A0A093H3B1_STRCA Loading...

S-phase kinase-associated protein 1

Essential component of the SCF (SKP1-CUL1-F-box protein) ubiquitin ligase complex, which mediates the ubiquitination of proteins involved in cell cycle progression, signal transduction and transcription. In the SCF complex, serves as an adapter that links the F-box protein to CUL1.

AlphaFold DB (Q4R5B9), UniProt , Accession A0A093H3B1, Species STRCA (Struthio camelus australis), Gene n/a, Length 163 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.7Low92.5Very high174 Ų17459.4 Ų59.486%0.85734%0.342SS*.  0142.70-65.8-163.1-74.700106.2D17M1-D17 WeakPolarHBondContact CB-OD2 3.35Å; M1-D17 VanDerWaalsContact CE-OD2 3.24Å; M1-D17 WeakPolarHBondContact CE-OD2 3.3Å
2P86.2Confident93Very high60 Ų6063.3 Ų63.339%0.3936%0.355SS..  trans-61.1139.8-179.226.6-33000109.7V18P2-V18 HydrophobicContact CB-CB 4.47Å; P2-V18 HydrophobicContact CB-CG2 3.84Å; P2-V18 HydrophobicContact CG-CB 4.09Å; P2-V18 HydrophobicContact CG-CG2 3.99Å; P2-V18 WeakPolarHBondContact O-CG2 3.42Å; P2-V18 PolarHBondContact O-N 3.22Å
3S90.2Very high93.3Very high59 Ų5965.3 Ų65.341%0.41336%0.363SS..EExtended strand (participates in β ladder)trans-120.3153.6179.756.90000110.7E15 V16S3-E15 WeakPolarHBondContact CB-OE1 3.46Å; S3-E15 PolarHBondContact OG-OE1 3.19Å; S3-V16 CarbonylContact C-O 3.57Å; S3-V16 VanDerWaalsContact CA-O 3.28Å; S3-V16 WeakPolarHBondContact CA-O 3.47Å
4I91.5Very high93.6Very high15 Ų1562.4 Ų62.48%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-126.1157173.965.2172.1000109.8L6 E15 V16 V18 A21 I27 L31I4-L6 HydrophobicContact CD1-CD2 3.7Å; I4-L6 HydrophobicContact CD1-CG 4.3Å; I4-L6 HydrophobicContact CG1-CD2 4.27Å; I4-L6 HydrophobicContact CG1-CG 4.46Å; I4-E15 WeakPolarHBondContact O-CA 3.4Å; I4-V16 PolarHBondContact N-O 3.03Å; I4-V16 PolarHBondContact O-N 2.88Å; I4-V18 HydrophobicContact CG2-CG2 3.63Å; I4-A21 HydrophobicContact CD1-CB 3.34Å; I4-A21 HydrophobicContact CG1-CB 4.07Å; I4-I27 HydrophobicContact CD1-CG2 3.87Å; I4-L31 HydrophobicContact CD1-CD1 4.08Å; I4-L31 HydrophobicContact CD1-CD2 4.34Å; I4-L31 HydrophobicContact CG2-CD1 4.4Å; I4-L31 HydrophobicContact CG2-CD2 3.96Å
5K94.2Very high93.7Very high67 Ų6767.9 Ų67.929%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-100.1123.9173.7-67.4178.4-159.5156.50109.9I13 F14 D42 P44 V45K5-I13 HydrophobicContact CB-CG2 3.83Å; K5-I13 HydrophobicContact CD-CG2 4.17Å; K5-I13 HydrophobicContact CG-CG2 4.06Å; K5-F14 CarbonylContact C-O 3.54Å; K5-F14 WeakPolarHBondContact CA-O 3.25Å; K5-D42 PolarHBondContact NZ-O 3.06Å; K5-D42 IonicContact NZ-OD1 2.82Å; K5-D42 PolarHBondContact NZ-OD1 2.83Å; K5-P44 HydrophobicContact CB-CB 3.92Å; K5-P44 CarbonylContact O-C 3.56Å; K5-P44 WeakPolarHBondContact O-CA 3.48Å; K5-V45 PolarHBondContact O-N 3.48Å
6L95.9Very high93.8Very high4 Ų464.1 Ų64.12%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-106.7127.3172-58.4-177.5000109.2I4 I13 F14 V16 I27 V45 L47 L55I4-L6 HydrophobicContact CD1-CD2 3.7Å; I4-L6 HydrophobicContact CD1-CG 4.3Å; I4-L6 HydrophobicContact CG1-CD2 4.27Å; I4-L6 HydrophobicContact CG1-CG 4.46Å; L6-I13 CarbonylContact O-C 3.52Å; L6-I13 WeakPolarHBondContact O-CA 3.33Å; L6-F14 PolarHBondContact N-O 2.95Å; L6-F14 PolarHBondContact O-N 3.29Å; L6-V16 HydrophobicContact CD1-CB 4.43Å; L6-V16 HydrophobicContact CD1-CG2 3.94Å; L6-V16 HydrophobicContact CG-CG2 4.29Å; L6-I27 HydrophobicContact CD1-CD1 3.97Å; L6-I27 HydrophobicContact CD2-CD1 4.06Å; L6-V45 HydrophobicContact CD2-CB 3.92Å; L6-V45 HydrophobicContact CD2-CG1 4.4Å; L6-V45 HydrophobicContact CD2-CG2 4.47Å; L6-L47 HydrophobicContact CB-CD1 4.14Å; L6-L47 HydrophobicContact CD1-CD1 4.19Å; L6-L47 HydrophobicContact CD2-CD1 4.38Å; L6-L47 HydrophobicContact CG-CD1 4.48Å; L6-L55 HydrophobicContact CB-CD2 4.24Å; L6-L55 HydrophobicContact CD1-CD1 4.44Å
7Q97.5Very high93.7Very high65 Ų6561.9 Ų61.930%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-103.6120.3176.2-179.8174.843.200110.8E12 I13 P44 V45 L47Q7-E12 WeakPolarHBondContact CA-O 3.36Å; Q7-I13 HydrophobicContact CB-CG1 4.35Å; Q7-I13 HydrophobicContact CG-CG1 4.38Å; Q7-P44 HydrophobicContact CB-CB 3.93Å; Q7-P44 HydrophobicContact CB-CG 4.41Å; Q7-V45 PolarHBondContact N-O 2.69Å; Q7-L47 WeakPolarHBondContact O-CB 3.09Å; Q7-L47 PolarHBondContact O-N 3.27Å
8S98.5Very high93.6Very high4 Ų458.6 Ų58.63%0.02832%0.317CS..EExtended strand (participates in β ladder)trans-68.3163.6172.755.80000113D10 G11 E12 V50S8-D10 VanDerWaalsContact CB-OD1 3.28Å; S8-D10 WeakPolarHBondContact CB-OD1 3.31Å; S8-D10 PolarHBondContact O-N 2.99Å; S8-D10 PolarHBondContact OG-OD1 2.96Å; S8-G11 PolarHBondContact O-N 3.24Å; S8-E12 PolarHBondContact N-O 2.75Å; S8-E12 WeakPolarHBondContact OG-CA 3.43Å; S8-E12 WeakPolarHBondContact OG-CB 3.25Å; S8-E12 PolarHBondContact OG-N 3.44Å; S8-E12 PolarHBondContact OG-O 2.83Å; S8-V50 CarbonylContact C-O 3.57Å; S8-V50 WeakPolarHBondContact CA-O 3.37Å; S8-V50 WeakPolarHBondContact CB-O 3.37Å
9S98.1Very high93.5Very high65 Ų6561.1 Ų61.146%0.45533%0.326SS..THydrogen-bonded Turntrans-60-27-179.565.60000114.3L47 P48 V50 N51S9-L47 PolarHBondContact N-O 3.06Å; S9-P48 WeakPolarHBondContact CB-O 3.32Å; S9-V50 PolarHBondContact N-O 2.89Å; S9-V50 PolarHBondContact OG-O 3.5Å; S9-N51 VanDerWaalsContact OG-CA 3.29Å; S9-N51 WeakPolarHBondContact OG-CA 3.44Å; S9-N51 PolarHBondContact OG-N 3.42Å
10D98.1Very high93.6Very high104 Ų10459.1 Ų59.156%0.55632%0.315SS*.THydrogen-bonded Turntrans-95.48.7176.848.5-14.5000113.1S8 N51 A52S8-D10 VanDerWaalsContact CB-OD1 3.28Å; S8-D10 WeakPolarHBondContact CB-OD1 3.31Å; S8-D10 PolarHBondContact O-N 2.99Å; S8-D10 PolarHBondContact OG-OD1 2.96Å; D10-N51 WeakPolarHBondContact OD1-CA 3.26Å; D10-A52 WeakPolarHBondContact OD1-CB 3.46Å; D10-A52 PolarHBondContact OD1-N 3.09Å; D10-A52 PolarHBondContact OD2-N 3.05Å
11G97.7Very high93.6Very high36 Ų3656.5 Ų56.537%0.37130%0.302SS..SBendtrans91.6-2.6165.300000115.7S8S8-G11 PolarHBondContact O-N 3.24Å
12E98.4Very high94.7Very high107 Ų10751.1 Ų51.150%0.527%0.274SS..  trans-70.2137.2174.3-170.2173.8163.800110.5Q7 S8 F14 A52Q7-E12 WeakPolarHBondContact CA-O 3.36Å; S8-E12 PolarHBondContact N-O 2.75Å; S8-E12 WeakPolarHBondContact OG-CA 3.43Å; S8-E12 WeakPolarHBondContact OG-CB 3.25Å; S8-E12 PolarHBondContact OG-N 3.44Å; S8-E12 PolarHBondContact OG-O 2.83Å; E12-F14 HydrophobicContact CB-CE2 3.91Å; E12-F14 HydrophobicContact CB-CZ 4.37Å; E12-F14 HydrophobicContact CG-CD2 4.47Å; E12-F14 HydrophobicContact CG-CE2 3.76Å; E12-F14 HydrophobicContact CG-CZ 3.89Å; E12-F14 WeakPolarHBondContact OE1-CZ 3.32Å; E12-A52 HydrophobicContact CB-CB 3.77Å; E12-A52 HydrophobicContact CG-CB 4.4Å; E12-A52 VanDerWaalsContact OE2-CB 3.27Å; E12-A52 WeakPolarHBondContact OE2-CB 3.13Å
13I97.7Very high95.1Very high89 Ų8950.5 Ų50.546%0.45627%0.266SS..EExtended strand (participates in β ladder)trans-106130.5-178.1-60.8175.3000109.4K5 L6 Q7 P44K5-I13 HydrophobicContact CB-CG2 3.83Å; K5-I13 HydrophobicContact CD-CG2 4.17Å; K5-I13 HydrophobicContact CG-CG2 4.06Å; L6-I13 CarbonylContact O-C 3.52Å; L6-I13 WeakPolarHBondContact O-CA 3.33Å; Q7-I13 HydrophobicContact CB-CG1 4.35Å; Q7-I13 HydrophobicContact CG-CG1 4.38Å; I13-P44 HydrophobicContact CD1-CG 4.38Å
14F97.2Very high95.4Very high25 Ų2547.8 Ų47.811%0.1125%0.247CC..EExtended strand (participates in β ladder)trans-115124.7178.2-63.7-96.6000109.5K5 L6 E12 V16 A52 L55 K56 I59K5-F14 CarbonylContact C-O 3.54Å; K5-F14 WeakPolarHBondContact CA-O 3.25Å; L6-F14 PolarHBondContact N-O 2.95Å; L6-F14 PolarHBondContact O-N 3.29Å; E12-F14 HydrophobicContact CB-CE2 3.91Å; E12-F14 HydrophobicContact CB-CZ 4.37Å; E12-F14 HydrophobicContact CG-CD2 4.47Å; E12-F14 HydrophobicContact CG-CE2 3.76Å; E12-F14 HydrophobicContact CG-CZ 3.89Å; E12-F14 WeakPolarHBondContact OE1-CZ 3.32Å; F14-V16 HydrophobicContact CB-CG2 4.07Å; F14-A52 HydrophobicContact CE2-CB 4.01Å; F14-A52 HydrophobicContact CZ-CB 3.92Å; F14-L55 HydrophobicContact CD2-CD2 3.54Å; F14-L55 HydrophobicContact CD2-CG 4.12Å; F14-L55 HydrophobicContact CE2-CB 4.41Å; F14-L55 HydrophobicContact CE2-CD2 3.88Å; F14-L55 HydrophobicContact CE2-CG 4.3Å; F14-L55 HydrophobicContact CG-CD2 4.3Å; F14-K56 HydrophobicContact CE1-CB 3.95Å; F14-K56 HydrophobicContact CE1-CG 4.41Å; F14-K56 HydrophobicContact CZ-CB 4.35Å; F14-I59 HydrophobicContact CB-CD1 3.71Å; F14-I59 HydrophobicContact CD1-CD1 3.84Å; F14-I59 HydrophobicContact CG-CD1 3.82Å
15E95.3Very high95.6Very high145 Ų14550 Ų5068%0.67826%0.261SS*.EExtended strand (participates in β ladder)trans-85.8119.9168.8-170.4174.2-179.300109S3 I4S3-E15 WeakPolarHBondContact CB-OE1 3.46Å; S3-E15 PolarHBondContact OG-OE1 3.19Å; I4-E15 WeakPolarHBondContact O-CA 3.4Å
16V94.5Very high95.6Very high6 Ų648.8 Ų48.84%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-129.1139.9-173-171.50000109S3 I4 L6 F14 I20 A21 I59S3-V16 CarbonylContact C-O 3.57Å; S3-V16 VanDerWaalsContact CA-O 3.28Å; S3-V16 WeakPolarHBondContact CA-O 3.47Å; I4-V16 PolarHBondContact N-O 3.03Å; I4-V16 PolarHBondContact O-N 2.88Å; L6-V16 HydrophobicContact CD1-CB 4.43Å; L6-V16 HydrophobicContact CD1-CG2 3.94Å; L6-V16 HydrophobicContact CG-CG2 4.29Å; F14-V16 HydrophobicContact CB-CG2 4.07Å; V16-I20 HydrophobicContact CG1-CB 3.94Å; V16-I20 HydrophobicContact CG1-CG2 3.76Å; V16-A21 HydrophobicContact CG1-CB 4.37Å; V16-I59 HydrophobicContact CG1-CG2 4.28Å; V16-I59 HydrophobicContact CG2-CD1 3.57Å; V16-I59 HydrophobicContact CG2-CG1 3.95Å; V16-I59 HydrophobicContact CG2-CG2 4.27Å
17D93.1Very high95.5Very high27 Ų2748.8 Ų48.814%0.14426%0.26CS..EExtended strand (participates in β ladder)trans-58.7136.3171.4-174.6-85000110.8M1 E19 I20 A21M1-D17 WeakPolarHBondContact CB-OD2 3.35Å; M1-D17 VanDerWaalsContact CE-OD2 3.24Å; M1-D17 WeakPolarHBondContact CE-OD2 3.3Å; D17-E19 PolarHBondContact O-N 3.37Å; D17-E19 WeakPolarHBondContact OD1-CA 3.37Å; D17-E19 VanDerWaalsContact OD1-CB 3.29Å; D17-E19 WeakPolarHBondContact OD1-CB 3.39Å; D17-E19 PolarHBondContact OD1-N 2.9Å; D17-I20 HydrophobicContact CB-CB 4.18Å; D17-I20 HydrophobicContact CB-CD1 3.79Å; D17-I20 HydrophobicContact CB-CG1 3.92Å; D17-I20 WeakPolarHBondContact O-CB 3.4Å; D17-I20 PolarHBondContact O-N 3.49Å; D17-I20 VanDerWaalsContact O-N 3.09Å; D17-I20 PolarHBondContact OD1-N 3.4Å; D17-A21 PolarHBondContact O-N 3.11Å
18V91.9Very high95.3Very high2 Ų249.6 Ų49.61%0.01226%0.262CS..Hα-helixtrans-54.5-40.2-179.9167.20000112P2 I4 I20 A21 K22 L31P2-V18 HydrophobicContact CB-CB 4.47Å; P2-V18 HydrophobicContact CB-CG2 3.84Å; P2-V18 HydrophobicContact CG-CB 4.09Å; P2-V18 HydrophobicContact CG-CG2 3.99Å; P2-V18 WeakPolarHBondContact O-CG2 3.42Å; P2-V18 PolarHBondContact O-N 3.22Å; I4-V18 HydrophobicContact CG2-CG2 3.63Å; V18-I20 VanDerWaalsContact C-N 3.34Å; V18-A21 PolarHBondContact O-N 3.36Å; V18-K22 HydrophobicContact CG1-CD 3.92Å; V18-K22 HydrophobicContact CG1-CG 4.26Å; V18-K22 WeakPolarHBondContact O-CB 3.34Å; V18-K22 VanDerWaalsContact O-CG 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.29Å; V18-K22 PolarHBondContact O-N 2.87Å; V18-L31 HydrophobicContact CG1-CD1 4.37Å
19E91.9Very high95Very high107 Ų10752.3 Ų52.350%0.528%0.279SS..Hα-helixtrans-73.3-29.7-177.8-59.2-59119.100111.9D17 K22D17-E19 PolarHBondContact O-N 3.37Å; D17-E19 WeakPolarHBondContact OD1-CA 3.37Å; D17-E19 VanDerWaalsContact OD1-CB 3.29Å; D17-E19 WeakPolarHBondContact OD1-CB 3.39Å; D17-E19 PolarHBondContact OD1-N 2.9Å; E19-K22 WeakPolarHBondContact OE1-CD 3.32Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 2.97Å
20I94.5Very high94.6Very high20 Ų2052.1 Ų52.110%0.10327%0.271CS..Hα-helixtrans-68.8-44170.2-63.7174.8000109.8V16 D17 V18 K22 Q23 C62 T63 K66V16-I20 HydrophobicContact CG1-CB 3.94Å; V16-I20 HydrophobicContact CG1-CG2 3.76Å; D17-I20 HydrophobicContact CB-CB 4.18Å; D17-I20 HydrophobicContact CB-CD1 3.79Å; D17-I20 HydrophobicContact CB-CG1 3.92Å; D17-I20 WeakPolarHBondContact O-CB 3.4Å; D17-I20 PolarHBondContact O-N 3.49Å; D17-I20 VanDerWaalsContact O-N 3.09Å; D17-I20 PolarHBondContact OD1-N 3.4Å; V18-I20 VanDerWaalsContact C-N 3.34Å; I20-K22 VanDerWaalsContact C-N 3.33Å; I20-K22 PolarHBondContact O-N 3.39Å; I20-Q23 PolarHBondContact O-N 3.23Å; I20-C62 HydrophobicContact CG2-CB 3.7Å; I20-T63 HydrophobicContact CD1-CG2 4.01Å; I20-K66 HydrophobicContact CD1-CD 4.39Å; I20-K66 HydrophobicContact CG1-CB 4.48Å; I20-K66 HydrophobicContact CG1-CD 4.07Å
21A93.9Very high94.2Very high6 Ų647.2 Ų47.25%0.0525%0.245CC..Hα-helixtrans-65.3-34.7179.500000113I4 V16 D17 V18 Q23 S24 I27I4-A21 HydrophobicContact CD1-CB 3.34Å; I4-A21 HydrophobicContact CG1-CB 4.07Å; V16-A21 HydrophobicContact CG1-CB 4.37Å; D17-A21 PolarHBondContact O-N 3.11Å; V18-A21 PolarHBondContact O-N 3.36Å; A21-Q23 PolarHBondContact O-N 2.93Å; A21-Q23 VanDerWaalsContact O-N 3.13Å; A21-S24 WeakPolarHBondContact O-CB 3.28Å; A21-S24 PolarHBondContact O-N 3.25Å; A21-I27 HydrophobicContact CB-CG2 4.05Å
22K93Very high93.7Very high61 Ų6150.4 Ų50.427%0.26525%0.25SC..THydrogen-bonded Turntrans-65.9-8.2178.3-80.4175.1-179.2165.30114.9V18 E19 I20 S24 K28V18-K22 HydrophobicContact CG1-CD 3.92Å; V18-K22 HydrophobicContact CG1-CG 4.26Å; V18-K22 WeakPolarHBondContact O-CB 3.34Å; V18-K22 VanDerWaalsContact O-CG 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.29Å; V18-K22 PolarHBondContact O-N 2.87Å; E19-K22 WeakPolarHBondContact OE1-CD 3.32Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 2.97Å; I20-K22 VanDerWaalsContact C-N 3.33Å; I20-K22 PolarHBondContact O-N 3.39Å; K22-S24 PolarHBondContact O-N 3.18Å; K22-K28 HydrophobicContact CB-CB 4.39Å; K22-K28 HydrophobicContact CG-CB 4.23Å; K22-K28 HydrophobicContact CG-CG 4.17Å
23Q94.1Very high93.2Very high46 Ų4651.6 Ų51.622%0.21526%0.26CS..THydrogen-bonded Turntrans-67.2-23.5167.8-76.4-17854.400113I20 A21 C62I20-Q23 PolarHBondContact O-N 3.23Å; A21-Q23 PolarHBondContact O-N 2.93Å; A21-Q23 VanDerWaalsContact O-N 3.13Å; Q23-C62 HydrophobicContact CB-CB 4.4Å; Q23-C62 PolarHBondContact NE2-O 2.99Å
24S96.1Very high92.6Very high3 Ų353.1 Ų53.12%0.02127%0.268CS..SBendtrans-80.2118.2164.7166.30000108.5A21 K22 T26 I27 K28 L110A21-S24 WeakPolarHBondContact O-CB 3.28Å; A21-S24 PolarHBondContact O-N 3.25Å; K22-S24 PolarHBondContact O-N 3.18Å; S24-T26 PolarHBondContact O-N 3.47Å; S24-T26 PolarHBondContact OG-N 3.05Å; S24-I27 PolarHBondContact O-N 3.08Å; S24-I27 WeakPolarHBondContact OG-CG1 3.32Å; S24-I27 PolarHBondContact OG-N 2.92Å; S24-K28 VanDerWaalsContact O-CB 3.26Å; S24-K28 WeakPolarHBondContact O-CB 3.4Å; S24-K28 PolarHBondContact O-N 3.46Å; S24-L110 WeakPolarHBondContact CA-O 3.28Å; S24-L110 VanDerWaalsContact CB-O 3.27Å; S24-L110 WeakPolarHBondContact CB-O 3.35Å; S24-L110 PolarHBondContact OG-O 3.08Å
25V95.5Very high91.7Very high60 Ų6054.5 Ų54.536%0.36429%0.289SS..Hα-helixtrans-61.3-40.6173.8179.20000109.7I27 K28 T29 D111V25-I27 PolarHBondContact O-N 2.9Å; V25-K28 PolarHBondContact O-N 2.78Å; V25-T29 PolarHBondContact O-N 3.22Å; V25-T29 PolarHBondContact O-OG1 2.84Å; V25-D111 HydrophobicContact CB-CB 3.95Å; V25-D111 WeakPolarHBondContact CB-OD2 3.44Å; V25-D111 HydrophobicContact CG2-CB 4.46Å; V25-D111 PolarHBondContact N-O 2.82Å
26T95Very high90.6Very high42 Ų4249 Ų4926%0.25826%0.264SS..Hα-helixtrans-56.6-49.6176.7-60.60000112.5S24 M30 Y109 L110S24-T26 PolarHBondContact O-N 3.47Å; S24-T26 PolarHBondContact OG-N 3.05Å; T26-M30 HydrophobicContact CG2-CE 3.42Å; T26-M30 VanDerWaalsContact CG2-CE 3.42Å; T26-M30 WeakPolarHBondContact O-CE 2.99Å; T26-M30 WeakPolarHBondContact O-CG 3.43Å; T26-M30 PolarHBondContact O-N 3.15Å; T26-Y109 PolarHBondContact OG1-O 3.44Å; T26-L110 PolarHBondContact OG1-O 3.34Å
27I93.7Very high89.3Confident5 Ų551.4 Ų51.43%0.02628%0.277CS..Hα-helixtrans-69.9-41.7178.5-63.8168.9000110.7I4 L6 A21 S24 V25 T29 M30 L31 L47 L110I4-I27 HydrophobicContact CD1-CG2 3.87Å; L6-I27 HydrophobicContact CD1-CD1 3.97Å; L6-I27 HydrophobicContact CD2-CD1 4.06Å; A21-I27 HydrophobicContact CB-CG2 4.05Å; S24-I27 PolarHBondContact O-N 3.08Å; S24-I27 WeakPolarHBondContact OG-CG1 3.32Å; S24-I27 PolarHBondContact OG-N 2.92Å; V25-I27 PolarHBondContact O-N 2.9Å; I27-T29 PolarHBondContact O-N 3.31Å; I27-M30 PolarHBondContact O-N 2.93Å; I27-L31 HydrophobicContact CG2-CD1 4.05Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CG 3.16Å; I27-L31 PolarHBondContact O-N 3.33Å; I27-L47 HydrophobicContact CD1-CD1 4.38Å; I27-L110 HydrophobicContact CD1-CD2 4.25Å; I27-L110 HydrophobicContact CG1-CD2 4.44Å
28K92.8Very high87.9Confident82 Ų8256.3 Ų56.336%0.35730%0.303SS..Hα-helixtrans-54.3-51.5176.7177.7179.8171.9-176.60111.7K22 S24 V25 M30 L31 E32K22-K28 HydrophobicContact CB-CB 4.39Å; K22-K28 HydrophobicContact CG-CB 4.23Å; K22-K28 HydrophobicContact CG-CG 4.17Å; S24-K28 VanDerWaalsContact O-CB 3.26Å; S24-K28 WeakPolarHBondContact O-CB 3.4Å; S24-K28 PolarHBondContact O-N 3.46Å; V25-K28 PolarHBondContact O-N 2.78Å; K28-M30 VanDerWaalsContact C-N 3.32Å; K28-M30 PolarHBondContact O-N 3.04Å; K28-L31 PolarHBondContact O-N 3.42Å; K28-E32 WeakPolarHBondContact CE-OE1 3.41Å; K28-E32 WeakPolarHBondContact CG-OE1 3.07Å; K28-E32 IonicContact NZ-OE1 2.67Å; K28-E32 WeakPolarHBondContact O-CG 3.12Å; K28-E32 PolarHBondContact O-N 3.35Å
29T92.6Very high86.2Confident61 Ų6165 Ų6537%0.37434%0.344SS..Hα-helixtrans-61.2-40.6178.7-60.60000111.7V25 I27 L31 E32 D33V25-T29 PolarHBondContact O-N 3.22Å; V25-T29 PolarHBondContact O-OG1 2.84Å; I27-T29 PolarHBondContact O-N 3.31Å; T29-L31 PolarHBondContact O-N 2.94Å; T29-E32 PolarHBondContact O-N 3.26Å; T29-D33 WeakPolarHBondContact O-CB 3.37Å; T29-D33 PolarHBondContact O-N 3.12Å
30M89.8Confident84.6Confident60 Ų6063.8 Ų63.830%0.29636%0.359SS..Hα-helixtrans-60.7-43.5175.8-78.6-172.2-99.900112.9T26 I27 K28 L34 V45T26-M30 HydrophobicContact CG2-CE 3.42Å; T26-M30 VanDerWaalsContact CG2-CE 3.42Å; T26-M30 WeakPolarHBondContact O-CE 2.99Å; T26-M30 WeakPolarHBondContact O-CG 3.43Å; T26-M30 PolarHBondContact O-N 3.15Å; I27-M30 PolarHBondContact O-N 2.93Å; K28-M30 VanDerWaalsContact C-N 3.32Å; K28-M30 PolarHBondContact O-N 3.04Å; M30-L34 WeakPolarHBondContact O-CB 3.47Å; M30-L34 VanDerWaalsContact O-CG 3.27Å; M30-L34 WeakPolarHBondContact O-CG 3.47Å; M30-L34 PolarHBondContact O-N 2.96Å; M30-L34 VanDerWaalsContact O-N 3.11Å; M30-V45 HydrophobicContact CE-CG1 4.47Å; M30-V45 HydrophobicContact SD-CG1 4.09Å
31L88.7Confident83.1Confident1 Ų167.4 Ų67.41%0.00538%0.379CS..Hα-helixtrans-66.4-41.5179.1-64.5174.4000111.8I4 V18 I27 K28 T29 G35 M36I4-L31 HydrophobicContact CD1-CD1 4.08Å; I4-L31 HydrophobicContact CD1-CD2 4.34Å; I4-L31 HydrophobicContact CG2-CD1 4.4Å; I4-L31 HydrophobicContact CG2-CD2 3.96Å; V18-L31 HydrophobicContact CG1-CD1 4.37Å; I27-L31 HydrophobicContact CG2-CD1 4.05Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CG 3.16Å; I27-L31 PolarHBondContact O-N 3.33Å; K28-L31 PolarHBondContact O-N 3.42Å; T29-L31 PolarHBondContact O-N 2.94Å; L31-G35 PolarHBondContact O-N 2.93Å; L31-M36 HydrophobicContact CD2-CB 3.75Å; L31-M36 HydrophobicContact CD2-SD 4.42Å; L31-M36 PolarHBondContact O-N 2.9Å
32E89.1Confident82Confident103 Ų10372.9 Ų72.948%0.48141%0.407SS..Hα-helixtrans-65.4-41.7178.3-71.4173.2173.400111.9K28 T29K28-E32 WeakPolarHBondContact CE-OE1 3.41Å; K28-E32 WeakPolarHBondContact CG-OE1 3.07Å; K28-E32 IonicContact NZ-OE1 2.67Å; K28-E32 WeakPolarHBondContact O-CG 3.12Å; K28-E32 PolarHBondContact O-N 3.35Å; T29-E32 PolarHBondContact O-N 3.26Å
33D87.1Confident81.7Confident133 Ų13375.4 Ų75.471%0.71142%0.424SS*.Hα-helixtrans-71.7-32-179.9-76.5-17.6000112.9T29T29-D33 WeakPolarHBondContact O-CB 3.37Å; T29-D33 PolarHBondContact O-N 3.12Å
34L83.9Confident81.6Confident121 Ų12175 Ų7563%0.63443%0.425SS*.Hα-helixtrans-92.1-9.6-178.6-64.5176.1000113.5M30 M36M30-L34 WeakPolarHBondContact O-CB 3.47Å; M30-L34 VanDerWaalsContact O-CG 3.27Å; M30-L34 WeakPolarHBondContact O-CG 3.47Å; M30-L34 PolarHBondContact O-N 2.96Å; M30-L34 VanDerWaalsContact O-N 3.11Å; L34-M36 VanDerWaalsContact C-N 3.27Å; L34-M36 HydrophobicContact CB-CG 3.63Å; L34-M36 HydrophobicContact CB-SD 3.7Å; L34-M36 HydrophobicContact CD1-SD 3.49Å; L34-M36 WeakPolarHBondContact CD1-SD 3.32Å; L34-M36 HydrophobicContact CG-SD 4.24Å; L34-M36 PolarHBondContact O-N 3.5Å
35G78.5Confident81.4Confident53 Ų5375.4 Ų75.455%0.54643%0.427SS..THydrogen-bonded Turntrans63.933.8-174.400000112.8L31 D37L31-G35 PolarHBondContact O-N 2.93Å; G35-D37 VanDerWaalsContact C-N 3.3Å
36M73Confident81.4Confident29 Ų2976.5 Ų76.514%0.14344%0.436CS..  trans-9213.5-179.6-63.7172.784.400112.3L31 L34 D41 V45L31-M36 HydrophobicContact CD2-CB 3.75Å; L31-M36 HydrophobicContact CD2-SD 4.42Å; L31-M36 PolarHBondContact O-N 2.9Å; L34-M36 VanDerWaalsContact C-N 3.27Å; L34-M36 HydrophobicContact CB-CG 3.63Å; L34-M36 HydrophobicContact CB-SD 3.7Å; L34-M36 HydrophobicContact CD1-SD 3.49Å; L34-M36 WeakPolarHBondContact CD1-SD 3.32Å; L34-M36 HydrophobicContact CG-SD 4.24Å; L34-M36 PolarHBondContact O-N 3.5Å; M36-D41 HydrophobicContact CE-CB 3.67Å; M36-D41 HydrophobicContact CG-CB 4.28Å; M36-V45 HydrophobicContact CE-CG2 4.45Å
37D67.6Low81.5Confident58 Ų5874.5 Ų74.531%0.3142%0.424SS..SBendtrans-78.2-25.8-175.251.8-23.9000114G35G35-D37 VanDerWaalsContact C-N 3.3Å
38D63.3Low81.7Confident130 Ų13078.1 Ų78.170%0.69545%0.447SS*.SBendtrans-124.243.9-165.1-78-17.7000115
39E57.2Low81.9Confident185 Ų18579.4 Ų79.486%0.86446%0.458SS*.SBendtrans91.4129.1173.6-49.3167.517200115.6
40G57.5Low82.1Confident80 Ų8076.6 Ų76.683%0.82544%0.441SS*.  trans113.35.2145.200000118.9
41D62Low82.5Confident97 Ų9775.6 Ų75.652%0.51944%0.437SS..  trans-91.9110.5167.6-143.1-13.6000110.2M36 D43M36-D41 HydrophobicContact CE-CB 3.67Å; M36-D41 HydrophobicContact CG-CB 4.28Å; D41-D43 PolarHBondContact O-N 3.3Å
42D71.8Confident83Confident120 Ų12075.8 Ų75.864%0.64244%0.438SS*.  trans-77.6-10.7-176.2-109.7-28.1000112.3K5K5-D42 PolarHBondContact NZ-O 3.06Å; K5-D42 IonicContact NZ-OD1 2.82Å; K5-D42 PolarHBondContact NZ-OD1 2.83Å
43D87Confident83.5Confident115 Ų11574.1 Ų74.162%0.61544%0.442SS*.SBendtrans-75.2126.3-175.1-77.7-20.8000111.1D41D41-D43 PolarHBondContact O-N 3.3Å
44P91.4Very high84Confident37 Ų3768.1 Ų68.124%0.2441%0.41CS..  trans-72136.9-178.129.6-34.3000111.9K5 Q7 I13 P46K5-P44 HydrophobicContact CB-CB 3.92Å; K5-P44 CarbonylContact O-C 3.56Å; K5-P44 WeakPolarHBondContact O-CA 3.48Å; Q7-P44 HydrophobicContact CB-CB 3.93Å; Q7-P44 HydrophobicContact CB-CG 4.41Å; I13-P44 HydrophobicContact CD1-CG 4.38Å; P44-P46 VanDerWaalsContact O-CD 3.26Å; P44-P46 WeakPolarHBondContact O-CD 3.39Å
45V92.8Very high84.7Confident12 Ų1262.4 Ų62.47%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-70.7114.7170.6-179.50000108.8K5 L6 Q7 M30 M36 L47K5-V45 PolarHBondContact O-N 3.48Å; L6-V45 HydrophobicContact CD2-CB 3.92Å; L6-V45 HydrophobicContact CD2-CG1 4.4Å; L6-V45 HydrophobicContact CD2-CG2 4.47Å; Q7-V45 PolarHBondContact N-O 2.69Å; M30-V45 HydrophobicContact CE-CG1 4.47Å; M30-V45 HydrophobicContact SD-CG1 4.09Å; M36-V45 HydrophobicContact CE-CG2 4.45Å; V45-L47 HydrophobicContact CG1-CD2 4.38Å
46P95.1Very high85.7Confident83 Ų8366.4 Ų66.454%0.53938%0.383SS..EExtended strand (participates in β ladder)trans-79.2128.8-177.131.3-33000111.4P44 P48P44-P46 VanDerWaalsContact O-CD 3.26Å; P44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-P48 VanDerWaalsContact C-CD 3.46Å; P46-P48 WeakPolarHBondContact O-CD 3.25Å
47L97Very high86.9Confident0 Ų067.9 Ų67.90%039%0.388CS..EExtended strand (participates in β ladder)trans-114.474.1176.1-58.3-178.7000109.6L6 Q7 S9 I27 V45 N49 V50 L55 Y109 L110L6-L47 HydrophobicContact CB-CD1 4.14Å; L6-L47 HydrophobicContact CD1-CD1 4.19Å; L6-L47 HydrophobicContact CD2-CD1 4.38Å; L6-L47 HydrophobicContact CG-CD1 4.48Å; Q7-L47 WeakPolarHBondContact O-CB 3.09Å; Q7-L47 PolarHBondContact O-N 3.27Å; S9-L47 PolarHBondContact N-O 3.06Å; I27-L47 HydrophobicContact CD1-CD1 4.38Å; V45-L47 HydrophobicContact CG1-CD2 4.38Å; L47-N49 PolarHBondContact O-N 3.48Å; L47-V50 PolarHBondContact O-N 3.23Å; L47-V50 VanDerWaalsContact O-N 3.16Å; L47-L55 HydrophobicContact CD1-CD1 3.77Å; L47-L55 HydrophobicContact CD1-CD2 4.12Å; L47-Y109 HydrophobicContact CD2-CE1 4.42Å; L47-L110 HydrophobicContact CD1-CD2 4.11Å; L47-L110 HydrophobicContact CD2-CD2 3.8Å
48P96.6Very high88.4Confident80 Ų8065.3 Ų65.352%0.51938%0.375SS..THydrogen-bonded Turntrans-65.5-14.5-16927.4-37.6000114.7S9 P46S9-P48 WeakPolarHBondContact CB-O 3.32Å; P46-P48 VanDerWaalsContact C-CD 3.46Å; P46-P48 WeakPolarHBondContact O-CD 3.25Å
49N96.9Very high90.1Very high109 Ų10960.6 Ų60.658%0.58335%0.349SS*.THydrogen-bonded Turntrans-101.56.3-178.1-63.2-33.2000113.5L47 Y109L47-N49 PolarHBondContact O-N 3.48Å; N49-Y109 HydrophobicContact CB-CD1 4Å; N49-Y109 HydrophobicContact CB-CD2 4.15Å; N49-Y109 HydrophobicContact CB-CE1 4.04Å; N49-Y109 HydrophobicContact CB-CE2 4.19Å; N49-Y109 HydrophobicContact CB-CG 4.07Å; N49-Y109 WeakPolarHBondContact ND2-CD2 3.15Å; N49-Y109 WeakPolarHBondContact ND2-CE2 3.44Å
50V98.4Very high92Very high2 Ų256.6 Ų56.61%0.01233%0.33CS..SBendtrans-133116.5-177.8-167.70000109.9S8 S9 L47 I54 L55 A106 Y109 L110S8-V50 CarbonylContact C-O 3.57Å; S8-V50 WeakPolarHBondContact CA-O 3.37Å; S8-V50 WeakPolarHBondContact CB-O 3.37Å; S9-V50 PolarHBondContact N-O 2.89Å; S9-V50 PolarHBondContact OG-O 3.5Å; L47-V50 PolarHBondContact O-N 3.23Å; L47-V50 VanDerWaalsContact O-N 3.16Å; V50-I54 HydrophobicContact CG1-CB 4.09Å; V50-I54 HydrophobicContact CG1-CG2 3.88Å; V50-L55 HydrophobicContact CG1-CB 3.86Å; V50-A106 HydrophobicContact CG1-CB 3.94Å; V50-A106 HydrophobicContact CG2-CB 3.96Å; V50-Y109 HydrophobicContact CG2-CD1 3.74Å; V50-Y109 HydrophobicContact CG2-CE1 4.2Å; V50-L110 HydrophobicContact CG2-CD1 4.35Å; V50-L110 HydrophobicContact CG2-CG 4.46Å
51N98.5Very high94Very high40 Ų4053.4 Ų53.421%0.21429%0.293CS..  trans-73163.4175.171.951.9000111.7S9 D10 A53 I54 L55 E102S9-N51 VanDerWaalsContact OG-CA 3.29Å; S9-N51 WeakPolarHBondContact OG-CA 3.44Å; S9-N51 PolarHBondContact OG-N 3.42Å; D10-N51 WeakPolarHBondContact OD1-CA 3.26Å; N51-A53 VanDerWaalsContact C-N 3.33Å; N51-A53 PolarHBondContact O-N 2.79Å; N51-A53 WeakPolarHBondContact OD1-CB 3.33Å; N51-A53 PolarHBondContact OD1-N 2.9Å; N51-A53 VanDerWaalsContact OD1-N 3.08Å; N51-I54 PolarHBondContact O-N 3.4Å; N51-I54 VanDerWaalsContact OD1-CG1 3.32Å; N51-I54 WeakPolarHBondContact OD1-CG1 3.44Å; N51-I54 PolarHBondContact OD1-N 3.26Å; N51-L55 WeakPolarHBondContact O-CB 3.46Å; N51-L55 PolarHBondContact O-N 3.09Å; N51-E102 PolarHBondContact ND2-OE2 2.62Å
52A98.7Very high95.7Very high5 Ų549.1 Ų49.14%0.04127%0.271CS..Hα-helixtrans-58.8-40.7-17600000113.5D10 E12 F14 I54 L55 K56D10-A52 WeakPolarHBondContact OD1-CB 3.46Å; D10-A52 PolarHBondContact OD1-N 3.09Å; D10-A52 PolarHBondContact OD2-N 3.05Å; E12-A52 HydrophobicContact CB-CB 3.77Å; E12-A52 HydrophobicContact CG-CB 4.4Å; E12-A52 VanDerWaalsContact OE2-CB 3.27Å; E12-A52 WeakPolarHBondContact OE2-CB 3.13Å; F14-A52 HydrophobicContact CE2-CB 4.01Å; F14-A52 HydrophobicContact CZ-CB 3.92Å; A52-I54 VanDerWaalsContact C-N 3.33Å; A52-I54 PolarHBondContact O-N 3.23Å; A52-L55 PolarHBondContact O-N 2.85Å; A52-K56 VanDerWaalsContact O-CB 3.3Å; A52-K56 WeakPolarHBondContact O-CB 3.13Å; A52-K56 PolarHBondContact O-N 3.42Å
53A98.5Very high96.9Very high68 Ų6846.3 Ų46.356%0.56226%0.258SS*.Hα-helixtrans-63.6-40.6-17900000111.9N51N51-A53 VanDerWaalsContact C-N 3.33Å; N51-A53 PolarHBondContact O-N 2.79Å; N51-A53 WeakPolarHBondContact OD1-CB 3.33Å; N51-A53 PolarHBondContact OD1-N 2.9Å; N51-A53 VanDerWaalsContact OD1-N 3.08Å
54I98.8Very high97.4Very high6 Ų644.9 Ų44.93%0.03125%0.247CC..Hα-helixtrans-76.8-43.4178.1-60.5-63.8000110.8V50 N51 A52 K56 K57 V58 T99 E102 L103 A106V50-I54 HydrophobicContact CG1-CB 4.09Å; V50-I54 HydrophobicContact CG1-CG2 3.88Å; N51-I54 PolarHBondContact O-N 3.4Å; N51-I54 VanDerWaalsContact OD1-CG1 3.32Å; N51-I54 WeakPolarHBondContact OD1-CG1 3.44Å; N51-I54 PolarHBondContact OD1-N 3.26Å; A52-I54 VanDerWaalsContact C-N 3.33Å; A52-I54 PolarHBondContact O-N 3.23Å; I54-K56 VanDerWaalsContact C-N 3.28Å; I54-K56 PolarHBondContact O-N 3.38Å; I54-K57 WeakPolarHBondContact O-CB 3.26Å; I54-K57 PolarHBondContact O-N 2.95Å; I54-V58 HydrophobicContact CG2-CG2 4.31Å; I54-V58 WeakPolarHBondContact O-CG2 3.22Å; I54-V58 PolarHBondContact O-N 3.03Å; I54-T99 HydrophobicContact CD1-CG2 3.97Å; I54-E102 HydrophobicContact CD1-CB 3.51Å; I54-E102 HydrophobicContact CD1-CG 4.47Å; I54-E102 VanDerWaalsContact CD1-OE2 3.25Å; I54-E102 WeakPolarHBondContact CD1-OE2 3.44Å; I54-E102 HydrophobicContact CG1-CB 3.7Å; I54-E102 WeakPolarHBondContact CG1-OE2 3.37Å; I54-E102 HydrophobicContact CG2-CB 4.49Å; I54-L103 HydrophobicContact CD1-CG 4.45Å; I54-L103 HydrophobicContact CG2-CD2 4.12Å; I54-A106 HydrophobicContact CG2-CB 3.66Å
55L98.7Very high97.6Very high2 Ų244 Ų441%0.0124%0.24CC..Hα-helixtrans-58.2-41.9177.5-176.855.2000111.3L6 F14 L47 V50 N51 A52 K57 V58 I59L6-L55 HydrophobicContact CB-CD2 4.24Å; L6-L55 HydrophobicContact CD1-CD1 4.44Å; F14-L55 HydrophobicContact CD2-CD2 3.54Å; F14-L55 HydrophobicContact CD2-CG 4.12Å; F14-L55 HydrophobicContact CE2-CB 4.41Å; F14-L55 HydrophobicContact CE2-CD2 3.88Å; F14-L55 HydrophobicContact CE2-CG 4.3Å; F14-L55 HydrophobicContact CG-CD2 4.3Å; L47-L55 HydrophobicContact CD1-CD1 3.77Å; L47-L55 HydrophobicContact CD1-CD2 4.12Å; V50-L55 HydrophobicContact CG1-CB 3.86Å; N51-L55 WeakPolarHBondContact O-CB 3.46Å; N51-L55 PolarHBondContact O-N 3.09Å; A52-L55 PolarHBondContact O-N 2.85Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.07Å; L55-V58 PolarHBondContact O-N 3.12Å; L55-I59 HydrophobicContact CD1-CD1 4.14Å; L55-I59 HydrophobicContact CD1-CG1 4.27Å; L55-I59 HydrophobicContact CG-CD1 3.88Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.21Å; L55-I59 PolarHBondContact O-N 2.9Å
56K98.6Very high97.6Very high137 Ų13747.9 Ų47.960%0.59626%0.256SS*.Hα-helixtrans-58-41.1174.5-175.2174.3-177.2171.20112.7F14 A52 I54 Q60F14-K56 HydrophobicContact CE1-CB 3.95Å; F14-K56 HydrophobicContact CE1-CG 4.41Å; F14-K56 HydrophobicContact CZ-CB 4.35Å; A52-K56 VanDerWaalsContact O-CB 3.3Å; A52-K56 WeakPolarHBondContact O-CB 3.13Å; A52-K56 PolarHBondContact O-N 3.42Å; I54-K56 VanDerWaalsContact C-N 3.28Å; I54-K56 PolarHBondContact O-N 3.38Å; K56-Q60 WeakPolarHBondContact O-CB 3.34Å; K56-Q60 PolarHBondContact O-N 3.46Å
57K98.7Very high97.4Very high59 Ų5950.3 Ų50.326%0.25726%0.264SS..Hα-helixtrans-70.2-41176.4-78.3-169.4171.9-169.70112.1I54 L55 I59 Q60 W61 F92 T99 L103I54-K57 WeakPolarHBondContact O-CB 3.26Å; I54-K57 PolarHBondContact O-N 2.95Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.07Å; K57-I59 VanDerWaalsContact C-N 3.34Å; K57-I59 PolarHBondContact O-N 3.46Å; K57-Q60 WeakPolarHBondContact O-CB 3.31Å; K57-Q60 PolarHBondContact O-N 3.38Å; K57-W61 PolarHBondContact O-N 3.23Å; K57-F92 HydrophobicContact CB-CE2 4.38Å; K57-F92 HydrophobicContact CB-CZ 4Å; K57-F92 VanDerWaalsContact O-CZ 3.29Å; K57-F92 WeakPolarHBondContact O-CZ 3.36Å; K57-T99 HydrophobicContact CD-CG2 4.15Å; K57-L103 HydrophobicContact CB-CD2 3.86Å; K57-L103 HydrophobicContact CD-CD1 4.38Å
58V98.7Very high97.1Very high5 Ų554.5 Ų54.53%0.0329%0.287CS..Hα-helixtrans-58-48.9174.2172.90000110.1I54 L55 Q60 W61 C62 L103 A106 L110 I112 L115I54-V58 HydrophobicContact CG2-CG2 4.31Å; I54-V58 WeakPolarHBondContact O-CG2 3.22Å; I54-V58 PolarHBondContact O-N 3.03Å; L55-V58 PolarHBondContact O-N 3.12Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.41Å; V58-W61 PolarHBondContact O-N 3.26Å; V58-W61 VanDerWaalsContact O-N 3.15Å; V58-C62 PolarHBondContact O-N 2.99Å; V58-C62 PolarHBondContact O-SG 3.26Å; V58-L103 HydrophobicContact CG2-CD2 4.11Å; V58-A106 HydrophobicContact CG2-CB 4.06Å; V58-L110 HydrophobicContact CG1-CD1 4Å; V58-I112 HydrophobicContact CG1-CD1 3.37Å; V58-L115 HydrophobicContact CG1-CD2 4.39Å; V58-L115 HydrophobicContact CG2-CD2 4.02Å
59I98.4Very high96.5Very high30 Ų3056 Ų5615%0.15430%0.296CS..Hα-helixtrans-59.8-42.6176.7-66.3161.8000110.8F14 V16 L55 K57 W61 C62 T63F14-I59 HydrophobicContact CB-CD1 3.71Å; F14-I59 HydrophobicContact CD1-CD1 3.84Å; F14-I59 HydrophobicContact CG-CD1 3.82Å; V16-I59 HydrophobicContact CG1-CG2 4.28Å; V16-I59 HydrophobicContact CG2-CD1 3.57Å; V16-I59 HydrophobicContact CG2-CG1 3.95Å; V16-I59 HydrophobicContact CG2-CG2 4.27Å; L55-I59 HydrophobicContact CD1-CD1 4.14Å; L55-I59 HydrophobicContact CD1-CG1 4.27Å; L55-I59 HydrophobicContact CG-CD1 3.88Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.21Å; L55-I59 PolarHBondContact O-N 2.9Å; K57-I59 VanDerWaalsContact C-N 3.34Å; K57-I59 PolarHBondContact O-N 3.46Å; I59-W61 PolarHBondContact O-N 3.3Å; I59-C62 PolarHBondContact O-N 3.26Å; I59-T63 VanDerWaalsContact O-CB 3.32Å; I59-T63 WeakPolarHBondContact O-CB 3.37Å; I59-T63 PolarHBondContact O-N 3.43Å; I59-T63 PolarHBondContact O-OG1 2.95Å
60Q98.5Very high95.4Very high102 Ų10256.2 Ų56.248%0.47730%0.304SS..Hα-helixtrans-59.7-44.5175.8-178.8-1770.800111.9K56 K57 V58 T63 H64 F92K56-Q60 WeakPolarHBondContact O-CB 3.34Å; K56-Q60 PolarHBondContact O-N 3.46Å; K57-Q60 WeakPolarHBondContact O-CB 3.31Å; K57-Q60 PolarHBondContact O-N 3.38Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.41Å; Q60-T63 PolarHBondContact O-N 3.19Å; Q60-H64 PolarHBondContact O-N 2.93Å; Q60-H64 VanDerWaalsContact O-N 3.17Å; Q60-F92 HydrophobicContact CB-CE2 4.32Å; Q60-F92 HydrophobicContact CG-CE2 4.2Å
61W98.5Very high94Very high13 Ų1360.3 Ų60.35%0.04933%0.331CS..Hα-helixtrans-63.5-49.6178.5-170.491.4000111.4K57 V58 I59 T63 H64 H65 W88 D89 F92 I112 L115 V118K57-W61 PolarHBondContact O-N 3.23Å; V58-W61 PolarHBondContact O-N 3.26Å; V58-W61 VanDerWaalsContact O-N 3.15Å; I59-W61 PolarHBondContact O-N 3.3Å; W61-T63 VanDerWaalsContact C-N 3.31Å; W61-T63 PolarHBondContact O-N 3.27Å; W61-H64 WeakPolarHBondContact O-CB 3.33Å; W61-H64 PolarHBondContact O-N 3.33Å; W61-H64 VanDerWaalsContact O-N 3.14Å; W61-H65 AromaticContact CD1-CE1 3.72Å; W61-H65 AromaticContact CD1-ND1 3.93Å; W61-H65 AromaticContact CD2-CE1 3.94Å; W61-H65 AromaticContact CD2-ND1 3.52Å; W61-H65 AromaticContact CE2-CE1 3.31Å; W61-H65 AromaticContact CE2-CG 3.86Å; W61-H65 AromaticContact CE2-ND1 3.31Å; W61-H65 VanDerWaalsContact CE2-ND1 3.31Å; W61-H65 AromaticContact CE2-NE2 3.87Å; W61-H65 HydrophobicContact CE3-CB 4.38Å; W61-H65 AromaticContact CE3-ND1 4Å; W61-H65 AromaticContact CG-ND1 3.91Å; W61-H65 HydrophobicContact CH2-CB 3.91Å; W61-H65 AromaticContact CH2-CG 3.72Å; W61-H65 HydrophobicContact CZ2-CB 4.32Å; W61-H65 AromaticContact CZ2-CD2 3.68Å; W61-H65 AromaticContact CZ2-CE1 3.62Å; W61-H65 AromaticContact CZ2-CG 3.62Å; W61-H65 AromaticContact CZ2-ND1 3.58Å; W61-H65 AromaticContact CZ2-NE2 3.71Å; W61-H65 HydrophobicContact CZ3-CB 3.95Å; W61-H65 AromaticContact NE1-CE1 3.15Å; W61-H65 PolarHBondContact NE1-CE1 3.36Å; W61-H65 AromaticContact NE1-ND1 3.57Å; W61-H65 AromaticContact NE1-NE2 3.87Å; W61-H65 PolarHBondContact O-N 3.1Å; W61-H65 VanDerWaalsContact O-N 3.1Å; W61-H65 PolarHBondContact O-ND1 2.83Å; W61-W88 AromaticContact CD1-CZ3 3.71Å; W61-W88 HydrophobicContact CG-CZ3 4.42Å; W61-D89 PolarHBondContact NE1-OD1 2.99Å; W61-F92 HydrophobicContact CB-CE1 3.94Å; W61-F92 HydrophobicContact CB-CE2 4.36Å; W61-F92 HydrophobicContact CB-CZ 3.76Å; W61-F92 AromaticContact CD1-CD1 3.64Å; W61-F92 AromaticContact CD1-CE1 3.55Å; W61-F92 HydrophobicContact CG-CE1 4.08Å; W61-F92 HydrophobicContact CG-CZ 4.39Å; W61-I112 HydrophobicContact CE3-CG2 4.21Å; W61-I112 HydrophobicContact CZ3-CG2 3.92Å; W61-L115 HydrophobicContact CB-CD1 4.35Å; W61-L115 HydrophobicContact CD2-CB 3.9Å; W61-L115 HydrophobicContact CD2-CD1 3.96Å; W61-L115 HydrophobicContact CD2-CG 4.37Å; W61-L115 HydrophobicContact CE3-CB 3.88Å; W61-L115 HydrophobicContact CG-CD1 3.73Å; W61-L115 HydrophobicContact CG-CG 4.5Å; W61-L115 HydrophobicContact CH2-CB 4.38Å; W61-L115 HydrophobicContact CZ2-CB 4.35Å; W61-L115 HydrophobicContact CZ3-CB 4.13Å; W61-V118 HydrophobicContact CZ2-CG2 4.37Å
62C97.9Very high92.5Very high6 Ų662.8 Ų62.84%0.04135%0.349CS..Hα-helixtrans-60.3-42.5176.8-67.80000111.1I20 Q23 V58 I59 H64 H65 K66I20-C62 HydrophobicContact CG2-CB 3.7Å; Q23-C62 HydrophobicContact CB-CB 4.4Å; Q23-C62 PolarHBondContact NE2-O 2.99Å; V58-C62 PolarHBondContact O-N 2.99Å; V58-C62 PolarHBondContact O-SG 3.26Å; I59-C62 PolarHBondContact O-N 3.26Å; C62-H64 PolarHBondContact O-N 3.27Å; C62-H65 PolarHBondContact O-N 3.05Å; C62-K66 WeakPolarHBondContact O-CB 3.36Å; C62-K66 PolarHBondContact O-N 2.87Å
63T97Very high91.1Very high61 Ų6171.4 Ų71.437%0.37439%0.388SS..Hα-helixtrans-58.4-36.7178-56.60000112.1I20 I59 Q60 W61 K66I20-T63 HydrophobicContact CD1-CG2 4.01Å; I59-T63 VanDerWaalsContact O-CB 3.32Å; I59-T63 WeakPolarHBondContact O-CB 3.37Å; I59-T63 PolarHBondContact O-N 3.43Å; I59-T63 PolarHBondContact O-OG1 2.95Å; Q60-T63 PolarHBondContact O-N 3.19Å; W61-T63 VanDerWaalsContact C-N 3.31Å; W61-T63 PolarHBondContact O-N 3.27Å; T63-K66 WeakPolarHBondContact O-CG 3.17Å
64H97.2Very high89.5Confident85 Ų8574.5 Ų74.539%0.39440%0.395SS..Hα-helixtrans-71.5-43177.6-171.970.5000112.6Q60 W61 C62 W88Q60-H64 PolarHBondContact O-N 2.93Å; Q60-H64 VanDerWaalsContact O-N 3.17Å; W61-H64 WeakPolarHBondContact O-CB 3.33Å; W61-H64 PolarHBondContact O-N 3.33Å; W61-H64 VanDerWaalsContact O-N 3.14Å; C62-H64 PolarHBondContact O-N 3.27Å; H64-W88 HydrophobicContact CB-CD2 4.49Å; H64-W88 HydrophobicContact CB-CE3 4.41Å; H64-W88 HydrophobicContact CB-CH2 3.62Å; H64-W88 HydrophobicContact CB-CZ2 3.68Å; H64-W88 HydrophobicContact CB-CZ3 4Å; H64-W88 AromaticContact CD2-CD2 3.34Å; H64-W88 AromaticContact CD2-CE2 3.71Å; H64-W88 AromaticContact CD2-CE3 3.43Å; H64-W88 VanDerWaalsContact CD2-CE3 3.43Å; H64-W88 AromaticContact CD2-CG 3.78Å; H64-W88 AromaticContact CD2-CZ3 3.89Å; H64-W88 AromaticContact CE1-CD1 3.52Å; H64-W88 AromaticContact CE1-CD2 3.85Å; H64-W88 AromaticContact CE1-CE2 3.82Å; H64-W88 AromaticContact CE1-CG 3.67Å; H64-W88 AromaticContact CE1-NE1 3.59Å; H64-W88 AromaticContact CG-CD2 3.7Å; H64-W88 AromaticContact CG-CE2 3.53Å; H64-W88 AromaticContact CG-CE3 3.93Å; H64-W88 AromaticContact CG-CH2 3.9Å; H64-W88 AromaticContact CG-CZ2 3.64Å; H64-W88 AromaticContact ND1-CE2 3.61Å; H64-W88 AromaticContact ND1-CZ2 3.98Å; H64-W88 AromaticContact ND1-NE1 3.64Å; H64-W88 AromaticContact NE2-CD1 3.65Å; H64-W88 AromaticContact NE2-CD2 3.43Å; H64-W88 AromaticContact NE2-CE2 3.87Å; H64-W88 AromaticContact NE2-CE3 3.95Å; H64-W88 AromaticContact NE2-CG 3.3Å; H64-W88 VanDerWaalsContact NE2-CG 3.3Å; H64-W88 AromaticContact NE2-NE1 3.95Å
65H95.6Very high87.8Confident20 Ų2079 Ų799%0.09342%0.419CS..Hα-helixtrans-92.87.1-173-6482.3000114W61 C62 D67 D68 W88 D89W61-H65 AromaticContact CD1-CE1 3.72Å; W61-H65 AromaticContact CD1-ND1 3.93Å; W61-H65 AromaticContact CD2-CE1 3.94Å; W61-H65 AromaticContact CD2-ND1 3.52Å; W61-H65 AromaticContact CE2-CE1 3.31Å; W61-H65 AromaticContact CE2-CG 3.86Å; W61-H65 AromaticContact CE2-ND1 3.31Å; W61-H65 VanDerWaalsContact CE2-ND1 3.31Å; W61-H65 AromaticContact CE2-NE2 3.87Å; W61-H65 HydrophobicContact CE3-CB 4.38Å; W61-H65 AromaticContact CE3-ND1 4Å; W61-H65 AromaticContact CG-ND1 3.91Å; W61-H65 HydrophobicContact CH2-CB 3.91Å; W61-H65 AromaticContact CH2-CG 3.72Å; W61-H65 HydrophobicContact CZ2-CB 4.32Å; W61-H65 AromaticContact CZ2-CD2 3.68Å; W61-H65 AromaticContact CZ2-CE1 3.62Å; W61-H65 AromaticContact CZ2-CG 3.62Å; W61-H65 AromaticContact CZ2-ND1 3.58Å; W61-H65 AromaticContact CZ2-NE2 3.71Å; W61-H65 HydrophobicContact CZ3-CB 3.95Å; W61-H65 AromaticContact NE1-CE1 3.15Å; W61-H65 PolarHBondContact NE1-CE1 3.36Å; W61-H65 AromaticContact NE1-ND1 3.57Å; W61-H65 AromaticContact NE1-NE2 3.87Å; W61-H65 PolarHBondContact O-N 3.1Å; W61-H65 VanDerWaalsContact O-N 3.1Å; W61-H65 PolarHBondContact O-ND1 2.83Å; C62-H65 PolarHBondContact O-N 3.05Å; H65-D67 PolarHBondContact O-N 3.01Å; H65-D68 IonicContact CD2-OD2 4Å; H65-D68 PolarHBondContact CD2-OD2 2.97Å; H65-D68 IonicContact CG-OD2 3.85Å; H65-D68 WeakPolarHBondContact O-CB 3.43Å; H65-D68 PolarHBondContact O-N 3.25Å; H65-D68 VanDerWaalsContact O-N 3.15Å; H65-W88 AromaticContact CE1-CE3 3.61Å; H65-W88 AromaticContact CE1-CZ3 3.54Å; H65-D89 IonicContact CE1-OD1 3.91Å; H65-D89 PolarHBondContact CE1-OD1 3.39Å; H65-D89 IonicContact CE1-OD2 3.07Å; H65-D89 IonicContact NE2-OD1 3.04Å; H65-D89 PolarHBondContact NE2-OD1 3.03Å; H65-D89 IonicContact NE2-OD2 3.29Å; H65-D89 PolarHBondContact NE2-OD2 3.4Å
66K92.8Very high86.2Confident93 Ų9388 Ų8840%0.40446%0.461SS..THydrogen-bonded Turntrans-62.6-27.3-175.970.1177.2-170.1146.10114.4I20 C62 T63I20-K66 HydrophobicContact CD1-CD 4.39Å; I20-K66 HydrophobicContact CG1-CB 4.48Å; I20-K66 HydrophobicContact CG1-CD 4.07Å; C62-K66 WeakPolarHBondContact O-CB 3.36Å; C62-K66 PolarHBondContact O-N 2.87Å; T63-K66 WeakPolarHBondContact O-CG 3.17Å
67D91.6Very high84.5Confident133 Ų13388.3 Ų88.371%0.71147%0.47SS*.THydrogen-bonded Turntrans-101.42.8-177.9-59.6-51.2000111.7H65H65-D67 PolarHBondContact O-N 3.01Å
68D90.7Very high83Confident89 Ų8991.3 Ų91.348%0.47648%0.483SS..SBendtrans-72.2149.2180-79.41.2000111.1H65H65-D68 IonicContact CD2-OD2 4Å; H65-D68 PolarHBondContact CD2-OD2 2.97Å; H65-D68 IonicContact CG-OD2 3.85Å; H65-D68 WeakPolarHBondContact O-CB 3.43Å; H65-D68 PolarHBondContact O-N 3.25Å; H65-D68 VanDerWaalsContact O-N 3.15Å
69P84.5Confident81.6Confident110 Ų11098.8 Ų98.871%0.71452%0.517SS*.PPolyproline II helixtrans-59143.2171.426.4-33.3000109.3
70P74.2Confident80.5Confident115 Ų115106.8 Ų106.875%0.74755%0.551SS**PPolyproline II helixtrans-50.4139.7174.2-24.932.3000110.1
71P68.6Low79.7Confident88 Ų88108 Ų10857%0.57155%0.551SS**PPolyproline II helixtrans-54139.9173.121.5-29.8000108.3E73P71-E73 PolarHBondContact O-N 3.35Å
72P67.7Low79.1Confident92 Ų92108.8 Ų108.860%0.59756%0.557SS**PPolyproline II helixtrans-52.7140.4173.622.5-30.6000108.1
73E68.8Low78.6Confident185 Ų185113.9 Ų113.986%0.86459%0.585SS**PPolyproline II helixtrans-49.1148.9171.7-67.8-168.4155.800109.1P71 D75P71-E73 PolarHBondContact O-N 3.35Å; E73-D75 PolarHBondContact O-N 3.49Å
74D64.5Low78.2Confident133 Ų133113.6 Ų113.671%0.71158%0.58SS**  trans-56.485.2177.3-81.1-47.6000109.2E76D74-E76 VanDerWaalsContact C-N 3.3Å; D74-E76 PolarHBondContact O-N 2.78Å
75D62.7Low78Confident100 Ų100110.1 Ų110.154%0.53557%0.565SS.*  trans-73.798.4165.1-167.9-12.4000103.9E73 N77 K78E73-D75 PolarHBondContact O-N 3.49Å; D75-N77 PolarHBondContact O-N 2.87Å; D75-N77 WeakPolarHBondContact OD1-CB 3.42Å; D75-N77 PolarHBondContact OD1-N 3.31Å; D75-N77 PolarHBondContact OD1-ND2 3.45Å; D75-K78 HydrophobicContact CB-CB 4.38Å; D75-K78 WeakPolarHBondContact O-CB 3.44Å; D75-K78 PolarHBondContact O-N 2.69Å
76E65.3Low77.9Confident191 Ų191112.3 Ų112.389%0.89358%0.581SS**THydrogen-bonded Turntrans-52.8-17.9-180-61.6-172.4143.400112D74D74-E76 VanDerWaalsContact C-N 3.3Å; D74-E76 PolarHBondContact O-N 2.78Å
77N63.2Low78.1Confident145 Ų145113.5 Ų113.578%0.77560%0.595SS**THydrogen-bonded Turntrans-87.4-9.6176.7-58.2-57.6000115D75 E79D75-N77 PolarHBondContact O-N 2.87Å; D75-N77 WeakPolarHBondContact OD1-CB 3.42Å; D75-N77 PolarHBondContact OD1-N 3.31Å; D75-N77 PolarHBondContact OD1-ND2 3.45Å; N77-E79 PolarHBondContact O-N 2.89Å
78K66.9Low78.4Confident121 Ų121111 Ų11153%0.52658%0.576SS.*SBendtrans-73.7123.6-179.9-168.1176.9179.5-175.10109.5D75 K80D75-K78 HydrophobicContact CB-CB 4.38Å; D75-K78 WeakPolarHBondContact O-CB 3.44Å; D75-K78 PolarHBondContact O-N 2.69Å; K78-K80 PolarHBondContact O-N 3.48Å
79E69.3Low78.7Confident162 Ų162106.9 Ų106.976%0.75755%0.554SS**  trans-54.6117.5172.6-74.9-177169.400109.8N77 R81N77-E79 PolarHBondContact O-N 2.89Å; E79-R81 VanDerWaalsContact C-N 3.27Å; E79-R81 HydrophobicContact CB-CG 4.38Å; E79-R81 PolarHBondContact O-N 2.95Å
80K74.2Confident79.3Confident199 Ų199106.1 Ų106.187%0.86554%0.541SS*.  trans-71.586174.6-67.2-170.6179.7-171.60109K78K78-K80 PolarHBondContact O-N 3.48Å
81R82.8Confident80.5Confident127 Ų127106.2 Ų106.248%0.47953%0.532SS..  trans-79.4148.2175.1-64.1-168.5-53.91767.1110.5E79 D83 D84 K121E79-R81 VanDerWaalsContact C-N 3.27Å; E79-R81 HydrophobicContact CB-CG 4.38Å; E79-R81 PolarHBondContact O-N 2.95Å; R81-D83 WeakPolarHBondContact CB-OD1 3.21Å; R81-D83 IonicContact NE-OD1 3.92Å; R81-D84 IonicContact NE-OD2 2.66Å; R81-D84 IonicContact NH2-OD2 2.82Å; R81-K121 WeakPolarHBondContact O-CE 3.32Å
82T86.2Confident81.9Confident29 Ų29103 Ų10318%0.17851%0.509CS..SBendtrans-107.5-7177.364.80000112.4A124 N125T82-A124 HydrophobicContact CG2-CB 3.79Å; T82-N125 WeakPolarHBondContact CB-OD1 3.35Å; T82-N125 PolarHBondContact O-ND2 3.4Å; T82-N125 PolarHBondContact O-OD1 2.85Å; T82-N125 PolarHBondContact OG1-OD1 3.46Å
83D85.9Confident83.3Confident114 Ų11499 Ų9961%0.6148%0.482SS*.SBendtrans-92.1-1.6-17762.4-20.2000113.7R81R81-D83 WeakPolarHBondContact CB-OD1 3.21Å; R81-D83 IonicContact NE-OD1 3.92Å
84D89.3Confident84.7Confident54 Ų5497.2 Ų97.229%0.28947%0.472SS..  trans-101.530.9-177.767.3-7.2000114.2R81 P86 K121R81-D84 IonicContact NE-OD2 2.66Å; R81-D84 IonicContact NH2-OD2 2.82Å; D84-P86 WeakPolarHBondContact O-CD 3.49Å; D84-K121 WeakPolarHBondContact OD1-CE 3.26Å; D84-K121 IonicContact OD1-NZ 3.54Å; D84-K121 PolarHBondContact OD1-NZ 3.32Å; D84-K121 IonicContact OD2-NZ 3.86Å
85I93.2Very high86.3Confident13 Ų1392.8 Ų92.87%0.06745%0.449CS..  trans-75.8125.2173-53.2176000108.9D89 Q90 V118 K121I85-D89 HydrophobicContact CG2-CB 3.63Å; I85-Q90 HydrophobicContact CB-CG 3.95Å; I85-Q90 HydrophobicContact CG2-CG 3.72Å; I85-Q90 PolarHBondContact O-NE2 3.03Å; I85-V118 HydrophobicContact CG2-CB 4.45Å; I85-V118 HydrophobicContact CG2-CG1 4.49Å; I85-K121 HydrophobicContact CD1-CB 3.72Å; I85-K121 HydrophobicContact CG1-CB 3.9Å; I85-K121 HydrophobicContact CG1-CD 4.15Å
86P94Very high87.9Confident65 Ų6592.7 Ų92.742%0.42245%0.448SS..  trans-53.2145.8174.2-27.135.4000112.7D84 W88 D89 Q90D84-P86 WeakPolarHBondContact O-CD 3.49Å; P86-W88 PolarHBondContact O-N 2.88Å; P86-D89 HydrophobicContact CB-CB 4.39Å; P86-D89 WeakPolarHBondContact CB-OD2 3.46Å; P86-D89 VanDerWaalsContact CD-OD2 3.29Å; P86-D89 WeakPolarHBondContact CD-OD2 3.33Å; P86-D89 WeakPolarHBondContact CG-OD2 3.32Å; P86-D89 WeakPolarHBondContact O-CB 3.29Å; P86-D89 PolarHBondContact O-N 2.71Å; P86-D89 VanDerWaalsContact O-N 3.07Å; P86-Q90 WeakPolarHBondContact O-CG 3.48Å; P86-Q90 PolarHBondContact O-N 2.81Å
87V96.3Very high89.3Confident118 Ų11886.8 Ų86.872%0.71542%0.421SS*.Hα-helixtrans-59.6-36-176.7177.80000111.8Q90 E91V87-Q90 PolarHBondContact O-N 3.16Å; V87-E91 PolarHBondContact O-N 2.84Å; V87-E91 VanDerWaalsContact O-N 3.15Å
88W97.8Very high90.9Very high81 Ų8181.7 Ų81.731%0.30740%0.403SS..Hα-helixtrans-64.2-44.9176.4-171.893.7000111.4W61 H64 H65 P86 Q90 E91 F92W61-W88 AromaticContact CD1-CZ3 3.71Å; W61-W88 HydrophobicContact CG-CZ3 4.42Å; H64-W88 HydrophobicContact CB-CD2 4.49Å; H64-W88 HydrophobicContact CB-CE3 4.41Å; H64-W88 HydrophobicContact CB-CH2 3.62Å; H64-W88 HydrophobicContact CB-CZ2 3.68Å; H64-W88 HydrophobicContact CB-CZ3 4Å; H64-W88 AromaticContact CD2-CD2 3.34Å; H64-W88 AromaticContact CD2-CE2 3.71Å; H64-W88 AromaticContact CD2-CE3 3.43Å; H64-W88 VanDerWaalsContact CD2-CE3 3.43Å; H64-W88 AromaticContact CD2-CG 3.78Å; H64-W88 AromaticContact CD2-CZ3 3.89Å; H64-W88 AromaticContact CE1-CD1 3.52Å; H64-W88 AromaticContact CE1-CD2 3.85Å; H64-W88 AromaticContact CE1-CE2 3.82Å; H64-W88 AromaticContact CE1-CG 3.67Å; H64-W88 AromaticContact CE1-NE1 3.59Å; H64-W88 AromaticContact CG-CD2 3.7Å; H64-W88 AromaticContact CG-CE2 3.53Å; H64-W88 AromaticContact CG-CE3 3.93Å; H64-W88 AromaticContact CG-CH2 3.9Å; H64-W88 AromaticContact CG-CZ2 3.64Å; H64-W88 AromaticContact ND1-CE2 3.61Å; H64-W88 AromaticContact ND1-CZ2 3.98Å; H64-W88 AromaticContact ND1-NE1 3.64Å; H64-W88 AromaticContact NE2-CD1 3.65Å; H64-W88 AromaticContact NE2-CD2 3.43Å; H64-W88 AromaticContact NE2-CE2 3.87Å; H64-W88 AromaticContact NE2-CE3 3.95Å; H64-W88 AromaticContact NE2-CG 3.3Å; H64-W88 VanDerWaalsContact NE2-CG 3.3Å; H64-W88 AromaticContact NE2-NE1 3.95Å; H65-W88 AromaticContact CE1-CE3 3.61Å; H65-W88 AromaticContact CE1-CZ3 3.54Å; P86-W88 PolarHBondContact O-N 2.88Å; W88-Q90 VanDerWaalsContact C-N 3.34Å; W88-Q90 PolarHBondContact O-N 3.36Å; W88-E91 PolarHBondContact O-N 3.19Å; W88-F92 HydrophobicContact CD2-CB 4.49Å; W88-F92 HydrophobicContact CE3-CB 3.95Å; W88-F92 HydrophobicContact CE3-CG 4.43Å; W88-F92 HydrophobicContact CH2-CB 4.07Å; W88-F92 AromaticContact CH2-CD2 3.58Å; W88-F92 HydrophobicContact CH2-CD2 3.58Å; W88-F92 HydrophobicContact CH2-CE2 4.21Å; W88-F92 AromaticContact CH2-CG 3.85Å; W88-F92 HydrophobicContact CH2-CG 3.85Å; W88-F92 HydrophobicContact CZ2-CD2 4.28Å; W88-F92 HydrophobicContact CZ3-CB 3.71Å; W88-F92 HydrophobicContact CZ3-CD1 4.26Å; W88-F92 AromaticContact CZ3-CD2 3.95Å; W88-F92 HydrophobicContact CZ3-CD2 3.95Å; W88-F92 AromaticContact CZ3-CG 3.7Å; W88-F92 HydrophobicContact CZ3-CG 3.7Å; W88-F92 WeakPolarHBondContact O-CB 3.43Å; W88-F92 PolarHBondContact O-N 3.28Å
89D97.8Very high92.4Very high2 Ų277.2 Ų77.21%0.01139%0.386CS..Hα-helixtrans-63.1-39.7176.2-71.2-46.1000112.3W61 H65 I85 P86 E91 F92 L93 V118W61-D89 PolarHBondContact NE1-OD1 2.99Å; H65-D89 IonicContact CE1-OD1 3.91Å; H65-D89 PolarHBondContact CE1-OD1 3.39Å; H65-D89 IonicContact CE1-OD2 3.07Å; H65-D89 IonicContact NE2-OD1 3.04Å; H65-D89 PolarHBondContact NE2-OD1 3.03Å; H65-D89 IonicContact NE2-OD2 3.29Å; H65-D89 PolarHBondContact NE2-OD2 3.4Å; I85-D89 HydrophobicContact CG2-CB 3.63Å; P86-D89 HydrophobicContact CB-CB 4.39Å; P86-D89 WeakPolarHBondContact CB-OD2 3.46Å; P86-D89 VanDerWaalsContact CD-OD2 3.29Å; P86-D89 WeakPolarHBondContact CD-OD2 3.33Å; P86-D89 WeakPolarHBondContact CG-OD2 3.32Å; P86-D89 WeakPolarHBondContact O-CB 3.29Å; P86-D89 PolarHBondContact O-N 2.71Å; P86-D89 VanDerWaalsContact O-N 3.07Å; D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.01Å; D89-F92 PolarHBondContact O-N 3.04Å; D89-L93 VanDerWaalsContact O-CB 3.28Å; D89-L93 WeakPolarHBondContact O-CB 3.35Å; D89-L93 VanDerWaalsContact O-CG 3.25Å; D89-L93 WeakPolarHBondContact O-CG 3.4Å; D89-L93 PolarHBondContact O-N 3.44Å; D89-V118 HydrophobicContact CB-CB 4.42Å; D89-V118 HydrophobicContact CB-CG1 4.43Å
90Q97.1Very high93.8Very high95 Ų9569.8 Ų69.844%0.44435%0.351SS..Hα-helixtrans-58.4-42.1174.8-67.8179.738.800111.4I85 P86 V87 W88 K94I85-Q90 HydrophobicContact CB-CG 3.95Å; I85-Q90 HydrophobicContact CG2-CG 3.72Å; I85-Q90 PolarHBondContact O-NE2 3.03Å; P86-Q90 WeakPolarHBondContact O-CG 3.48Å; P86-Q90 PolarHBondContact O-N 2.81Å; V87-Q90 PolarHBondContact O-N 3.16Å; W88-Q90 VanDerWaalsContact C-N 3.34Å; W88-Q90 PolarHBondContact O-N 3.36Å; Q90-K94 WeakPolarHBondContact O-CG 3.45Å; Q90-K94 PolarHBondContact O-N 2.94Å
91E98.1Very high94.9Very high117 Ų11764 Ų6455%0.54733%0.326SS..Hα-helixtrans-71.4-43.6176.7-17162.2-149.200111.8V87 W88 D89 L93 K94V87-E91 PolarHBondContact O-N 2.84Å; V87-E91 VanDerWaalsContact O-N 3.15Å; W88-E91 PolarHBondContact O-N 3.19Å; D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.01Å; E91-L93 VanDerWaalsContact C-N 3.25Å; E91-L93 PolarHBondContact O-N 2.85Å; E91-K94 WeakPolarHBondContact O-CB 3.45Å; E91-K94 PolarHBondContact O-N 3.46Å; E91-K94 VanDerWaalsContact O-N 3.13Å; E91-K94 WeakPolarHBondContact OE2-CD 3.43Å; E91-K94 WeakPolarHBondContact OE2-CE 3.41Å; E91-K94 IonicContact OE2-NZ 3.95Å; E91-K94 PolarHBondContact OE2-NZ 3.37Å
92F98.5Very high95.7Very high20 Ų2062 Ų629%0.08832%0.322CS..Hα-helixtrans-58.8-37.5178174.9-99.2000112.3K57 Q60 W61 W88 D89 L103 L115K57-F92 HydrophobicContact CB-CE2 4.38Å; K57-F92 HydrophobicContact CB-CZ 4Å; K57-F92 VanDerWaalsContact O-CZ 3.29Å; K57-F92 WeakPolarHBondContact O-CZ 3.36Å; Q60-F92 HydrophobicContact CB-CE2 4.32Å; Q60-F92 HydrophobicContact CG-CE2 4.2Å; W61-F92 HydrophobicContact CB-CE1 3.94Å; W61-F92 HydrophobicContact CB-CE2 4.36Å; W61-F92 HydrophobicContact CB-CZ 3.76Å; W61-F92 AromaticContact CD1-CD1 3.64Å; W61-F92 AromaticContact CD1-CE1 3.55Å; W61-F92 HydrophobicContact CG-CE1 4.08Å; W61-F92 HydrophobicContact CG-CZ 4.39Å; W88-F92 HydrophobicContact CD2-CB 4.49Å; W88-F92 HydrophobicContact CE3-CB 3.95Å; W88-F92 HydrophobicContact CE3-CG 4.43Å; W88-F92 HydrophobicContact CH2-CB 4.07Å; W88-F92 AromaticContact CH2-CD2 3.58Å; W88-F92 HydrophobicContact CH2-CD2 3.58Å; W88-F92 HydrophobicContact CH2-CE2 4.21Å; W88-F92 AromaticContact CH2-CG 3.85Å; W88-F92 HydrophobicContact CH2-CG 3.85Å; W88-F92 HydrophobicContact CZ2-CD2 4.28Å; W88-F92 HydrophobicContact CZ3-CB 3.71Å; W88-F92 HydrophobicContact CZ3-CD1 4.26Å; W88-F92 AromaticContact CZ3-CD2 3.95Å; W88-F92 HydrophobicContact CZ3-CD2 3.95Å; W88-F92 AromaticContact CZ3-CG 3.7Å; W88-F92 HydrophobicContact CZ3-CG 3.7Å; W88-F92 WeakPolarHBondContact O-CB 3.43Å; W88-F92 PolarHBondContact O-N 3.28Å; D89-F92 PolarHBondContact O-N 3.04Å; F92-L103 HydrophobicContact CE1-CD1 4.47Å; F92-L115 HydrophobicContact CE1-CD1 4.23Å
93L98.3Very high96.3Very high9 Ų960.7 Ų60.75%0.04731%0.314CS..THydrogen-bonded Turntrans-88.67.6179.9-61.7178.1000114D89 E91 V95 L100 L103 V118 T119 T122D89-L93 VanDerWaalsContact O-CB 3.28Å; D89-L93 WeakPolarHBondContact O-CB 3.35Å; D89-L93 VanDerWaalsContact O-CG 3.25Å; D89-L93 WeakPolarHBondContact O-CG 3.4Å; D89-L93 PolarHBondContact O-N 3.44Å; E91-L93 VanDerWaalsContact C-N 3.25Å; E91-L93 PolarHBondContact O-N 2.85Å; L93-V95 PolarHBondContact O-N 2.94Å; L93-L100 HydrophobicContact CD2-CD1 4.09Å; L93-L103 HydrophobicContact CD2-CD1 4.2Å; L93-V118 HydrophobicContact CD1-CB 4.14Å; L93-V118 HydrophobicContact CD1-CG2 4.02Å; L93-V118 WeakPolarHBondContact CD1-O 3.27Å; L93-T119 HydrophobicContact CD1-CG2 4.24Å; L93-T119 HydrophobicContact CD2-CG2 3.66Å; L93-T122 HydrophobicContact CB-CG2 4.44Å; L93-T122 WeakPolarHBondContact CD1-OG1 3.29Å
94K97.2Very high96.9Very high147 Ų14756.8 Ų56.864%0.63929%0.293SS*.  trans-74.469.9167.1-77.3172.4-169.1174.20110.9Q90 E91Q90-K94 WeakPolarHBondContact O-CG 3.45Å; Q90-K94 PolarHBondContact O-N 2.94Å; E91-K94 WeakPolarHBondContact O-CB 3.45Å; E91-K94 PolarHBondContact O-N 3.46Å; E91-K94 VanDerWaalsContact O-N 3.13Å; E91-K94 WeakPolarHBondContact OE2-CD 3.43Å; E91-K94 WeakPolarHBondContact OE2-CE 3.41Å; E91-K94 IonicContact OE2-NZ 3.95Å; E91-K94 PolarHBondContact OE2-NZ 3.37Å
95V97.9Very high97.3Very high39 Ų3959.9 Ų59.924%0.23631%0.309CS..SBendtrans-124.5168.6-178.8-57.80000109.6L93 T99 L100L93-V95 PolarHBondContact O-N 2.94Å; V95-T99 HydrophobicContact CB-CG2 3.92Å; V95-T99 HydrophobicContact CG1-CG2 4.22Å; V95-T99 HydrophobicContact CG2-CG2 3.96Å; V95-L100 HydrophobicContact CG2-CB 3.93Å
96D96.7Very high97.6Very high98 Ų9859.4 Ų59.452%0.52431%0.307SS..  trans-67.6159.5170.26994.2000111.2G98 T99 L100D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.08Å; D96-G98 WeakPolarHBondContact OD1-CA 3.36Å; D96-G98 PolarHBondContact OD1-N 2.92Å; D96-T99 PolarHBondContact O-N 2.85Å; D96-T99 PolarHBondContact OD1-N 3.34Å; D96-T99 WeakPolarHBondContact OD2-CB 3.49Å; D96-T99 PolarHBondContact OD2-OG1 3.26Å; D96-L100 PolarHBondContact O-N 3.44Å
97Q95.1Very high97.8Very high68 Ų6856.3 Ų56.332%0.31829%0.286SS..Hα-helixtrans-59.8-35.5-176.9-67.3-175.319.900113.2L100 F101 M126 T138Q97-L100 PolarHBondContact O-N 2.78Å; Q97-F101 HydrophobicContact CB-CD2 4.5Å; Q97-F101 HydrophobicContact CB-CE2 4.05Å; Q97-F101 WeakPolarHBondContact O-CD2 3.39Å; Q97-F101 WeakPolarHBondContact O-CG 3.4Å; Q97-F101 PolarHBondContact O-N 3.04Å; Q97-M126 HydrophobicContact CG-CE 3.95Å; Q97-T138 PolarHBondContact NE2-O 2.84Å; Q97-T138 VanDerWaalsContact NE2-O 3.09Å; Q97-T138 PolarHBondContact OE1-O 3.48Å
98G96.5Very high97.9Very high38 Ų3855.8 Ų55.839%0.39228%0.28SS..Hα-helixtrans-61.8-51.3178.800000110.4D96 L100 F101 E102D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.08Å; D96-G98 WeakPolarHBondContact OD1-CA 3.36Å; D96-G98 PolarHBondContact OD1-N 2.92Å; G98-L100 VanDerWaalsContact C-N 3.31Å; G98-L100 PolarHBondContact O-N 2.64Å; G98-F101 PolarHBondContact O-N 3.27Å; G98-E102 WeakPolarHBondContact O-CG 3.27Å; G98-E102 PolarHBondContact O-N 3.37Å
99T98.1Very high97.9Very high27 Ų2755.3 Ų55.317%0.16628%0.278CS..Hα-helixtrans-58.7-40.5174.4-59.70000112.3I54 K57 V95 D96 E102 L103I54-T99 HydrophobicContact CD1-CG2 3.97Å; K57-T99 HydrophobicContact CD-CG2 4.15Å; V95-T99 HydrophobicContact CB-CG2 3.92Å; V95-T99 HydrophobicContact CG1-CG2 4.22Å; V95-T99 HydrophobicContact CG2-CG2 3.96Å; D96-T99 PolarHBondContact O-N 2.85Å; D96-T99 PolarHBondContact OD1-N 3.34Å; D96-T99 WeakPolarHBondContact OD2-CB 3.49Å; D96-T99 PolarHBondContact OD2-OG1 3.26Å; T99-E102 PolarHBondContact O-N 2.83Å; T99-L103 HydrophobicContact CG2-CD1 4.24Å; T99-L103 WeakPolarHBondContact O-CB 3.47Å; T99-L103 WeakPolarHBondContact O-CG 3.25Å; T99-L103 PolarHBondContact O-N 3.22Å
100L98.3Very high97.9Very high5 Ų555.3 Ų55.33%0.02628%0.278CS..Hα-helixtrans-63.4-43178.1-17860.7000111.9L93 V95 D96 Q97 G98 L103 I104 T119 T122 V123 M126L93-L100 HydrophobicContact CD2-CD1 4.09Å; V95-L100 HydrophobicContact CG2-CB 3.93Å; D96-L100 PolarHBondContact O-N 3.44Å; Q97-L100 PolarHBondContact O-N 2.78Å; G98-L100 VanDerWaalsContact C-N 3.31Å; G98-L100 PolarHBondContact O-N 2.64Å; L100-L103 WeakPolarHBondContact O-CB 3Å; L100-L103 PolarHBondContact O-N 3.03Å; L100-I104 HydrophobicContact CG-CD1 4.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.5Å; L100-I104 PolarHBondContact O-N 3.43Å; L100-T119 HydrophobicContact CD1-CG2 4.09Å; L100-T122 HydrophobicContact CD1-CG2 4.4Å; L100-T122 HydrophobicContact CD2-CG2 3.86Å; L100-V123 HydrophobicContact CD2-CG2 3.69Å; L100-V123 HydrophobicContact CG-CG2 4.17Å; L100-M126 HydrophobicContact CD2-SD 4.09Å
101F98Very high97.9Very high78 Ų7853.6 Ų53.634%0.34227%0.272SS..Hα-helixtrans-68.3-39.2176.9-64.3-40.2000112.5Q97 G98 L103 I104 L105 V123 F139Q97-F101 HydrophobicContact CB-CD2 4.5Å; Q97-F101 HydrophobicContact CB-CE2 4.05Å; Q97-F101 WeakPolarHBondContact O-CD2 3.39Å; Q97-F101 WeakPolarHBondContact O-CG 3.4Å; Q97-F101 PolarHBondContact O-N 3.04Å; G98-F101 PolarHBondContact O-N 3.27Å; F101-L103 VanDerWaalsContact C-N 3.3Å; F101-L103 PolarHBondContact O-N 3.34Å; F101-I104 HydrophobicContact CD1-CD1 4.07Å; F101-I104 WeakPolarHBondContact O-CB 3.49Å; F101-I104 PolarHBondContact O-N 2.88Å; F101-L105 WeakPolarHBondContact O-CG 3.4Å; F101-L105 PolarHBondContact O-N 2.56Å; F101-V123 HydrophobicContact CE1-CG2 4.09Å; F101-F139 HydrophobicContact CE1-CE1 4.4Å; F101-F139 AromaticContact CZ-CD1 3.77Å; F101-F139 HydrophobicContact CZ-CD1 3.77Å; F101-F139 AromaticContact CZ-CE1 3.82Å; F101-F139 HydrophobicContact CZ-CE1 3.82Å
102E98.5Very high97.9Very high86 Ų8648.2 Ų48.240%0.40225%0.247SC..Hα-helixtrans-63.6-37.3174-70-173.316200111.8N51 I54 G98 T99 L105 A106N51-E102 PolarHBondContact ND2-OE2 2.62Å; I54-E102 HydrophobicContact CD1-CB 3.51Å; I54-E102 HydrophobicContact CD1-CG 4.47Å; I54-E102 VanDerWaalsContact CD1-OE2 3.25Å; I54-E102 WeakPolarHBondContact CD1-OE2 3.44Å; I54-E102 HydrophobicContact CG1-CB 3.7Å; I54-E102 WeakPolarHBondContact CG1-OE2 3.37Å; I54-E102 HydrophobicContact CG2-CB 4.49Å; G98-E102 WeakPolarHBondContact O-CG 3.27Å; G98-E102 PolarHBondContact O-N 3.37Å; T99-E102 PolarHBondContact O-N 2.83Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-A106 VanDerWaalsContact O-CB 3.32Å; E102-A106 WeakPolarHBondContact O-CB 3.47Å; E102-A106 PolarHBondContact O-N 3.42Å
103L98.7Very high97.6Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-62.7-40.6171.8-77169000112.3I54 K57 V58 F92 L93 T99 L100 F101 A106 A107 T119I54-L103 HydrophobicContact CD1-CG 4.45Å; I54-L103 HydrophobicContact CG2-CD2 4.12Å; K57-L103 HydrophobicContact CB-CD2 3.86Å; K57-L103 HydrophobicContact CD-CD1 4.38Å; V58-L103 HydrophobicContact CG2-CD2 4.11Å; F92-L103 HydrophobicContact CE1-CD1 4.47Å; L93-L103 HydrophobicContact CD2-CD1 4.2Å; T99-L103 HydrophobicContact CG2-CD1 4.24Å; T99-L103 WeakPolarHBondContact O-CB 3.47Å; T99-L103 WeakPolarHBondContact O-CG 3.25Å; T99-L103 PolarHBondContact O-N 3.22Å; L100-L103 WeakPolarHBondContact O-CB 3Å; L100-L103 PolarHBondContact O-N 3.03Å; F101-L103 VanDerWaalsContact C-N 3.3Å; F101-L103 PolarHBondContact O-N 3.34Å; L103-A106 PolarHBondContact O-N 3.47Å; L103-A107 VanDerWaalsContact O-CB 3.22Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 3.24Å; L103-T119 HydrophobicContact CB-CG2 4.24Å
104I98.6Very high97.4Very high33 Ų3353.8 Ų53.817%0.16928%0.277CS..Hα-helixtrans-62-47.2175.4-70.4162.6000110.6L100 F101 A107 N108 L116 T119 V123L100-I104 HydrophobicContact CG-CD1 4.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.5Å; L100-I104 PolarHBondContact O-N 3.43Å; F101-I104 HydrophobicContact CD1-CD1 4.07Å; F101-I104 WeakPolarHBondContact O-CB 3.49Å; F101-I104 PolarHBondContact O-N 2.88Å; I104-A107 PolarHBondContact O-N 3.28Å; I104-N108 WeakPolarHBondContact O-CB 3.29Å; I104-N108 PolarHBondContact O-N 2.88Å; I104-L116 HydrophobicContact CG2-CD1 4.04Å; I104-T119 VanDerWaalsContact CG1-CB 3.45Å; I104-T119 HydrophobicContact CG1-CG2 4.33Å; I104-T119 WeakPolarHBondContact CG1-OG1 3.33Å; I104-V123 HydrophobicContact CD1-CG2 3.61Å
105L98.5Very high97.4Very high118 Ų11846.8 Ų46.862%0.61825%0.247SC*.Hα-helixtrans-63.2-43.4179.2-69.1174.2000111.5F101 E102 N108 Y109F101-L105 WeakPolarHBondContact O-CG 3.4Å; F101-L105 PolarHBondContact O-N 2.56Å; E102-L105 PolarHBondContact O-N 3.29Å; L105-N108 PolarHBondContact O-N 3.18Å; L105-Y109 VanDerWaalsContact O-CB 3.26Å; L105-Y109 WeakPolarHBondContact O-CB 3.25Å; L105-Y109 PolarHBondContact O-N 2.89Å
106A98.7Very high97.4Very high3 Ų347.1 Ų47.13%0.02525%0.248CC..Hα-helixtrans-64.9-44.6176.700000111.9V50 I54 V58 E102 L103 N108 Y109 L110V50-A106 HydrophobicContact CG1-CB 3.94Å; V50-A106 HydrophobicContact CG2-CB 3.96Å; I54-A106 HydrophobicContact CG2-CB 3.66Å; V58-A106 HydrophobicContact CG2-CB 4.06Å; E102-A106 VanDerWaalsContact O-CB 3.32Å; E102-A106 WeakPolarHBondContact O-CB 3.47Å; E102-A106 PolarHBondContact O-N 3.42Å; L103-A106 PolarHBondContact O-N 3.47Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 2.96Å; A106-Y109 PolarHBondContact O-N 3.49Å; A106-L110 VanDerWaalsContact O-CB 3.31Å; A106-L110 WeakPolarHBondContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CG 3.49Å; A106-L110 PolarHBondContact O-N 3.48Å
107A98.4Very high97.3Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-62.6-40177.900000112.1L103 I104 D111 I112 L115 L116L103-A107 VanDerWaalsContact O-CB 3.22Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 3.24Å; I104-A107 PolarHBondContact O-N 3.28Å; A107-D111 WeakPolarHBondContact O-CA 3.39Å; A107-D111 PolarHBondContact O-N 2.8Å; A107-I112 PolarHBondContact O-N 2.81Å; A107-L115 HydrophobicContact CB-CB 4.03Å; A107-L115 HydrophobicContact CB-CD2 3.85Å; A107-L115 HydrophobicContact CB-CG 3.74Å; A107-L116 HydrophobicContact CB-CB 4.05Å
108N98.3Very high97.3Very high108 Ų10843.2 Ų43.258%0.57823%0.229SC*.Hα-helixtrans-68.2-44.9174.4179.379.1000112.1I104 L105 A106 D111 L116I104-N108 WeakPolarHBondContact O-CB 3.29Å; I104-N108 PolarHBondContact O-N 2.88Å; L105-N108 PolarHBondContact O-N 3.18Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 2.96Å; N108-D111 PolarHBondContact O-N 3.28Å; N108-L116 HydrophobicContact CB-CD1 4.24Å; N108-L116 HydrophobicContact CB-CD2 4.42Å
109Y98.4Very high97.4Very high70 Ų7041.4 Ų41.428%0.27521%0.21SC..Hα-helixtrans-62.9-42.1179170.8-109.7000112.6T26 L47 N49 V50 L105 A106 D111T26-Y109 PolarHBondContact OG1-O 3.44Å; L47-Y109 HydrophobicContact CD2-CE1 4.42Å; N49-Y109 HydrophobicContact CB-CD1 4Å; N49-Y109 HydrophobicContact CB-CD2 4.15Å; N49-Y109 HydrophobicContact CB-CE1 4.04Å; N49-Y109 HydrophobicContact CB-CE2 4.19Å; N49-Y109 HydrophobicContact CB-CG 4.07Å; N49-Y109 WeakPolarHBondContact ND2-CD2 3.15Å; N49-Y109 WeakPolarHBondContact ND2-CE2 3.44Å; V50-Y109 HydrophobicContact CG2-CD1 3.74Å; V50-Y109 HydrophobicContact CG2-CE1 4.2Å; L105-Y109 VanDerWaalsContact O-CB 3.26Å; L105-Y109 WeakPolarHBondContact O-CB 3.25Å; L105-Y109 PolarHBondContact O-N 2.89Å; A106-Y109 PolarHBondContact O-N 3.49Å; Y109-D111 VanDerWaalsContact C-N 3.29Å
110L98.1Very high97.3Very high2 Ų242.9 Ų42.91%0.0122%0.221CC..THydrogen-bonded Turntrans-85-2.1178.9-62.8174.8000112.9S24 T26 I27 L47 V50 V58 A106 I112S24-L110 WeakPolarHBondContact CA-O 3.28Å; S24-L110 VanDerWaalsContact CB-O 3.27Å; S24-L110 WeakPolarHBondContact CB-O 3.35Å; S24-L110 PolarHBondContact OG-O 3.08Å; T26-L110 PolarHBondContact OG1-O 3.34Å; I27-L110 HydrophobicContact CD1-CD2 4.25Å; I27-L110 HydrophobicContact CG1-CD2 4.44Å; L47-L110 HydrophobicContact CD1-CD2 4.11Å; L47-L110 HydrophobicContact CD2-CD2 3.8Å; V50-L110 HydrophobicContact CG2-CD1 4.35Å; V50-L110 HydrophobicContact CG2-CG 4.46Å; V58-L110 HydrophobicContact CG1-CD1 4Å; A106-L110 VanDerWaalsContact O-CB 3.31Å; A106-L110 WeakPolarHBondContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CG 3.49Å; A106-L110 PolarHBondContact O-N 3.48Å; L110-I112 HydrophobicContact CB-CD1 3.79Å; L110-I112 HydrophobicContact CB-CG1 3.87Å; L110-I112 HydrophobicContact CD1-CD1 4.04Å
111D97Very high97.2Very high59 Ų5944 Ų4432%0.31623%0.226SC..THydrogen-bonded Turntrans4861.7-174.2-168.87.3000112.3V25 A107 N108 Y109V25-D111 HydrophobicContact CB-CB 3.95Å; V25-D111 WeakPolarHBondContact CB-OD2 3.44Å; V25-D111 HydrophobicContact CG2-CB 4.46Å; V25-D111 PolarHBondContact N-O 2.82Å; A107-D111 WeakPolarHBondContact O-CA 3.39Å; A107-D111 PolarHBondContact O-N 2.8Å; N108-D111 PolarHBondContact O-N 3.28Å; Y109-D111 VanDerWaalsContact C-N 3.29Å
112I97Very high97.2Very high4 Ų441.5 Ų41.52%0.02122%0.217CC..  trans-107.784.7175.2-54.6169.9000107.8V58 W61 A107 L110 G114 L115 L116V58-I112 HydrophobicContact CG1-CD1 3.37Å; W61-I112 HydrophobicContact CE3-CG2 4.21Å; W61-I112 HydrophobicContact CZ3-CG2 3.92Å; A107-I112 PolarHBondContact O-N 2.81Å; L110-I112 HydrophobicContact CB-CD1 3.79Å; L110-I112 HydrophobicContact CB-CG1 3.87Å; L110-I112 HydrophobicContact CD1-CD1 4.04Å; I112-G114 VanDerWaalsContact C-N 3.35Å; I112-G114 PolarHBondContact O-N 2.87Å; I112-L115 HydrophobicContact CB-CB 4.23Å; I112-L115 HydrophobicContact CG2-CB 3.68Å; I112-L115 PolarHBondContact O-N 2.77Å; I112-L116 PolarHBondContact O-N 3.22Å
113K94.1Very high97Very high123 Ų12338.5 Ų38.554%0.53520%0.204SC..Hα-helixtrans-54.4-44.5-171.1-63.2-174.1179.7-173.50114.1L116 D117K113-L116 PolarHBondContact O-N 2.88Å; K113-D117 WeakPolarHBondContact O-CB 3.41Å; K113-D117 PolarHBondContact O-N 3.17Å
114G94.1Very high96.9Very high23 Ų2340.2 Ų40.224%0.23722%0.218CC..Hα-helixtrans-62.2-47.6-179.400000112.3I112 L116 D117 V118I112-G114 VanDerWaalsContact C-N 3.35Å; I112-G114 PolarHBondContact O-N 2.87Å; G114-L116 PolarHBondContact O-N 2.86Å; G114-D117 PolarHBondContact O-N 3.15Å; G114-V118 WeakPolarHBondContact O-CG2 3.43Å; G114-V118 PolarHBondContact O-N 3.32Å; G114-V118 VanDerWaalsContact O-N 3.08Å
115L97.2Very high96.7Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-63.5-41.2176.2-179.458.4000111.6V58 W61 F92 A107 I112 D117 V118 T119V58-L115 HydrophobicContact CG1-CD2 4.39Å; V58-L115 HydrophobicContact CG2-CD2 4.02Å; W61-L115 HydrophobicContact CB-CD1 4.35Å; W61-L115 HydrophobicContact CD2-CB 3.9Å; W61-L115 HydrophobicContact CD2-CD1 3.96Å; W61-L115 HydrophobicContact CD2-CG 4.37Å; W61-L115 HydrophobicContact CE3-CB 3.88Å; W61-L115 HydrophobicContact CG-CD1 3.73Å; W61-L115 HydrophobicContact CG-CG 4.5Å; W61-L115 HydrophobicContact CH2-CB 4.38Å; W61-L115 HydrophobicContact CZ2-CB 4.35Å; W61-L115 HydrophobicContact CZ3-CB 4.13Å; F92-L115 HydrophobicContact CE1-CD1 4.23Å; A107-L115 HydrophobicContact CB-CB 4.03Å; A107-L115 HydrophobicContact CB-CD2 3.85Å; A107-L115 HydrophobicContact CB-CG 3.74Å; I112-L115 HydrophobicContact CB-CB 4.23Å; I112-L115 HydrophobicContact CG2-CB 3.68Å; I112-L115 PolarHBondContact O-N 2.77Å; L115-D117 VanDerWaalsContact C-N 3.34Å; L115-D117 PolarHBondContact O-N 3.45Å; L115-V118 HydrophobicContact CD1-CG2 4.35Å; L115-V118 WeakPolarHBondContact O-CG2 3.28Å; L115-T119 HydrophobicContact CD1-CG2 3.8Å; L115-T119 HydrophobicContact CG-CG2 4.31Å; L115-T119 WeakPolarHBondContact O-CB 3.5Å; L115-T119 WeakPolarHBondContact O-CG2 3.27Å; L115-T119 PolarHBondContact O-N 2.88Å; L115-T119 PolarHBondContact O-OG1 3.01Å
116L96.9Very high96.5Very high47 Ų4738.5 Ų38.525%0.24621%0.209CC..Hα-helixtrans-62-42.3176.5-176.359.8000111.3I104 A107 N108 I112 K113 G114 T119 C120I104-L116 HydrophobicContact CG2-CD1 4.04Å; A107-L116 HydrophobicContact CB-CB 4.05Å; N108-L116 HydrophobicContact CB-CD1 4.24Å; N108-L116 HydrophobicContact CB-CD2 4.42Å; I112-L116 PolarHBondContact O-N 3.22Å; K113-L116 PolarHBondContact O-N 2.88Å; G114-L116 PolarHBondContact O-N 2.86Å; L116-T119 WeakPolarHBondContact CA-OG1 3.3Å; L116-T119 PolarHBondContact O-OG1 3.29Å; L116-C120 VanDerWaalsContact O-CB 3.26Å; L116-C120 WeakPolarHBondContact O-CB 3.46Å; L116-C120 PolarHBondContact O-N 3.37Å; L116-C120 PolarHBondContact O-SG 3.35Å
117D94.5Very high96.3Very high74 Ų7441.7 Ų41.740%0.39623%0.225SC..Hα-helixtrans-61.7-54.8177.2-176.858.2000111.8K113 G114 L115 T119 C120 K121K113-D117 WeakPolarHBondContact O-CB 3.41Å; K113-D117 PolarHBondContact O-N 3.17Å; G114-D117 PolarHBondContact O-N 3.15Å; L115-D117 VanDerWaalsContact C-N 3.34Å; L115-D117 PolarHBondContact O-N 3.45Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.45Å; D117-C120 PolarHBondContact O-N 3.42Å; D117-K121 VanDerWaalsContact CG-CE 3.48Å; D117-K121 WeakPolarHBondContact O-CB 3.38Å; D117-K121 WeakPolarHBondContact O-CG 3.37Å; D117-K121 PolarHBondContact O-N 3.02Å; D117-K121 VanDerWaalsContact OD1-CE 3.25Å; D117-K121 WeakPolarHBondContact OD1-CE 3.43Å; D117-K121 IonicContact OD1-NZ 3.33Å; D117-K121 WeakPolarHBondContact OD2-CE 3.42Å; D117-K121 IonicContact OD2-NZ 3.75Å; D117-K121 PolarHBondContact OD2-NZ 2.83Å
118V96.1Very high96Very high9 Ų948.3 Ų48.36%0.05525%0.254CS..Hα-helixtrans-66.4-33.1-176.3-62.80000112.8W61 I85 D89 L93 G114 L115 T122W61-V118 HydrophobicContact CZ2-CG2 4.37Å; I85-V118 HydrophobicContact CG2-CB 4.45Å; I85-V118 HydrophobicContact CG2-CG1 4.49Å; D89-V118 HydrophobicContact CB-CB 4.42Å; D89-V118 HydrophobicContact CB-CG1 4.43Å; L93-V118 HydrophobicContact CD1-CB 4.14Å; L93-V118 HydrophobicContact CD1-CG2 4.02Å; L93-V118 WeakPolarHBondContact CD1-O 3.27Å; G114-V118 WeakPolarHBondContact O-CG2 3.43Å; G114-V118 PolarHBondContact O-N 3.32Å; G114-V118 VanDerWaalsContact O-N 3.08Å; L115-V118 HydrophobicContact CD1-CG2 4.35Å; L115-V118 WeakPolarHBondContact O-CG2 3.28Å; V118-T122 WeakPolarHBondContact O-CB 3.38Å; V118-T122 PolarHBondContact O-N 3.13Å; V118-T122 PolarHBondContact O-OG1 3.36Å
119T97.9Very high95.6Very high0 Ų047.2 Ų47.20%027%0.268CS..Hα-helixtrans-70.6-43.1174.753.90000111.7L93 L100 L103 I104 L115 L116 D117 T122 V123L93-T119 HydrophobicContact CD1-CG2 4.24Å; L93-T119 HydrophobicContact CD2-CG2 3.66Å; L100-T119 HydrophobicContact CD1-CG2 4.09Å; L103-T119 HydrophobicContact CB-CG2 4.24Å; I104-T119 VanDerWaalsContact CG1-CB 3.45Å; I104-T119 HydrophobicContact CG1-CG2 4.33Å; I104-T119 WeakPolarHBondContact CG1-OG1 3.33Å; L115-T119 HydrophobicContact CD1-CG2 3.8Å; L115-T119 HydrophobicContact CG-CG2 4.31Å; L115-T119 WeakPolarHBondContact O-CB 3.5Å; L115-T119 WeakPolarHBondContact O-CG2 3.27Å; L115-T119 PolarHBondContact O-N 2.88Å; L115-T119 PolarHBondContact O-OG1 3.01Å; L116-T119 WeakPolarHBondContact CA-OG1 3.3Å; L116-T119 PolarHBondContact O-OG1 3.29Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.45Å; T119-T122 WeakPolarHBondContact O-CB 3.49Å; T119-T122 PolarHBondContact O-N 2.66Å; T119-V123 PolarHBondContact O-N 3.15Å; T119-V123 VanDerWaalsContact O-N 3.07Å
120C96.4Very high95.4Very high58 Ų5847.3 Ų47.339%0.39227%0.27SS..Hα-helixtrans-63.1-43174-710000112.2L116 D117 T122 V123 A124L116-C120 VanDerWaalsContact O-CB 3.26Å; L116-C120 WeakPolarHBondContact O-CB 3.46Å; L116-C120 PolarHBondContact O-N 3.37Å; L116-C120 PolarHBondContact O-SG 3.35Å; D117-C120 PolarHBondContact O-N 3.42Å; C120-T122 VanDerWaalsContact C-N 3.29Å; C120-T122 PolarHBondContact O-N 3Å; C120-V123 PolarHBondContact O-N 3.45Å; C120-A124 WeakPolarHBondContact O-CB 3.39Å; C120-A124 PolarHBondContact O-N 2.92Å
121K96Very high95.1Very high30 Ų3050.1 Ų50.113%0.1329%0.287CS..Hα-helixtrans-60.7-39.8175.2-74.8176.8177175.40111.8R81 D84 I85 D117 A124 N125R81-K121 WeakPolarHBondContact O-CE 3.32Å; D84-K121 WeakPolarHBondContact OD1-CE 3.26Å; D84-K121 IonicContact OD1-NZ 3.54Å; D84-K121 PolarHBondContact OD1-NZ 3.32Å; D84-K121 IonicContact OD2-NZ 3.86Å; I85-K121 HydrophobicContact CD1-CB 3.72Å; I85-K121 HydrophobicContact CG1-CB 3.9Å; I85-K121 HydrophobicContact CG1-CD 4.15Å; D117-K121 VanDerWaalsContact CG-CE 3.48Å; D117-K121 WeakPolarHBondContact O-CB 3.38Å; D117-K121 WeakPolarHBondContact O-CG 3.37Å; D117-K121 PolarHBondContact O-N 3.02Å; D117-K121 VanDerWaalsContact OD1-CE 3.25Å; D117-K121 WeakPolarHBondContact OD1-CE 3.43Å; D117-K121 IonicContact OD1-NZ 3.33Å; D117-K121 WeakPolarHBondContact OD2-CE 3.42Å; D117-K121 IonicContact OD2-NZ 3.75Å; D117-K121 PolarHBondContact OD2-NZ 2.83Å; K121-A124 PolarHBondContact O-N 3.11Å; K121-N125 PolarHBondContact O-N 3.46Å; K121-N125 PolarHBondContact O-ND2 3.42Å
122T96.8Very high94.9Very high24 Ų2450.8 Ų50.815%0.14730%0.295CS..Hα-helixtrans-59.7-48.7174.5-62.50000111.2L93 L100 V118 T119 C120 A124 N125 M126L93-T122 HydrophobicContact CB-CG2 4.44Å; L93-T122 WeakPolarHBondContact CD1-OG1 3.29Å; L100-T122 HydrophobicContact CD1-CG2 4.4Å; L100-T122 HydrophobicContact CD2-CG2 3.86Å; V118-T122 WeakPolarHBondContact O-CB 3.38Å; V118-T122 PolarHBondContact O-N 3.13Å; V118-T122 PolarHBondContact O-OG1 3.36Å; T119-T122 WeakPolarHBondContact O-CB 3.49Å; T119-T122 PolarHBondContact O-N 2.66Å; C120-T122 VanDerWaalsContact C-N 3.29Å; C120-T122 PolarHBondContact O-N 3Å; T122-A124 PolarHBondContact O-N 2.94Å; T122-N125 PolarHBondContact O-N 3.24Å; T122-M126 WeakPolarHBondContact O-CG 3.41Å; T122-M126 PolarHBondContact O-N 3.19Å; T122-M126 VanDerWaalsContact O-N 3.12Å
123V96.4Very high94.6Very high23 Ų2355.2 Ų55.214%0.13932%0.315CS..Hα-helixtrans-62.2-41.5175.7174.10000111.7L100 F101 I104 T119 C120 N125 M126 I127 F139L100-V123 HydrophobicContact CD2-CG2 3.69Å; L100-V123 HydrophobicContact CG-CG2 4.17Å; F101-V123 HydrophobicContact CE1-CG2 4.09Å; I104-V123 HydrophobicContact CD1-CG2 3.61Å; T119-V123 PolarHBondContact O-N 3.15Å; T119-V123 VanDerWaalsContact O-N 3.07Å; C120-V123 PolarHBondContact O-N 3.45Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 2.99Å; V123-M126 WeakPolarHBondContact O-CA 3.42Å; V123-M126 WeakPolarHBondContact O-CB 3.22Å; V123-M126 PolarHBondContact O-N 3.39Å; V123-I127 HydrophobicContact CG1-CD1 4.1Å; V123-I127 PolarHBondContact O-N 3.04Å; V123-F139 HydrophobicContact CG1-CE1 4.24Å; V123-F139 HydrophobicContact CG1-CZ 4.21Å
124A95.2Very high94.6Very high36 Ų3653.9 Ų53.930%0.29831%0.311SS..Hα-helixtrans-60.9-40.6176.800000112T82 C120 K121 T122 M126 I127 K128T82-A124 HydrophobicContact CG2-CB 3.79Å; C120-A124 WeakPolarHBondContact O-CB 3.39Å; C120-A124 PolarHBondContact O-N 2.92Å; K121-A124 PolarHBondContact O-N 3.11Å; T122-A124 PolarHBondContact O-N 2.94Å; A124-M126 VanDerWaalsContact C-N 3.26Å; A124-M126 PolarHBondContact O-N 3.42Å; A124-I127 PolarHBondContact O-N 3.31Å; A124-K128 PolarHBondContact O-N 3.47Å
125N94.6Very high94.7Very high65 Ų6554.7 Ų54.735%0.34831%0.31SS..Hα-helixtrans-65.1-28.1173.3-76.6-30.9000113.1T82 K121 T122 V123 I127T82-N125 WeakPolarHBondContact CB-OD1 3.35Å; T82-N125 PolarHBondContact O-ND2 3.4Å; T82-N125 PolarHBondContact O-OD1 2.85Å; T82-N125 PolarHBondContact OG1-OD1 3.46Å; K121-N125 PolarHBondContact O-N 3.46Å; K121-N125 PolarHBondContact O-ND2 3.42Å; T122-N125 PolarHBondContact O-N 3.24Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 2.99Å; N125-I127 VanDerWaalsContact C-N 3.26Å; N125-I127 PolarHBondContact O-N 2.9Å
126M94.4Very high94.6Very high51 Ų5156.7 Ų56.725%0.25132%0.317SS..Hα-helixtrans-72.5-19.2172.6-63.1175.469.600113.1Q97 L100 T122 V123 A124 K130 T138 F139Q97-M126 HydrophobicContact CG-CE 3.95Å; L100-M126 HydrophobicContact CD2-SD 4.09Å; T122-M126 WeakPolarHBondContact O-CG 3.41Å; T122-M126 PolarHBondContact O-N 3.19Å; T122-M126 VanDerWaalsContact O-N 3.12Å; V123-M126 WeakPolarHBondContact O-CA 3.42Å; V123-M126 WeakPolarHBondContact O-CB 3.22Å; V123-M126 PolarHBondContact O-N 3.39Å; A124-M126 VanDerWaalsContact C-N 3.26Å; A124-M126 PolarHBondContact O-N 3.42Å; M126-K130 WeakPolarHBondContact O-CD 3.48Å; M126-K130 WeakPolarHBondContact O-CE 3.46Å; M126-K130 PolarHBondContact O-NZ 2.91Å; M126-T138 HydrophobicContact CE-CG2 4.37Å; M126-F139 HydrophobicContact CB-CZ 4.15Å
127I94.7Very high94.4Very high69 Ų6963.3 Ų63.335%0.35434%0.344SS..Hα-helixtrans-94.5-37.4178.6-67.5163000110.9V123 A124 N125 G129 K130 I135 F139V123-I127 HydrophobicContact CG1-CD1 4.1Å; V123-I127 PolarHBondContact O-N 3.04Å; A124-I127 PolarHBondContact O-N 3.31Å; N125-I127 VanDerWaalsContact C-N 3.26Å; N125-I127 PolarHBondContact O-N 2.9Å; I127-G129 PolarHBondContact O-N 2.99Å; I127-K130 WeakPolarHBondContact O-CB 3.36Å; I127-K130 PolarHBondContact O-N 3.36Å; I127-K130 VanDerWaalsContact O-N 3.09Å; I127-I135 HydrophobicContact CG2-CD1 3.78Å; I127-I135 HydrophobicContact CG2-CG1 4.31Å; I127-F139 HydrophobicContact CD1-CE2 4.24Å; I127-F139 HydrophobicContact CD1-CZ 4.22Å; I127-F139 HydrophobicContact CG1-CE2 3.52Å; I127-F139 HydrophobicContact CG1-CZ 3.75Å
128K92.1Very high94.3Very high139 Ų13961.5 Ų61.560%0.60434%0.336SS*.THydrogen-bonded Turntrans-52.3125.3-174.2-170.3176.6-177.2174.90111.9A124 K130A124-K128 PolarHBondContact O-N 3.47Å; K128-K130 VanDerWaalsContact C-N 3.28Å; K128-K130 PolarHBondContact O-N 3.04Å
129G91.1Very high94.2Very high85 Ų8562.9 Ų62.988%0.87634%0.341SS*.THydrogen-bonded Turntrans77.24.8176.300000115.6I127I127-G129 PolarHBondContact O-N 2.99Å
130K93.8Very high94Very high72 Ų7270 Ų7031%0.31338%0.379SS..  trans-91.2150.5175.3-68.6-171179.6167.80112.3M126 I127 K128 E134 I135 T138M126-K130 WeakPolarHBondContact O-CD 3.48Å; M126-K130 WeakPolarHBondContact O-CE 3.46Å; M126-K130 PolarHBondContact O-NZ 2.91Å; I127-K130 WeakPolarHBondContact O-CB 3.36Å; I127-K130 PolarHBondContact O-N 3.36Å; I127-K130 VanDerWaalsContact O-N 3.09Å; K128-K130 VanDerWaalsContact C-N 3.28Å; K128-K130 PolarHBondContact O-N 3.04Å; K130-E134 VanDerWaalsContact CA-OE2 3.29Å; K130-E134 WeakPolarHBondContact CA-OE2 3.38Å; K130-E134 HydrophobicContact CB-CB 4Å; K130-E134 HydrophobicContact CD-CB 4.29Å; K130-E134 HydrophobicContact CG-CB 4.39Å; K130-I135 HydrophobicContact CB-CD1 4.35Å; K130-I135 HydrophobicContact CB-CG1 3.74Å; K130-T138 PolarHBondContact NZ-OG1 2.87Å
131T92.2Very high93.9Very high61 Ų6171.7 Ų71.737%0.37438%0.383SS..  trans-73.7160.4170.185.40000111.3E133 E134 I135T131-E133 WeakPolarHBondContact CB-OE2 3.5Å; T131-E133 PolarHBondContact O-N 3.15Å; T131-E133 PolarHBondContact OG1-N 3.33Å; T131-E133 PolarHBondContact OG1-OE2 3.07Å; T131-E134 PolarHBondContact N-OE2 3.07Å; T131-E134 PolarHBondContact O-N 3.13Å; T131-E134 VanDerWaalsContact O-N 3.12Å; T131-E134 PolarHBondContact OG1-N 3.45Å; T131-I135 WeakPolarHBondContact O-CG1 3.37Å; T131-I135 PolarHBondContact O-N 3.22Å
132P90.8Very high93.7Very high74 Ų7478.4 Ų78.448%0.48141%0.412SS..Hα-helixtrans-52.2-38.7173.4-28.236.9000113.6I135 R136P132-I135 PolarHBondContact O-N 2.92Å; P132-R136 WeakPolarHBondContact O-CB 3.27Å; P132-R136 VanDerWaalsContact O-CG 3.3Å; P132-R136 WeakPolarHBondContact O-CG 3.43Å; P132-R136 PolarHBondContact O-N 2.75Å
133E92.3Very high93.5Very high96 Ų9680.3 Ų80.345%0.44942%0.422SS..Hα-helixtrans-67.6-41.3178.8-5965.3-134.500111.5T131 R136 K137T131-E133 WeakPolarHBondContact CB-OE2 3.5Å; T131-E133 PolarHBondContact O-N 3.15Å; T131-E133 PolarHBondContact OG1-N 3.33Å; T131-E133 PolarHBondContact OG1-OE2 3.07Å; E133-R136 PolarHBondContact O-N 2.95Å; E133-R136 IonicContact OE1-NH1 3.83Å; E133-K137 WeakPolarHBondContact O-CB 3.32Å; E133-K137 PolarHBondContact O-N 3.29Å
134E94.4Very high93.4Very high96 Ų9685.1 Ų85.145%0.44945%0.447SS..Hα-helixtrans-67-39.3176.5-68.2-179.7135.400112K130 T131 K137 T138K130-E134 VanDerWaalsContact CA-OE2 3.29Å; K130-E134 WeakPolarHBondContact CA-OE2 3.38Å; K130-E134 HydrophobicContact CB-CB 4Å; K130-E134 HydrophobicContact CD-CB 4.29Å; K130-E134 HydrophobicContact CG-CB 4.39Å; T131-E134 PolarHBondContact N-OE2 3.07Å; T131-E134 PolarHBondContact O-N 3.13Å; T131-E134 VanDerWaalsContact O-N 3.12Å; T131-E134 PolarHBondContact OG1-N 3.45Å; E134-K137 PolarHBondContact O-N 2.8Å; E134-T138 VanDerWaalsContact O-CB 3.28Å; E134-T138 WeakPolarHBondContact O-CB 3.42Å; E134-T138 PolarHBondContact O-N 2.93Å; E134-T138 PolarHBondContact O-OG1 3.04Å
135I95.2Very high93.2Very high40 Ų4087.5 Ų87.521%0.20545%0.451CS..Hα-helixtrans-62.5-50.8173.4-66.2166000109.1I127 K130 T131 P132 K137 T138 F139I127-I135 HydrophobicContact CG2-CD1 3.78Å; I127-I135 HydrophobicContact CG2-CG1 4.31Å; K130-I135 HydrophobicContact CB-CD1 4.35Å; K130-I135 HydrophobicContact CB-CG1 3.74Å; T131-I135 WeakPolarHBondContact O-CG1 3.37Å; T131-I135 PolarHBondContact O-N 3.22Å; P132-I135 PolarHBondContact O-N 2.92Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 3.46Å; I135-T138 PolarHBondContact O-N 2.66Å; I135-F139 HydrophobicContact CG2-CD2 3.72Å; I135-F139 HydrophobicContact CG2-CE2 4.15Å; I135-F139 WeakPolarHBondContact O-CD2 3.49Å; I135-F139 PolarHBondContact O-N 3.49Å
136R94.3Very high93.2Very high42 Ų4288 Ų8816%0.15846%0.456CS..Hα-helixtrans-54.4-46.3177.7-78.8-177.7-173.2114.1-2.1112P132 E133 N140 I141 N143P132-R136 WeakPolarHBondContact O-CB 3.27Å; P132-R136 VanDerWaalsContact O-CG 3.3Å; P132-R136 WeakPolarHBondContact O-CG 3.43Å; P132-R136 PolarHBondContact O-N 2.75Å; E133-R136 PolarHBondContact O-N 2.95Å; E133-R136 IonicContact OE1-NH1 3.83Å; R136-N140 CarbonylContact O-C 3.54Å; R136-N140 VanDerWaalsContact O-CA 3.32Å; R136-N140 WeakPolarHBondContact O-CA 2.84Å; R136-N140 PolarHBondContact O-N 3.15Å; R136-I141 HydrophobicContact CB-CB 4.45Å; R136-I141 WeakPolarHBondContact CB-O 3.5Å; R136-I141 HydrophobicContact CG-CB 4.21Å; R136-I141 HydrophobicContact CG-CG2 4.4Å; R136-I141 PolarHBondContact O-N 3.14Å; R136-N143 PolarHBondContact NH2-OD1 2.9Å
137K94.2Very high93.1Very high185 Ų18594 Ų9480%0.80448%0.484SS*.Hα-helixtrans-64.8-43.2176.1-173.4179.7179.2-177.40112.4E133 E134 I135 F139E133-K137 WeakPolarHBondContact O-CB 3.32Å; E133-K137 PolarHBondContact O-N 3.29Å; E134-K137 PolarHBondContact O-N 2.8Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 3.46Å; K137-F139 PolarHBondContact O-N 3.39Å
138T92.1Very high93.2Very high36 Ų3698.7 Ų98.722%0.22150%0.504CS..Hα-helixtrans-62.5-43.3-178.1-61.30000111.5Q97 M126 K130 E134 I135Q97-T138 PolarHBondContact NE2-O 2.84Å; Q97-T138 VanDerWaalsContact NE2-O 3.09Å; Q97-T138 PolarHBondContact OE1-O 3.48Å; M126-T138 HydrophobicContact CE-CG2 4.37Å; K130-T138 PolarHBondContact NZ-OG1 2.87Å; E134-T138 VanDerWaalsContact O-CB 3.28Å; E134-T138 WeakPolarHBondContact O-CB 3.42Å; E134-T138 PolarHBondContact O-N 2.93Å; E134-T138 PolarHBondContact O-OG1 3.04Å; I135-T138 PolarHBondContact O-N 2.66Å
139F94.2Very high93.3Very high38 Ų3896.2 Ų96.217%0.16750%0.495CS..THydrogen-bonded Turntrans-101.19-174-66.2-75.5000113.3F101 V123 M126 I127 I135 K137 I141F101-F139 HydrophobicContact CE1-CE1 4.4Å; F101-F139 AromaticContact CZ-CD1 3.77Å; F101-F139 HydrophobicContact CZ-CD1 3.77Å; F101-F139 AromaticContact CZ-CE1 3.82Å; F101-F139 HydrophobicContact CZ-CE1 3.82Å; V123-F139 HydrophobicContact CG1-CE1 4.24Å; V123-F139 HydrophobicContact CG1-CZ 4.21Å; M126-F139 HydrophobicContact CB-CZ 4.15Å; I127-F139 HydrophobicContact CD1-CE2 4.24Å; I127-F139 HydrophobicContact CD1-CZ 4.22Å; I127-F139 HydrophobicContact CG1-CE2 3.52Å; I127-F139 HydrophobicContact CG1-CZ 3.75Å; I135-F139 HydrophobicContact CG2-CD2 3.72Å; I135-F139 HydrophobicContact CG2-CE2 4.15Å; I135-F139 WeakPolarHBondContact O-CD2 3.49Å; I135-F139 PolarHBondContact O-N 3.49Å; K137-F139 PolarHBondContact O-N 3.39Å; F139-I141 HydrophobicContact CB-CD1 3.74Å; F139-I141 HydrophobicContact CB-CG1 3.81Å; F139-I141 PolarHBondContact O-N 3.4Å
140N92.9Very high93.4Very high151 Ų15195.5 Ų95.581%0.80747%0.468SS*.THydrogen-bonded Turntrans51.641.5-177.6-16746000113.4R136R136-N140 CarbonylContact O-C 3.54Å; R136-N140 VanDerWaalsContact O-CA 3.32Å; R136-N140 WeakPolarHBondContact O-CA 2.84Å; R136-N140 PolarHBondContact O-N 3.15Å
141I94Very high93.3Very high93 Ų9395 Ų9548%0.47748%0.478SS..  trans-89.9123.2178.2-56.3168.9000108.3R136 F139R136-I141 HydrophobicContact CB-CB 4.45Å; R136-I141 WeakPolarHBondContact CB-O 3.5Å; R136-I141 HydrophobicContact CG-CB 4.21Å; R136-I141 HydrophobicContact CG-CG2 4.4Å; R136-I141 PolarHBondContact O-N 3.14Å; F139-I141 HydrophobicContact CB-CD1 3.74Å; F139-I141 HydrophobicContact CB-CG1 3.81Å; F139-I141 PolarHBondContact O-N 3.4Å
142K92.9Very high93.4Very high170 Ų17097.6 Ų97.674%0.73949%0.485SS*.  trans-65.8135.7174.5-177.8-176.2173.7-168.80109.7D144K142-D144 PolarHBondContact O-N 3.17Å
143N92.3Very high93.5Very high65 Ų6596.9 Ų96.935%0.34848%0.48SS..  trans-73.2105.9164.1-165.612000108.4R136 F145 E150R136-N143 PolarHBondContact NH2-OD1 2.9Å; N143-F145 PolarHBondContact OD1-N 3.42Å; N143-E150 PolarHBondContact ND2-OE2 3.46Å
144D93Very high93.4Very high123 Ų12399.9 Ų99.966%0.65849%0.487SS*.  trans-99.8-1.6177.260.9-24.2000113.2K142K142-D144 PolarHBondContact O-N 3.17Å
145F92.1Very high93.3Very high87 Ų87102.7 Ų102.738%0.38250%0.497SS..  trans-71.3141.2169.8-65.5-64000111.4N143 E149 E150N143-F145 PolarHBondContact OD1-N 3.42Å; F145-E149 HydrophobicContact CB-CB 4.18Å; F145-E149 HydrophobicContact CD1-CB 3.81Å; F145-E149 HydrophobicContact CG-CB 4.4Å; F145-E150 HydrophobicContact CB-CB 4.28Å
146T94.3Very high93.2Very high74 Ų74106.2 Ų106.245%0.45451%0.513SS..  trans-69.1159.9158.861.10000110.6E148 E149 E150T146-E148 PolarHBondContact O-N 2.84Å; T146-E149 WeakPolarHBondContact CB-OE2 3.49Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.28Å; T146-E149 PolarHBondContact N-OE2 3.06Å; T146-E149 PolarHBondContact O-N 2.99Å; T146-E149 VanDerWaalsContact OG1-CD 3.27Å; T146-E149 VanDerWaalsContact OG1-CG 3.25Å; T146-E149 WeakPolarHBondContact OG1-CG 3.41Å; T146-E149 PolarHBondContact OG1-N 3.21Å; T146-E149 PolarHBondContact OG1-OE2 3.44Å; T146-E150 PolarHBondContact O-N 3.36Å
147E93.3Very high93Very high179 Ų179107.7 Ų107.784%0.83652%0.524SS*.Hα-helixtrans-57.3-34176.1-65.1-177.9175.900112.2A151E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.28Å; E147-A151 PolarHBondContact O-N 2.83Å
148E95.6Very high92.7Very high167 Ų167103.6 Ų103.678%0.7851%0.508SS*.Hα-helixtrans-68.7-44.9177.3-65.1-176.2172.500112.1T146 A151 Q152T146-E148 PolarHBondContact O-N 2.84Å; E148-A151 PolarHBondContact O-N 2.81Å; E148-Q152 WeakPolarHBondContact O-CB 3.41Å; E148-Q152 PolarHBondContact O-N 3.25Å
149E95.3Very high92.6Very high87 Ų87108.9 Ų108.941%0.40752%0.524SS..Hα-helixtrans-65.8-41.4176.7-71.5163.8139.900111.5F145 T146 A151 Q152 V153F145-E149 HydrophobicContact CB-CB 4.18Å; F145-E149 HydrophobicContact CD1-CB 3.81Å; F145-E149 HydrophobicContact CG-CB 4.4Å; T146-E149 WeakPolarHBondContact CB-OE2 3.49Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.28Å; T146-E149 PolarHBondContact N-OE2 3.06Å; T146-E149 PolarHBondContact O-N 2.99Å; T146-E149 VanDerWaalsContact OG1-CD 3.27Å; T146-E149 VanDerWaalsContact OG1-CG 3.25Å; T146-E149 WeakPolarHBondContact OG1-CG 3.41Å; T146-E149 PolarHBondContact OG1-N 3.21Å; T146-E149 PolarHBondContact OG1-OE2 3.44Å; E149-A151 PolarHBondContact O-N 3.03Å; E149-Q152 PolarHBondContact O-N 2.92Å; E149-V153 WeakPolarHBondContact O-CG2 3.43Å; E149-V153 PolarHBondContact O-N 3.49Å
150E92Very high92Very high70 Ų70110.3 Ų110.333%0.32754%0.538SS..Hα-helixtrans-62.3-44.4176.4-171.2179141.700111.2N143 F145 T146 Q152 V153 R154N143-E150 PolarHBondContact ND2-OE2 3.46Å; F145-E150 HydrophobicContact CB-CB 4.28Å; T146-E150 PolarHBondContact O-N 3.36Å; E150-Q152 VanDerWaalsContact C-N 3.32Å; E150-Q152 PolarHBondContact O-N 3.48Å; E150-V153 PolarHBondContact O-N 2.7Å; E150-R154 WeakPolarHBondContact O-CB 3.29Å; E150-R154 PolarHBondContact O-N 2.98Å
151A92.5Very high91.3Very high62 Ų62109.5 Ų109.551%0.51253%0.529SS..Hα-helixtrans-62.7-38.1175.800000112.2E147 E148 E149 K155E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.28Å; E147-A151 PolarHBondContact O-N 2.83Å; E148-A151 PolarHBondContact O-N 2.81Å; E149-A151 PolarHBondContact O-N 3.03Å; A151-K155 WeakPolarHBondContact O-CB 3.44Å; A151-K155 PolarHBondContact O-N 2.87Å
152Q94.3Very high90.4Very high114 Ų114112.7 Ų112.753%0.53354%0.542SS..Hα-helixtrans-65.6-50.2175.5-178.4174.6-1200111.6E148 E149 E150 R154 K155 E156E148-Q152 WeakPolarHBondContact O-CB 3.41Å; E148-Q152 PolarHBondContact O-N 3.25Å; E149-Q152 PolarHBondContact O-N 2.92Å; E150-Q152 VanDerWaalsContact C-N 3.32Å; E150-Q152 PolarHBondContact O-N 3.48Å; Q152-R154 VanDerWaalsContact C-N 3.29Å; Q152-R154 PolarHBondContact O-N 3.19Å; Q152-K155 WeakPolarHBondContact O-CB 3.38Å; Q152-K155 PolarHBondContact O-N 3.21Å; Q152-K155 VanDerWaalsContact O-N 3.11Å; Q152-E156 HydrophobicContact CG-CG 4.47Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.49Å; Q152-E156 PolarHBondContact NE2-OE1 3.09Å; Q152-E156 WeakPolarHBondContact O-CG 3.24Å; Q152-E156 PolarHBondContact O-N 3.42Å
153V92.4Very high88.7Confident59 Ų59115.6 Ų115.636%0.35856%0.555SS.*Hα-helixtrans-59.5-41.5178.5171.50000110.9E149 E150 E156 N157E149-V153 WeakPolarHBondContact O-CG2 3.43Å; E149-V153 PolarHBondContact O-N 3.49Å; E150-V153 PolarHBondContact O-N 2.7Å; V153-E156 PolarHBondContact O-N 2.84Å; V153-N157 WeakPolarHBondContact O-CB 3.41Å; V153-N157 PolarHBondContact O-N 2.89Å; V153-N157 PolarHBondContact O-ND2 3.22Å
154R89.7Confident88.6Confident160 Ų160118.1 Ų118.160%0.60457%0.565SS**Hα-helixtrans-64.1-40.8176.1-178172.8157.3113.45.1111.8E150 Q152 N157 Q158E150-R154 WeakPolarHBondContact O-CB 3.29Å; E150-R154 PolarHBondContact O-N 2.98Å; Q152-R154 VanDerWaalsContact C-N 3.29Å; Q152-R154 PolarHBondContact O-N 3.19Å; R154-N157 PolarHBondContact O-N 2.67Å; R154-Q158 VanDerWaalsContact O-CG 3.25Å; R154-Q158 WeakPolarHBondContact O-CG 3.45Å; R154-Q158 PolarHBondContact O-N 2.95Å
155K92.6Very high88.3Confident154 Ų154117.8 Ų117.867%0.6756%0.56SS**Hα-helixtrans-64.5-41.8175.6-174.2-178.9177.4-175.20112A151 Q152 N157A151-K155 WeakPolarHBondContact O-CB 3.44Å; A151-K155 PolarHBondContact O-N 2.87Å; Q152-K155 WeakPolarHBondContact O-CB 3.38Å; Q152-K155 PolarHBondContact O-N 3.21Å; Q152-K155 VanDerWaalsContact O-N 3.11Å; K155-N157 VanDerWaalsContact C-N 3.32Å; K155-N157 PolarHBondContact O-N 3.1Å
156E93.6Very high88.1Confident115 Ų115119.6 Ų119.654%0.53757%0.57SS.*Hα-helixtrans-68.3-30.3179.4-72.8175.4-172.700112.8Q152 V153 W159Q152-E156 HydrophobicContact CG-CG 4.47Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.49Å; Q152-E156 PolarHBondContact NE2-OE1 3.09Å; Q152-E156 WeakPolarHBondContact O-CG 3.24Å; Q152-E156 PolarHBondContact O-N 3.42Å; V153-E156 PolarHBondContact O-N 2.84Å; E156-W159 VanDerWaalsContact O-CD1 3.25Å
157N90.1Very high87.8Confident73 Ų73122.2 Ų122.239%0.3958%0.577SS.*THydrogen-bonded Turntrans-102.714.4-177.4-66.8-75.9000114.4V153 R154 K155 W159 C160V153-N157 WeakPolarHBondContact O-CB 3.41Å; V153-N157 PolarHBondContact O-N 2.89Å; V153-N157 PolarHBondContact O-ND2 3.22Å; R154-N157 PolarHBondContact O-N 2.67Å; K155-N157 VanDerWaalsContact C-N 3.32Å; K155-N157 PolarHBondContact O-N 3.1Å; N157-W159 PolarHBondContact O-N 3.24Å; N157-W159 VanDerWaalsContact O-N 3.15Å; N157-C160 WeakPolarHBondContact O-CB 2.92Å; N157-C160 PolarHBondContact O-N 2.96Å
158Q88.2Confident87.4Confident98 Ų98118.7 Ų118.746%0.45856%0.561SS.*G310 helixtrans-55.6-32.6177.7-74.4-176.6-19.700112.9R154 C160 E161 E162R154-Q158 VanDerWaalsContact O-CG 3.25Å; R154-Q158 WeakPolarHBondContact O-CG 3.45Å; R154-Q158 PolarHBondContact O-N 2.95Å; Q158-C160 PolarHBondContact O-N 2.82Å; Q158-C160 VanDerWaalsContact O-N 3.08Å; Q158-E161 PolarHBondContact O-N 3.15Å; Q158-E162 PolarHBondContact O-N 2.82Å
159W88.6Confident86.9Confident148 Ų148115.5 Ų115.556%0.56155%0.546SS*.G310 helixtrans-59.7-20.3178.367.9-91.4000113.9E156 N157E156-W159 VanDerWaalsContact O-CD1 3.25Å; N157-W159 PolarHBondContact O-N 3.24Å; N157-W159 VanDerWaalsContact O-N 3.15Å
160C82.3Confident86.3Confident68 Ų68117.5 Ų117.546%0.45956%0.556SS.*G310 helixtrans-73.6-26.9173.7-69.20000112.7N157 Q158N157-C160 WeakPolarHBondContact O-CB 2.92Å; N157-C160 PolarHBondContact O-N 2.96Å; Q158-C160 PolarHBondContact O-N 2.82Å; Q158-C160 VanDerWaalsContact O-N 3.08Å
161E77.4Confident85.8Confident133 Ų133121.2 Ų121.262%0.62157%0.573SS**THydrogen-bonded Turntrans-88.4-14.8179-60.3-175.6168.600112.7Q158 K163Q158-E161 PolarHBondContact O-N 3.15Å; E161-K163 PolarHBondContact O-N 2.67Å
162E76.8Confident85.3Confident160 Ų160126.1 Ų126.175%0.74858%0.579SS**  trans-80.34.3-178.4-67.8-179.6171.300114.2Q158Q158-E162 PolarHBondContact O-N 2.82Å
163K57.1Low84.4Confident231 Ų231127.2 Ų127.2100%1.00458%0.583SS**  trans-99.70178.5-72.2-171177.5-179.40112.5E161E161-K163 PolarHBondContact O-N 2.67Å

Retrieved 163 of 163 residues in 115.3 ms (Link to these results)

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