42R97.5Very high97Very high8 Ų841.6 Ų41.63%0.0323%0.231CC..Hα-helixtrans-60.6-45174.8-180-162.972.4-162.21111L37 T38 V39 L45 S46 E116 F120 Y121L37-R42 HydrophobicContact CB-CB 4.21Å; T38-R42 WeakPolarHBondContact O-CB 3.39Å; T38-R42 PolarHBondContact O-N 3.27Å; V39-R42 PolarHBondContact O-N 2.71Å; R42-L45 PolarHBondContact O-N 3.5Å; R42-S46 WeakPolarHBondContact O-CB 3.4Å; R42-S46 PolarHBondContact O-N 3.17Å; R42-E116 IonicContact CZ-OE1 3.93Å; R42-E116 IonicContact NH1-OE1 3.1Å; R42-E116 PolarHBondContact NH1-OE1 3.05Å; R42-E116 IonicContact NH2-OE1 3.46Å; R42-E116 PolarHBondContact NH2-OE1 3.44Å; R42-F120 HydrophobicContact CG-CD1 3.6Å; R42-F120 HydrophobicContact CG-CD2 4.49Å; R42-F120 HydrophobicContact CG-CE1 3.43Å; R42-F120 VanDerWaalsContact CG-CE1 3.43Å; R42-F120 HydrophobicContact CG-CE2 4.34Å; R42-F120 HydrophobicContact CG-CG 4.15Å; R42-F120 HydrophobicContact CG-CZ 3.82Å; R42-Y121 HydrophobicContact CG-CE1 3.93Å
43N95.3Very high97Very high36 Ų3638.8 Ų38.819%0.19321%0.211CC..Hα-helixtrans-66.7-40.9179.5-74.616.4000111.1V39 E40 E41 L45 S46 V47 S260V39-N43 WeakPolarHBondContact O-CB 3.23Å; V39-N43 VanDerWaalsContact O-CG 3.24Å; V39-N43 PolarHBondContact O-N 3.2Å; V39-N43 PolarHBondContact O-OD1 3.32Å; E40-N43 PolarHBondContact O-N 3.18Å; E41-N43 VanDerWaalsContact C-N 3.33Å; N43-L45 PolarHBondContact O-N 3.08Å; N43-S46 PolarHBondContact O-N 2.95Å; N43-V47 WeakPolarHBondContact O-CB 3.27Å; N43-V47 WeakPolarHBondContact O-CG2 3.3Å; N43-V47 PolarHBondContact O-N 3.29Å; N43-S260 PolarHBondContact ND2-OXT 3.32Å
44L97.9Very high96.8Very high8 Ų837.4 Ų37.44%0.04221%0.212CC..Hα-helixtrans-58.1-47.8172.4-72.8169.9000112V8 K12 E15 M23 M27 E40 E41 S46 V47 A48V8-L44 HydrophobicContact CG1-CD1 3.99Å; K12-L44 HydrophobicContact CG-CD1 3.99Å; K12-L44 HydrophobicContact CG-CD2 4.13Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.49Å; M23-L44 HydrophobicContact CE-CB 3.77Å; M23-L44 HydrophobicContact CE-CD2 3.38Å; M23-L44 HydrophobicContact CE-CG 4.18Å; M23-L44 WeakPolarHBondContact CE-O 3.44Å; M27-L44 HydrophobicContact CE-CB 4.21Å; M27-L44 HydrophobicContact CG-CB 4.24Å; M27-L44 HydrophobicContact SD-CB 3.95Å; M27-L44 HydrophobicContact SD-CD1 4.34Å; E40-L44 HydrophobicContact CG-CD1 4.34Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 2.94Å; E41-L44 PolarHBondContact O-N 2.65Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.44Å; L44-V47 PolarHBondContact O-N 2.6Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 3.18Å
45L98.1Very high96.7Very high1 Ų135.6 Ų35.61%0.00521%0.209CC..Hα-helixtrans-58.8-43.7176.7-179.878.4000111.5M27 L37 E41 R42 N43 A48 Y49 I100 L108M27-L45 HydrophobicContact CB-CB 4.16Å; M27-L45 HydrophobicContact CB-CD1 3.56Å; M27-L45 HydrophobicContact CB-CG 4.49Å; M27-L45 HydrophobicContact CE-CB 4.3Å; L37-L45 HydrophobicContact CD1-CD2 4.17Å; E41-L45 PolarHBondContact O-N 3.23Å; R42-L45 PolarHBondContact O-N 3.5Å; N43-L45 PolarHBondContact O-N 3.08Å; L45-A48 WeakPolarHBondContact O-CB 3.39Å; L45-A48 PolarHBondContact O-N 3.24Å; L45-Y49 HydrophobicContact CD1-CD2 3.85Å; L45-Y49 HydrophobicContact CD1-CE2 3.69Å; L45-Y49 HydrophobicContact CG-CD2 4.19Å; L45-Y49 HydrophobicContact CG-CE2 4.45Å; L45-Y49 PolarHBondContact O-N 3.36Å; L45-Y49 VanDerWaalsContact O-N 3.16Å; L45-I100 HydrophobicContact CD2-CD1 4.47Å; L45-L108 HydrophobicContact CD2-CD1 3.28Å
46S96.7Very high96.7Very high32 Ų3234.5 Ų34.522%0.22420%0.195CC..Hα-helixtrans-63.7-50179.7-174.60000111.9R42 N43 L44 A48 Y49 K50R42-S46 WeakPolarHBondContact O-CB 3.4Å; R42-S46 PolarHBondContact O-N 3.17Å; N43-S46 PolarHBondContact O-N 2.95Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.44Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.61Å; S46-Y49 PolarHBondContact O-N 3.47Å; S46-K50 WeakPolarHBondContact O-CB 3.39Å; S46-K50 PolarHBondContact O-N 2.91Å
47V96.1Very high96.7Very high45 Ų4532 Ų3227%0.27318%0.183SC..Hα-helixtrans-57-42.5176.5168.60000111.2Y20 M23 N43 L44 N51Y20-V47 HydrophobicContact CE1-CG1 4.26Å; 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-CB 3.27Å; N43-V47 WeakPolarHBondContact O-CG2 3.3Å; N43-V47 PolarHBondContact O-N 3.29Å; L44-V47 PolarHBondContact O-N 2.6Å; V47-N51 PolarHBondContact O-N 2.93Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 3.41Å
48A97.6Very high96.5Very high0 Ų033.7 Ų33.70%020%0.199CC..Hα-helixtrans-57.5-57.9178.200000111.7M23 V24 L44 L45 S46 N51 V52M23-A48 HydrophobicContact CB-CB 3.76Å; M23-A48 HydrophobicContact CE-CB 4.35Å; M23-A48 HydrophobicContact CG-CB 3.58Å; M23-A48 HydrophobicContact SD-CB 3.55Å; M23-A48 VanDerWaalsContact SD-CB 3.55Å; V24-A48 HydrophobicContact CG2-CB 3.72Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 3.18Å; L45-A48 WeakPolarHBondContact O-CB 3.39Å; L45-A48 PolarHBondContact O-N 3.24Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.61Å; A48-N51 PolarHBondContact O-N 2.92Å; A48-V52 WeakPolarHBondContact O-CG2 3.34Å; A48-V52 PolarHBondContact O-N 2.71Å
49Y98Very high96.5Very high2 Ų232.5 Ų32.51%0.00819%0.194CC..Hα-helixtrans-71.1-32.9-176.5-87-77.5000112.9V24 K28 L45 S46 V52 I53 I96 D99 I100 Y128V24-Y49 HydrophobicContact CB-CE2 4.48Å; V24-Y49 HydrophobicContact CG1-CD1 4.48Å; V24-Y49 HydrophobicContact CG1-CE1 3.81Å; V24-Y49 HydrophobicContact CG1-CE2 3.85Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.48Å; V24-Y49 HydrophobicContact CG2-CD1 4.07Å; V24-Y49 HydrophobicContact CG2-CD2 4.01Å; V24-Y49 HydrophobicContact CG2-CE1 4.22Å; V24-Y49 HydrophobicContact CG2-CE2 4.17Å; V24-Y49 HydrophobicContact CG2-CG 3.98Å; K28-Y49 VanDerWaalsContact CD-OH 3.3Å; K28-Y49 WeakPolarHBondContact CD-OH 3.35Å; K28-Y49 HydrophobicContact CG-CE2 4.44Å; K28-Y49 WeakPolarHBondContact CG-OH 3.4Å; L45-Y49 HydrophobicContact CD1-CD2 3.85Å; L45-Y49 HydrophobicContact CD1-CE2 3.69Å; L45-Y49 HydrophobicContact CG-CD2 4.19Å; L45-Y49 HydrophobicContact CG-CE2 4.45Å; L45-Y49 PolarHBondContact O-N 3.36Å; L45-Y49 VanDerWaalsContact O-N 3.16Å; S46-Y49 PolarHBondContact O-N 3.47Å; Y49-V52 PolarHBondContact O-N 3.02Å; Y49-I53 WeakPolarHBondContact O-CB 3.34Å; Y49-I53 VanDerWaalsContact O-CG2 3.24Å; Y49-I53 WeakPolarHBondContact O-CG2 3.49Å; Y49-I53 PolarHBondContact O-N 3.49Å; Y49-I96 HydrophobicContact CD1-CG2 4.18Å; Y49-D99 HydrophobicContact CE1-CB 4.44Å; Y49-D99 VanDerWaalsContact OH-CG 3.31Å; Y49-D99 PolarHBondContact OH-OD2 2.92Å; 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 4.45Å; Y49-I100 HydrophobicContact CD2-CD1 3.73Å; Y49-I100 HydrophobicContact CD2-CG1 4.33Å; Y49-I100 HydrophobicContact CE1-CB 3.64Å; Y49-I100 HydrophobicContact CE1-CG2 4.47Å; Y49-I100 HydrophobicContact CE2-CB 4.3Å; Y49-I100 HydrophobicContact CE2-CD1 3.69Å; Y49-I100 HydrophobicContact CE2-CG1 4.44Å; Y49-I100 HydrophobicContact CG-CB 4.17Å; Y49-I100 HydrophobicContact CG-CD1 4.17Å; Y49-I100 HydrophobicContact CG-CG1 4.27Å; Y49-Y128 VanDerWaalsContact C-OH 3.23Å; Y49-Y128 VanDerWaalsContact CB-OH 3.29Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.47Å; Y49-Y128 PolarHBondContact O-OH 2.99Å
50K96Very high96.6Very high36 Ų3630.1 Ų30.116%0.15718%0.176CC..Hα-helixtrans-59.3-48.2175.3175.7-178.2172.4172.20111.4S46 I53 G54 V254 E255 Q257S46-K50 WeakPolarHBondContact O-CB 3.39Å; S46-K50 PolarHBondContact O-N 2.91Å; K50-I53 WeakPolarHBondContact O-CG2 3.36Å; K50-G54 WeakPolarHBondContact O-CA 3.49Å; K50-G54 PolarHBondContact O-N 3.45Å; K50-V254 PolarHBondContact NZ-O 2.92Å; K50-E255 WeakPolarHBondContact CE-O 3.42Å; K50-E255 HydrophobicContact CG-CB 4.44Å; K50-Q257 PolarHBondContact NZ-O 3.49Å
51N95.4Very high96.6Very high56 Ų5628.8 Ų28.830%0.29917%0.166SC..Hα-helixtrans-68.5-42.1-179.8-81.3-79.2000112.2Y20 V47 A48 A55Y20-N51 HydrophobicContact CD1-CB 3.57Å; Y20-N51 HydrophobicContact CD2-CB 3.38Å; Y20-N51 HydrophobicContact CE1-CB 3.8Å; Y20-N51 VanDerWaalsContact CE1-CG 3.47Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.08Å; Y20-N51 HydrophobicContact CE2-CB 3.6Å; Y20-N51 HydrophobicContact CG-CB 3.35Å; V47-N51 PolarHBondContact O-N 2.93Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 3.41Å; A48-N51 PolarHBondContact O-N 2.92Å; N51-A55 PolarHBondContact O-N 3.23Å
52V96.6Very high96.5Very high9 Ų933 Ų336%0.05519%0.188CC..Hα-helixtrans-62.5-48.9177.7175.70000111V24 A48 Y49 R56 I96V24-V52 HydrophobicContact CG2-CG2 4.07Å; A48-V52 WeakPolarHBondContact O-CG2 3.34Å; A48-V52 PolarHBondContact O-N 2.71Å; Y49-V52 PolarHBondContact O-N 3.02Å; V52-R56 WeakPolarHBondContact O-CD 3.47Å; V52-I96 HydrophobicContact CG1-CD1 3.68Å; V52-I96 HydrophobicContact CG1-CG1 3.91Å; V52-I96 HydrophobicContact CG1-CG2 4.25Å
53I97Very high96.5Very high1 Ų133.3 Ų33.31%0.00519%0.19CC..Hα-helixtrans-70.9-39.2-179.2-160.975.2000112Y49 K50 A55 R56 R57 L93 I96 Y128 Y131Y49-I53 WeakPolarHBondContact O-CB 3.34Å; Y49-I53 VanDerWaalsContact O-CG2 3.24Å; Y49-I53 WeakPolarHBondContact O-CG2 3.49Å; Y49-I53 PolarHBondContact O-N 3.49Å; K50-I53 WeakPolarHBondContact O-CG2 3.36Å; I53-A55 PolarHBondContact O-N 2.59Å; I53-R56 PolarHBondContact O-N 3.43Å; I53-R56 VanDerWaalsContact O-N 3.15Å; I53-R57 HydrophobicContact CG1-CG 4.28Å; I53-R57 WeakPolarHBondContact O-CG 3.38Å; I53-R57 PolarHBondContact O-N 3.34Å; I53-L93 HydrophobicContact CD1-CD2 3.55Å; 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 3.54Å; I53-I96 HydrophobicContact CG1-CG2 4.38Å; I53-Y128 HydrophobicContact CB-CE1 3.92Å; I53-Y128 HydrophobicContact CD1-CE1 4.15Å; I53-Y128 HydrophobicContact CG1-CD1 4.49Å; I53-Y128 HydrophobicContact CG1-CE1 3.88Å; I53-Y128 HydrophobicContact CG2-CE1 3.96Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.3Å; I53-Y131 HydrophobicContact CD1-CD2 4.44Å; I53-Y131 HydrophobicContact CG1-CD2 3.81Å; I53-Y131 HydrophobicContact CG1-CE2 3.96Å; I53-Y131 HydrophobicContact CG2-CE2 3.97Å
54G95.2Very high96.5Very high29 Ų2932.8 Ų32.830%0.29919%0.189SC..Hα-helixtrans-59-45.6-179.400000112.1K50 R56 R57 A58K50-G54 WeakPolarHBondContact O-CA 3.49Å; K50-G54 PolarHBondContact O-N 3.45Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.01Å; G54-R57 PolarHBondContact O-N 3.12Å; G54-A58 WeakPolarHBondContact O-CB 3.44Å; G54-A58 PolarHBondContact O-N 3.34Å
55A94.9Very high96.4Very high51 Ų5134.7 Ų34.742%0.42120%0.202SC..Hα-helixtrans-60.6-40176.100000112.8N51 I53 S59N51-A55 PolarHBondContact O-N 3.23Å; I53-A55 PolarHBondContact O-N 2.59Å; A55-S59 WeakPolarHBondContact O-CB 3.37Å; A55-S59 PolarHBondContact O-N 3.43Å; A55-S59 VanDerWaalsContact O-N 3.11Å; A55-S59 PolarHBondContact O-OG 3.32Å
56R97.3Very high96.2Very high66 Ų6638.5 Ų38.525%0.24922%0.222CC..Hα-helixtrans-72.6-39.4177.5-88.260171.2-158.7-6.3111.9V52 I53 G54 S59 W60 E92 L93 I96V52-R56 WeakPolarHBondContact O-CD 3.47Å; I53-R56 PolarHBondContact O-N 3.43Å; I53-R56 VanDerWaalsContact O-N 3.15Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.01Å; R56-S59 WeakPolarHBondContact O-CB 3.31Å; R56-S59 PolarHBondContact O-N 2.98Å; R56-W60 WeakPolarHBondContact O-CB 3.46Å; R56-W60 PolarHBondContact O-N 3.28Å; R56-E92 HydrophobicContact CG-CB 4.14Å; R56-E92 IonicContact NE-OE2 2.66Å; R56-E92 PolarHBondContact NE-OE2 2.89Å; R56-E92 VanDerWaalsContact NE-OE2 3.12Å; R56-L93 HydrophobicContact CB-CD2 3.53Å; R56-L93 HydrophobicContact CB-CG 3.94Å; R56-I96 HydrophobicContact CB-CD1 4.23Å; R56-I96 HydrophobicContact CG-CD1 3.86Å
57R96.4Very high96Very high2 Ų237.9 Ų37.91%0.00822%0.216CC..Hα-helixtrans-62.6-44.7175.2-76.1178.471.3-146.215.9111.4I53 G54 S59 W60 R61 L93 E134 D253 E255I53-R57 HydrophobicContact CG1-CG 4.28Å; I53-R57 WeakPolarHBondContact O-CG 3.38Å; I53-R57 PolarHBondContact O-N 3.34Å; G54-R57 PolarHBondContact O-N 3.12Å; R57-S59 VanDerWaalsContact C-N 3.34Å; R57-S59 PolarHBondContact O-N 3.11Å; R57-W60 PolarHBondContact O-N 2.87Å; R57-R61 VanDerWaalsContact CZ-NH2 3.29Å; R57-R61 WeakPolarHBondContact O-CG 3.48Å; R57-R61 PolarHBondContact O-N 2.98Å; R57-L93 HydrophobicContact CG-CD2 3.74Å; R57-E134 IonicContact CZ-OE1 2.88Å; R57-E134 IonicContact CZ-OE2 3.87Å; R57-E134 IonicContact NE-OE1 3.57Å; R57-E134 PolarHBondContact NE-OE1 2.91Å; R57-E134 IonicContact NE-OE2 3.76Å; R57-E134 PolarHBondContact NE-OE2 2.82Å; R57-E134 IonicContact NH2-OE1 3.74Å; R57-E134 PolarHBondContact NH2-OE1 2.87Å; R57-E134 IonicContact NH2-OE2 3.99Å; R57-D253 IonicContact NH1-OD2 2.73Å; R57-D253 IonicContact NH2-OD2 3.24Å; R57-D253 PolarHBondContact NH2-OD2 3.25Å; R57-E255 IonicContact CZ-OE2 2.71Å; R57-E255 IonicContact NH1-OE2 3.88Å; R57-E255 PolarHBondContact NH1-OE2 2.86Å; R57-E255 VanDerWaalsContact NH1-OE2 3.1Å
58A95.2Very high95.8Very high45 Ų4541.3 Ų41.337%0.37223%0.229SC..Hα-helixtrans-59.9-45.2175.400000111.5G54 W60 R61 I62G54-A58 WeakPolarHBondContact O-CB 3.44Å; G54-A58 PolarHBondContact O-N 3.34Å; A58-W60 PolarHBondContact O-N 2.83Å; A58-R61 PolarHBondContact O-N 3.16Å; A58-I62 VanDerWaalsContact O-CG1 3.32Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3.3Å; A58-I62 VanDerWaalsContact O-N 3.08Å
59S96.9Very high95.5Very high52 Ų5247.5 Ų47.536%0.36426%0.255SS..Hα-helixtrans-59-47.5175.4-59.60000111.6A55 R56 R57 R61 I62 I63A55-S59 WeakPolarHBondContact O-CB 3.37Å; A55-S59 PolarHBondContact O-N 3.43Å; A55-S59 VanDerWaalsContact O-N 3.11Å; A55-S59 PolarHBondContact O-OG 3.32Å; R56-S59 WeakPolarHBondContact O-CB 3.31Å; R56-S59 PolarHBondContact O-N 2.98Å; R57-S59 VanDerWaalsContact C-N 3.34Å; R57-S59 PolarHBondContact O-N 3.11Å; S59-R61 PolarHBondContact O-N 3.44Å; S59-I62 PolarHBondContact O-N 2.88Å; S59-I63 WeakPolarHBondContact O-CD1 3.47Å; S59-I63 WeakPolarHBondContact O-CG1 3.37Å; S59-I63 PolarHBondContact O-N 2.86Å
60W97.6Very high95.2Very high32 Ų3248.4 Ų48.412%0.12126%0.26CS..Hα-helixtrans-61.7-43.8179.2176.978.8000112.9R56 R57 A58 I62 I63 T64 V89 E90 L93 E134 F135R56-W60 WeakPolarHBondContact O-CB 3.46Å; R56-W60 PolarHBondContact O-N 3.28Å; R57-W60 PolarHBondContact O-N 2.87Å; A58-W60 PolarHBondContact O-N 2.83Å; W60-I62 PolarHBondContact O-N 3.47Å; W60-I63 PolarHBondContact O-N 3.32Å; W60-T64 WeakPolarHBondContact O-CB 3.39Å; W60-T64 PolarHBondContact O-N 3.35Å; W60-T64 PolarHBondContact O-OG1 3.39Å; W60-V89 HydrophobicContact CB-CG1 3.81Å; W60-E90 PolarHBondContact NE1-OE1 3.21Å; W60-L93 HydrophobicContact CB-CD1 3.75Å; W60-L93 HydrophobicContact CG-CD1 3.9Å; W60-E134 HydrophobicContact CH2-CB 4.19Å; W60-E134 WeakPolarHBondContact CH2-O 3.24Å; W60-E134 HydrophobicContact CZ3-CB 4.18Å; W60-F135 HydrophobicContact CD2-CB 4.38Å; W60-F135 HydrophobicContact CH2-CB 4.17Å; W60-F135 HydrophobicContact CZ2-CB 3.43Å; W60-F135 VanDerWaalsContact CZ2-CB 3.43Å
61R95.5Very high94.8Very high77 Ų7751.9 Ų51.929%0.29128%0.276SS..Hα-helixtrans-60.6-44.8176.4-72.3174.1-178.8148.3-8.9111.8R57 A58 S59 T64 S65R57-R61 VanDerWaalsContact CZ-NH2 3.29Å; R57-R61 WeakPolarHBondContact O-CG 3.48Å; R57-R61 PolarHBondContact O-N 2.98Å; A58-R61 PolarHBondContact O-N 3.16Å; S59-R61 PolarHBondContact O-N 3.44Å; R61-T64 PolarHBondContact O-N 3.47Å; R61-S65 PolarHBondContact O-N 3.35Å
62I96.2Very high94.3Very high106 Ų10656 Ų5654%0.54430%0.299SS..Hα-helixtrans-62.9-48.4177.8-68.5167.9000110.6A58 S59 W60 T64 S65 I66A58-I62 VanDerWaalsContact O-CG1 3.32Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 3.3Å; A58-I62 VanDerWaalsContact O-N 3.08Å; S59-I62 PolarHBondContact O-N 2.88Å; W60-I62 PolarHBondContact O-N 3.47Å; I62-T64 VanDerWaalsContact C-N 3.34Å; I62-T64 PolarHBondContact O-N 3.43Å; I62-S65 WeakPolarHBondContact O-CB 3.4Å; I62-S65 PolarHBondContact O-N 3.18Å; I62-I66 HydrophobicContact CG2-CD1 3.83Å; I62-I66 WeakPolarHBondContact O-CG1 3.39Å; I62-I66 PolarHBondContact O-N 3.35Å
63I97.1Very high93.9Very high14 Ų1462.4 Ų62.47%0.07233%0.326CS..Hα-helixtrans-63.1-42.6-178.9-65.1160.5000110.6S59 W60 S65 I66 E67 I82 Y85 R86 V89S59-I63 WeakPolarHBondContact O-CD1 3.47Å; S59-I63 WeakPolarHBondContact O-CG1 3.37Å; S59-I63 PolarHBondContact O-N 2.86Å; W60-I63 PolarHBondContact O-N 3.32Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 3.2Å; I63-I66 WeakPolarHBondContact O-CB 3.41Å; I63-I66 PolarHBondContact O-N 3.03Å; I63-I66 VanDerWaalsContact O-N 3.13Å; I63-E67 PolarHBondContact O-N 2.85Å; I63-I82 HydrophobicContact CG2-CG2 4.06Å; I63-Y85 HydrophobicContact CD1-CD1 3.52Å; I63-Y85 HydrophobicContact CD1-CE1 3.43Å; I63-Y85 VanDerWaalsContact CD1-CE1 3.43Å; I63-Y85 HydrophobicContact CG1-CD1 4Å; I63-Y85 HydrophobicContact CG1-CE1 4.06Å; I63-R86 HydrophobicContact CG2-CB 3.69Å; I63-R86 HydrophobicContact CG2-CG 4.24Å; I63-V89 HydrophobicContact CD1-CB 4.37Å; I63-V89 HydrophobicContact CD1-CG2 3.57Å
64T95.7Very high93Very high25 Ų2565.5 Ų65.515%0.15336%0.358CS..Hα-helixtrans-61.2-40.6176-59.30000111.6W60 R61 I62 I66 E67 Q68W60-T64 WeakPolarHBondContact O-CB 3.39Å; W60-T64 PolarHBondContact O-N 3.35Å; W60-T64 PolarHBondContact O-OG1 3.39Å; R61-T64 PolarHBondContact O-N 3.47Å; I62-T64 VanDerWaalsContact C-N 3.34Å; I62-T64 PolarHBondContact O-N 3.43Å; T64-I66 PolarHBondContact O-N 3.21Å; T64-E67 WeakPolarHBondContact O-CB 3.48Å; T64-E67 PolarHBondContact O-N 3.34Å; T64-Q68 WeakPolarHBondContact O-CG 3.19Å; T64-Q68 PolarHBondContact O-N 3.44Å; T64-Q68 VanDerWaalsContact O-N 3.11Å
65S94.3Very high92.4Very high47 Ų4765.7 Ų65.733%0.32936%0.356SS..Hα-helixtrans-65-37.4174.1-174.30000112.7R61 I62 I63 K69R61-S65 PolarHBondContact O-N 3.35Å; I62-S65 WeakPolarHBondContact O-CB 3.4Å; I62-S65 PolarHBondContact O-N 3.18Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 3.2Å; S65-K69 WeakPolarHBondContact O-CG 3.28Å; S65-K69 PolarHBondContact O-N 3.2Å
66I94.3Very high92.2Very high82 Ų8271.2 Ų71.242%0.42137%0.374SS..Hα-helixtrans-67-42.3175.4-67.7166.8000110.6I62 I63 T64 Q68 K69 E70 I82I62-I66 HydrophobicContact CG2-CD1 3.83Å; I62-I66 WeakPolarHBondContact O-CG1 3.39Å; I62-I66 PolarHBondContact O-N 3.35Å; I63-I66 WeakPolarHBondContact O-CB 3.41Å; I63-I66 PolarHBondContact O-N 3.03Å; I63-I66 VanDerWaalsContact O-N 3.13Å; T64-I66 PolarHBondContact O-N 3.21Å; I66-Q68 PolarHBondContact O-N 3.19Å; I66-K69 PolarHBondContact O-N 3.12Å; I66-E70 PolarHBondContact O-N 3.15Å; I66-I82 HydrophobicContact CG2-CD1 3.9Å; I66-I82 HydrophobicContact CG2-CG1 4.34Å
67E93.9Very high91.9Very high19 Ų1976.2 Ų76.29%0.08940%0.4CS..Hα-helixtrans-55.7-52.4176.5-169.5-178.9165.300111.1I63 T64 K69 E70 E71 L79 I82 K83 R86I63-E67 PolarHBondContact O-N 2.85Å; T64-E67 WeakPolarHBondContact O-CB 3.48Å; T64-E67 PolarHBondContact O-N 3.34Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 2.87Å; E67-E70 PolarHBondContact O-N 3.11Å; E67-E70 VanDerWaalsContact O-N 3.11Å; E67-E71 WeakPolarHBondContact O-CB 3.39Å; E67-E71 PolarHBondContact O-N 3.45Å; E67-L79 HydrophobicContact CG-CD1 3.84Å; E67-I82 HydrophobicContact CB-CG2 3.61Å; E67-I82 HydrophobicContact CG-CG2 4.04Å; E67-K83 HydrophobicContact CG-CG 4.36Å; E67-K83 WeakPolarHBondContact OE1-CE 3.45Å; E67-K83 VanDerWaalsContact OE1-CG 3.22Å; E67-K83 WeakPolarHBondContact OE1-CG 3.37Å; E67-R86 IonicContact OE1-CZ 3.95Å; E67-R86 IonicContact OE1-NH2 3.91Å; E67-R86 WeakPolarHBondContact OE2-CD 3.35Å; E67-R86 IonicContact OE2-CZ 3.34Å; E67-R86 IonicContact OE2-NE 3.05Å; E67-R86 PolarHBondContact OE2-NE 3.2Å; E67-R86 IonicContact OE2-NH1 3.69Å; E67-R86 IonicContact OE2-NH2 3.96Å
68Q91.4Very high91.7Very high117 Ų11782.2 Ų82.255%0.54743%0.426SS..Hα-helixtrans-58.3-38.7178.3-70.6173-5.800112.5T64 I66 N72T64-Q68 WeakPolarHBondContact O-CG 3.19Å; T64-Q68 PolarHBondContact O-N 3.44Å; T64-Q68 VanDerWaalsContact O-N 3.11Å; I66-Q68 PolarHBondContact O-N 3.19Å; Q68-N72 PolarHBondContact O-ND2 3.41Å
69K91.5Very high91.7Very high129 Ų12981.2 Ų81.256%0.56141%0.414SS*.Hα-helixtrans-70.8-33178-73.7170.9-176.8167.40112.9S65 I66 E67S65-K69 WeakPolarHBondContact O-CG 3.28Å; S65-K69 PolarHBondContact O-N 3.2Å; I66-K69 PolarHBondContact O-N 3.12Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 2.87Å
70E90.3Very high91.6Very high21 Ų2184.3 Ų84.310%0.09842%0.423CS..Hα-helixtrans-83.9-31.5-178.6-159.166.2-171.200112.3I66 E67 N72 K73 K78 I82I66-E70 PolarHBondContact O-N 3.15Å; E67-E70 PolarHBondContact O-N 3.11Å; E67-E70 VanDerWaalsContact O-N 3.11Å; E70-N72 PolarHBondContact O-N 3.29Å; E70-K73 PolarHBondContact O-N 3.48Å; E70-K73 WeakPolarHBondContact OE2-CD 3.33Å; E70-K73 IonicContact OE2-NZ 3.97Å; E70-K73 PolarHBondContact OE2-NZ 3.4Å; E70-K78 HydrophobicContact CG-CB 4.16Å; E70-K78 VanDerWaalsContact OE1-CD 3.31Å; E70-K78 WeakPolarHBondContact OE1-CD 3.27Å; E70-I82 HydrophobicContact CB-CD1 3.69Å; E70-I82 HydrophobicContact CG-CD1 3.85Å
71E88.3Confident91.5Very high109 Ų10989.4 Ų89.451%0.50945%0.45SS..Hα-helixtrans-55.8-38172.8-171165.3-140.500111.4E67 K73 G74 L79E67-E71 WeakPolarHBondContact O-CB 3.39Å; E67-E71 PolarHBondContact O-N 3.45Å; E71-K73 PolarHBondContact O-N 2.9Å; E71-G74 PolarHBondContact O-N 3.43Å; E71-L79 HydrophobicContact CB-CD1 4.14Å; E71-L79 HydrophobicContact CB-CD2 4.41Å; E71-L79 HydrophobicContact CG-CD2 4.31Å
72N85.4Confident91.5Very high144 Ų14487.2 Ų87.277%0.7744%0.443SS*.THydrogen-bonded Turntrans-68.4-10.3176-69.7-37.5000115Q68 E70Q68-N72 PolarHBondContact O-ND2 3.41Å; E70-N72 PolarHBondContact O-N 3.29Å
73K86.7Confident91.6Very high143 Ų14385.4 Ų85.462%0.62243%0.432SS*.THydrogen-bonded Turntrans-103-9.8-177.4-60.3-178.3-159.9153.30114.2E70 E71 A75E70-K73 PolarHBondContact O-N 3.48Å; E70-K73 WeakPolarHBondContact OE2-CD 3.33Å; E70-K73 IonicContact OE2-NZ 3.97Å; E70-K73 PolarHBondContact OE2-NZ 3.4Å; E71-K73 PolarHBondContact O-N 2.9Å; K73-A75 VanDerWaalsContact C-N 3.33Å; K73-A75 PolarHBondContact O-N 2.76Å
74G78.4Confident91.6Very high65 Ų6588.2 Ų88.267%0.6745%0.449SS*.THydrogen-bonded Turntrans71.319.2178.600000115.5E71 E76E71-G74 PolarHBondContact O-N 3.43Å; G74-E76 PolarHBondContact O-N 3.08Å
75A83.7Confident91.7Very high33 Ų3393.2 Ų93.227%0.27347%0.466SS..  trans-89.185177.700000111.6K73 E77 K78 L79K73-A75 VanDerWaalsContact C-N 3.33Å; K73-A75 PolarHBondContact O-N 2.76Å; A75-E77 PolarHBondContact O-N 3.18Å; A75-K78 HydrophobicContact CB-CB 4.32Å; A75-K78 HydrophobicContact CB-CD 4.31Å; A75-K78 PolarHBondContact O-N 3.15Å; A75-L79 WeakPolarHBondContact O-CB 3.38Å; A75-L79 PolarHBondContact O-N 2.72Å
76E89.5Confident91.8Very high168 Ų16894.3 Ų94.379%0.78546%0.463SS*.Hα-helixtrans-56.5-45.7-172-66.3-178.4178.200114.3G74 K78 L79 E80G74-E76 PolarHBondContact O-N 3.08Å; E76-K78 PolarHBondContact O-N 2.97Å; E76-L79 PolarHBondContact O-N 3.19Å; E76-E80 PolarHBondContact O-N 3.46Å
77E91.2Very high92Very high170 Ų17091.9 Ų91.979%0.79446%0.458SS*.Hα-helixtrans-62.1-42.2-178.6-67-177.1169.600112.4A75 E80 M81A75-E77 PolarHBondContact O-N 3.18Å; E77-E80 PolarHBondContact O-N 3.4Å; E77-M81 WeakPolarHBondContact O-CG 3.48Å; E77-M81 PolarHBondContact O-N 3.43Å
78K92.7Very high92.2Very high128 Ų12895.8 Ų95.856%0.55748%0.477SS*.Hα-helixtrans-68.7-40.8177.4-71.2-177.7179.4177.80111.2E70 A75 E76 E80 M81 I82E70-K78 HydrophobicContact CG-CB 4.16Å; E70-K78 VanDerWaalsContact OE1-CD 3.31Å; E70-K78 WeakPolarHBondContact OE1-CD 3.27Å; A75-K78 HydrophobicContact CB-CB 4.32Å; A75-K78 HydrophobicContact CB-CD 4.31Å; A75-K78 PolarHBondContact O-N 3.15Å; E76-K78 PolarHBondContact O-N 2.97Å; K78-E80 VanDerWaalsContact C-N 3.3Å; K78-E80 PolarHBondContact O-N 3.21Å; K78-M81 PolarHBondContact O-N 3.45Å; K78-I82 WeakPolarHBondContact O-CD1 3.16Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.21Å; K78-I82 PolarHBondContact O-N 3.03Å
79L94.2Very high92.6Very high25 Ų2590.5 Ų90.513%0.13145%0.452CS..Hα-helixtrans-60.1-42.3177.8-176.361.3000111.1E67 E71 A75 E76 I82 K83E67-L79 HydrophobicContact CG-CD1 3.84Å; E71-L79 HydrophobicContact CB-CD1 4.14Å; E71-L79 HydrophobicContact CB-CD2 4.41Å; E71-L79 HydrophobicContact CG-CD2 4.31Å; A75-L79 WeakPolarHBondContact O-CB 3.38Å; A75-L79 PolarHBondContact O-N 2.72Å; E76-L79 PolarHBondContact O-N 3.19Å; L79-I82 PolarHBondContact O-N 3.06Å; L79-K83 HydrophobicContact CG-CD 4.31Å; L79-K83 WeakPolarHBondContact O-CG 3.45Å; L79-K83 PolarHBondContact O-N 2.99Å
80E95.2Very high92.9Very high116 Ų11685.7 Ų85.754%0.54243%0.432SS..Hα-helixtrans-65.6-40.1177.3-171.157.4-154.300112.5E76 E77 K78 I82 K83 T84E76-E80 PolarHBondContact O-N 3.46Å; E77-E80 PolarHBondContact O-N 3.4Å; K78-E80 VanDerWaalsContact C-N 3.3Å; K78-E80 PolarHBondContact O-N 3.21Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.8Å; E80-K83 PolarHBondContact O-N 3.36Å; E80-T84 WeakPolarHBondContact O-CB 3.44Å; E80-T84 PolarHBondContact O-N 2.98Å; E80-T84 PolarHBondContact O-OG1 3.06Å
81M95.9Very high93.3Very high140 Ų14090.7 Ų90.769%0.6945%0.453SS*.Hα-helixtrans-60.8-42.7173-71.3-179.965.400112E77 K78 T84 Y85E77-M81 WeakPolarHBondContact O-CG 3.48Å; E77-M81 PolarHBondContact O-N 3.43Å; K78-M81 PolarHBondContact O-N 3.45Å; M81-T84 PolarHBondContact O-N 2.94Å; M81-Y85 WeakPolarHBondContact O-CB 3.36Å; M81-Y85 PolarHBondContact O-N 2.93Å
82I96.3Very high93.8Very high30 Ų3089.4 Ų89.415%0.15445%0.447CS..Hα-helixtrans-64.8-46.1178.2-66.1158.9000110.4I63 I66 E67 E70 K78 L79 E80 T84 Y85 R86I63-I82 HydrophobicContact CG2-CG2 4.06Å; I66-I82 HydrophobicContact CG2-CD1 3.9Å; I66-I82 HydrophobicContact CG2-CG1 4.34Å; E67-I82 HydrophobicContact CB-CG2 3.61Å; E67-I82 HydrophobicContact CG-CG2 4.04Å; E70-I82 HydrophobicContact CB-CD1 3.69Å; E70-I82 HydrophobicContact CG-CD1 3.85Å; K78-I82 WeakPolarHBondContact O-CD1 3.16Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.21Å; K78-I82 PolarHBondContact O-N 3.03Å; L79-I82 PolarHBondContact O-N 3.06Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 2.8Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.79Å; I82-Y85 PolarHBondContact O-N 3.12Å; I82-R86 WeakPolarHBondContact O-CB 3.14Å; I82-R86 PolarHBondContact O-N 3.32Å
83K96.6Very high94.4Very high69 Ų6982.6 Ų82.630%0.341%0.411SS..Hα-helixtrans-59.2-43.8177.1-78.4175.9178.2178.40112.2E67 L79 E80 R86 G87E67-K83 HydrophobicContact CG-CG 4.36Å; E67-K83 WeakPolarHBondContact OE1-CE 3.45Å; E67-K83 VanDerWaalsContact OE1-CG 3.22Å; E67-K83 WeakPolarHBondContact OE1-CG 3.37Å; L79-K83 HydrophobicContact CG-CD 4.31Å; L79-K83 WeakPolarHBondContact O-CG 3.45Å; L79-K83 PolarHBondContact O-N 2.99Å; E80-K83 PolarHBondContact O-N 3.36Å; K83-R86 PolarHBondContact O-N 3.08Å; K83-G87 PolarHBondContact O-N 3.41Å
84T97.7Very high94.9Very high72 Ų7280 Ų8044%0.44240%0.397SS..Hα-helixtrans-61-46.5176.2-62.40000111.1E80 M81 I82 G87 Q88E80-T84 WeakPolarHBondContact O-CB 3.44Å; E80-T84 PolarHBondContact O-N 2.98Å; E80-T84 PolarHBondContact O-OG1 3.06Å; M81-T84 PolarHBondContact O-N 2.94Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.79Å; T84-G87 PolarHBondContact O-N 3.27Å; T84-Q88 PolarHBondContact O-N 3.29Å
85Y97.8Very high95.9Very high130 Ų13080.6 Ų80.651%0.5139%0.385SS..Hα-helixtrans-67.9-40.3-179.9-170.4-123.8000112.3I63 M81 I82 G87 Q88 V89I63-Y85 HydrophobicContact CD1-CD1 3.52Å; I63-Y85 HydrophobicContact CD1-CE1 3.43Å; I63-Y85 VanDerWaalsContact CD1-CE1 3.43Å; I63-Y85 HydrophobicContact CG1-CD1 4Å; I63-Y85 HydrophobicContact CG1-CE1 4.06Å; M81-Y85 WeakPolarHBondContact O-CB 3.36Å; M81-Y85 PolarHBondContact O-N 2.93Å; I82-Y85 PolarHBondContact O-N 3.12Å; Y85-G87 VanDerWaalsContact C-N 3.31Å; Y85-G87 PolarHBondContact O-N 3.39Å; Y85-Q88 WeakPolarHBondContact O-CB 2.89Å; Y85-Q88 PolarHBondContact O-N 2.91Å; Y85-Q88 VanDerWaalsContact O-N 3.13Å; Y85-V89 PolarHBondContact O-N 3.13Å; Y85-V89 VanDerWaalsContact O-N 3.17Å
86R97.7Very high96.6Very high70 Ų7080 Ų8026%0.26438%0.377SS..Hα-helixtrans-55.6-47171.5-173.3-171.657.7151.3-3.6111.2I63 E67 I82 K83 Q88 V89 E90I63-R86 HydrophobicContact CG2-CB 3.69Å; I63-R86 HydrophobicContact CG2-CG 4.24Å; E67-R86 IonicContact OE1-CZ 3.95Å; E67-R86 IonicContact OE1-NH2 3.91Å; E67-R86 WeakPolarHBondContact OE2-CD 3.35Å; E67-R86 IonicContact OE2-CZ 3.34Å; E67-R86 IonicContact OE2-NE 3.05Å; E67-R86 PolarHBondContact OE2-NE 3.2Å; E67-R86 IonicContact OE2-NH1 3.69Å; E67-R86 IonicContact OE2-NH2 3.96Å; I82-R86 WeakPolarHBondContact O-CB 3.14Å; I82-R86 PolarHBondContact O-N 3.32Å; K83-R86 PolarHBondContact O-N 3.08Å; R86-Q88 VanDerWaalsContact C-N 3.25Å; R86-Q88 PolarHBondContact O-N 3.29Å; R86-V89 PolarHBondContact O-N 3.32Å; R86-V89 VanDerWaalsContact O-N 3.09Å; R86-E90 WeakPolarHBondContact CD-OE1 3.12Å; R86-E90 HydrophobicContact CG-CG 4.37Å; R86-E90 IonicContact CZ-OE1 3.02Å; R86-E90 IonicContact NE-OE1 2.76Å; R86-E90 IonicContact NH1-OE1 3.28Å; R86-E90 WeakPolarHBondContact O-CG 3.26Å; R86-E90 PolarHBondContact O-N 2.76Å
87G97.9Very high97Very high31 Ų3172 Ų7232%0.3234%0.34SS..Hα-helixtrans-60.8-31.6178.300000113.7K83 T84 Y85 K91K83-G87 PolarHBondContact O-N 3.41Å; T84-G87 PolarHBondContact O-N 3.27Å; Y85-G87 VanDerWaalsContact C-N 3.31Å; Y85-G87 PolarHBondContact O-N 3.39Å; G87-K91 WeakPolarHBondContact O-CB 3.25Å; G87-K91 PolarHBondContact O-N 3.39Å
88Q98.3Very high97.4Very high102 Ų10266.2 Ų66.248%0.47732%0.318SS..Hα-helixtrans-66.7-45.7172.5-67.4174.52.300111.4T84 Y85 R86 K91 E92T84-Q88 PolarHBondContact O-N 3.29Å; Y85-Q88 WeakPolarHBondContact O-CB 2.89Å; Y85-Q88 PolarHBondContact O-N 2.91Å; Y85-Q88 VanDerWaalsContact O-N 3.13Å; R86-Q88 VanDerWaalsContact C-N 3.25Å; R86-Q88 PolarHBondContact O-N 3.29Å; Q88-K91 WeakPolarHBondContact O-CB 3.48Å; Q88-K91 PolarHBondContact O-N 3.4Å; Q88-E92 PolarHBondContact O-N 2.94Å
89V98.4Very high97.6Very high5 Ų562.3 Ų62.33%0.0330%0.303CS..Hα-helixtrans-65.5-39.4177.3-179.10000111.6W60 I63 Y85 R86 K91 E92 L93W60-V89 HydrophobicContact CB-CG1 3.81Å; I63-V89 HydrophobicContact CD1-CB 4.37Å; I63-V89 HydrophobicContact CD1-CG2 3.57Å; Y85-V89 PolarHBondContact O-N 3.13Å; Y85-V89 VanDerWaalsContact O-N 3.17Å; R86-V89 PolarHBondContact O-N 3.32Å; R86-V89 VanDerWaalsContact O-N 3.09Å; V89-K91 VanDerWaalsContact C-N 3.29Å; V89-K91 PolarHBondContact O-N 2.92Å; V89-E92 PolarHBondContact O-N 3.37Å; V89-L93 HydrophobicContact CG1-CD1 4.43Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.49Å
90E98.5Very high97.8Very high29 Ų2961.1 Ų61.114%0.13630%0.297CS..Hα-helixtrans-62.3-36.2173.8-72.4175.117800112.2W60 R86 R94 F135W60-E90 PolarHBondContact NE1-OE1 3.21Å; R86-E90 WeakPolarHBondContact CD-OE1 3.12Å; R86-E90 HydrophobicContact CG-CG 4.37Å; R86-E90 IonicContact CZ-OE1 3.02Å; R86-E90 IonicContact NE-OE1 2.76Å; R86-E90 IonicContact NH1-OE1 3.28Å; R86-E90 WeakPolarHBondContact O-CG 3.26Å; R86-E90 PolarHBondContact O-N 2.76Å; E90-R94 WeakPolarHBondContact O-CB 3.39Å; E90-R94 PolarHBondContact O-N 2.84Å; E90-F135 HydrophobicContact CB-CD2 3.85Å; E90-F135 HydrophobicContact CB-CE2 4.16Å; E90-F135 HydrophobicContact CG-CB 4.07Å; E90-F135 HydrophobicContact CG-CD2 3.82Å; E90-F135 HydrophobicContact CG-CG 4.14Å; E90-F135 WeakPolarHBondContact O-CE2 3.02Å
91K98.4Very high98Very high125 Ų12556.1 Ų56.154%0.54327%0.274SS..Hα-helixtrans-64.5-46.9172.4-174.8-171.7173.3-63.30111.1G87 Q88 V89 L93 R94 D95G87-K91 WeakPolarHBondContact O-CB 3.25Å; G87-K91 PolarHBondContact O-N 3.39Å; Q88-K91 WeakPolarHBondContact O-CB 3.48Å; Q88-K91 PolarHBondContact O-N 3.4Å; V89-K91 VanDerWaalsContact C-N 3.29Å; V89-K91 PolarHBondContact O-N 2.92Å; K91-L93 PolarHBondContact O-N 3.38Å; K91-R94 PolarHBondContact O-N 3.26Å; K91-D95 IonicContact NZ-OD1 3.63Å; K91-D95 IonicContact NZ-OD2 3.24Å; K91-D95 PolarHBondContact NZ-OD2 3.2Å; K91-D95 VanDerWaalsContact O-CG 3.23Å; K91-D95 PolarHBondContact O-N 2.92Å
92E98.4Very high98.1Very high82 Ų8252.7 Ų52.738%0.38326%0.258SS..Hα-helixtrans-59.2-46176.3-69.1179-157.300111.8R56 Q88 V89 R94 D95 I96R56-E92 HydrophobicContact CG-CB 4.14Å; R56-E92 IonicContact NE-OE2 2.66Å; R56-E92 PolarHBondContact NE-OE2 2.89Å; R56-E92 VanDerWaalsContact NE-OE2 3.12Å; Q88-E92 PolarHBondContact O-N 2.94Å; V89-E92 PolarHBondContact O-N 3.37Å; E92-R94 VanDerWaalsContact C-N 3.31Å; E92-R94 PolarHBondContact O-N 3.31Å; E92-D95 PolarHBondContact O-N 2.84Å; E92-I96 WeakPolarHBondContact O-CD1 3.29Å; E92-I96 VanDerWaalsContact O-CG1 3.25Å; E92-I96 WeakPolarHBondContact O-CG1 3.48Å; E92-I96 PolarHBondContact O-N 3.43Å
93L98.4Very high98.3Very high1 Ų151.7 Ų51.71%0.00525%0.254CS..Hα-helixtrans-56.3-46.1174.7-78.9171.4000111.7I53 R56 R57 W60 V89 K91 D95 I96 C97 F135I53-L93 HydrophobicContact CD1-CD2 3.55Å; 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 3.74Å; W60-L93 HydrophobicContact CB-CD1 3.75Å; W60-L93 HydrophobicContact CG-CD1 3.9Å; V89-L93 HydrophobicContact CG1-CD1 4.43Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.49Å; K91-L93 PolarHBondContact O-N 3.38Å; L93-D95 VanDerWaalsContact C-N 3.34Å; L93-D95 PolarHBondContact O-N 2.9Å; L93-I96 PolarHBondContact O-N 3.4Å; L93-C97 WeakPolarHBondContact O-CB 3.07Å; L93-C97 PolarHBondContact O-N 3.24Å; L93-C97 PolarHBondContact O-SG 3.15Å; L93-F135 HydrophobicContact CB-CD1 4.44Å; L93-F135 HydrophobicContact CB-CE1 3.68Å; L93-F135 HydrophobicContact CB-CZ 3.72Å; L93-F135 HydrophobicContact CD1-CD1 4.01Å; L93-F135 HydrophobicContact CD1-CE1 4.05Å; L93-F135 HydrophobicContact CG-CE1 4.43Å
94R98.5Very high98.4Very high88 Ų8848.4 Ų48.433%0.33224%0.24SC..Hα-helixtrans-64.3-39.8179.3-168.1-177-54.9-105-0.4111.9E90 K91 E92 S98 L132 F135 D140E90-R94 WeakPolarHBondContact O-CB 3.39Å; E90-R94 PolarHBondContact O-N 2.84Å; K91-R94 PolarHBondContact O-N 3.26Å; E92-R94 VanDerWaalsContact C-N 3.31Å; E92-R94 PolarHBondContact O-N 3.31Å; R94-S98 VanDerWaalsContact O-CB 3.26Å; R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 3.01Å; R94-S98 PolarHBondContact O-OG 2.94Å; R94-L132 HydrophobicContact CB-CD2 4.38Å; R94-L132 HydrophobicContact CG-CD2 4.07Å; R94-F135 HydrophobicContact CB-CE2 4.28Å; R94-F135 HydrophobicContact CB-CZ 4.17Å; R94-D140 IonicContact NH1-OD2 3.51Å; R94-D140 PolarHBondContact NH1-OD2 3.47Å
95D98.6Very high98.4Very high79 Ų7949.2 Ų49.242%0.42224%0.238SC..Hα-helixtrans-65.5-45.6178-69.2-19000110.6K91 E92 L93 S98 D99K91-D95 IonicContact NZ-OD1 3.63Å; K91-D95 IonicContact NZ-OD2 3.24Å; K91-D95 PolarHBondContact NZ-OD2 3.2Å; K91-D95 VanDerWaalsContact O-CG 3.23Å; K91-D95 PolarHBondContact O-N 2.92Å; E92-D95 PolarHBondContact O-N 2.84Å; L93-D95 VanDerWaalsContact C-N 3.34Å; L93-D95 PolarHBondContact O-N 2.9Å; D95-S98 PolarHBondContact O-N 2.87Å; D95-D99 WeakPolarHBondContact O-CB 3.43Å; D95-D99 PolarHBondContact O-N 3.37Å
96I98.4Very high98.4Very high21 Ų2149.2 Ų49.211%0.10824%0.241CC..Hα-helixtrans-61.5-48175.9-62.3156.3000110.8Y49 V52 I53 R56 E92 L93 S98 D99 I100 Y128Y49-I96 HydrophobicContact CD1-CG2 4.18Å; V52-I96 HydrophobicContact CG1-CD1 3.68Å; V52-I96 HydrophobicContact CG1-CG1 3.91Å; V52-I96 HydrophobicContact CG1-CG2 4.25Å; 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 3.54Å; I53-I96 HydrophobicContact CG1-CG2 4.38Å; R56-I96 HydrophobicContact CB-CD1 4.23Å; R56-I96 HydrophobicContact CG-CD1 3.86Å; E92-I96 WeakPolarHBondContact O-CD1 3.29Å; E92-I96 VanDerWaalsContact O-CG1 3.25Å; E92-I96 WeakPolarHBondContact O-CG1 3.48Å; E92-I96 PolarHBondContact O-N 3.43Å; L93-I96 PolarHBondContact O-N 3.4Å; I96-S98 PolarHBondContact O-N 2.86Å; I96-D99 PolarHBondContact O-N 2.93Å; I96-I100 WeakPolarHBondContact O-CG2 3.34Å; I96-I100 PolarHBondContact O-N 2.64Å; I96-Y128 HydrophobicContact CG2-CE1 4.47Å
97C98.5Very high98.4Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-62.1-45179.4-65.90000111.3L93 D99 I100 L101 Y128 L132L93-C97 WeakPolarHBondContact O-CB 3.07Å; L93-C97 PolarHBondContact O-N 3.24Å; L93-C97 PolarHBondContact O-SG 3.15Å; C97-D99 VanDerWaalsContact C-N 3.28Å; C97-D99 PolarHBondContact O-N 3.49Å; C97-I100 VanDerWaalsContact O-CG2 3.31Å; C97-I100 WeakPolarHBondContact O-CG2 3.34Å; C97-L101 VanDerWaalsContact O-CB 3.24Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CD1 3.41Å; C97-L101 WeakPolarHBondContact O-CG 3.24Å; C97-L101 PolarHBondContact O-N 3.5Å; 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 Ų4846.8 Ų46.834%0.33622%0.224SC..Hα-helixtrans-62.8-37.6178.5-590000111.6R94 D95 I96 N102R94-S98 VanDerWaalsContact O-CB 3.26Å; R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 3.01Å; R94-S98 PolarHBondContact O-OG 2.94Å; D95-S98 PolarHBondContact O-N 2.87Å; I96-S98 PolarHBondContact O-N 2.86Å; S98-N102 WeakPolarHBondContact O-CB 3.46Å; S98-N102 PolarHBondContact O-N 3.05Å; S98-N102 PolarHBondContact O-ND2 3.3Å
99D98.5Very high98.5Very high45 Ų4543.3 Ų43.324%0.24121%0.209CC..Hα-helixtrans-63.3-54.1179.2-170.844.7000111.7K28 Y49 D95 I96 C97 L101 N102 V103K28-D99 WeakPolarHBondContact CD-OD2 3.38Å; K28-D99 WeakPolarHBondContact CE-OD1 3.43Å; K28-D99 WeakPolarHBondContact CE-OD2 3.44Å; K28-D99 IonicContact NZ-OD1 2.89Å; K28-D99 PolarHBondContact NZ-OD1 3.35Å; K28-D99 IonicContact NZ-OD2 3.99Å; K28-D99 PolarHBondContact NZ-OD2 3.42Å; Y49-D99 HydrophobicContact CE1-CB 4.44Å; Y49-D99 VanDerWaalsContact OH-CG 3.31Å; Y49-D99 PolarHBondContact OH-OD2 2.92Å; D95-D99 WeakPolarHBondContact O-CB 3.43Å; D95-D99 PolarHBondContact O-N 3.37Å; I96-D99 PolarHBondContact O-N 2.93Å; C97-D99 VanDerWaalsContact C-N 3.28Å; C97-D99 PolarHBondContact O-N 3.49Å; D99-L101 PolarHBondContact O-N 3.41Å; D99-N102 WeakPolarHBondContact O-CB 3.3Å; D99-N102 PolarHBondContact O-N 3.2Å; D99-V103 WeakPolarHBondContact O-CG2 3.33Å; D99-V103 PolarHBondContact O-N 2.83Å; D99-V103 VanDerWaalsContact O-N 3.08Å
100I98.5Very high98.5Very high0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-66.7-38.4178.8-177.657.1000112.7L45 Y49 I96 C97 N102 V103 L104 M124 Y128L45-I100 HydrophobicContact CD2-CD1 4.47Å; 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 4.45Å; Y49-I100 HydrophobicContact CD2-CD1 3.73Å; Y49-I100 HydrophobicContact CD2-CG1 4.33Å; Y49-I100 HydrophobicContact CE1-CB 3.64Å; Y49-I100 HydrophobicContact CE1-CG2 4.47Å; Y49-I100 HydrophobicContact CE2-CB 4.3Å; Y49-I100 HydrophobicContact CE2-CD1 3.69Å; Y49-I100 HydrophobicContact CE2-CG1 4.44Å; Y49-I100 HydrophobicContact CG-CB 4.17Å; Y49-I100 HydrophobicContact CG-CD1 4.17Å; Y49-I100 HydrophobicContact CG-CG1 4.27Å; I96-I100 WeakPolarHBondContact O-CG2 3.34Å; I96-I100 PolarHBondContact O-N 2.64Å; C97-I100 VanDerWaalsContact O-CG2 3.31Å; C97-I100 WeakPolarHBondContact O-CG2 3.34Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 3.06Å; I100-V103 HydrophobicContact CD1-CB 4.44Å; I100-V103 PolarHBondContact O-N 3.02Å; I100-V103 VanDerWaalsContact O-N 3.12Å; I100-L104 HydrophobicContact CD1-CD1 4.29Å; I100-L104 HydrophobicContact CD1-CG 4.03Å; I100-L104 HydrophobicContact CG1-CD1 3.86Å; I100-L104 HydrophobicContact CG1-CG 4.14Å; I100-L104 WeakPolarHBondContact O-CB 3.33Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 2.71Å; I100-M124 HydrophobicContact CD1-CE 3.69Å; I100-M124 HydrophobicContact CD1-SD 4.06Å; I100-M124 HydrophobicContact CG1-CE 3.75Å; I100-M124 HydrophobicContact CG1-SD 4.22Å; I100-Y128 HydrophobicContact CG1-CD2 4.22Å; I100-Y128 HydrophobicContact CG1-CE2 4.15Å; I100-Y128 HydrophobicContact CG2-CD1 3.3Å; I100-Y128 HydrophobicContact CG2-CD2 3.71Å; I100-Y128 HydrophobicContact CG2-CE1 3.57Å; I100-Y128 HydrophobicContact CG2-CE2 3.99Å; I100-Y128 HydrophobicContact CG2-CG 3.38Å
101L98.8Very high98.4Very high12 Ų1247.3 Ų47.36%0.06324%0.237CC..Hα-helixtrans-60.3-41176.5-72.2170.5000110.7C97 D99 L104 E105 K125 L132C97-L101 VanDerWaalsContact O-CB 3.24Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CD1 3.41Å; C97-L101 WeakPolarHBondContact O-CG 3.24Å; C97-L101 PolarHBondContact O-N 3.5Å; D99-L101 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 2.87Å; L101-E105 WeakPolarHBondContact O-CB 3.47Å; L101-E105 VanDerWaalsContact O-CG 3.3Å; L101-E105 WeakPolarHBondContact O-CG 3.21Å; L101-E105 PolarHBondContact O-N 2.84Å; L101-K125 HydrophobicContact CD2-CB 4.45Å; L101-K125 HydrophobicContact CD2-CG 3.83Å; L101-L132 HydrophobicContact CD1-CD1 3.76Å
102N98.6Very high98.4Very high67 Ų6741.8 Ų41.836%0.35822%0.215SC..Hα-helixtrans-62.4-42.7173.6-85.1-65000112.4S98 D99 I100 K106S98-N102 WeakPolarHBondContact O-CB 3.46Å; S98-N102 PolarHBondContact O-N 3.05Å; S98-N102 PolarHBondContact O-ND2 3.3Å; D99-N102 WeakPolarHBondContact O-CB 3.3Å; D99-N102 PolarHBondContact O-N 3.2Å; I100-N102 VanDerWaalsContact C-N 3.27Å; I100-N102 PolarHBondContact O-N 3.06Å; N102-K106 VanDerWaalsContact O-CB 3.26Å; N102-K106 WeakPolarHBondContact O-CB 3.37Å; N102-K106 VanDerWaalsContact O-CG 3.31Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.38Å; N102-K106 WeakPolarHBondContact OD1-CE 3.41Å; N102-K106 PolarHBondContact OD1-NZ 2.82Å
103V98.6Very high98.3Very high10 Ų1042.7 Ų42.76%0.06123%0.226CC..Hα-helixtrans-64.2-44.2178.1174.30000111K28 A31 D99 I100 H107 L108K28-V103 HydrophobicContact CG-CG2 4.07Å; A31-V103 HydrophobicContact CB-CG1 3.64Å; D99-V103 WeakPolarHBondContact O-CG2 3.33Å; D99-V103 PolarHBondContact O-N 2.83Å; D99-V103 VanDerWaalsContact O-N 3.08Å; I100-V103 HydrophobicContact CD1-CB 4.44Å; I100-V103 PolarHBondContact O-N 3.02Å; I100-V103 VanDerWaalsContact O-N 3.12Å; V103-H107 WeakPolarHBondContact O-CB 3.29Å; V103-H107 PolarHBondContact O-N 2.86Å; V103-L108 HydrophobicContact CG1-CD1 3.83Å; V103-L108 HydrophobicContact CG1-CG 4.06Å; V103-L108 PolarHBondContact O-N 3.28Å
104L98.7Very high98.2Very high0 Ų044.9 Ų44.90%024%0.242CC..Iπ-helixtrans-60.4-50.3177.5-73.2166.2000111.3I100 L101 L108 I109 Y121 M124 K125I100-L104 HydrophobicContact CD1-CD1 4.29Å; I100-L104 HydrophobicContact CD1-CG 4.03Å; I100-L104 HydrophobicContact CG1-CD1 3.86Å; I100-L104 HydrophobicContact CG1-CG 4.14Å; I100-L104 WeakPolarHBondContact O-CB 3.33Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 2.71Å; L101-L104 PolarHBondContact O-N 2.87Å; L104-L108 HydrophobicContact CD2-CB 4.4Å; L104-L108 HydrophobicContact CD2-CD1 3.98Å; L104-L108 PolarHBondContact O-N 3.01Å; L104-I109 HydrophobicContact CB-CD1 4.23Å; L104-I109 WeakPolarHBondContact O-CB 3.24Å; L104-I109 WeakPolarHBondContact O-CG1 3.42Å; L104-I109 PolarHBondContact O-N 3.45Å; L104-Y121 HydrophobicContact CD2-CD1 3.73Å; L104-Y121 HydrophobicContact CD2-CG 4.07Å; L104-M124 HydrophobicContact CD1-CB 4.23Å; L104-M124 HydrophobicContact CD1-CG 4.12Å; L104-M124 HydrophobicContact CD1-SD 4.37Å; L104-M124 HydrophobicContact CD2-CB 4.42Å; L104-M124 HydrophobicContact CD2-SD 4.09Å; L104-K125 HydrophobicContact CD1-CB 4.16Å
105E98.4Very high98.1Very high89 Ų8941.2 Ų41.242%0.41623%0.231SC..Iπ-helixtrans-71.5-39.1-175.1-71.2-177.1160.300113.4L101 P110 K125L101-E105 WeakPolarHBondContact O-CB 3.47Å; L101-E105 VanDerWaalsContact O-CG 3.3Å; L101-E105 WeakPolarHBondContact O-CG 3.21Å; L101-E105 PolarHBondContact O-N 2.84Å; E105-P110 WeakPolarHBondContact O-CD 3.48Å; E105-P110 WeakPolarHBondContact O-CG 3.25Å; E105-K125 VanDerWaalsContact OE1-CE 3.24Å; E105-K125 WeakPolarHBondContact OE1-CE 3.44Å; E105-K125 IonicContact OE1-NZ 3.41Å; E105-K125 PolarHBondContact OE1-NZ 2.91Å
106K98.2Very high98Very high130 Ų13040.2 Ų40.257%0.56522%0.224SC*.Iπ-helixtrans-84.3-33.8-174.4-67.2177.1-176.2169.10113.4N102N102-K106 VanDerWaalsContact O-CB 3.26Å; N102-K106 WeakPolarHBondContact O-CB 3.37Å; N102-K106 VanDerWaalsContact O-CG 3.31Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.38Å; N102-K106 WeakPolarHBondContact OD1-CE 3.41Å; N102-K106 PolarHBondContact OD1-NZ 2.82Å
107H98.4Very high98Very high43 Ų4339.6 Ų39.620%0.19922%0.222CC..Iπ-helixtrans-123.2-50.8-166.8-57-61.3000112.8A31 D34 V103 C111A31-H107 WeakPolarHBondContact O-CB 3.4Å; D34-H107 IonicContact OD1-CE1 2.85Å; D34-H107 IonicContact OD1-CG 3.65Å; D34-H107 IonicContact OD1-ND1 3.79Å; D34-H107 PolarHBondContact OD1-ND1 3.43Å; D34-H107 IonicContact OD2-ND1 2.89Å; V103-H107 WeakPolarHBondContact O-CB 3.29Å; V103-H107 PolarHBondContact O-N 2.86Å; H107-C111 VanDerWaalsContact O-CB 3.31Å; H107-C111 WeakPolarHBondContact O-CB 3.15Å; H107-C111 PolarHBondContact O-N 3.05Å; H107-C111 PolarHBondContact O-SG 2.96Å
108L98.5Very high98Very high6 Ų643 Ų433%0.03124%0.237CC..Iπ-helixtrans-82.9-48.4-166.4-56.7178.5000114A31 L37 L45 V103 L104 C111 A112 Y121A31-L108 HydrophobicContact CB-CD2 3.69Å; A31-L108 HydrophobicContact CB-CG 4.29Å; L37-L108 HydrophobicContact CD1-CD2 3.68Å; L37-L108 HydrophobicContact CD2-CD2 4.49Å; L37-L108 HydrophobicContact CG-CD2 3.86Å; L45-L108 HydrophobicContact CD2-CD1 3.28Å; V103-L108 HydrophobicContact CG1-CD1 3.83Å; V103-L108 HydrophobicContact CG1-CG 4.06Å; V103-L108 PolarHBondContact O-N 3.28Å; L104-L108 HydrophobicContact CD2-CB 4.4Å; L104-L108 HydrophobicContact CD2-CD1 3.98Å; L104-L108 PolarHBondContact O-N 3.01Å; L108-C111 PolarHBondContact O-N 2.97Å; L108-A112 WeakPolarHBondContact O-CB 3.1Å; L108-A112 PolarHBondContact O-N 3.45Å; L108-Y121 HydrophobicContact CB-CD1 4.06Å; L108-Y121 HydrophobicContact CB-CD2 4.02Å; L108-Y121 HydrophobicContact CB-CE1 4.01Å; L108-Y121 HydrophobicContact CB-CE2 3.97Å; L108-Y121 HydrophobicContact CB-CG 4.09Å; L108-Y121 HydrophobicContact CD1-CD1 4.15Å; L108-Y121 HydrophobicContact CD1-CE1 3.88Å; L108-Y121 HydrophobicContact CG-CE1 4.41Å
109I98.4Very high98Very high30 Ų3040.7 Ų40.715%0.15422%0.221CC..Hα-helixtrans-62.2-44.7178.3-67.1170.9000111L104 C111 A112 Y122 K125L104-I109 HydrophobicContact CB-CD1 4.23Å; L104-I109 WeakPolarHBondContact O-CB 3.24Å; L104-I109 WeakPolarHBondContact O-CG1 3.42Å; L104-I109 PolarHBondContact O-N 3.45Å; I109-C111 VanDerWaalsContact C-N 3.28Å; I109-C111 PolarHBondContact O-N 3.47Å; I109-A112 PolarHBondContact O-N 3.3Å; I109-Y122 HydrophobicContact CD1-CD1 4.37Å; I109-Y122 HydrophobicContact CD1-CE1 4.25Å; I109-Y122 HydrophobicContact CG2-CE1 4.47Å; I109-Y122 HydrophobicContact CG2-CE2 4.08Å; I109-K125 HydrophobicContact CD1-CD 4.1Å
110P98.2Very high98Very high87 Ų8739.6 Ų39.657%0.56521%0.213SC*.Hα-helixtrans-62.2-31.9176.7-25.836.7000114.4E105E105-P110 WeakPolarHBondContact O-CD 3.48Å; E105-P110 WeakPolarHBondContact O-CG 3.25Å
111C97.2Very high98Very high30 Ų3039.7 Ų39.720%0.20321%0.214CC..Hα-helixtrans-90.8-7.9-178.2-65.90000114D34 H107 L108 I109 T113D34-C111 PolarHBondContact O-SG 2.93Å; H107-C111 VanDerWaalsContact O-CB 3.31Å; H107-C111 WeakPolarHBondContact O-CB 3.15Å; H107-C111 PolarHBondContact O-N 3.05Å; H107-C111 PolarHBondContact O-SG 2.96Å; L108-C111 PolarHBondContact O-N 2.97Å; I109-C111 VanDerWaalsContact C-N 3.28Å; I109-C111 PolarHBondContact O-N 3.47Å; C111-T113 PolarHBondContact O-N 2.98Å
112A97.5Very high98Very high9 Ų942.3 Ų42.37%0.07422%0.223CC..  trans-72.5117.5-178.800000111.4L108 I109 K118 Y121L108-A112 WeakPolarHBondContact O-CB 3.1Å; L108-A112 PolarHBondContact O-N 3.45Å; I109-A112 PolarHBondContact O-N 3.3Å; A112-K118 HydrophobicContact CB-CG 3.77Å; A112-K118 WeakPolarHBondContact O-CE 3.31Å; A112-Y121 HydrophobicContact CB-CD2 3.79Å; A112-Y121 HydrophobicContact CB-CE2 3.88Å
113T96.6Very high98Very high101 Ų10140.1 Ų40.162%0.6221%0.211SC*.  trans-99.4-40.8-179.569.10000112E36 C111 K118E36-T113 PolarHBondContact OE1-N 3.43Å; E36-T113 PolarHBondContact OE1-OG1 2.75Å; E36-T113 WeakPolarHBondContact OE2-CB 3.47Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.44Å; E36-T113 PolarHBondContact OE2-OG1 3.09Å; C111-T113 PolarHBondContact O-N 2.98Å; T113-K118 PolarHBondContact O-NZ 3.48Å
114S96.6Very high98Very high47 Ų4740.1 Ų40.133%0.32921%0.21SC..SBendtrans-77.7152-179.276.20000112.7E116 S117 K118S114-E116 VanDerWaalsContact C-N 3.27Å; S114-E116 PolarHBondContact O-N 3.32Å; S114-S117 PolarHBondContact O-N 2.9Å; S114-S117 VanDerWaalsContact OG-CB 3.3Å; S114-S117 WeakPolarHBondContact OG-CB 3.31Å; S114-S117 PolarHBondContact OG-N 2.91Å; S114-S117 PolarHBondContact OG-OG 2.66Å; S114-K118 WeakPolarHBondContact O-CG 3.22Å; S114-K118 PolarHBondContact O-N 3.03Å; S114-K118 VanDerWaalsContact O-N 3.12Å
115G97Very high98Very high11 Ų1141.7 Ų41.711%0.11322%0.217CC..Hα-helixtrans-57.5-43.1171.800000111.7S117 K118 V119 D162G115-S117 PolarHBondContact O-N 3.13Å; G115-K118 PolarHBondContact O-N 3.14Å; G115-V119 VanDerWaalsContact O-CG2 3.26Å; G115-V119 WeakPolarHBondContact O-CG2 3.14Å; G115-V119 PolarHBondContact O-N 2.89Å; G115-D162 WeakPolarHBondContact CA-OD2 3.37Å
116E96.8Very high98Very high58 Ų5837.5 Ų37.527%0.27120%0.197SC..Hα-helixtrans-56.8-51.9177-166.4-171.4128.400112.8R42 S114 K118 V119 F120 L163 H167 I169R42-E116 IonicContact CZ-OE1 3.93Å; R42-E116 IonicContact NH1-OE1 3.1Å; R42-E116 PolarHBondContact NH1-OE1 3.05Å; R42-E116 IonicContact NH2-OE1 3.46Å; R42-E116 PolarHBondContact NH2-OE1 3.44Å; S114-E116 VanDerWaalsContact C-N 3.27Å; S114-E116 PolarHBondContact O-N 3.32Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.47Å; E116-V119 PolarHBondContact O-N 3.41Å; E116-F120 WeakPolarHBondContact O-CB 3.43Å; E116-F120 PolarHBondContact O-N 3.27Å; E116-L163 HydrophobicContact CB-CD2 4.11Å; E116-L163 HydrophobicContact CG-CD2 4.41Å; E116-H167 IonicContact OE2-NE2 2.74Å; E116-I169 HydrophobicContact CG-CD1 3.45Å; E116-I169 VanDerWaalsContact CG-CD1 3.45Å
117S97.7Very high98Very high8 Ų831.6 Ų31.66%0.05617%0.172CC..Hα-helixtrans-59.3-43.4177.7-690000111.4E36 S114 G115 F120 Y121E36-S117 PolarHBondContact OE1-OG 3.13Å; S114-S117 PolarHBondContact O-N 2.9Å; S114-S117 VanDerWaalsContact OG-CB 3.3Å; S114-S117 WeakPolarHBondContact OG-CB 3.31Å; S114-S117 PolarHBondContact OG-N 2.91Å; S114-S117 PolarHBondContact OG-OG 2.66Å; G115-S117 PolarHBondContact O-N 3.13Å; S117-F120 PolarHBondContact O-N 2.87Å; S117-Y121 WeakPolarHBondContact O-CD2 3.29Å; S117-Y121 PolarHBondContact O-N 2.91Å
118K98.4Very high98Very high72 Ų7229.9 Ų29.931%0.31316%0.164SC..Hα-helixtrans-63.5-49.7179.2-70.7169.9-174.5164.40111.5A112 T113 S114 G115 E116 F120 Y121 Y122 I158A112-K118 HydrophobicContact CB-CG 3.77Å; A112-K118 WeakPolarHBondContact O-CE 3.31Å; T113-K118 PolarHBondContact O-NZ 3.48Å; S114-K118 WeakPolarHBondContact O-CG 3.22Å; S114-K118 PolarHBondContact O-N 3.03Å; S114-K118 VanDerWaalsContact O-N 3.12Å; G115-K118 PolarHBondContact O-N 3.14Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.47Å; K118-F120 VanDerWaalsContact C-N 3.27Å; K118-F120 PolarHBondContact O-N 3.41Å; K118-Y121 PolarHBondContact O-N 2.82Å; K118-Y122 HydrophobicContact CB-CD2 4.47Å; K118-Y122 WeakPolarHBondContact O-CB 3.27Å; K118-Y122 VanDerWaalsContact O-CD2 3.25Å; K118-Y122 WeakPolarHBondContact O-CD2 3.49Å; K118-Y122 PolarHBondContact O-N 3.05Å; K118-I158 HydrophobicContact CB-CD1 3.93Å; K118-I158 HydrophobicContact CB-CG2 4.37Å; K118-I158 HydrophobicContact CD-CD1 4.4Å
119V98.6Very high98Very high0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-59-43.8178.3178.80000110G115 E116 Y121 K123 A155 I158 A159 L163 I169 L173G115-V119 VanDerWaalsContact O-CG2 3.26Å; G115-V119 WeakPolarHBondContact O-CG2 3.14Å; G115-V119 PolarHBondContact O-N 2.89Å; E116-V119 PolarHBondContact O-N 3.41Å; V119-Y121 PolarHBondContact O-N 3.39Å; V119-K123 WeakPolarHBondContact O-CB 3.07Å; V119-K123 PolarHBondContact O-N 2.93Å; V119-A155 HydrophobicContact CG1-CB 4.42Å; V119-I158 HydrophobicContact CG2-CB 3.83Å; V119-I158 HydrophobicContact CG2-CG2 3.61Å; V119-A159 HydrophobicContact CG1-CB 3.87Å; V119-A159 HydrophobicContact CG2-CB 3.78Å; V119-L163 HydrophobicContact CB-CD1 4Å; V119-L163 HydrophobicContact CG1-CD1 4.03Å; V119-L163 HydrophobicContact CG2-CD1 3.9Å; V119-L163 HydrophobicContact CG2-CG 4.49Å; V119-I169 HydrophobicContact CB-CG2 4.07Å; V119-I169 HydrophobicContact CG1-CG2 3.58Å; V119-L173 HydrophobicContact CG1-CD2 4.03Å
120F98.1Very high98Very high21 Ų2129 Ų299%0.09216%0.159CC..Hα-helixtrans-57.3-51.5177.7-169.4-83.5000112.2R42 E116 S117 K118 K123 M124 I169R42-F120 HydrophobicContact CG-CD1 3.6Å; R42-F120 HydrophobicContact CG-CD2 4.49Å; R42-F120 HydrophobicContact CG-CE1 3.43Å; R42-F120 VanDerWaalsContact CG-CE1 3.43Å; R42-F120 HydrophobicContact CG-CE2 4.34Å; R42-F120 HydrophobicContact CG-CG 4.15Å; R42-F120 HydrophobicContact CG-CZ 3.82Å; E116-F120 WeakPolarHBondContact O-CB 3.43Å; E116-F120 PolarHBondContact O-N 3.27Å; S117-F120 PolarHBondContact O-N 2.87Å; K118-F120 VanDerWaalsContact C-N 3.27Å; K118-F120 PolarHBondContact O-N 3.41Å; F120-K123 PolarHBondContact O-N 3.45Å; F120-M124 HydrophobicContact CE1-SD 4.46Å; F120-M124 WeakPolarHBondContact O-CB 3.39Å; F120-M124 PolarHBondContact O-N 3.29Å; F120-I169 HydrophobicContact CB-CD1 4.37Å; F120-I169 HydrophobicContact CD2-CD1 3.78Å; F120-I169 HydrophobicContact CD2-CG1 4.13Å
121Y98.6Very high98Very high2 Ų225 Ų251%0.00813%0.132CC..Hα-helixtrans-71.5-37.1-177.5-60.9-42.7000113.3R42 L104 L108 A112 S117 K118 V119 M124 K125R42-Y121 HydrophobicContact CG-CE1 3.93Å; L104-Y121 HydrophobicContact CD2-CD1 3.73Å; L104-Y121 HydrophobicContact CD2-CG 4.07Å; L108-Y121 HydrophobicContact CB-CD1 4.06Å; L108-Y121 HydrophobicContact CB-CD2 4.02Å; L108-Y121 HydrophobicContact CB-CE1 4.01Å; L108-Y121 HydrophobicContact CB-CE2 3.97Å; L108-Y121 HydrophobicContact CB-CG 4.09Å; L108-Y121 HydrophobicContact CD1-CD1 4.15Å; L108-Y121 HydrophobicContact CD1-CE1 3.88Å; L108-Y121 HydrophobicContact CG-CE1 4.41Å; A112-Y121 HydrophobicContact CB-CD2 3.79Å; A112-Y121 HydrophobicContact CB-CE2 3.88Å; S117-Y121 WeakPolarHBondContact O-CD2 3.29Å; S117-Y121 PolarHBondContact O-N 2.91Å; K118-Y121 PolarHBondContact O-N 2.82Å; V119-Y121 PolarHBondContact O-N 3.39Å; Y121-M124 PolarHBondContact O-N 3.11Å; Y121-K125 WeakPolarHBondContact O-CB 3.48Å; Y121-K125 PolarHBondContact O-N 2.88Å
122Y98.8Very high98.1Very high67 Ų6724.6 Ų24.626%0.26313%0.128SC..Hα-helixtrans-69.8-37.3174.6-81.8-69.8000112.2I109 K118 K125 G126 A154 I158I109-Y122 HydrophobicContact CD1-CD1 4.37Å; I109-Y122 HydrophobicContact CD1-CE1 4.25Å; I109-Y122 HydrophobicContact CG2-CE1 4.47Å; I109-Y122 HydrophobicContact CG2-CE2 4.08Å; K118-Y122 HydrophobicContact CB-CD2 4.47Å; K118-Y122 WeakPolarHBondContact O-CB 3.27Å; K118-Y122 VanDerWaalsContact O-CD2 3.25Å; K118-Y122 WeakPolarHBondContact O-CD2 3.49Å; K118-Y122 PolarHBondContact O-N 3.05Å; Y122-K125 PolarHBondContact O-N 3.38Å; Y122-G126 PolarHBondContact O-N 2.98Å; Y122-A154 HydrophobicContact CD1-CB 3.95Å; Y122-A154 HydrophobicContact CE1-CB 4.13Å; Y122-A154 HydrophobicContact CG-CB 4.25Å; Y122-I158 HydrophobicContact CD2-CD1 4.05Å; Y122-I158 HydrophobicContact CE2-CD1 4.14Å
123K98.4Very high98.1Very high22 Ų2224.1 Ų24.110%0.09613%0.125CC..Hα-helixtrans-58.1-52.2170.4179.4-168.9174.1-68.50110V119 F120 K125 G126 D127 G172 L173 N176V119-K123 WeakPolarHBondContact O-CB 3.07Å; V119-K123 PolarHBondContact O-N 2.93Å; F120-K123 PolarHBondContact O-N 3.45Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 2.84Å; K123-G126 CarbonylContact O-C 3.37Å; K123-G126 WeakPolarHBondContact O-CA 3.38Å; K123-G126 PolarHBondContact O-N 2.86Å; K123-D127 IonicContact NZ-OD1 2.69Å; K123-D127 IonicContact NZ-OD2 3.56Å; K123-D127 PolarHBondContact NZ-OD2 3.48Å; K123-D127 VanDerWaalsContact O-CG 3.25Å; K123-D127 PolarHBondContact O-N 3.1Å; K123-G172 WeakPolarHBondContact CE-O 3.35Å; K123-L173 HydrophobicContact CB-CD1 4.1Å; K123-L173 HydrophobicContact CD-CB 4.12Å; K123-L173 HydrophobicContact CG-CB 4.29Å; K123-L173 HydrophobicContact CG-CD1 4.06Å; K123-N176 PolarHBondContact NZ-ND2 2.81Å
124M98.2Very high98.1Very high10 Ų1021.1 Ų21.15%0.04910%0.104CC..Hα-helixtrans-57.8-43.7178.4-164.6179.2-166.900111.2I100 L104 F120 Y121 G126 D127 Y128I100-M124 HydrophobicContact CD1-CE 3.69Å; I100-M124 HydrophobicContact CD1-SD 4.06Å; I100-M124 HydrophobicContact CG1-CE 3.75Å; I100-M124 HydrophobicContact CG1-SD 4.22Å; L104-M124 HydrophobicContact CD1-CB 4.23Å; L104-M124 HydrophobicContact CD1-CG 4.12Å; L104-M124 HydrophobicContact CD1-SD 4.37Å; L104-M124 HydrophobicContact CD2-CB 4.42Å; L104-M124 HydrophobicContact CD2-SD 4.09Å; F120-M124 HydrophobicContact CE1-SD 4.46Å; F120-M124 WeakPolarHBondContact O-CB 3.39Å; F120-M124 PolarHBondContact O-N 3.29Å; Y121-M124 PolarHBondContact O-N 3.11Å; M124-G126 VanDerWaalsContact C-N 3.31Å; M124-G126 PolarHBondContact O-N 2.79Å; M124-D127 WeakPolarHBondContact O-CB 3.47Å; M124-D127 PolarHBondContact O-N 2.51Å; M124-Y128 HydrophobicContact CE-CE2 3.7Å; M124-Y128 HydrophobicContact CG-CD2 3.85Å; M124-Y128 HydrophobicContact CG-CE2 3.73Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.43Å; M124-Y128 PolarHBondContact O-N 3.07Å
125K98.7Very high98.1Very high33 Ų3319.5 Ų19.514%0.1439%0.091CC..Hα-helixtrans-57.3-43.9173.4-177.2174-174.5171.60111.9L101 L104 E105 I109 Y121 Y122 K123 H129 A151L101-K125 HydrophobicContact CD2-CB 4.45Å; L101-K125 HydrophobicContact CD2-CG 3.83Å; L104-K125 HydrophobicContact CD1-CB 4.16Å; E105-K125 VanDerWaalsContact OE1-CE 3.24Å; E105-K125 WeakPolarHBondContact OE1-CE 3.44Å; E105-K125 IonicContact OE1-NZ 3.41Å; E105-K125 PolarHBondContact OE1-NZ 2.91Å; I109-K125 HydrophobicContact CD1-CD 4.1Å; Y121-K125 WeakPolarHBondContact O-CB 3.48Å; Y121-K125 PolarHBondContact O-N 2.88Å; Y122-K125 PolarHBondContact O-N 3.38Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 2.84Å; K125-H129 PolarHBondContact O-CD2 3.17Å; K125-H129 VanDerWaalsContact O-CD2 3.23Å; K125-H129 PolarHBondContact O-N 2.89Å; K125-H129 VanDerWaalsContact O-N 3.13Å; K125-A151 HydrophobicContact CB-CB 4.04Å; K125-A151 HydrophobicContact CD-CB 4.17Å; K125-A151 HydrophobicContact CG-CB 3.86Å
126G98.8Very high98.1Very high0 Ų019.4 Ų19.40%09%0.089CC..Hα-helixtrans-59.4-45.4174.700000112.7Y122 K123 M124 H129 R130 S148 Y152Y122-G126 PolarHBondContact O-N 2.98Å; K123-G126 CarbonylContact O-C 3.37Å; K123-G126 WeakPolarHBondContact O-CA 3.38Å; K123-G126 PolarHBondContact O-N 2.86Å; M124-G126 VanDerWaalsContact C-N 3.31Å; M124-G126 PolarHBondContact O-N 2.79Å; G126-H129 PolarHBondContact O-N 3.44Å; G126-R130 WeakPolarHBondContact O-CB 3.37Å; G126-R130 PolarHBondContact O-N 2.88Å; G126-S148 PolarHBondContact O-OG 2.96Å; G126-Y152 VanDerWaalsContact C-CZ 3.43Å
127D98.5Very high98.1Very high7 Ų722 Ų224%0.03711%0.109CC..Hα-helixtrans-61-49.7179-62.3-30.9000111.7K123 M124 H129 R130 Y131 Y152 N176K123-D127 IonicContact NZ-OD1 2.69Å; K123-D127 IonicContact NZ-OD2 3.56Å; K123-D127 PolarHBondContact NZ-OD2 3.48Å; K123-D127 VanDerWaalsContact O-CG 3.25Å; K123-D127 PolarHBondContact O-N 3.1Å; M124-D127 WeakPolarHBondContact O-CB 3.47Å; M124-D127 PolarHBondContact O-N 2.51Å; D127-H129 PolarHBondContact O-N 2.89Å; D127-R130 WeakPolarHBondContact O-CA 3.45Å; D127-R130 VanDerWaalsContact O-CB 3.3Å; D127-R130 WeakPolarHBondContact O-CB 3.33Å; D127-R130 PolarHBondContact O-N 2.99Å; D127-R130 VanDerWaalsContact O-N 3.07Å; D127-Y131 WeakPolarHBondContact O-CD1 3.31Å; D127-Y131 WeakPolarHBondContact O-CD2 3.48Å; D127-Y131 VanDerWaalsContact O-CG 3.25Å; D127-Y131 PolarHBondContact O-N 3.37Å; D127-Y152 WeakPolarHBondContact CA-OH 3.32Å; D127-Y152 PolarHBondContact N-OH 2.68Å; D127-Y152 WeakPolarHBondContact OD1-CE1 3.44Å; D127-Y152 PolarHBondContact OD1-OH 3.05Å; D127-N176 VanDerWaalsContact OD1-CB 3.27Å; D127-N176 WeakPolarHBondContact OD1-CB 3.46Å; D127-N176 PolarHBondContact OD1-ND2 3.08Å; D127-N176 PolarHBondContact OD2-ND2 3.01Å; D127-N176 VanDerWaalsContact OD2-ND2 3.11Å
128Y98.6Very high98Very high6 Ų624.7 Ų24.72%0.02414%0.137CC..Hα-helixtrans-70-31.4-178.9-78.9-84.7000113.5Y49 I53 I96 C97 I100 M124 Y131 L132Y49-Y128 VanDerWaalsContact C-OH 3.23Å; Y49-Y128 VanDerWaalsContact CB-OH 3.29Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.47Å; Y49-Y128 PolarHBondContact O-OH 2.99Å; I53-Y128 HydrophobicContact CB-CE1 3.92Å; I53-Y128 HydrophobicContact CD1-CE1 4.15Å; I53-Y128 HydrophobicContact CG1-CD1 4.49Å; I53-Y128 HydrophobicContact CG1-CE1 3.88Å; I53-Y128 HydrophobicContact CG2-CE1 3.96Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.3Å; I96-Y128 HydrophobicContact CG2-CE1 4.47Å; C97-Y128 HydrophobicContact CB-CD1 4.23Å; I100-Y128 HydrophobicContact CG1-CD2 4.22Å; I100-Y128 HydrophobicContact CG1-CE2 4.15Å; I100-Y128 HydrophobicContact CG2-CD1 3.3Å; I100-Y128 HydrophobicContact CG2-CD2 3.71Å; I100-Y128 HydrophobicContact CG2-CE1 3.57Å; 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 3.73Å; M124-Y128 VanDerWaalsContact O-CD2 3.29Å; M124-Y128 WeakPolarHBondContact O-CD2 3.43Å; M124-Y128 PolarHBondContact O-N 3.07Å; Y128-Y131 AromaticContact CD1-CD2 3.63Å; Y128-Y131 HydrophobicContact CD1-CD2 3.63Å; Y128-Y131 AromaticContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD2-CE2 4.28Å; Y128-Y131 HydrophobicContact CE1-CD2 4.01Å; Y128-Y131 AromaticContact CE1-CE2 3.75Å; Y128-Y131 HydrophobicContact CE1-CE2 3.75Å; Y128-Y131 HydrophobicContact CE2-CE2 4.27Å; Y128-Y131 HydrophobicContact CG-CD2 4.05Å; Y128-Y131 HydrophobicContact CG-CE2 4.01Å; Y128-L132 WeakPolarHBondContact O-CG 3.36Å; Y128-L132 PolarHBondContact O-N 2.92Å
129H98.8Very high98Very high17 Ų1725 Ų258%0.07915%0.149CC..Hα-helixtrans-70.4-34.6168.3-80.2-64.1000112.8K125 G126 D127 Y131 L132 A133 N147K125-H129 PolarHBondContact O-CD2 3.17Å; K125-H129 VanDerWaalsContact O-CD2 3.23Å; K125-H129 PolarHBondContact O-N 2.89Å; K125-H129 VanDerWaalsContact O-N 3.13Å; G126-H129 PolarHBondContact O-N 3.44Å; D127-H129 PolarHBondContact O-N 2.89Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-L132 PolarHBondContact O-N 3.31Å; H129-A133 PolarHBondContact O-N 3.11Å; H129-N147 HydrophobicContact CB-CB 4.37Å
130R98.4Very high97.9Very high0 Ų028.5 Ų28.50%017%0.168CC..Hα-helixtrans-59.7-46.2172.9169.2176.767.198.8-2.1110.2G126 D127 L132 A133 E134 Y152 F180 I184 D253 E255G126-R130 WeakPolarHBondContact O-CB 3.37Å; G126-R130 PolarHBondContact O-N 2.88Å; D127-R130 WeakPolarHBondContact O-CA 3.45Å; D127-R130 VanDerWaalsContact O-CB 3.3Å; D127-R130 WeakPolarHBondContact O-CB 3.33Å; D127-R130 PolarHBondContact O-N 2.99Å; D127-R130 VanDerWaalsContact O-N 3.07Å; R130-L132 PolarHBondContact O-N 3.38Å; R130-A133 WeakPolarHBondContact O-CA 3.39Å; R130-A133 WeakPolarHBondContact O-CB 3.38Å; R130-A133 PolarHBondContact O-N 3Å; R130-E134 IonicContact NH1-OE1 3.81Å; R130-E134 PolarHBondContact O-N 3.36Å; R130-E134 VanDerWaalsContact O-N 3.14Å; R130-Y152 HydrophobicContact CB-CE2 4.49Å; R130-Y152 PolarHBondContact NE-OH 3.08Å; R130-F180 HydrophobicContact CB-CD2 4.21Å; R130-F180 HydrophobicContact CG-CD2 4.25Å; R130-I184 HydrophobicContact CG-CD1 4.38Å; R130-I184 HydrophobicContact CG-CG1 3.89Å; R130-D253 IonicContact CZ-OD2 3.86Å; R130-D253 IonicContact NH1-OD2 3.12Å; R130-D253 PolarHBondContact NH1-OD2 3.41Å; R130-D253 IonicContact NH2-OD2 3.65Å; R130-D253 PolarHBondContact NH2-OD2 2.93Å; R130-E255 IonicContact CZ-OE2 2.64Å; R130-E255 VanDerWaalsContact NH2-CD 3.25Å; R130-E255 IonicContact NH2-OE1 2.67Å; R130-E255 PolarHBondContact NH2-OE1 3.5Å; R130-E255 IonicContact NH2-OE2 3.44Å; R130-E255 PolarHBondContact NH2-OE2 2.71Å
131Y98.1Very high97.9Very high3 Ų332 Ų321%0.01218%0.18CC..Hα-helixtrans-61-42.7176.7-51.3-31.2000113I53 D127 Y128 H129 A133 E134 F135 E255I53-Y131 HydrophobicContact CD1-CD2 4.44Å; I53-Y131 HydrophobicContact CG1-CD2 3.81Å; I53-Y131 HydrophobicContact CG1-CE2 3.96Å; I53-Y131 HydrophobicContact CG2-CE2 3.97Å; D127-Y131 WeakPolarHBondContact O-CD1 3.31Å; D127-Y131 WeakPolarHBondContact O-CD2 3.48Å; D127-Y131 VanDerWaalsContact O-CG 3.25Å; D127-Y131 PolarHBondContact O-N 3.37Å; Y128-Y131 AromaticContact CD1-CD2 3.63Å; Y128-Y131 HydrophobicContact CD1-CD2 3.63Å; Y128-Y131 AromaticContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD1-CE2 3.72Å; Y128-Y131 HydrophobicContact CD2-CE2 4.28Å; Y128-Y131 HydrophobicContact CE1-CD2 4.01Å; Y128-Y131 AromaticContact CE1-CE2 3.75Å; Y128-Y131 HydrophobicContact CE1-CE2 3.75Å; Y128-Y131 HydrophobicContact CE2-CE2 4.27Å; Y128-Y131 HydrophobicContact CG-CD2 4.05Å; Y128-Y131 HydrophobicContact CG-CE2 4.01Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-A133 PolarHBondContact O-N 2.86Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.3Å; Y131-E134 WeakPolarHBondContact O-CB 3.09Å; Y131-E134 PolarHBondContact O-N 3.44Å; Y131-F135 WeakPolarHBondContact O-CD1 3.25Å; Y131-F135 WeakPolarHBondContact O-CE1 3.41Å; Y131-E255 WeakPolarHBondContact CE1-OE2 2.85Å; Y131-E255 WeakPolarHBondContact OH-CG 3.48Å; Y131-E255 PolarHBondContact OH-OE1 3.05Å; Y131-E255 PolarHBondContact OH-OE2 3.16Å
132L98.5Very high97.9Very high22 Ų2238 Ų3812%0.11521%0.206CC..Hα-helixtrans-56.1-39.8173.9-73.3173.4000110.8R94 C97 L101 Y128 H129 R130 E134 F135 A136 A144R94-L132 HydrophobicContact CB-CD2 4.38Å; R94-L132 HydrophobicContact CG-CD2 4.07Å; 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 3.76Å; Y128-L132 WeakPolarHBondContact O-CG 3.36Å; Y128-L132 PolarHBondContact O-N 2.92Å; H129-L132 PolarHBondContact O-N 3.31Å; R130-L132 PolarHBondContact O-N 3.38Å; L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.46Å; L132-F135 HydrophobicContact CD2-CE1 4.34Å; L132-F135 HydrophobicContact CD2-CZ 3.77Å; L132-A136 WeakPolarHBondContact O-CB 3.45Å; L132-A136 PolarHBondContact O-N 3.38Å; L132-A144 HydrophobicContact CB-CB 3.83Å
133A98.4Very high97.9Very high0 Ų038.6 Ų38.60%021%0.214CC..Hα-helixtrans-71.2-18.9178.400000114.3H129 R130 Y131 A144 A145 I184H129-A133 PolarHBondContact O-N 3.11Å; R130-A133 WeakPolarHBondContact O-CA 3.39Å; R130-A133 WeakPolarHBondContact O-CB 3.38Å; R130-A133 PolarHBondContact O-N 3Å; Y131-A133 PolarHBondContact O-N 2.86Å; A133-A144 HydrophobicContact CB-CB 3.86Å; A133-A145 HydrophobicContact CB-CB 4.41Å; A133-I184 HydrophobicContact CB-CD1 4.14Å; A133-I184 HydrophobicContact CB-CG1 4.44Å; A133-I184 HydrophobicContact CB-CG2 3.74Å
134E96.6Very high97.9Very high38 Ų3837.9 Ų37.918%0.17821%0.212CC..Hα-helixtrans-64.4-40.9177.4-68.3173.5-162.600111.8R57 W60 R130 Y131 L132 I184R57-E134 IonicContact CZ-OE1 2.88Å; R57-E134 IonicContact CZ-OE2 3.87Å; R57-E134 IonicContact NE-OE1 3.57Å; R57-E134 PolarHBondContact NE-OE1 2.91Å; R57-E134 IonicContact NE-OE2 3.76Å; R57-E134 PolarHBondContact NE-OE2 2.82Å; R57-E134 IonicContact NH2-OE1 3.74Å; R57-E134 PolarHBondContact NH2-OE1 2.87Å; R57-E134 IonicContact NH2-OE2 3.99Å; W60-E134 HydrophobicContact CH2-CB 4.19Å; W60-E134 WeakPolarHBondContact CH2-O 3.24Å; W60-E134 HydrophobicContact CZ3-CB 4.18Å; R130-E134 IonicContact NH1-OE1 3.81Å; R130-E134 PolarHBondContact O-N 3.36Å; R130-E134 VanDerWaalsContact O-N 3.14Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.3Å; Y131-E134 WeakPolarHBondContact O-CB 3.09Å; Y131-E134 PolarHBondContact O-N 3.44Å; L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.46Å; E134-I184 HydrophobicContact CG-CD1 4.07Å
135F96Very high97.9Very high12 Ų1237.7 Ų37.75%0.05321%0.213CC..Hα-helixtrans-114.9-14-174.365.3-92000114.2W60 E90 L93 R94 Y131 L132W60-F135 HydrophobicContact CD2-CB 4.38Å; W60-F135 HydrophobicContact CH2-CB 4.17Å; W60-F135 HydrophobicContact CZ2-CB 3.43Å; W60-F135 VanDerWaalsContact CZ2-CB 3.43Å; E90-F135 HydrophobicContact CB-CD2 3.85Å; E90-F135 HydrophobicContact CB-CE2 4.16Å; E90-F135 HydrophobicContact CG-CB 4.07Å; E90-F135 HydrophobicContact CG-CD2 3.82Å; E90-F135 HydrophobicContact CG-CG 4.14Å; E90-F135 WeakPolarHBondContact O-CE2 3.02Å; L93-F135 HydrophobicContact CB-CD1 4.44Å; L93-F135 HydrophobicContact CB-CE1 3.68Å; L93-F135 HydrophobicContact CB-CZ 3.72Å; L93-F135 HydrophobicContact CD1-CD1 4.01Å; L93-F135 HydrophobicContact CD1-CE1 4.05Å; L93-F135 HydrophobicContact CG-CE1 4.43Å; R94-F135 HydrophobicContact CB-CE2 4.28Å; R94-F135 HydrophobicContact CB-CZ 4.17Å; Y131-F135 WeakPolarHBondContact O-CD1 3.25Å; Y131-F135 WeakPolarHBondContact O-CE1 3.41Å; L132-F135 HydrophobicContact CD2-CE1 4.34Å; L132-F135 HydrophobicContact CD2-CZ 3.77Å
136A97.6Very high97.9Very high9 Ų940.6 Ų40.67%0.07423%0.226CC..  trans-67.7157174.700000112.1L132 D140 R141L132-A136 WeakPolarHBondContact O-CB 3.45Å; L132-A136 PolarHBondContact O-N 3.38Å; A136-D140 HydrophobicContact CB-CB 3.94Å; A136-R141 HydrophobicContact CB-CB 4.06Å; A136-R141 WeakPolarHBondContact O-CB 3.31Å
137T95.9Very high97.9Very high114 Ų11443.5 Ų43.570%0.69924%0.242SC*.  trans-128.9158.3178.464.20000111.2S139 D140 R141T137-S139 PolarHBondContact O-N 3.3Å; T137-D140 PolarHBondContact O-N 2.84Å; T137-R141 PolarHBondContact O-N 3.15Å
138G96.2Very high97.9Very high63 Ų6343.1 Ų43.165%0.64924%0.24SC*.Hα-helixtrans61.2-132.3173.300000113.5R141 K142G138-R141 PolarHBondContact O-N 3.38Å; G138-K142 PolarHBondContact O-N 2.93Å
139S97.7Very high97.9Very high80 Ų8044.7 Ų44.756%0.55925%0.249SC*.Hα-helixtrans-61.8-43.1179.248.90000112.4T137 R141 K142 D143T137-S139 PolarHBondContact O-N 3.3Å; S139-R141 PolarHBondContact O-N 3.12Å; S139-K142 WeakPolarHBondContact O-CA 3.26Å; S139-K142 WeakPolarHBondContact O-CB 3.45Å; S139-K142 PolarHBondContact O-N 3.18Å; S139-D143 PolarHBondContact O-N 2.76Å
140D97.4Very high97.9Very high73 Ų7349.1 Ų49.139%0.3927%0.272SS..Hα-helixtrans-58.3-40.2-178.9-70.414.5000111.4R94 A136 T137 A144R94-D140 IonicContact NH1-OD2 3.51Å; R94-D140 PolarHBondContact NH1-OD2 3.47Å; A136-D140 HydrophobicContact CB-CB 3.94Å; T137-D140 PolarHBondContact O-N 2.84Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.37Å; D140-A144 PolarHBondContact O-N 3.03Å
141R98.2Very high98Very high94 Ų9449.2 Ų49.236%0.35527%0.273SS..Hα-helixtrans-64.1-43.2176.7-168.8-176.4173-77.70.3111.5A136 T137 G138 S139 A145 I184A136-R141 HydrophobicContact CB-CB 4.06Å; A136-R141 WeakPolarHBondContact O-CB 3.31Å; T137-R141 PolarHBondContact O-N 3.15Å; G138-R141 PolarHBondContact O-N 3.38Å; S139-R141 PolarHBondContact O-N 3.12Å; R141-A145 WeakPolarHBondContact O-CB 3.48Å; R141-A145 PolarHBondContact O-N 3.12Å; R141-I184 PolarHBondContact NH2-O 2.97Å
142K98.3Very high98Very high127 Ų12749.1 Ų49.155%0.55227%0.272SS*.Hα-helixtrans-64.3-47.3179.9-177.3-179.5169.3-175.20110.4G138 S139 A144 A145 E146G138-K142 PolarHBondContact O-N 2.93Å; S139-K142 WeakPolarHBondContact O-CA 3.26Å; S139-K142 WeakPolarHBondContact O-CB 3.45Å; S139-K142 PolarHBondContact O-N 3.18Å; K142-A144 PolarHBondContact O-N 3.39Å; K142-A145 PolarHBondContact O-N 3.08Å; K142-E146 WeakPolarHBondContact CE-OE1 3.2Å; K142-E146 HydrophobicContact CG-CG 4.5Å; K142-E146 IonicContact NZ-OE1 3.85Å; K142-E146 WeakPolarHBondContact O-CB 3.38Å; K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 3.38Å
143D98.4Very high98Very high80 Ų8052.9 Ų52.943%0.42829%0.288SS..Hα-helixtrans-63.4-42.7179.6-65-11.1000111S139 E146 N147S139-D143 PolarHBondContact O-N 2.76Å; D143-E146 PolarHBondContact O-N 3.28Å; D143-N147 WeakPolarHBondContact O-CB 3.45Å; D143-N147 PolarHBondContact O-N 2.96Å; D143-N147 PolarHBondContact O-ND2 3.48Å
144A98.6Very high98Very high7 Ų754.2 Ų54.26%0.05830%0.299CS..Hα-helixtrans-61.7-46.1174.900000112L132 A133 D140 K142 E146 N147 S148L132-A144 HydrophobicContact CB-CB 3.83Å; A133-A144 HydrophobicContact CB-CB 3.86Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.37Å; D140-A144 PolarHBondContact O-N 3.03Å; K142-A144 PolarHBondContact O-N 3.39Å; A144-E146 PolarHBondContact O-N 2.97Å; A144-N147 PolarHBondContact O-N 3.49Å; A144-S148 WeakPolarHBondContact O-CB 3.26Å; A144-S148 PolarHBondContact O-N 3.28Å
145A98.7Very high98.1Very high7 Ų752.4 Ų52.46%0.05829%0.29CS..Hα-helixtrans-63.9-40.6177.800000112.5A133 R141 K142 S148 L149 F180 I184 L185A133-A145 HydrophobicContact CB-CB 4.41Å; R141-A145 WeakPolarHBondContact O-CB 3.48Å; R141-A145 PolarHBondContact O-N 3.12Å; K142-A145 PolarHBondContact O-N 3.08Å; A145-S148 PolarHBondContact O-N 2.99Å; A145-L149 WeakPolarHBondContact O-CB 3.4Å; A145-L149 PolarHBondContact O-N 3.26Å; A145-F180 HydrophobicContact CB-CE2 4.44Å; A145-F180 WeakPolarHBondContact O-CZ 3.18Å; A145-I184 HydrophobicContact CB-CG2 3.74Å; A145-L185 HydrophobicContact CB-CD2 4.46Å
146E98.7Very high98.2Very high93 Ų9352.7 Ų52.744%0.43529%0.293SS..Hα-helixtrans-64.7-46176.8-75.1179.2-176.100111.6K142 D143 A144 S148 L149 I150K142-E146 WeakPolarHBondContact CE-OE1 3.2Å; K142-E146 HydrophobicContact CG-CG 4.5Å; K142-E146 IonicContact NZ-OE1 3.85Å; K142-E146 WeakPolarHBondContact O-CB 3.38Å; K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 3.38Å; D143-E146 PolarHBondContact O-N 3.28Å; A144-E146 PolarHBondContact O-N 2.97Å; E146-S148 PolarHBondContact O-N 2.94Å; E146-L149 PolarHBondContact O-N 3Å; E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.41Å; E146-I150 PolarHBondContact O-N 3.16Å
147N98.7Very high98.3Very high61 Ų6157 Ų5733%0.32632%0.315SS..Hα-helixtrans-65.1-38.9177-78.2-70.6000112.5H129 D143 A144 I150 A151H129-N147 HydrophobicContact CB-CB 4.37Å; D143-N147 WeakPolarHBondContact O-CB 3.45Å; D143-N147 PolarHBondContact O-N 2.96Å; D143-N147 PolarHBondContact O-ND2 3.48Å; A144-N147 PolarHBondContact O-N 3.49Å; N147-I150 PolarHBondContact O-N 3.29Å; N147-A151 WeakPolarHBondContact O-CB 3.31Å; N147-A151 PolarHBondContact O-N 3.48Å
148S98.8Very high98.4Very high0 Ų053.3 Ų53.30%029%0.291CS..Hα-helixtrans-60.2-48.5174-175.50000111.1G126 A144 A145 E146 I150 A151 Y152 F180G126-S148 PolarHBondContact O-OG 2.96Å; A144-S148 WeakPolarHBondContact O-CB 3.26Å; A144-S148 PolarHBondContact O-N 3.28Å; A145-S148 PolarHBondContact O-N 2.99Å; E146-S148 PolarHBondContact O-N 2.94Å; S148-I150 PolarHBondContact O-N 3.23Å; S148-A151 PolarHBondContact O-N 3.34Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.49Å; S148-Y152 PolarHBondContact O-N 3.15Å; S148-Y152 WeakPolarHBondContact OG-CD2 3.47Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.39Å; S148-F180 WeakPolarHBondContact OG-CD2 3.2Å; S148-F180 WeakPolarHBondContact OG-CE2 3.34Å
149L98.7Very high98.5Very high38 Ų3850.4 Ų50.420%0.19926%0.261CS..Hα-helixtrans-60.4-42.4177.2179.162.6000112.6A145 E146 K153 F177 F180 Y181A145-L149 WeakPolarHBondContact O-CB 3.4Å; A145-L149 PolarHBondContact O-N 3.26Å; E146-L149 PolarHBondContact O-N 3Å; L149-K153 HydrophobicContact CD1-CD 4.18Å; L149-K153 HydrophobicContact CD1-CG 4.3Å; L149-K153 HydrophobicContact CG-CD 4.25Å; L149-K153 WeakPolarHBondContact O-CB 3.21Å; L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 3.1Å; L149-K153 PolarHBondContact O-N 3.37Å; L149-F177 HydrophobicContact CD1-CE2 3.8Å; L149-F177 HydrophobicContact CD1-CZ 3.82Å; L149-F180 HydrophobicContact CB-CE1 3.95Å; L149-F180 HydrophobicContact CB-CZ 3.94Å; L149-F180 HydrophobicContact CD1-CE1 4.02Å; L149-Y181 HydrophobicContact CD1-CE1 4.35Å
150I98.8Very high98.5Very high111 Ų11152.4 Ų52.457%0.56926%0.263SS*.Hα-helixtrans-62-47.3177.2-71164.6000110.2E146 N147 S148 K153 A154E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.41Å; E146-I150 PolarHBondContact O-N 3.16Å; N147-I150 PolarHBondContact O-N 3.29Å; S148-I150 PolarHBondContact O-N 3.23Å; I150-K153 PolarHBondContact O-N 2.91Å; I150-A154 WeakPolarHBondContact O-CB 3.26Å; I150-A154 PolarHBondContact O-N 3.45Å
151A98.8Very high98.4Very high2 Ų255.3 Ų55.32%0.01728%0.279CS..Hα-helixtrans-64.9-45.1-178.800000112.2K125 N147 S148 K153 A154 A155K125-A151 HydrophobicContact CB-CB 4.04Å; K125-A151 HydrophobicContact CD-CB 4.17Å; K125-A151 HydrophobicContact CG-CB 3.86Å; N147-A151 WeakPolarHBondContact O-CB 3.31Å; N147-A151 PolarHBondContact O-N 3.48Å; S148-A151 PolarHBondContact O-N 3.34Å; A151-K153 PolarHBondContact O-N 3.44Å; A151-A154 PolarHBondContact O-N 3.31Å; A151-A155 WeakPolarHBondContact O-CB 3.25Å; A151-A155 PolarHBondContact O-N 3.02Å
152Y98.8Very high98.4Very high0 Ų055.1 Ų55.10%028%0.284CS..Hα-helixtrans-65.1-37.1177.2-74.4-48.7000113.4G126 D127 R130 S148 A155 S156 L173 N176 F177 F180G126-Y152 VanDerWaalsContact C-CZ 3.43Å; D127-Y152 WeakPolarHBondContact CA-OH 3.32Å; D127-Y152 PolarHBondContact N-OH 2.68Å; D127-Y152 WeakPolarHBondContact OD1-CE1 3.44Å; D127-Y152 PolarHBondContact OD1-OH 3.05Å; R130-Y152 HydrophobicContact CB-CE2 4.49Å; R130-Y152 PolarHBondContact NE-OH 3.08Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.49Å; S148-Y152 PolarHBondContact O-N 3.15Å; S148-Y152 WeakPolarHBondContact OG-CD2 3.47Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.39Å; Y152-A155 PolarHBondContact O-N 3.45Å; Y152-S156 WeakPolarHBondContact O-CB 3.35Å; Y152-S156 PolarHBondContact O-N 2.94Å; Y152-S156 PolarHBondContact O-OG 2.98Å; Y152-L173 HydrophobicContact CD1-CD1 3.63Å; Y152-L173 HydrophobicContact CE1-CD1 4.33Å; Y152-N176 HydrophobicContact CE1-CB 4.28Å; Y152-F177 VanDerWaalsContact CB-CD2 3.46Å; Y152-F177 HydrophobicContact CD1-CB 4.06Å; Y152-F177 HydrophobicContact CD1-CG 4.32Å; Y152-F177 HydrophobicContact CD2-CB 4.34Å; Y152-F177 AromaticContact CD2-CD2 3.46Å; Y152-F177 HydrophobicContact CD2-CD2 3.46Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.46Å; 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 4.47Å; Y152-F177 HydrophobicContact CE2-CD2 4.28Å; Y152-F177 HydrophobicContact CG-CB 3.98Å; Y152-F177 HydrophobicContact CG-CD1 4.39Å; Y152-F177 AromaticContact CG-CD2 3.59Å; Y152-F177 HydrophobicContact CG-CD2 3.59Å; 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 4.18Å; Y152-F180 HydrophobicContact CD2-CD1 4.19Å; Y152-F180 HydrophobicContact CD2-CG 4.06Å; Y152-F180 HydrophobicContact CE2-CB 3.63Å; Y152-F180 HydrophobicContact CE2-CD1 4.4Å; Y152-F180 HydrophobicContact CE2-CD2 4.17Å; Y152-F180 AromaticContact CE2-CG 3.81Å; Y152-F180 HydrophobicContact CE2-CG 3.81Å
153K98.7Very high98.3Very high102 Ų10249.7 Ų49.744%0.44326%0.261SS..Hα-helixtrans-64.1-47.1173.5-78.3177.7171176.80111.7L149 I150 A151 A155 S156 D157 F177L149-K153 HydrophobicContact CD1-CD 4.18Å; L149-K153 HydrophobicContact CD1-CG 4.3Å; L149-K153 HydrophobicContact CG-CD 4.25Å; L149-K153 WeakPolarHBondContact O-CB 3.21Å; L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 3.1Å; L149-K153 PolarHBondContact O-N 3.37Å; I150-K153 PolarHBondContact O-N 2.91Å; A151-K153 PolarHBondContact O-N 3.44Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 2.91Å; K153-S156 PolarHBondContact O-N 3.31Å; K153-D157 VanDerWaalsContact O-CG 3.31Å; K153-D157 PolarHBondContact O-N 3.46Å; K153-F177 HydrophobicContact CG-CE1 4.48Å; K153-F177 HydrophobicContact CG-CZ 4.12Å
154A98.5Very high98.2Very high28 Ų2848.9 Ų48.923%0.23126%0.26CS..Hα-helixtrans-58.6-42.617600000111.9Y122 I150 A151 S156 I158Y122-A154 HydrophobicContact CD1-CB 3.95Å; Y122-A154 HydrophobicContact CE1-CB 4.13Å; Y122-A154 HydrophobicContact CG-CB 4.25Å; I150-A154 WeakPolarHBondContact O-CB 3.26Å; I150-A154 PolarHBondContact O-N 3.45Å; A151-A154 PolarHBondContact O-N 3.31Å; A154-S156 VanDerWaalsContact C-N 3.34Å; A154-I158 VanDerWaalsContact O-CG1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.41Å; A154-I158 PolarHBondContact O-N 3.06Å
155A98.7Very high98.1Very high0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-61.7-42.4173.800000111.9V119 A151 Y152 K153 I158 A159 L173V119-A155 HydrophobicContact CG1-CB 4.42Å; A151-A155 WeakPolarHBondContact O-CB 3.25Å; A151-A155 PolarHBondContact O-N 3.02Å; Y152-A155 PolarHBondContact O-N 3.45Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 2.91Å; A155-I158 PolarHBondContact O-N 3.19Å; A155-A159 VanDerWaalsContact O-CB 3.22Å; A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.18Å; A155-L173 VanDerWaalsContact C-CD2 3.48Å; A155-L173 HydrophobicContact CB-CD1 3.67Å; A155-L173 HydrophobicContact CB-CD2 3.62Å; A155-L173 HydrophobicContact CB-CG 4.31Å
156S98.6Very high98Very high17 Ų1749.3 Ų49.312%0.11926%0.262CS..Hα-helixtrans-66.7-43.8-177.4-59.80000111.6Y152 K153 A154 I158 A159 M160Y152-S156 WeakPolarHBondContact O-CB 3.35Å; Y152-S156 PolarHBondContact O-N 2.94Å; Y152-S156 PolarHBondContact O-OG 2.98Å; K153-S156 PolarHBondContact O-N 3.31Å; A154-S156 VanDerWaalsContact C-N 3.34Å; S156-I158 VanDerWaalsContact C-N 3.31Å; S156-I158 PolarHBondContact O-N 3.34Å; S156-A159 PolarHBondContact O-N 3.04Å; S156-M160 VanDerWaalsContact O-CG 3.29Å; S156-M160 WeakPolarHBondContact O-CG 3.32Å; S156-M160 PolarHBondContact O-N 2.73Å
157D98.3Very high97.8Very high100 Ų10046.6 Ų46.654%0.53525%0.249SC..Hα-helixtrans-61.9-39.5179.1-67.7-19.3000111.5K153 N161K153-D157 VanDerWaalsContact O-CG 3.31Å; K153-D157 PolarHBondContact O-N 3.46Å; D157-N161 PolarHBondContact O-ND2 2.92Å
158I98.5Very high97.6Very high37 Ų3744.3 Ų44.319%0.1924%0.238CC..Hα-helixtrans-71.8-46.1175.6-59.7167.9000110.1K118 V119 Y122 A154 A155 S156 M160 N161 D162K118-I158 HydrophobicContact CB-CD1 3.93Å; K118-I158 HydrophobicContact CB-CG2 4.37Å; K118-I158 HydrophobicContact CD-CD1 4.4Å; V119-I158 HydrophobicContact CG2-CB 3.83Å; V119-I158 HydrophobicContact CG2-CG2 3.61Å; Y122-I158 HydrophobicContact CD2-CD1 4.05Å; Y122-I158 HydrophobicContact CE2-CD1 4.14Å; A154-I158 VanDerWaalsContact O-CG1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.41Å; A154-I158 PolarHBondContact O-N 3.06Å; A155-I158 PolarHBondContact O-N 3.19Å; S156-I158 VanDerWaalsContact C-N 3.31Å; S156-I158 PolarHBondContact O-N 3.34Å; I158-M160 VanDerWaalsContact C-N 3.28Å; I158-M160 PolarHBondContact O-N 3.04Å; I158-N161 PolarHBondContact O-N 3.45Å; I158-N161 VanDerWaalsContact O-N 3.08Å; I158-D162 HydrophobicContact CG2-CB 4.35Å; I158-D162 WeakPolarHBondContact O-CB 3.14Å; I158-D162 PolarHBondContact O-N 2.53Å
159A98.4Very high97.5Very high2 Ų245 Ų452%0.01724%0.241CC..Hα-helixtrans-61.6-35-177.600000113V119 A155 S156 N161 L163 R170 L173V119-A159 HydrophobicContact CG1-CB 3.87Å; V119-A159 HydrophobicContact CG2-CB 3.78Å; A155-A159 VanDerWaalsContact O-CB 3.22Å; A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.18Å; S156-A159 PolarHBondContact O-N 3.04Å; A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.41Å; A159-L163 HydrophobicContact CB-CD1 4.34Å; A159-L163 PolarHBondContact O-N 3.32Å; A159-L163 VanDerWaalsContact O-N 3.12Å; A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.1Å; A159-L173 HydrophobicContact CB-CD2 4.01Å
160M97.1Very high97.5Very high121 Ų12145.4 Ų45.460%0.59624%0.24SC*.Hα-helixtrans-64-30.8176.7-75.8179.3-172.400113.1S156 I158S156-M160 VanDerWaalsContact O-CG 3.29Å; S156-M160 WeakPolarHBondContact O-CG 3.32Å; S156-M160 PolarHBondContact O-N 2.73Å; I158-M160 VanDerWaalsContact C-N 3.28Å; I158-M160 PolarHBondContact O-N 3.04Å
161N96.7Very high97.4Very high135 Ų13540.2 Ų40.272%0.72221%0.213SC*.Hα-helixtrans-93.7-36.5-177.9-68-58.2000112.7D157 I158 A159D157-N161 PolarHBondContact O-ND2 2.92Å; I158-N161 PolarHBondContact O-N 3.45Å; I158-N161 VanDerWaalsContact O-N 3.08Å; A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.41Å
162D97.8Very high97.4Very high89 Ų8940.2 Ų40.248%0.47621%0.214SC..Hα-helixtrans-106.5-17.9-165.5-67.98.1000113.5G115 I158G115-D162 WeakPolarHBondContact CA-OD2 3.37Å; I158-D162 HydrophobicContact CG2-CB 4.35Å; I158-D162 WeakPolarHBondContact O-CB 3.14Å; I158-D162 PolarHBondContact O-N 2.53Å
163L96.6Very high97.4Very high13 Ų1340.4 Ų40.47%0.06822%0.215CC..SBendtrans-124.4135-175.3-57-179.2000111.8E116 V119 A159 H167 I169 R170E116-L163 HydrophobicContact CB-CD2 4.11Å; E116-L163 HydrophobicContact CG-CD2 4.41Å; V119-L163 HydrophobicContact CB-CD1 4Å; V119-L163 HydrophobicContact CG1-CD1 4.03Å; V119-L163 HydrophobicContact CG2-CD1 3.9Å; V119-L163 HydrophobicContact CG2-CG 4.49Å; A159-L163 HydrophobicContact CB-CD1 4.34Å; A159-L163 PolarHBondContact O-N 3.32Å; A159-L163 VanDerWaalsContact O-N 3.12Å; L163-H167 HydrophobicContact CB-CB 4.03Å; L163-I169 HydrophobicContact CD1-CB 4.32Å; L163-I169 HydrophobicContact CD1-CG2 4.15Å; L163-R170 HydrophobicContact CB-CB 4.19Å; L163-R170 HydrophobicContact CD1-CB 4.26Å; L163-R170 PolarHBondContact O-NH1 3.24Å
164P95.8Very high97.4Very high63 Ų6336 Ų3641%0.40920%0.197SC..  trans-63.6152.8174.626.5-32.5000111T166 H167 R170P164-T166 PolarHBondContact O-N 3.23Å; P164-H167 HydrophobicContact CG-CB 4.02Å; P164-H167 WeakPolarHBondContact O-CB 3.49Å; P164-H167 PolarHBondContact O-N 3.04Å; P164-R170 WeakPolarHBondContact O-CD 3.4Å
165P96.8Very high97.4Very high18 Ų1834.6 Ų34.612%0.11719%0.186CC..THydrogen-bonded Turntrans-52.1-30.3178.6-27.935.2000114.8H167 D201 E205P165-H167 VanDerWaalsContact C-N 3.34Å; P165-D201 HydrophobicContact CB-CB 3.91Å; P165-D201 HydrophobicContact CG-CB 4.42Å; P165-E205 WeakPolarHBondContact CD-OE2 3.35Å
166T95.8Very high97.3Very high6 Ų634.6 Ų34.64%0.03719%0.186CC..THydrogen-bonded Turntrans-84.3-3.7-18054.80000114P164 A202 E205 L209 S217P164-T166 PolarHBondContact O-N 3.23Å; T166-A202 HydrophobicContact CG2-CB 4.4Å; T166-A202 WeakPolarHBondContact CG2-O 3.25Å; T166-E205 HydrophobicContact CG2-CB 3.77Å; T166-L209 HydrophobicContact CG2-CD1 4.14Å; T166-L209 HydrophobicContact CG2-CG 4.11Å; T166-S217 WeakPolarHBondContact O-CB 3.34Å; T166-S217 PolarHBondContact O-OG 3.48Å
167H95Very high97.3Very high36 Ų3634.1 Ų34.117%0.16718%0.182CC..  trans-66.3130.2-177.8-165.5-70.5000111.4E116 L163 P164 P165 I169 R170 L171E116-H167 IonicContact OE2-NE2 2.74Å; L163-H167 HydrophobicContact CB-CB 4.03Å; P164-H167 HydrophobicContact CG-CB 4.02Å; P164-H167 WeakPolarHBondContact O-CB 3.49Å; P164-H167 PolarHBondContact O-N 3.04Å; P165-H167 VanDerWaalsContact C-N 3.34Å; H167-I169 VanDerWaalsContact C-N 3.35Å; H167-I169 PolarHBondContact ND1-N 2.92Å; H167-I169 VanDerWaalsContact ND1-N 3.18Å; H167-I169 PolarHBondContact O-N 3.46Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 3Å; H167-L171 PolarHBondContact O-N 2.73Å
168P95.4Very high97.3Very high12 Ų1229.4 Ų29.48%0.07816%0.156CC..Hα-helixtrans-52.8-46.5-177.9-27.432.2000113.7R170 L171 G172 D216 S217 I220P168-R170 VanDerWaalsContact C-N 3.35Å; P168-R170 PolarHBondContact O-N 3.43Å; P168-L171 PolarHBondContact O-N 3.44Å; P168-G172 PolarHBondContact O-N 2.93Å; P168-D216 HydrophobicContact CB-CB 4.1Å; P168-D216 HydrophobicContact CG-CB 4.01Å; P168-S217 WeakPolarHBondContact CD-OG 3.48Å; P168-S217 WeakPolarHBondContact CG-OG 3.4Å; P168-I220 HydrophobicContact CB-CD1 4Å; P168-I220 WeakPolarHBondContact O-CD1 3.44Å
169I96.2Very high97.3Very high15 Ų1527.7 Ų27.78%0.07715%0.148CC..Hα-helixtrans-60.3-39.2177.1-66.3171.4000112.9E116 V119 F120 L163 H167 L173E116-I169 HydrophobicContact CG-CD1 3.45Å; E116-I169 VanDerWaalsContact CG-CD1 3.45Å; V119-I169 HydrophobicContact CB-CG2 4.07Å; V119-I169 HydrophobicContact CG1-CG2 3.58Å; F120-I169 HydrophobicContact CB-CD1 4.37Å; F120-I169 HydrophobicContact CD2-CD1 3.78Å; F120-I169 HydrophobicContact CD2-CG1 4.13Å; L163-I169 HydrophobicContact CD1-CB 4.32Å; L163-I169 HydrophobicContact CD1-CG2 4.15Å; H167-I169 VanDerWaalsContact C-N 3.35Å; H167-I169 PolarHBondContact ND1-N 2.92Å; H167-I169 VanDerWaalsContact ND1-N 3.18Å; H167-I169 PolarHBondContact O-N 3.46Å; I169-L173 WeakPolarHBondContact O-CB 3.48Å; I169-L173 PolarHBondContact O-N 3.33Å
170R97.6Very high97.3Very high47 Ų4727.6 Ų27.618%0.17715%0.147CC..Hα-helixtrans-69.9-43.2178.4177.9173.2170.1174.3-6.3111.2A159 L163 P164 H167 P168 L173 A174A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.1Å; L163-R170 HydrophobicContact CB-CB 4.19Å; L163-R170 HydrophobicContact CD1-CB 4.26Å; L163-R170 PolarHBondContact O-NH1 3.24Å; P164-R170 WeakPolarHBondContact O-CD 3.4Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 3Å; P168-R170 VanDerWaalsContact C-N 3.35Å; P168-R170 PolarHBondContact O-N 3.43Å; R170-L173 WeakPolarHBondContact O-CB 3.47Å; R170-L173 PolarHBondContact O-N 2.78Å; R170-A174 PolarHBondContact O-N 3.42Å
171L97.9Very high97.4Very high1 Ų123.1 Ų23.11%0.00512%0.123CC..Hα-helixtrans-61.4-45.9173.8-75.6170.4000111.5H167 P168 L173 A174 L175 A202 I220 M221 L224H167-L171 PolarHBondContact O-N 2.73Å; P168-L171 PolarHBondContact O-N 3.44Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 3.07Å; L171-A174 WeakPolarHBondContact O-CB 3.3Å; L171-A174 PolarHBondContact O-N 3.46Å; L171-A174 VanDerWaalsContact O-N 3.13Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-A202 HydrophobicContact CD2-CB 3.69Å; L171-I220 HydrophobicContact CB-CB 4.1Å; L171-I220 HydrophobicContact CB-CD1 4.08Å; L171-I220 HydrophobicContact CB-CG2 3.66Å; L171-M221 HydrophobicContact CD1-CG 3.92Å; L171-M221 HydrophobicContact CD1-SD 4.31Å; L171-M221 HydrophobicContact CD2-CG 4Å; L171-L224 HydrophobicContact CD2-CD1 4Å
172G97.7Very high97.4Very high2 Ų218 Ų182%0.0219%0.094CC..Hα-helixtrans-64.6-35.417900000112.4K123 P168 N176K123-G172 WeakPolarHBondContact CE-O 3.35Å; P168-G172 PolarHBondContact O-N 2.93Å; G172-N176 PolarHBondContact O-N 3.33Å
173L98.5Very high97.3Very high4 Ų417 Ų172%0.0219%0.087CC..Hα-helixtrans-61.4-48.3170.2169.364000111.2V119 K123 Y152 A155 A159 I169 R170 L171 L175 N176 F177V119-L173 HydrophobicContact CG1-CD2 4.03Å; K123-L173 HydrophobicContact CB-CD1 4.1Å; K123-L173 HydrophobicContact CD-CB 4.12Å; K123-L173 HydrophobicContact CG-CB 4.29Å; K123-L173 HydrophobicContact CG-CD1 4.06Å; Y152-L173 HydrophobicContact CD1-CD1 3.63Å; Y152-L173 HydrophobicContact CE1-CD1 4.33Å; A155-L173 VanDerWaalsContact C-CD2 3.48Å; A155-L173 HydrophobicContact CB-CD1 3.67Å; A155-L173 HydrophobicContact CB-CD2 3.62Å; A155-L173 HydrophobicContact CB-CG 4.31Å; A159-L173 HydrophobicContact CB-CD2 4.01Å; I169-L173 WeakPolarHBondContact O-CB 3.48Å; I169-L173 PolarHBondContact O-N 3.33Å; R170-L173 WeakPolarHBondContact O-CB 3.47Å; R170-L173 PolarHBondContact O-N 2.78Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 3.07Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.96Å; L173-N176 PolarHBondContact O-N 3.48Å; L173-F177 WeakPolarHBondContact O-CB 3.33Å; L173-F177 PolarHBondContact O-N 2.86Å
174A98.6Very high97.4Very high9 Ų916.8 Ų16.87%0.0749%0.086CC..Hα-helixtrans-61.4-41.517900000111.9R170 L171 S178 A198R170-A174 PolarHBondContact O-N 3.42Å; L171-A174 WeakPolarHBondContact O-CB 3.3Å; L171-A174 PolarHBondContact O-N 3.46Å; L171-A174 VanDerWaalsContact O-N 3.13Å; A174-S178 VanDerWaalsContact O-CB 3.25Å; A174-S178 WeakPolarHBondContact O-CB 3.37Å; A174-S178 PolarHBondContact O-N 3.25Å; A174-S178 PolarHBondContact O-OG 2.98Å; A174-S178 VanDerWaalsContact O-OG 3.13Å; A174-A198 HydrophobicContact CB-CB 3.36Å
175L98.3Very high97.4Very high0 Ų016.2 Ų16.20%08%0.079CC..Hα-helixtrans-57.6-61175.317959.7000110.7L171 L173 F177 S178 V179 I220 L223 L224 N227 V254L171-L175 PolarHBondContact O-N 3.41Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.96Å; L175-F177 VanDerWaalsContact C-N 3.32Å; L175-F177 PolarHBondContact O-N 3.37Å; L175-S178 PolarHBondContact O-N 3.21Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 3.46Å; L175-V179 WeakPolarHBondContact O-CG2 3.46Å; L175-V179 PolarHBondContact O-N 2.96Å; L175-I220 HydrophobicContact CB-CG2 4.21Å; L175-I220 HydrophobicContact CD2-CG2 4.11Å; L175-L223 HydrophobicContact CD1-CB 4.16Å; L175-L223 HydrophobicContact CD2-CB 3.62Å; L175-L223 HydrophobicContact CD2-CD1 3.59Å; L175-L223 HydrophobicContact CD2-CG 4.26Å; L175-L224 HydrophobicContact CB-CD2 3.94Å; L175-L224 HydrophobicContact CB-CG 4.22Å; L175-L224 HydrophobicContact CD1-CD2 3.95Å; L175-L224 HydrophobicContact CD1-CG 4.19Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.45Å; L175-V254 HydrophobicContact CB-CG2 4.37Å; L175-V254 HydrophobicContact CD2-CG2 3.75Å; L175-V254 HydrophobicContact CG-CG2 4.4Å
176N98.2Very high97.4Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-63.9-36.8-176.2-74.820.5000112.9K123 D127 Y152 G172 L173 S178 V179 F180 V254 E255K123-N176 PolarHBondContact NZ-ND2 2.81Å; D127-N176 VanDerWaalsContact OD1-CB 3.27Å; D127-N176 WeakPolarHBondContact OD1-CB 3.46Å; D127-N176 PolarHBondContact OD1-ND2 3.08Å; D127-N176 PolarHBondContact OD2-ND2 3.01Å; D127-N176 VanDerWaalsContact OD2-ND2 3.11Å; Y152-N176 HydrophobicContact CE1-CB 4.28Å; G172-N176 PolarHBondContact O-N 3.33Å; L173-N176 PolarHBondContact O-N 3.48Å; N176-S178 VanDerWaalsContact C-N 3.35Å; N176-V179 PolarHBondContact O-N 3.48Å; N176-F180 PolarHBondContact O-N 3.34Å; N176-V254 WeakPolarHBondContact OD1-CG2 3.42Å; N176-V254 PolarHBondContact OD1-N 3.39Å; N176-E255 PolarHBondContact ND2-OE1 3.49Å
177F98.7Very high97.5Very high7 Ų722.7 Ų22.73%0.03111%0.114CC..Hα-helixtrans-70.7-32.6178.1-169.8-166.6000111.9L149 Y152 K153 L173 L175 F180 Y181 L194L149-F177 HydrophobicContact CD1-CE2 3.8Å; L149-F177 HydrophobicContact CD1-CZ 3.82Å; Y152-F177 VanDerWaalsContact CB-CD2 3.46Å; Y152-F177 HydrophobicContact CD1-CB 4.06Å; Y152-F177 HydrophobicContact CD1-CG 4.32Å; Y152-F177 HydrophobicContact CD2-CB 4.34Å; Y152-F177 AromaticContact CD2-CD2 3.46Å; Y152-F177 HydrophobicContact CD2-CD2 3.46Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.46Å; 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 4.47Å; Y152-F177 HydrophobicContact CE2-CD2 4.28Å; Y152-F177 HydrophobicContact CG-CB 3.98Å; Y152-F177 HydrophobicContact CG-CD1 4.39Å; Y152-F177 AromaticContact CG-CD2 3.59Å; Y152-F177 HydrophobicContact CG-CD2 3.59Å; 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 4.48Å; K153-F177 HydrophobicContact CG-CZ 4.12Å; L173-F177 WeakPolarHBondContact O-CB 3.33Å; L173-F177 PolarHBondContact O-N 2.86Å; L175-F177 VanDerWaalsContact C-N 3.32Å; L175-F177 PolarHBondContact O-N 3.37Å; 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 4.42Å; F177-F180 AromaticContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CE1 4.15Å; F177-F180 WeakPolarHBondContact O-CB 3.4Å; F177-F180 PolarHBondContact O-N 3.49Å; F177-Y181 HydrophobicContact CD1-CE2 4.25Å; F177-Y181 AromaticContact CD2-CD2 3.95Å; F177-Y181 HydrophobicContact CD2-CD2 3.95Å; F177-Y181 AromaticContact CD2-CE2 3.69Å; F177-Y181 HydrophobicContact CD2-CE2 3.69Å; F177-Y181 AromaticContact CE1-CE2 3.93Å; F177-Y181 HydrophobicContact CE1-CE2 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CE1 4.35Å; 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 4.44Å; F177-Y181 HydrophobicContact CG-CE2 4.14Å; F177-Y181 HydrophobicContact CZ-CD2 4.48Å; F177-Y181 AromaticContact CZ-CE2 3.46Å; F177-Y181 HydrophobicContact CZ-CE2 3.46Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.46Å; F177-Y181 AromaticContact CZ-CZ 3.57Å; F177-Y181 VanDerWaalsContact CZ-OH 3.25Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.35Å; F177-Y181 VanDerWaalsContact O-CD2 3.26Å; F177-Y181 WeakPolarHBondContact O-CD2 3.32Å; F177-Y181 PolarHBondContact O-N 3.4Å; F177-L194 HydrophobicContact CB-CD2 3.79Å; F177-L194 HydrophobicContact CD1-CD2 3.6Å; F177-L194 HydrophobicContact CE1-CD2 4.37Å; F177-L194 HydrophobicContact CG-CD2 3.7Å
178S98.4Very high97.5Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-66.8-41.1171.769.40000111.8A174 L175 N176 F180 Y181 Y182 A191 W231A174-S178 VanDerWaalsContact O-CB 3.25Å; A174-S178 WeakPolarHBondContact O-CB 3.37Å; A174-S178 PolarHBondContact O-N 3.25Å; A174-S178 PolarHBondContact O-OG 2.98Å; A174-S178 VanDerWaalsContact O-OG 3.13Å; L175-S178 PolarHBondContact O-N 3.21Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 3.46Å; N176-S178 VanDerWaalsContact C-N 3.35Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 2.93Å; S178-Y181 PolarHBondContact O-N 2.83Å; S178-Y182 PolarHBondContact O-N 2.89Å; S178-A191 WeakPolarHBondContact O-CB 3.35Å; S178-W231 VanDerWaalsContact OG-CH2 3.32Å; S178-W231 WeakPolarHBondContact OG-CH2 3.44Å
179V97.8Very high97.5Very high1 Ų125.7 Ų25.71%0.00613%0.132CC..Hα-helixtrans-59.3-44.2172.3174.80000110.9L175 N176 Y181 Y182 E183 W231 I251 D253L175-V179 WeakPolarHBondContact O-CG2 3.46Å; L175-V179 PolarHBondContact O-N 2.96Å; N176-V179 PolarHBondContact O-N 3.48Å; V179-Y181 PolarHBondContact O-N 3.27Å; V179-Y182 PolarHBondContact O-N 3.13Å; V179-E183 HydrophobicContact CG1-CG 4.06Å; V179-E183 VanDerWaalsContact CG1-OE2 3.29Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.41Å; V179-E183 PolarHBondContact O-N 2.87Å; V179-W231 HydrophobicContact CG2-CH2 4.15Å; V179-W231 HydrophobicContact CG2-CZ2 4.03Å; V179-I251 HydrophobicContact CB-CG2 4.33Å; V179-I251 HydrophobicContact CG1-CG2 3.88Å; V179-I251 HydrophobicContact CG2-CG2 3.69Å; V179-D253 HydrophobicContact CG2-CB 4.21Å
180F98.5Very high97.5Very high0 Ų030.8 Ų30.80%015%0.151CC..Hα-helixtrans-56.4-46.9173.3170-101.1000113R130 A145 S148 L149 Y152 N176 F177 S178 Y182 I184 L185R130-F180 HydrophobicContact CB-CD2 4.21Å; R130-F180 HydrophobicContact CG-CD2 4.25Å; A145-F180 HydrophobicContact CB-CE2 4.44Å; A145-F180 WeakPolarHBondContact O-CZ 3.18Å; S148-F180 WeakPolarHBondContact OG-CD2 3.2Å; S148-F180 WeakPolarHBondContact OG-CE2 3.34Å; L149-F180 HydrophobicContact CB-CE1 3.95Å; L149-F180 HydrophobicContact CB-CZ 3.94Å; L149-F180 HydrophobicContact CD1-CE1 4.02Å; Y152-F180 HydrophobicContact CD2-CB 4.18Å; Y152-F180 HydrophobicContact CD2-CD1 4.19Å; Y152-F180 HydrophobicContact CD2-CG 4.06Å; Y152-F180 HydrophobicContact CE2-CB 3.63Å; Y152-F180 HydrophobicContact CE2-CD1 4.4Å; Y152-F180 HydrophobicContact CE2-CD2 4.17Å; Y152-F180 AromaticContact CE2-CG 3.81Å; Y152-F180 HydrophobicContact CE2-CG 3.81Å; N176-F180 PolarHBondContact O-N 3.34Å; 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 4.42Å; F177-F180 AromaticContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CE1 4.15Å; F177-F180 WeakPolarHBondContact O-CB 3.4Å; F177-F180 PolarHBondContact O-N 3.49Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 2.93Å; F180-Y182 VanDerWaalsContact C-N 3.27Å; F180-Y182 PolarHBondContact O-N 3.23Å; F180-I184 HydrophobicContact CD2-CB 3.68Å; F180-I184 HydrophobicContact CD2-CG1 3.73Å; F180-I184 HydrophobicContact CD2-CG2 4.12Å; F180-I184 HydrophobicContact CE2-CB 3.7Å; F180-I184 HydrophobicContact CE2-CG1 4.13Å; F180-I184 HydrophobicContact CE2-CG2 3.63Å; F180-I184 HydrophobicContact CZ-CG2 4.43Å; F180-I184 WeakPolarHBondContact O-CB 3.24Å; F180-I184 PolarHBondContact O-N 3.48Å; F180-L185 HydrophobicContact CD1-CD1 4.2Å; F180-L185 HydrophobicContact CD1-CG 4.31Å; F180-L185 HydrophobicContact CE1-CD1 3.34Å; F180-L185 HydrophobicContact CE1-CD2 4.33Å; F180-L185 HydrophobicContact CE1-CG 3.57Å; F180-L185 HydrophobicContact CE2-CG 4.42Å; F180-L185 HydrophobicContact CZ-CD1 3.79Å; F180-L185 HydrophobicContact CZ-CD2 3.93Å; F180-L185 HydrophobicContact CZ-CG 3.62Å; F180-L185 PolarHBondContact O-N 3.18Å
181Y98.5Very high97.5Very high27 Ų2728.6 Ų28.611%0.10614%0.142CC..Hα-helixtrans-60.2-40.1178-85.3-58.8000111.9L149 F177 S178 V179 L185 N186 S187 R190 L194L149-Y181 HydrophobicContact CD1-CE1 4.35Å; F177-Y181 HydrophobicContact CD1-CE2 4.25Å; F177-Y181 AromaticContact CD2-CD2 3.95Å; F177-Y181 HydrophobicContact CD2-CD2 3.95Å; F177-Y181 AromaticContact CD2-CE2 3.69Å; F177-Y181 HydrophobicContact CD2-CE2 3.69Å; F177-Y181 AromaticContact CE1-CE2 3.93Å; F177-Y181 HydrophobicContact CE1-CE2 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CD2 3.97Å; F177-Y181 HydrophobicContact CE2-CE1 4.35Å; 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 4.44Å; F177-Y181 HydrophobicContact CG-CE2 4.14Å; F177-Y181 HydrophobicContact CZ-CD2 4.48Å; F177-Y181 AromaticContact CZ-CE2 3.46Å; F177-Y181 HydrophobicContact CZ-CE2 3.46Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.46Å; F177-Y181 AromaticContact CZ-CZ 3.57Å; F177-Y181 VanDerWaalsContact CZ-OH 3.25Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.35Å; F177-Y181 VanDerWaalsContact O-CD2 3.26Å; F177-Y181 WeakPolarHBondContact O-CD2 3.32Å; F177-Y181 PolarHBondContact O-N 3.4Å; S178-Y181 PolarHBondContact O-N 2.83Å; V179-Y181 PolarHBondContact O-N 3.27Å; Y181-L185 HydrophobicContact CD1-CB 4.45Å; Y181-L185 HydrophobicContact CD1-CD1 3.72Å; Y181-L185 HydrophobicContact CE1-CD1 3.77Å; Y181-L185 CarbonylContact O-C 3.59Å; Y181-N186 PolarHBondContact O-N 3.06Å; Y181-S187 PolarHBondContact O-N 3.3Å; Y181-R190 HydrophobicContact CD1-CB 3.81Å; Y181-R190 HydrophobicContact CD2-CB 4.36Å; Y181-R190 HydrophobicContact CE1-CB 4.25Å; Y181-R190 HydrophobicContact CG-CB 3.9Å; Y181-L194 HydrophobicContact CD2-CD2 3.98Å; Y181-L194 HydrophobicContact CE2-CD2 3.97Å
182Y97.7Very high97.5Very high27 Ų2729.3 Ų29.311%0.10615%0.148CC..Hα-helixtrans-71.5-60179.2-174-80.1000111.1S178 V179 F180 N186 P188 W231 D234 I251S178-Y182 PolarHBondContact O-N 2.89Å; V179-Y182 PolarHBondContact O-N 3.13Å; F180-Y182 VanDerWaalsContact C-N 3.27Å; F180-Y182 PolarHBondContact O-N 3.23Å; Y182-N186 VanDerWaalsContact O-CA 3.3Å; Y182-N186 WeakPolarHBondContact O-CA 3.1Å; Y182-N186 PolarHBondContact O-N 2.64Å; Y182-P188 HydrophobicContact CD2-CB 3.93Å; Y182-P188 HydrophobicContact CE2-CB 4.11Å; Y182-W231 AromaticContact CD1-NE1 3.79Å; Y182-W231 HydrophobicContact CD2-CB 4Å; Y182-W231 AromaticContact CD2-CD1 3.24Å; Y182-W231 AromaticContact CD2-CD2 3.75Å; Y182-W231 HydrophobicContact CD2-CD2 3.75Å; Y182-W231 AromaticContact CD2-CE2 3.79Å; Y182-W231 AromaticContact CD2-CG 3.38Å; Y182-W231 HydrophobicContact CD2-CG 3.38Å; Y182-W231 AromaticContact CD2-NE1 3.46Å; Y182-W231 HydrophobicContact CE2-CB 3.83Å; Y182-W231 AromaticContact CE2-CD1 3.07Å; Y182-W231 HydrophobicContact CE2-CD2 4.31Å; Y182-W231 AromaticContact CE2-CG 3.47Å; Y182-W231 HydrophobicContact CE2-CG 3.47Å; Y182-W231 VanDerWaalsContact CE2-CG 3.47Å; Y182-W231 AromaticContact CE2-NE1 3.68Å; Y182-W231 AromaticContact CG-CD1 3.81Å; Y182-W231 HydrophobicContact CG-CD2 4.22Å; Y182-W231 AromaticContact CG-CE2 3.79Å; Y182-W231 HydrophobicContact CG-CG 4.2Å; Y182-W231 HydrophobicContact CG-CZ2 4.34Å; Y182-W231 AromaticContact CG-NE1 3.51Å; Y182-W231 AromaticContact CZ-CD1 3.54Å; Y182-W231 AromaticContact CZ-NE1 3.95Å; Y182-D234 PolarHBondContact OH-OD2 2.88Å; Y182-I251 HydrophobicContact CD1-CD1 3.31Å; Y182-I251 HydrophobicContact CE1-CD1 3.29Å; Y182-I251 HydrophobicContact CG-CD1 4.27Å
183E95.7Very high97.5Very high70 Ų7036.5 Ų36.533%0.32717%0.174SC..Hα-helixtrans-78-38.2-168.5-64.4-171.3140.900113.7V179 I251V179-E183 HydrophobicContact CG1-CG 4.06Å; V179-E183 VanDerWaalsContact CG1-OE2 3.29Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.41Å; V179-E183 PolarHBondContact O-N 2.87Å; E183-I251 HydrophobicContact CG-CD1 3.73Å
184I97.6Very high97.5Very high8 Ų838.4 Ų38.44%0.04118%0.184CC..THydrogen-bonded Turntrans-97.5-43-172.3-53.6-54000111.8R130 A133 E134 R141 A145 F180R130-I184 HydrophobicContact CG-CD1 4.38Å; R130-I184 HydrophobicContact CG-CG1 3.89Å; A133-I184 HydrophobicContact CB-CD1 4.14Å; A133-I184 HydrophobicContact CB-CG1 4.44Å; A133-I184 HydrophobicContact CB-CG2 3.74Å; E134-I184 HydrophobicContact CG-CD1 4.07Å; R141-I184 PolarHBondContact NH2-O 2.97Å; A145-I184 HydrophobicContact CB-CG2 3.74Å; F180-I184 HydrophobicContact CD2-CB 3.68Å; F180-I184 HydrophobicContact CD2-CG1 3.73Å; F180-I184 HydrophobicContact CD2-CG2 4.12Å; F180-I184 HydrophobicContact CE2-CB 3.7Å; F180-I184 HydrophobicContact CE2-CG1 4.13Å; F180-I184 HydrophobicContact CE2-CG2 3.63Å; F180-I184 HydrophobicContact CZ-CG2 4.43Å; F180-I184 WeakPolarHBondContact O-CB 3.24Å; F180-I184 PolarHBondContact O-N 3.48Å
185L97.6Very high97.4Very high51 Ų5138 Ų3827%0.26718%0.18SC..THydrogen-bonded Turntrans-93.4-1.6-179.2-63.2-170.8000114A145 F180 Y181 S187A145-L185 HydrophobicContact CB-CD2 4.46Å; F180-L185 HydrophobicContact CD1-CD1 4.2Å; F180-L185 HydrophobicContact CD1-CG 4.31Å; F180-L185 HydrophobicContact CE1-CD1 3.34Å; F180-L185 HydrophobicContact CE1-CD2 4.33Å; F180-L185 HydrophobicContact CE1-CG 3.57Å; F180-L185 HydrophobicContact CE2-CG 4.42Å; F180-L185 HydrophobicContact CZ-CD1 3.79Å; F180-L185 HydrophobicContact CZ-CD2 3.93Å; F180-L185 HydrophobicContact CZ-CG 3.62Å; F180-L185 PolarHBondContact O-N 3.18Å; Y181-L185 HydrophobicContact CD1-CB 4.45Å; Y181-L185 HydrophobicContact CD1-CD1 3.72Å; Y181-L185 HydrophobicContact CE1-CD1 3.77Å; Y181-L185 CarbonylContact O-C 3.59Å; L185-S187 PolarHBondContact O-N 2.87Å; L185-S187 VanDerWaalsContact O-N 3.12Å; L185-S187 PolarHBondContact O-OG 3.2Å
186N95.9Very high97.4Very high138 Ų13843.6 Ų43.674%0.73821%0.205SC*.  trans46.743.8-178.6-164.852.8000112Y181 Y182 P188Y181-N186 PolarHBondContact O-N 3.06Å; Y182-N186 VanDerWaalsContact O-CA 3.3Å; Y182-N186 WeakPolarHBondContact O-CA 3.1Å; Y182-N186 PolarHBondContact O-N 2.64Å; N186-P188 VanDerWaalsContact C-CD 3.41Å; N186-P188 WeakPolarHBondContact O-CD 3.46Å
187S96.8Very high97.4Very high22 Ų2245.8 Ų45.815%0.15422%0.223CC..  trans-122.267.9-173.6-63.10000109.9Y181 L185 D189 R190 A191Y181-S187 PolarHBondContact O-N 3.3Å; L185-S187 PolarHBondContact O-N 2.87Å; L185-S187 VanDerWaalsContact O-N 3.12Å; L185-S187 PolarHBondContact O-OG 3.2Å; S187-D189 PolarHBondContact O-N 2.73Å; S187-R190 PolarHBondContact O-N 2.89Å; S187-A191 PolarHBondContact O-N 3.23Å
188P95.4Very high97.4Very high35 Ų3546.2 Ų46.223%0.22723%0.228CC..Hα-helixtrans-61.5-30.4-175.325.4-35.2000112.8Y182 N186 R190 A191 C192 M235Y182-P188 HydrophobicContact CD2-CB 3.93Å; Y182-P188 HydrophobicContact CE2-CB 4.11Å; N186-P188 VanDerWaalsContact C-CD 3.41Å; N186-P188 WeakPolarHBondContact O-CD 3.46Å; P188-R190 VanDerWaalsContact C-N 3.32Å; P188-R190 PolarHBondContact O-N 3.41Å; P188-A191 PolarHBondContact O-N 3.12Å; P188-C192 WeakPolarHBondContact O-CB 3.44Å; P188-C192 PolarHBondContact O-N 3.5Å; P188-C192 PolarHBondContact O-SG 3.42Å; P188-M235 HydrophobicContact CB-CG 4.12Å; P188-M235 HydrophobicContact CB-SD 3.92Å; P188-M235 HydrophobicContact CG-CG 4.35Å; P188-M235 HydrophobicContact CG-SD 4.3Å
189D95.5Very high97.3Very high75 Ų7548 Ų4840%0.40124%0.235SC..Hα-helixtrans-62-4017577.8-69000112S187 R193S187-D189 PolarHBondContact O-N 2.73Å; D189-R193 VanDerWaalsContact O-CB 3.23Å; D189-R193 WeakPolarHBondContact O-CB 3.33Å; D189-R193 PolarHBondContact O-N 3.17Å; D189-R193 IonicContact OD2-CZ 2.71Å; D189-R193 IonicContact OD2-NH1 2.76Å; D189-R193 PolarHBondContact OD2-NH1 3.4Å; D189-R193 IonicContact OD2-NH2 3.98Å; D189-R193 PolarHBondContact OD2-NH2 3.01Å
190R97.3Very high97.3Very high123 Ų12351.6 Ų51.646%0.46426%0.255SS..Hα-helixtrans-73.9-41.1178.1-67.8-174.9177.4179.8-0.6111.1Y181 S187 P188 R193 L194Y181-R190 HydrophobicContact CD1-CB 3.81Å; Y181-R190 HydrophobicContact CD2-CB 4.36Å; Y181-R190 HydrophobicContact CE1-CB 4.25Å; Y181-R190 HydrophobicContact CG-CB 3.9Å; S187-R190 PolarHBondContact O-N 2.89Å; P188-R190 VanDerWaalsContact C-N 3.32Å; P188-R190 PolarHBondContact O-N 3.41Å; R190-R193 PolarHBondContact O-N 3.13Å; R190-L194 WeakPolarHBondContact O-CB 3.43Å; R190-L194 PolarHBondContact O-N 3.2Å
191A97.5Very high97.3Very high0 Ų055.4 Ų55.40%028%0.275CS..Hα-helixtrans-57.2-52.8175.200000110.9S178 S187 P188 R193 L194 A195 W231S178-A191 WeakPolarHBondContact O-CB 3.35Å; S187-A191 PolarHBondContact O-N 3.23Å; P188-A191 PolarHBondContact O-N 3.12Å; A191-R193 PolarHBondContact O-N 3.41Å; A191-L194 PolarHBondContact O-N 3.03Å; A191-A195 WeakPolarHBondContact O-CB 3.41Å; A191-A195 PolarHBondContact O-N 2.67Å; A191-W231 HydrophobicContact CB-CE3 4.02Å; A191-W231 HydrophobicContact CB-CH2 4.42Å; A191-W231 HydrophobicContact CB-CZ3 3.93Å
192C97.5Very high97.2Very high17 Ų1754.1 Ų54.112%0.11527%0.27CS..Hα-helixtrans-64.2-41.6179.9-650000112.2P188 L194 K196 L228 M235P188-C192 WeakPolarHBondContact O-CB 3.44Å; P188-C192 PolarHBondContact O-N 3.5Å; P188-C192 PolarHBondContact O-SG 3.42Å; C192-L194 VanDerWaalsContact C-N 3.34Å; C192-L194 PolarHBondContact O-N 3.42Å; C192-K196 WeakPolarHBondContact O-CB 3.4Å; C192-K196 PolarHBondContact O-N 2.91Å; C192-L228 HydrophobicContact CB-CD2 4.04Å; C192-L228 WeakPolarHBondContact O-CD2 3.37Å; C192-M235 HydrophobicContact CB-CE 4.47Å; C192-M235 WeakPolarHBondContact SG-CE 3.5Å
193R97.7Very high97.1Very high153 Ų15356.8 Ų56.858%0.57729%0.285SS*.Hα-helixtrans-60.6-44.1177.5-171.1-175.3-58.5107.64.8111.5D189 R190 A191 A197D189-R193 VanDerWaalsContact O-CB 3.23Å; D189-R193 WeakPolarHBondContact O-CB 3.33Å; D189-R193 PolarHBondContact O-N 3.17Å; D189-R193 IonicContact OD2-CZ 2.71Å; D189-R193 IonicContact OD2-NH1 2.76Å; D189-R193 PolarHBondContact OD2-NH1 3.4Å; D189-R193 IonicContact OD2-NH2 3.98Å; D189-R193 PolarHBondContact OD2-NH2 3.01Å; R190-R193 PolarHBondContact O-N 3.13Å; A191-R193 PolarHBondContact O-N 3.41Å; R193-A197 VanDerWaalsContact O-CB 3.31Å; R193-A197 WeakPolarHBondContact O-CB 3.26Å; R193-A197 PolarHBondContact O-N 3.06Å; R193-A197 VanDerWaalsContact O-N 3.08Å
194L98.2Very high97.1Very high43 Ų4357.5 Ų57.523%0.22530%0.303CS..Hα-helixtrans-68.1-50.6179.7179.562.3000111.8F177 Y181 R190 A191 C192 K196 A197 A198F177-L194 HydrophobicContact CB-CD2 3.79Å; F177-L194 HydrophobicContact CD1-CD2 3.6Å; F177-L194 HydrophobicContact CE1-CD2 4.37Å; F177-L194 HydrophobicContact CG-CD2 3.7Å; Y181-L194 HydrophobicContact CD2-CD2 3.98Å; Y181-L194 HydrophobicContact CE2-CD2 3.97Å; R190-L194 WeakPolarHBondContact O-CB 3.43Å; R190-L194 PolarHBondContact O-N 3.2Å; A191-L194 PolarHBondContact O-N 3.03Å; C192-L194 VanDerWaalsContact C-N 3.34Å; C192-L194 PolarHBondContact O-N 3.42Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 2.86Å; L194-A197 PolarHBondContact O-N 3.43Å; L194-A198 PolarHBondContact O-N 3.3Å
195A97.8Very high96.9Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-62.1-41.8-179.300000111.8A191 A198 F199 L224 L228 W231A191-A195 WeakPolarHBondContact O-CB 3.41Å; A191-A195 PolarHBondContact O-N 2.67Å; A195-A198 PolarHBondContact O-N 3.3Å; A195-F199 WeakPolarHBondContact O-CB 3.49Å; A195-F199 PolarHBondContact O-N 2.58Å; A195-L224 HydrophobicContact CB-CD2 3.77Å; A195-L228 HydrophobicContact CB-CD1 4.2Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.83Å; A195-W231 HydrophobicContact CB-CZ3 4.12Å
196K97.7Very high96.6Very high119 Ų11960.3 Ų60.352%0.51732%0.316SS..Hα-helixtrans-64.9-45.9177.4-176.8172.7-178.4175.50112.1C192 L194 A198 F199 D200 L228C192-K196 WeakPolarHBondContact O-CB 3.4Å; C192-K196 PolarHBondContact O-N 2.91Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 2.86Å; K196-A198 VanDerWaalsContact C-N 3.34Å; K196-A198 PolarHBondContact O-N 3.4Å; K196-F199 PolarHBondContact O-N 3Å; K196-D200 WeakPolarHBondContact CE-OD2 3.23Å; K196-D200 WeakPolarHBondContact CG-OD2 3.31Å; K196-D200 WeakPolarHBondContact O-CB 3.5Å; K196-D200 VanDerWaalsContact O-CG 3.27Å; K196-D200 PolarHBondContact O-N 3.12Å; K196-L228 HydrophobicContact CB-CD1 4.22Å; K196-L228 HydrophobicContact CB-CD2 4.14Å
197A98.2Very high96.3Very high45 Ų4561.7 Ų61.737%0.37232%0.323SS..Hα-helixtrans-59.5-45.9177.700000111.5R193 L194 F199 D200 D201R193-A197 VanDerWaalsContact O-CB 3.31Å; R193-A197 WeakPolarHBondContact O-CB 3.26Å; R193-A197 PolarHBondContact O-N 3.06Å; R193-A197 VanDerWaalsContact O-N 3.08Å; L194-A197 PolarHBondContact O-N 3.43Å; A197-F199 PolarHBondContact O-N 3.5Å; A197-D200 PolarHBondContact O-N 3.21Å; A197-D201 WeakPolarHBondContact O-CB 3.32Å; A197-D201 PolarHBondContact O-N 3.42Å
198A98Very high95.9Very high17 Ų1765.6 Ų65.614%0.1435%0.346CS..Hα-helixtrans-63.3-40.1177.600000112.9A174 L194 A195 K196 A202 L224A174-A198 HydrophobicContact CB-CB 3.36Å; L194-A198 PolarHBondContact O-N 3.3Å; A195-A198 PolarHBondContact O-N 3.3Å; K196-A198 VanDerWaalsContact C-N 3.34Å; K196-A198 PolarHBondContact O-N 3.4Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.41Å; A198-A202 PolarHBondContact O-N 3.42Å; A198-A202 VanDerWaalsContact O-N 3.08Å; A198-L224 HydrophobicContact CB-CD1 4.36Å
199F97.5Very high95.4Very high36 Ų3665.5 Ų65.516%0.15834%0.343CS..Hα-helixtrans-66.4-46.8177.2-174.6-96.7000112A195 K196 A197 A202 I203 M221 L224 R225A195-F199 WeakPolarHBondContact O-CB 3.49Å; A195-F199 PolarHBondContact O-N 2.58Å; K196-F199 PolarHBondContact O-N 3Å; A197-F199 PolarHBondContact O-N 3.5Å; F199-A202 PolarHBondContact O-N 2.73Å; F199-I203 HydrophobicContact CD1-CD1 3.65Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.09Å; F199-I203 HydrophobicContact CE1-CG1 4.09Å; F199-I203 HydrophobicContact CE2-CD1 4.34Å; F199-I203 HydrophobicContact CG-CD1 4.49Å; F199-I203 HydrophobicContact CZ-CD1 3.5Å; F199-I203 VanDerWaalsContact CZ-CD1 3.5Å; F199-I203 HydrophobicContact CZ-CG1 4.3Å; F199-I203 WeakPolarHBondContact O-CB 3.3Å; F199-I203 WeakPolarHBondContact O-CG1 3.4Å; F199-I203 PolarHBondContact O-N 3.04Å; F199-M221 HydrophobicContact CD2-CB 4.13Å; F199-M221 WeakPolarHBondContact CD2-O 3.47Å; F199-M221 HydrophobicContact CE2-CB 4.1Å; F199-M221 HydrophobicContact CE2-CE 4.47Å; F199-M221 VanDerWaalsContact CE2-O 3.28Å; F199-M221 WeakPolarHBondContact CE2-O 3.43Å; F199-L224 HydrophobicContact CD2-CB 4.36Å; F199-R225 HydrophobicContact CD2-CB 4.43Å; F199-R225 HydrophobicContact CE2-CB 3.87Å; F199-R225 HydrophobicContact CE2-CG 4.47Å; F199-R225 HydrophobicContact CZ-CB 4.2Å; F199-R225 HydrophobicContact CZ-CG 4.3Å
200D97.8Very high94.9Very high78 Ų7864.9 Ų64.942%0.41735%0.345SS..Hα-helixtrans-65-44179.8-70-16.5000111.2K196 A197 A202 I203 A204K196-D200 WeakPolarHBondContact CE-OD2 3.23Å; K196-D200 WeakPolarHBondContact CG-OD2 3.31Å; K196-D200 WeakPolarHBondContact O-CB 3.5Å; K196-D200 VanDerWaalsContact O-CG 3.27Å; K196-D200 PolarHBondContact O-N 3.12Å; A197-D200 PolarHBondContact O-N 3.21Å; D200-A202 PolarHBondContact O-N 2.9Å; D200-I203 PolarHBondContact O-N 3.37Å; D200-A204 PolarHBondContact O-N 3.06Å; D200-A204 VanDerWaalsContact O-N 3.11Å
201D97.1Very high94.2Very high79 Ų7968 Ų6842%0.42237%0.365SS..Hα-helixtrans-61.9-42.5176.6-71.3-12.4000111.5P165 A197 A204P165-D201 HydrophobicContact CB-CB 3.91Å; P165-D201 HydrophobicContact CG-CB 4.42Å; A197-D201 WeakPolarHBondContact O-CB 3.32Å; A197-D201 PolarHBondContact O-N 3.42Å; D201-A204 PolarHBondContact O-N 3.08Å
202A96.4Very high93.5Very high0 Ų076.4 Ų76.40%040%0.404CS..Hα-helixtrans-72.3-35.8179.400000112.8T166 L171 A198 F199 D200 A204 E205 L206 M221T166-A202 HydrophobicContact CG2-CB 4.4Å; T166-A202 WeakPolarHBondContact CG2-O 3.25Å; L171-A202 HydrophobicContact CD2-CB 3.69Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.41Å; A198-A202 PolarHBondContact O-N 3.42Å; A198-A202 VanDerWaalsContact O-N 3.08Å; F199-A202 PolarHBondContact O-N 2.73Å; D200-A202 PolarHBondContact O-N 2.9Å; A202-A204 VanDerWaalsContact C-N 3.29Å; A202-A204 PolarHBondContact O-N 3.27Å; A202-E205 PolarHBondContact O-N 3.39Å; A202-L206 WeakPolarHBondContact O-CA 3.46Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 PolarHBondContact O-N 2.85Å; A202-M221 HydrophobicContact CB-CE 3.88Å; A202-M221 HydrophobicContact CB-CG 4.32Å; A202-M221 HydrophobicContact CB-SD 3.85Å
203I95.7Very high92.9Very high84 Ų8477.3 Ų77.343%0.43141%0.41SS..Hα-helixtrans-59.2-42.8172.2-81.1-173.7000111F199 D200 E205 L206 M221F199-I203 HydrophobicContact CD1-CD1 3.65Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.09Å; F199-I203 HydrophobicContact CE1-CG1 4.09Å; F199-I203 HydrophobicContact CE2-CD1 4.34Å; F199-I203 HydrophobicContact CG-CD1 4.49Å; F199-I203 HydrophobicContact CZ-CD1 3.5Å; F199-I203 VanDerWaalsContact CZ-CD1 3.5Å; F199-I203 HydrophobicContact CZ-CG1 4.3Å; F199-I203 WeakPolarHBondContact O-CB 3.3Å; F199-I203 WeakPolarHBondContact O-CG1 3.4Å; F199-I203 PolarHBondContact O-N 3.04Å; D200-I203 PolarHBondContact O-N 3.37Å; I203-E205 PolarHBondContact O-N 3.18Å; I203-L206 PolarHBondContact O-N 3.04Å; I203-M221 HydrophobicContact CB-CE 4.44Å; I203-M221 HydrophobicContact CG1-CE 3.53Å
204A95.6Very high92.5Very high84 Ų8475.7 Ų75.769%0.69441%0.405SS*.Hα-helixtrans-61.8-25.1-177.200000113.3D200 D201 A202D200-A204 PolarHBondContact O-N 3.06Å; D200-A204 VanDerWaalsContact O-N 3.11Å; D201-A204 PolarHBondContact O-N 3.08Å; A202-A204 VanDerWaalsContact C-N 3.29Å; A202-A204 PolarHBondContact O-N 3.27Å
205E94.7Very high92.2Very high81 Ų8180.8 Ų80.838%0.37943%0.426SS..Hα-helixtrans-115.45.1-178.2-66.9-174.3-156.200113.4P165 T166 A202 I203 D207 T208P165-E205 WeakPolarHBondContact CD-OE2 3.35Å; T166-E205 HydrophobicContact CG2-CB 3.77Å; A202-E205 PolarHBondContact O-N 3.39Å; I203-E205 PolarHBondContact O-N 3.18Å; E205-D207 VanDerWaalsContact C-N 3.26Å; E205-D207 PolarHBondContact O-N 2.98Å; E205-T208 WeakPolarHBondContact O-CB 3.31Å; E205-T208 PolarHBondContact O-N 2.8Å; E205-T208 PolarHBondContact O-OG1 3.42Å
206L91.1Very high91.9Very high37 Ų3781.9 Ų81.919%0.19443%0.431CS..G310 helixtrans-58.4-37.5-172.7-171.473.9000112.7A202 I203 T208 L209 Y214 T218 M221A202-L206 WeakPolarHBondContact O-CA 3.46Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 PolarHBondContact O-N 2.85Å; I203-L206 PolarHBondContact O-N 3.04Å; L206-T208 PolarHBondContact O-N 3.2Å; L206-T208 VanDerWaalsContact O-N 3.07Å; L206-L209 HydrophobicContact CD1-CD1 3.48Å; L206-L209 VanDerWaalsContact CD1-CD1 3.48Å; L206-L209 HydrophobicContact CG-CD1 4.38Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.27Å; L206-Y214 HydrophobicContact CG-CE2 4.49Å; L206-T218 HydrophobicContact CD1-CG2 4.05Å; L206-M221 HydrophobicContact CD1-CE 4.06Å; L206-M221 HydrophobicContact CD1-SD 3.67Å
207D89.7Confident91.7Very high168 Ų16876.2 Ų76.290%0.89841%0.407SS*.G310 helixtrans-65.4-10.6179.8-68.6-23.9000113.4E205E205-D207 VanDerWaalsContact C-N 3.26Å; E205-D207 PolarHBondContact O-N 2.98Å
208T86.7Confident91.5Very high104 Ų10476.1 Ų76.164%0.63840%0.402SS*.G310 helixtrans-94.4-6.1179.472.90000113.8E205 L206E205-T208 WeakPolarHBondContact O-CB 3.31Å; E205-T208 PolarHBondContact O-N 2.8Å; E205-T208 PolarHBondContact O-OG1 3.42Å; L206-T208 PolarHBondContact O-N 3.2Å; L206-T208 VanDerWaalsContact O-N 3.07Å
209L85.8Confident91.4Very high32 Ų3277.7 Ų77.717%0.16841%0.408CS..  trans-67.1143.4-176.2-86.2164.9000113T166 L206 Y214T166-L209 HydrophobicContact CG2-CD1 4.14Å; T166-L209 HydrophobicContact CG2-CG 4.11Å; L206-L209 HydrophobicContact CD1-CD1 3.48Å; L206-L209 VanDerWaalsContact CD1-CD1 3.48Å; L206-L209 HydrophobicContact CG-CD1 4.38Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.27Å; L209-Y214 HydrophobicContact CB-CD2 4.18Å; L209-Y214 HydrophobicContact CD1-CD2 4.38Å
210S84.2Confident91.3Very high62 Ų6276 Ų7643%0.43440%0.4SS..  trans-71.7155.4166.266.10000110.8E212 S213 Y214S210-E212 PolarHBondContact O-N 3.02Å; S210-S213 PolarHBondContact O-N 3.43Å; S210-S213 PolarHBondContact OG-N 3.14Å; S210-Y214 WeakPolarHBondContact O-CB 3.48Å; S210-Y214 PolarHBondContact O-N 2.9Å
211E83.9Confident91.3Very high190 Ų19072.8 Ų72.889%0.88838%0.383SS*.Hα-helixtrans-58.3-33.3176-168.9175.6-17700112.3
212E82.1Confident91.2Very high176 Ų17672 Ų7282%0.82238%0.376SS*.Hα-helixtrans-64.9-43.3179.9-173.8174.8-166.900112.7S210S210-E212 PolarHBondContact O-N 3.02Å
213S86Confident91.2Very high35 Ų3572.1 Ų72.125%0.24538%0.377CS..Hα-helixtrans-88.7-17.7179.8-57.20000113.4S210 K215 D216 S217S210-S213 PolarHBondContact O-N 3.43Å; S210-S213 PolarHBondContact OG-N 3.14Å; S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 2.95Å; S213-D216 PolarHBondContact O-N 3.27Å; S213-S217 WeakPolarHBondContact O-CB 3.34Å; S213-S217 PolarHBondContact O-N 2.95Å; S213-S217 PolarHBondContact O-OG 3.48Å; S213-S217 VanDerWaalsContact O-OG 3.13Å
214Y89Confident91.3Very high119 Ų11968.1 Ų68.147%0.46736%0.356SS..Hα-helixtrans-56.3-45-173.4-170.4-91.8000112.7L206 L209 S210 T218L206-Y214 HydrophobicContact CG-CE2 4.49Å; L209-Y214 HydrophobicContact CB-CD2 4.18Å; L209-Y214 HydrophobicContact CD1-CD2 4.38Å; S210-Y214 WeakPolarHBondContact O-CB 3.48Å; S210-Y214 PolarHBondContact O-N 2.9Å; Y214-T218 HydrophobicContact CD1-CG2 4.08Å; Y214-T218 HydrophobicContact CD2-CG2 4.4Å; Y214-T218 HydrophobicContact CE1-CG2 3.81Å; Y214-T218 HydrophobicContact CE2-CG2 4.15Å; Y214-T218 HydrophobicContact CG-CG2 4.37Å; Y214-T218 WeakPolarHBondContact O-CB 3.33Å; Y214-T218 VanDerWaalsContact O-CG2 3.24Å; Y214-T218 WeakPolarHBondContact O-CG2 3.01Å; Y214-T218 PolarHBondContact O-N 3.42Å; Y214-T218 PolarHBondContact O-OG1 3.39Å
215K90.9Very high91.3Very high151 Ų15169.7 Ų69.766%0.65734%0.344SS*.Hα-helixtrans-62.6-50.1-178.1-174.4-169.7171.8-158.60111.7S213 T218 L219S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 2.95Å; K215-T218 PolarHBondContact O-OG1 3.5Å; K215-L219 WeakPolarHBondContact O-CB 3.37Å; K215-L219 PolarHBondContact O-N 3.5Å; K215-L219 VanDerWaalsContact O-N 3.08Å
216D91.4Very high91.4Very high22 Ų2268.4 Ų68.412%0.11834%0.34CS..Hα-helixtrans-70.1-44.5-175.8-67.5-9.9000110.7P168 S213 T218 L219 I220 V259 S260P168-D216 HydrophobicContact CB-CB 4.1Å; P168-D216 HydrophobicContact CG-CB 4.01Å; S213-D216 PolarHBondContact O-N 3.27Å; D216-T218 PolarHBondContact O-N 2.96Å; D216-L219 PolarHBondContact O-N 3.13Å; D216-I220 VanDerWaalsContact O-CG1 3.27Å; D216-I220 WeakPolarHBondContact O-CG1 3.45Å; D216-I220 PolarHBondContact O-N 3.35Å; D216-V259 HydrophobicContact CB-CG1 4.19Å; D216-S260 PolarHBondContact OD2-OG 3.33Å
217S94.2Very high91.6Very high0 Ų066.8 Ų66.80%033%0.332CS..Hα-helixtrans-61.9-45.2178.2-62.50000112.4T166 P168 S213 L219 I220 M221T166-S217 WeakPolarHBondContact O-CB 3.34Å; T166-S217 PolarHBondContact O-OG 3.48Å; P168-S217 WeakPolarHBondContact CD-OG 3.48Å; P168-S217 WeakPolarHBondContact CG-OG 3.4Å; S213-S217 WeakPolarHBondContact O-CB 3.34Å; S213-S217 PolarHBondContact O-N 2.95Å; S213-S217 PolarHBondContact O-OG 3.48Å; S213-S217 VanDerWaalsContact O-OG 3.13Å; S217-L219 PolarHBondContact O-N 3.21Å; S217-I220 PolarHBondContact O-N 2.97Å; S217-M221 WeakPolarHBondContact O-CB 3.27Å; S217-M221 VanDerWaalsContact O-CG 3.23Å; S217-M221 WeakPolarHBondContact O-CG 3.5Å; S217-M221 PolarHBondContact O-N 3.49Å
218T94.7Very high91.8Very high43 Ų4360 Ų6026%0.26430%0.295SS..Hα-helixtrans-68.3-35179.953.90000112.5L206 Y214 K215 D216 M221 Q222L206-T218 HydrophobicContact CD1-CG2 4.05Å; Y214-T218 HydrophobicContact CD1-CG2 4.08Å; Y214-T218 HydrophobicContact CD2-CG2 4.4Å; Y214-T218 HydrophobicContact CE1-CG2 3.81Å; Y214-T218 HydrophobicContact CE2-CG2 4.15Å; Y214-T218 HydrophobicContact CG-CG2 4.37Å; Y214-T218 WeakPolarHBondContact O-CB 3.33Å; Y214-T218 VanDerWaalsContact O-CG2 3.24Å; Y214-T218 WeakPolarHBondContact O-CG2 3.01Å; Y214-T218 PolarHBondContact O-N 3.42Å; Y214-T218 PolarHBondContact O-OG1 3.39Å; K215-T218 PolarHBondContact O-OG1 3.5Å; D216-T218 PolarHBondContact O-N 2.96Å; T218-M221 PolarHBondContact O-N 2.97Å; T218-Q222 WeakPolarHBondContact O-CB 3.44Å; T218-Q222 PolarHBondContact O-N 3.22Å
219L94.7Very high92.2Very high51 Ų5159.3 Ų59.327%0.26729%0.291SS..Hα-helixtrans-60.9-47.8171.7178.257.2000110.8K215 D216 S217 M221 Q222 L223 V259K215-L219 WeakPolarHBondContact O-CB 3.37Å; K215-L219 PolarHBondContact O-N 3.5Å; K215-L219 VanDerWaalsContact O-N 3.08Å; D216-L219 PolarHBondContact O-N 3.13Å; S217-L219 PolarHBondContact O-N 3.21Å; L219-M221 PolarHBondContact O-N 3.43Å; L219-Q222 WeakPolarHBondContact O-CB 3.27Å; L219-Q222 PolarHBondContact O-N 2.98Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 3.29Å; L219-L223 VanDerWaalsContact O-N 3.15Å; L219-V259 HydrophobicContact CD2-CG2 3.85Å; L219-V259 HydrophobicContact CG-CG2 4.25Å
220I96.4Very high92.5Very high1 Ų158.5 Ų58.51%0.00529%0.287CS..Hα-helixtrans-65.6-39.8178.9-57.4163000111.7P168 L171 L175 D216 S217 Q222 L223 L224 V259P168-I220 HydrophobicContact CB-CD1 4Å; P168-I220 WeakPolarHBondContact O-CD1 3.44Å; L171-I220 HydrophobicContact CB-CB 4.1Å; L171-I220 HydrophobicContact CB-CD1 4.08Å; L171-I220 HydrophobicContact CB-CG2 3.66Å; L175-I220 HydrophobicContact CB-CG2 4.21Å; L175-I220 HydrophobicContact CD2-CG2 4.11Å; D216-I220 VanDerWaalsContact O-CG1 3.27Å; D216-I220 WeakPolarHBondContact O-CG1 3.45Å; D216-I220 PolarHBondContact O-N 3.35Å; S217-I220 PolarHBondContact O-N 2.97Å; I220-Q222 VanDerWaalsContact C-N 3.26Å; I220-Q222 PolarHBondContact O-N 3.42Å; I220-L223 WeakPolarHBondContact O-CB 3.43Å; I220-L223 PolarHBondContact O-N 3.09Å; I220-L224 PolarHBondContact O-N 2.84Å; I220-V259 HydrophobicContact CD1-CG1 3.64Å; I220-V259 HydrophobicContact CG1-CG1 3.7Å; I220-V259 HydrophobicContact CG1-CG2 4.15Å
221M96.6Very high93Very high10 Ų1055.6 Ų55.65%0.04927%0.266CS..Hα-helixtrans-61.6-36.7175.6-72.2171.471.400111.9L171 F199 A202 I203 L206 S217 T218 L219 L224 R225L171-M221 HydrophobicContact CD1-CG 3.92Å; L171-M221 HydrophobicContact CD1-SD 4.31Å; L171-M221 HydrophobicContact CD2-CG 4Å; F199-M221 HydrophobicContact CD2-CB 4.13Å; F199-M221 WeakPolarHBondContact CD2-O 3.47Å; F199-M221 HydrophobicContact CE2-CB 4.1Å; F199-M221 HydrophobicContact CE2-CE 4.47Å; F199-M221 VanDerWaalsContact CE2-O 3.28Å; F199-M221 WeakPolarHBondContact CE2-O 3.43Å; A202-M221 HydrophobicContact CB-CE 3.88Å; A202-M221 HydrophobicContact CB-CG 4.32Å; A202-M221 HydrophobicContact CB-SD 3.85Å; I203-M221 HydrophobicContact CB-CE 4.44Å; I203-M221 HydrophobicContact CG1-CE 3.53Å; L206-M221 HydrophobicContact CD1-CE 4.06Å; L206-M221 HydrophobicContact CD1-SD 3.67Å; S217-M221 WeakPolarHBondContact O-CB 3.27Å; S217-M221 VanDerWaalsContact O-CG 3.23Å; S217-M221 WeakPolarHBondContact O-CG 3.5Å; S217-M221 PolarHBondContact O-N 3.49Å; T218-M221 PolarHBondContact O-N 2.97Å; L219-M221 PolarHBondContact O-N 3.43Å; M221-L224 PolarHBondContact O-N 3.11Å; M221-R225 PolarHBondContact O-N 2.97Å
222Q96.1Very high93.3Very high61 Ų6149.1 Ų49.129%0.28524%0.24SC..Hα-helixtrans-60.9-47173.1176.658.138.400111.1T218 L219 I220 L224 R225 D226T218-Q222 WeakPolarHBondContact O-CB 3.44Å; T218-Q222 PolarHBondContact O-N 3.22Å; L219-Q222 WeakPolarHBondContact O-CB 3.27Å; L219-Q222 PolarHBondContact O-N 2.98Å; I220-Q222 VanDerWaalsContact C-N 3.26Å; I220-Q222 PolarHBondContact O-N 3.42Å; Q222-L224 PolarHBondContact O-N 3.06Å; Q222-R225 WeakPolarHBondContact O-CB 3.44Å; Q222-R225 PolarHBondContact O-N 3.47Å; Q222-R225 VanDerWaalsContact OE1-NH1 3.17Å; Q222-D226 PolarHBondContact NE2-OD1 2.78Å; Q222-D226 PolarHBondContact NE2-OD2 3.47Å; Q222-D226 PolarHBondContact O-N 2.95Å
223L96.6Very high93.6Very high3 Ų343.4 Ų43.42%0.01622%0.22CC..Hα-helixtrans-61.8-41.6177.1-56.6171.8000112.3L175 L219 I220 R225 D226 N227 Q252 Q257L175-L223 HydrophobicContact CD1-CB 4.16Å; L175-L223 HydrophobicContact CD2-CB 3.62Å; L175-L223 HydrophobicContact CD2-CD1 3.59Å; L175-L223 HydrophobicContact CD2-CG 4.26Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 3.29Å; L219-L223 VanDerWaalsContact O-N 3.15Å; I220-L223 WeakPolarHBondContact O-CB 3.43Å; I220-L223 PolarHBondContact O-N 3.09Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 3.24Å; L223-D226 PolarHBondContact O-N 2.84Å; L223-N227 WeakPolarHBondContact O-CB 3.15Å; L223-N227 PolarHBondContact O-N 3.27Å; L223-Q252 HydrophobicContact CD2-CB 4.22Å; L223-Q257 HydrophobicContact CD1-CB 4.07Å; L223-Q257 HydrophobicContact CD1-CG 3.68Å; L223-Q257 HydrophobicContact CD2-CG 3.7Å; L223-Q257 HydrophobicContact CG-CG 4.32Å
224L97.2Very high93.5Very high0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-57.6-45174.4-79.5168.8000111.5L171 L175 A195 A198 F199 I220 M221 Q222 L228L171-L224 HydrophobicContact CD2-CD1 4Å; L175-L224 HydrophobicContact CB-CD2 3.94Å; L175-L224 HydrophobicContact CB-CG 4.22Å; L175-L224 HydrophobicContact CD1-CD2 3.95Å; L175-L224 HydrophobicContact CD1-CG 4.19Å; A195-L224 HydrophobicContact CB-CD2 3.77Å; A198-L224 HydrophobicContact CB-CD1 4.36Å; F199-L224 HydrophobicContact CD2-CB 4.36Å; I220-L224 PolarHBondContact O-N 2.84Å; M221-L224 PolarHBondContact O-N 3.11Å; Q222-L224 PolarHBondContact O-N 3.06Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.22Å
225R96.4Very high93.2Very high117 Ų11741.4 Ų41.444%0.44221%0.213SC..Hα-helixtrans-65.4-41.3178.4-170.7-172.373.6-162.85112.2F199 M221 Q222 L223 L228 T229F199-R225 HydrophobicContact CD2-CB 4.43Å; F199-R225 HydrophobicContact CE2-CB 3.87Å; F199-R225 HydrophobicContact CE2-CG 4.47Å; F199-R225 HydrophobicContact CZ-CB 4.2Å; F199-R225 HydrophobicContact CZ-CG 4.3Å; M221-R225 PolarHBondContact O-N 2.97Å; Q222-R225 WeakPolarHBondContact O-CB 3.44Å; Q222-R225 PolarHBondContact O-N 3.47Å; Q222-R225 VanDerWaalsContact OE1-NH1 3.17Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 3.24Å; R225-L228 PolarHBondContact O-N 3.01Å; R225-T229 PolarHBondContact O-N 3.43Å; R225-T229 PolarHBondContact O-OG1 3.25Å
226D95.8Very high92.6Very high55 Ų5540.8 Ų40.829%0.29421%0.212SC..Hα-helixtrans-67.5-44.9-178.2-65.1-10000110.1Q222 L223 L228 T229 L230Q222-D226 PolarHBondContact NE2-OD1 2.78Å; Q222-D226 PolarHBondContact NE2-OD2 3.47Å; Q222-D226 PolarHBondContact O-N 2.95Å; L223-D226 PolarHBondContact O-N 2.84Å; D226-L228 PolarHBondContact O-N 3.47Å; D226-T229 WeakPolarHBondContact O-CB 3.33Å; D226-T229 PolarHBondContact O-N 2.99Å; D226-T229 VanDerWaalsContact O-N 3.15Å; D226-L230 PolarHBondContact O-N 3.07Å
227N94.9Very high91.6Very high3 Ų342.4 Ų42.42%0.01623%0.229CC..Hα-helixtrans-60.1-43.5172-80-6.1000113.1L175 L223 T229 L230 W231 Q252L175-N227 WeakPolarHBondContact CD1-ND2 3.45Å; L223-N227 WeakPolarHBondContact O-CB 3.15Å; L223-N227 PolarHBondContact O-N 3.27Å; N227-T229 PolarHBondContact O-N 3.45Å; N227-L230 PolarHBondContact O-N 3.25Å; N227-W231 HydrophobicContact CB-CD2 4.25Å; N227-W231 HydrophobicContact CB-CE3 4.19Å; N227-W231 HydrophobicContact CB-CH2 3.68Å; N227-W231 HydrophobicContact CB-CZ2 3.73Å; N227-W231 HydrophobicContact CB-CZ3 3.91Å; N227-W231 WeakPolarHBondContact O-CB 3.42Å; N227-W231 PolarHBondContact O-N 2.97Å; N227-Q252 PolarHBondContact ND2-O 3.49Å; N227-Q252 PolarHBondContact OD1-N 3.44Å; N227-Q252 VanDerWaalsContact OD1-N 3.09Å
228L95.1Very high89.7Confident25 Ų2550 Ų5013%0.13126%0.264CS..Hα-helixtrans-58.6-38.7175.6-81.7168.4000112.1C192 A195 K196 L224 R225 D226 T232C192-L228 HydrophobicContact CB-CD2 4.04Å; C192-L228 WeakPolarHBondContact O-CD2 3.37Å; A195-L228 HydrophobicContact CB-CD1 4.2Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.83Å; K196-L228 HydrophobicContact CB-CD1 4.22Å; K196-L228 HydrophobicContact CB-CD2 4.14Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.22Å; R225-L228 PolarHBondContact O-N 3.01Å; D226-L228 PolarHBondContact O-N 3.47Å; L228-T232 WeakPolarHBondContact O-CB 3.5Å; L228-T232 PolarHBondContact O-N 3.17Å; L228-T232 PolarHBondContact O-OG1 3.31Å
229T94.4Very high87.5Confident90 Ų9052.7 Ų52.755%0.55228%0.277SS*.Hα-helixtrans-65.2-51.4178.1-56.60000110.1R225 D226 N227 W231 T232 S233R225-T229 PolarHBondContact O-N 3.43Å; R225-T229 PolarHBondContact O-OG1 3.25Å; D226-T229 WeakPolarHBondContact O-CB 3.33Å; D226-T229 PolarHBondContact O-N 2.99Å; D226-T229 VanDerWaalsContact O-N 3.15Å; N227-T229 PolarHBondContact O-N 3.45Å; T229-W231 PolarHBondContact O-N 3.18Å; T229-T232 PolarHBondContact O-N 3.28Å; T229-S233 PolarHBondContact O-N 3.23Å; T229-S233 PolarHBondContact O-OG 3.02Å
230L92Very high85.3Confident15 Ų1556.3 Ų56.38%0.07930%0.303CS..Hα-helixtrans-57-50.5178.8178.260.5000112.3D226 N227 T232 S233 D234 E249 I251D226-L230 PolarHBondContact O-N 3.07Å; N227-L230 PolarHBondContact O-N 3.25Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 3.12Å; L230-S233 WeakPolarHBondContact CA-OG 3.36Å; L230-S233 PolarHBondContact O-N 2.79Å; L230-S233 PolarHBondContact O-OG 2.9Å; L230-D234 PolarHBondContact O-N 3.11Å; L230-E249 HydrophobicContact CD1-CB 3.81Å; L230-E249 HydrophobicContact CD1-CG 4.33Å; L230-E249 HydrophobicContact CD2-CB 4.12Å; L230-I251 HydrophobicContact CD2-CG1 3.78Å
231W93.8Very high82.9Confident0 Ų063.6 Ų63.60%034%0.342CS..Hα-helixtrans-69.3-31.8-177.7-57.7-25.2000112.5S178 V179 Y182 A191 A195 N227 T229 D234 M235 I251S178-W231 VanDerWaalsContact OG-CH2 3.32Å; S178-W231 WeakPolarHBondContact OG-CH2 3.44Å; V179-W231 HydrophobicContact CG2-CH2 4.15Å; V179-W231 HydrophobicContact CG2-CZ2 4.03Å; Y182-W231 AromaticContact CD1-NE1 3.79Å; Y182-W231 HydrophobicContact CD2-CB 4Å; Y182-W231 AromaticContact CD2-CD1 3.24Å; Y182-W231 AromaticContact CD2-CD2 3.75Å; Y182-W231 HydrophobicContact CD2-CD2 3.75Å; Y182-W231 AromaticContact CD2-CE2 3.79Å; Y182-W231 AromaticContact CD2-CG 3.38Å; Y182-W231 HydrophobicContact CD2-CG 3.38Å; Y182-W231 AromaticContact CD2-NE1 3.46Å; Y182-W231 HydrophobicContact CE2-CB 3.83Å; Y182-W231 AromaticContact CE2-CD1 3.07Å; Y182-W231 HydrophobicContact CE2-CD2 4.31Å; Y182-W231 AromaticContact CE2-CG 3.47Å; Y182-W231 HydrophobicContact CE2-CG 3.47Å; Y182-W231 VanDerWaalsContact CE2-CG 3.47Å; Y182-W231 AromaticContact CE2-NE1 3.68Å; Y182-W231 AromaticContact CG-CD1 3.81Å; Y182-W231 HydrophobicContact CG-CD2 4.22Å; Y182-W231 AromaticContact CG-CE2 3.79Å; Y182-W231 HydrophobicContact CG-CG 4.2Å; Y182-W231 HydrophobicContact CG-CZ2 4.34Å; Y182-W231 AromaticContact CG-NE1 3.51Å; Y182-W231 AromaticContact CZ-CD1 3.54Å; Y182-W231 AromaticContact CZ-NE1 3.95Å; A191-W231 HydrophobicContact CB-CE3 4.02Å; A191-W231 HydrophobicContact CB-CH2 4.42Å; A191-W231 HydrophobicContact CB-CZ3 3.93Å; A195-W231 HydrophobicContact CB-CZ3 4.12Å; N227-W231 HydrophobicContact CB-CD2 4.25Å; N227-W231 HydrophobicContact CB-CE3 4.19Å; N227-W231 HydrophobicContact CB-CH2 3.68Å; N227-W231 HydrophobicContact CB-CZ2 3.73Å; N227-W231 HydrophobicContact CB-CZ3 3.91Å; N227-W231 WeakPolarHBondContact O-CB 3.42Å; N227-W231 PolarHBondContact O-N 2.97Å; T229-W231 PolarHBondContact O-N 3.18Å; W231-D234 PolarHBondContact O-N 3.3Å; W231-M235 WeakPolarHBondContact O-CE 3.42Å; W231-M235 WeakPolarHBondContact O-CG 3.46Å; W231-M235 PolarHBondContact O-N 3.28Å; W231-M235 VanDerWaalsContact O-N 3.12Å; W231-I251 HydrophobicContact CZ2-CG2 3.78Å
232T90.6Very high80.4Confident54 Ų5466.2 Ų66.233%0.33137%0.365SS..Hα-helixtrans-71.3-36.1176.2-57.90000111.6L228 T229 L230 Q236L228-T232 WeakPolarHBondContact O-CB 3.5Å; L228-T232 PolarHBondContact O-N 3.17Å; L228-T232 PolarHBondContact O-OG1 3.31Å; T229-T232 PolarHBondContact O-N 3.28Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 3.12Å; T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.48Å; T232-Q236 PolarHBondContact O-N 2.92Å
233S88.5Confident77.6Confident57 Ų5766.8 Ų66.840%0.39939%0.388SS..Hα-helixtrans-67.1-41.1172.146.90000112.2T229 L230 M235 Q236 A237T229-S233 PolarHBondContact O-N 3.23Å; T229-S233 PolarHBondContact O-OG 3.02Å; L230-S233 WeakPolarHBondContact CA-OG 3.36Å; L230-S233 PolarHBondContact O-N 2.79Å; L230-S233 PolarHBondContact O-OG 2.9Å; S233-M235 VanDerWaalsContact C-N 3.35Å; S233-M235 PolarHBondContact O-N 3.43Å; S233-Q236 PolarHBondContact O-N 2.87Å; S233-A237 WeakPolarHBondContact O-CB 3.42Å; S233-A237 PolarHBondContact O-N 2.76Å
234D84.7Confident75Confident35 Ų3574.5 Ų74.519%0.18743%0.429CS..Hα-helixtrans-60.1-45.4177.6-70.6-19.4000111.5Y182 L230 W231 Q236 A237 E238Y182-D234 PolarHBondContact OH-OD2 2.88Å; L230-D234 PolarHBondContact O-N 3.11Å; W231-D234 PolarHBondContact O-N 3.3Å; D234-Q236 PolarHBondContact O-N 3.01Å; D234-A237 PolarHBondContact O-N 3.24Å; D234-E238 PolarHBondContact O-N 3.44Å
235M81.9Confident72.4Confident76 Ų7678.5 Ų78.537%0.37447%0.47SS..Hα-helixtrans-63.6-23.6176.9-71.8-174.7-6400113.3P188 C192 W231 S233P188-M235 HydrophobicContact CB-CG 4.12Å; P188-M235 HydrophobicContact CB-SD 3.92Å; P188-M235 HydrophobicContact CG-CG 4.35Å; P188-M235 HydrophobicContact CG-SD 4.3Å; C192-M235 HydrophobicContact CB-CE 4.47Å; C192-M235 WeakPolarHBondContact SG-CE 3.5Å; W231-M235 WeakPolarHBondContact O-CE 3.42Å; W231-M235 WeakPolarHBondContact O-CG 3.46Å; W231-M235 PolarHBondContact O-N 3.28Å; W231-M235 VanDerWaalsContact O-N 3.12Å; S233-M235 VanDerWaalsContact C-N 3.35Å; S233-M235 PolarHBondContact O-N 3.43Å
236Q79.4Confident69.6Low139 Ų13981.3 Ų81.365%0.6549%0.488SS*.Hα-helixtrans-86.8-32.6174.7-69.9173.621.900112.3T232 S233 D234 E238 D239T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.48Å; T232-Q236 PolarHBondContact O-N 2.92Å; S233-Q236 PolarHBondContact O-N 2.87Å; D234-Q236 PolarHBondContact O-N 3.01Å; Q236-E238 VanDerWaalsContact C-N 3.32Å; Q236-D239 WeakPolarHBondContact O-CB 3.31Å; Q236-D239 PolarHBondContact O-N 3.34Å
237A69.5Low67.2Low56 Ų5684.5 Ų84.546%0.46351%0.512SS..Hα-helixtrans-74.4-20.7177.300000113.1S233 D234 D239 A242S233-A237 WeakPolarHBondContact O-CB 3.42Å; S233-A237 PolarHBondContact O-N 2.76Å; D234-A237 PolarHBondContact O-N 3.24Å; A237-D239 PolarHBondContact O-N 3.49Å; A237-D239 VanDerWaalsContact O-N 3.16Å; A237-A242 WeakPolarHBondContact O-CB 3.22Å
238E55.1Low65.3Low160 Ų16091.9 Ų91.975%0.74854%0.544SS*.THydrogen-bonded Turntrans-704168.3-71.2-175.7177.100113.6D234 Q236 P240D234-E238 PolarHBondContact O-N 3.44Å; Q236-E238 VanDerWaalsContact C-N 3.32Å; E238-P240 WeakPolarHBondContact O-CD 3.5Å
239D47.5Very low63.8Low99 Ų9997.4 Ų97.453%0.52957%0.569SS.*SBendtrans-66121.3161.7-170.7-17.5000109.2Q236 A237 N241 A242Q236-D239 WeakPolarHBondContact O-CB 3.31Å; Q236-D239 PolarHBondContact O-N 3.34Å; A237-D239 PolarHBondContact O-N 3.49Å; A237-D239 VanDerWaalsContact O-N 3.16Å; D239-N241 PolarHBondContact O-N 3.05Å; D239-A242 PolarHBondContact O-N 3.44Å
240P48.4Very low62.8Low126 Ų126101 Ų10182%0.81858%0.58SS**THydrogen-bonded Turntrans-58.95.6-170.418.5-32000117.6E238E238-P240 WeakPolarHBondContact O-CD 3.5Å
241N46.5Very low62.4Low154 Ų154101.2 Ų101.282%0.82458%0.581SS**THydrogen-bonded Turntrans-103.4-1.9172.3-77.6-30.7000115.2D239 G243D239-N241 PolarHBondContact O-N 3.05Å; N241-G243 PolarHBondContact O-N 3.38Å
242A44.1Very low61.9Low65 Ų65104 Ų10454%0.53759%0.594SS.*  trans-88.1108.2174.100000110.6A237 D239A237-A242 WeakPolarHBondContact O-CB 3.22Å; D239-A242 PolarHBondContact O-N 3.44Å
243G36.4Very low61.7Low73 Ų73101.6 Ų101.675%0.75358%0.579SS**  trans-75.6150.4178.900000113.5N241N241-G243 PolarHBondContact O-N 3.38Å
244D43.5Very low61.4Low165 Ų16599.8 Ų99.888%0.88257%0.565SS**SBendtrans38.8101.3171.5-80.5-24.7000117E246D244-E246 PolarHBondContact O-N 3.37Å
245G41.2Very low60.8Low84 Ų8499.4 Ų99.487%0.86656%0.563SS**PPolyproline II helixtrans-56.8120.7177.100000112.8
246E37.6Very low60Low176 Ų17699.2 Ų99.282%0.82256%0.563SS**PPolyproline II helixtrans-56.4152.6159.8-71.3-176.8158.100109.7D244 K248D244-E246 PolarHBondContact O-N 3.37Å; E246-K248 PolarHBondContact O-N 3.02Å; E246-K248 VanDerWaalsContact O-N 3.08Å
247P45Very low59.6Low123 Ų12395.4 Ų95.480%0.79955%0.545SS*.PPolyproline II helixtrans-54.7122.417321.5-30.5000108.9E249P247-E249 PolarHBondContact O-N 3.3Å
248K55Low58.9Low157 Ų157100 Ų10068%0.68356%0.562SS**PPolyproline II helixtrans-48.5119.1176.2-67.4-167.8173.8-159.90108.7E246E246-K248 PolarHBondContact O-N 3.02Å; E246-K248 VanDerWaalsContact O-N 3.08Å
249E65.6Low59.2Low142 Ų14293.4 Ų93.466%0.66453%0.533SS*.PPolyproline II helixtrans-55.3148.2172.9-68.1-171.9151.300109.1L230 P247 I251L230-E249 HydrophobicContact CD1-CB 3.81Å; L230-E249 HydrophobicContact CD1-CG 4.33Å; L230-E249 HydrophobicContact CD2-CB 4.12Å; P247-E249 PolarHBondContact O-N 3.3Å; E249-I251 PolarHBondContact O-N 3.17Å
250Q72.4Confident59.4Low165 Ų16592.8 Ų92.877%0.77154%0.536SS*.PPolyproline II helixtrans-68.5119.6179.8-75.8-178.8-0.100109.6Q252Q250-Q252 PolarHBondContact O-N 3.28Å
251I82.9Confident59.9Low20 Ų2091.1 Ų91.110%0.10352%0.522CS..PPolyproline II helixtrans-63.7131.7170.9-64.8168.8000108.1V179 Y182 E183 L230 W231 E249V179-I251 HydrophobicContact CB-CG2 4.33Å; V179-I251 HydrophobicContact CG1-CG2 3.88Å; V179-I251 HydrophobicContact CG2-CG2 3.69Å; Y182-I251 HydrophobicContact CD1-CD1 3.31Å; Y182-I251 HydrophobicContact CE1-CD1 3.29Å; Y182-I251 HydrophobicContact CG-CD1 4.27Å; E183-I251 HydrophobicContact CG-CD1 3.73Å; L230-I251 HydrophobicContact CD2-CG1 3.78Å; W231-I251 HydrophobicContact CZ2-CG2 3.78Å; E249-I251 PolarHBondContact O-N 3.17Å
252Q84.3Confident60.6Low59 Ų5987.8 Ų87.828%0.27651%0.506SS..PPolyproline II helixtrans-97131.4-175.3-62.7178-1100110L223 N227 Q250L223-Q252 HydrophobicContact CD2-CB 4.22Å; N227-Q252 PolarHBondContact ND2-O 3.49Å; N227-Q252 PolarHBondContact OD1-N 3.44Å; N227-Q252 VanDerWaalsContact OD1-N 3.09Å; Q250-Q252 PolarHBondContact O-N 3.28Å
253D85.3Confident61.6Low2 Ų289.1 Ų89.11%0.01150%0.504CS..  trans-117.8174.7167.365.732.6000110.5R57 R130 V179 E255 D256R57-D253 IonicContact NH1-OD2 2.73Å; R57-D253 IonicContact NH2-OD2 3.24Å; R57-D253 PolarHBondContact NH2-OD2 3.25Å; R130-D253 IonicContact CZ-OD2 3.86Å; R130-D253 IonicContact NH1-OD2 3.12Å; R130-D253 PolarHBondContact NH1-OD2 3.41Å; R130-D253 IonicContact NH2-OD2 3.65Å; R130-D253 PolarHBondContact NH2-OD2 2.93Å; V179-D253 HydrophobicContact CG2-CB 4.21Å; D253-E255 VanDerWaalsContact CG-OE2 3.26Å; D253-E255 PolarHBondContact O-N 2.97Å; D253-E255 VanDerWaalsContact O-N 3.13Å; D253-E255 WeakPolarHBondContact OD1-CA 3.41Å; D253-E255 VanDerWaalsContact OD1-CB 3.31Å; D253-E255 WeakPolarHBondContact OD1-CB 3.11Å; D253-E255 PolarHBondContact OD1-N 2.93Å; D253-D256 PolarHBondContact O-N 3.07Å; D253-D256 PolarHBondContact OD1-N 2.94Å
254V82.1Confident63Low19 Ų1990 Ų9012%0.11549%0.49CS..G310 helixtrans-60.6-22.3179.7179.20000111.6K50 L175 N176 Q257 V259K50-V254 PolarHBondContact NZ-O 2.92Å; L175-V254 HydrophobicContact CB-CG2 4.37Å; L175-V254 HydrophobicContact CD2-CG2 3.75Å; L175-V254 HydrophobicContact CG-CG2 4.4Å; N176-V254 WeakPolarHBondContact OD1-CG2 3.42Å; N176-V254 PolarHBondContact OD1-N 3.39Å; V254-Q257 PolarHBondContact O-N 3.19Å; V254-V259 HydrophobicContact CG1-CB 3.93Å; V254-V259 HydrophobicContact CG1-CG1 4.47Å; V254-V259 HydrophobicContact CG1-CG2 4.21Å
255E73.6Confident64.3Low28 Ų2885.3 Ų85.313%0.13147%0.465CS..G310 helixtrans-79-24.8-175.9-53117.9-161.700112.5K50 R57 R130 Y131 N176 D253 Q257K50-E255 WeakPolarHBondContact CE-O 3.42Å; K50-E255 HydrophobicContact CG-CB 4.44Å; R57-E255 IonicContact CZ-OE2 2.71Å; R57-E255 IonicContact NH1-OE2 3.88Å; R57-E255 PolarHBondContact NH1-OE2 2.86Å; R57-E255 VanDerWaalsContact NH1-OE2 3.1Å; R130-E255 IonicContact CZ-OE2 2.64Å; R130-E255 VanDerWaalsContact NH2-CD 3.25Å; R130-E255 IonicContact NH2-OE1 2.67Å; R130-E255 PolarHBondContact NH2-OE1 3.5Å; R130-E255 IonicContact NH2-OE2 3.44Å; R130-E255 PolarHBondContact NH2-OE2 2.71Å; Y131-E255 WeakPolarHBondContact CE1-OE2 2.85Å; Y131-E255 WeakPolarHBondContact OH-CG 3.48Å; Y131-E255 PolarHBondContact OH-OE1 3.05Å; Y131-E255 PolarHBondContact OH-OE2 3.16Å; N176-E255 PolarHBondContact ND2-OE1 3.49Å; D253-E255 VanDerWaalsContact CG-OE2 3.26Å; D253-E255 PolarHBondContact O-N 2.97Å; D253-E255 VanDerWaalsContact O-N 3.13Å; D253-E255 WeakPolarHBondContact OD1-CA 3.41Å; D253-E255 VanDerWaalsContact OD1-CB 3.31Å; D253-E255 WeakPolarHBondContact OD1-CB 3.11Å; D253-E255 PolarHBondContact OD1-N 2.93Å; E255-Q257 PolarHBondContact O-N 3.27Å
256D64.6Low65.8Low72 Ų7285.4 Ų85.439%0.38544%0.438SS..G310 helixtrans-77.7-1.1175.1-64.4-33.9000112.7D253D253-D256 PolarHBondContact O-N 3.07Å; D253-D256 PolarHBondContact OD1-N 2.94Å
257Q70.2Confident67.8Low59 Ų5978.9 Ų78.928%0.27641%0.411SS..SBendtrans-134.4147-172-64.5-76.1-6.700113.1K50 L223 V254 E255 V259K50-Q257 PolarHBondContact NZ-O 3.49Å; L223-Q257 HydrophobicContact CD1-CB 4.07Å; L223-Q257 HydrophobicContact CD1-CG 3.68Å; L223-Q257 HydrophobicContact CD2-CG 3.7Å; L223-Q257 HydrophobicContact CG-CG 4.32Å; V254-Q257 PolarHBondContact O-N 3.19Å; E255-Q257 PolarHBondContact O-N 3.27Å; Q257-V259 VanDerWaalsContact C-N 3.33Å; Q257-V259 HydrophobicContact CB-CG2 4.07Å; Q257-V259 PolarHBondContact O-N 3.43Å
258D56.5Low69.6Low151 Ų15175.5 Ų75.581%0.80738%0.381SS*.  trans-7777.6177.5-71.6-29.4000112
259V59.8Low70.8Confident23 Ų2368.8 Ų68.814%0.13936%0.356CS..  trans-111.2124.9174.4-1700000109.3D216 L219 I220 V254 Q257D216-V259 HydrophobicContact CB-CG1 4.19Å; L219-V259 HydrophobicContact CD2-CG2 3.85Å; L219-V259 HydrophobicContact CG-CG2 4.25Å; I220-V259 HydrophobicContact CD1-CG1 3.64Å; I220-V259 HydrophobicContact CG1-CG1 3.7Å; I220-V259 HydrophobicContact CG1-CG2 4.15Å; V254-V259 HydrophobicContact CG1-CB 3.93Å; V254-V259 HydrophobicContact CG1-CG1 4.47Å; V254-V259 HydrophobicContact CG1-CG2 4.21Å; Q257-V259 VanDerWaalsContact C-N 3.33Å; Q257-V259 HydrophobicContact CB-CG2 4.07Å; Q257-V259 PolarHBondContact O-N 3.43Å
260S52.1Low71.3Confident85 Ų8562.1 Ų62.159%0.59433%0.328SS*.  trans-80.60179.822.30000115.7N43 D216N43-S260 PolarHBondContact ND2-OXT 3.32Å; D216-S260 PolarHBondContact OD2-OG 3.33Å

Retrieved 260 of 260 residues in 635 ms (Link to these results)

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