G4VSZ6_SCHMA Loading...

Protein AAR2 homolog

AlphaFold DB , UniProt , Accession G4VSZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 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
1M66.7Low90.2Very high113 Ų11354.4 Ų54.456%0.55726%0.26SS*.  01480-132.2177.7-17700109.1Q5 F69 F98M1-Q5 HydrophobicContact CE-CG 3.8Å; M1-Q5 HydrophobicContact SD-CG 4.3Å; M1-F69 HydrophobicContact CE-CE1 3.63Å; M1-F69 HydrophobicContact CE-CZ 3.56Å; M1-F69 HydrophobicContact SD-CE1 3.77Å; M1-F69 HydrophobicContact SD-CE2 3.93Å; M1-F69 HydrophobicContact SD-CZ 3.28Å; M1-F69 WeakPolarHBondContact SD-CZ 3.31Å; M1-F98 HydrophobicContact CE-CD1 3.65Å; M1-F98 HydrophobicContact CE-CD2 3.51Å; M1-F98 HydrophobicContact CE-CE1 3.45Å; M1-F98 VanDerWaalsContact CE-CE1 3.45Å; M1-F98 HydrophobicContact CE-CE2 3.33Å; M1-F98 HydrophobicContact CE-CG 3.67Å; M1-F98 HydrophobicContact CE-CZ 3.29Å
2K75.9Confident90.4Very high186 Ų18653.5 Ų53.581%0.80926%0.262SS*.  trans-107.9-13.5-178.4-71.7-172.9179-178.90114.7
3H85.3Confident90.5Very high94 Ų9457.7 Ų57.744%0.43528%0.281SS..SBendtrans-133.3162.5-175.3-45.2122000111.7Q5 D35H3-Q5 PolarHBondContact O-NE2 3.37Å; H3-D35 HydrophobicContact CB-CB 4.21Å; H3-D35 IonicContact CE1-OD1 2.72Å; H3-D35 IonicContact CG-OD1 3.56Å; H3-D35 IonicContact ND1-OD1 3.06Å; H3-D35 PolarHBondContact ND1-OD1 2.75Å
4C95.1Very high90.5Very high1 Ų158.4 Ų58.41%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-91.1148.3-179.1-53.30000111.5D35 I36 L38 F64 G68C4-D35 PolarHBondContact O-N 3.38Å; C4-I36 HydrophobicContact CB-CB 4.11Å; C4-I36 VanDerWaalsContact CB-O 3.23Å; C4-I36 WeakPolarHBondContact CB-O 3.33Å; C4-I36 PolarHBondContact N-O 2.74Å; C4-I36 PolarHBondContact O-N 3.45Å; C4-L38 WeakPolarHBondContact SG-CD2 3.38Å; C4-F64 HydrophobicContact CB-CB 4.07Å; C4-F64 HydrophobicContact CB-CD1 3.44Å; C4-F64 VanDerWaalsContact CB-CD1 3.44Å; C4-F64 HydrophobicContact CB-CD2 3.99Å; C4-F64 HydrophobicContact CB-CE1 3.71Å; C4-F64 HydrophobicContact CB-CE2 4.24Å; C4-F64 HydrophobicContact CB-CG 3.58Å; C4-F64 HydrophobicContact CB-CZ 4.1Å; C4-F64 VanDerWaalsContact SG-CB 3.55Å; C4-G68 WeakPolarHBondContact CA-O 3.41Å
5Q95.8Very high90.7Very high2 Ų254.5 Ų54.51%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-133.2137.1-175.9-39.5-63.7-41.600109.2M1 H3 G68 F69 I70 F98M1-Q5 HydrophobicContact CE-CG 3.8Å; M1-Q5 HydrophobicContact SD-CG 4.3Å; H3-Q5 PolarHBondContact O-NE2 3.37Å; Q5-G68 PolarHBondContact N-O 3.41Å; Q5-F69 HydrophobicContact CB-CD1 3.74Å; Q5-F69 HydrophobicContact CB-CE1 4.13Å; Q5-F69 HydrophobicContact CG-CD1 3.91Å; Q5-F69 HydrophobicContact CG-CE1 3.81Å; Q5-F69 WeakPolarHBondContact O-CA 3.31Å; Q5-I70 PolarHBondContact O-N 3.13Å; Q5-F98 HydrophobicContact CG-CE2 3.99Å; Q5-F98 HydrophobicContact CG-CZ 4.13Å
6L96.9Very high90.8Very high0 Ų052.8 Ų52.80%026%0.259CS..EExtended strand (participates in β ladder)trans-106.9115.4168.9177.466.6000107.7L8 G32 I33 I36 V43 F60 I70L6-L8 HydrophobicContact CD1-CD2 3.95Å; L6-L8 HydrophobicContact CD2-CD1 4.23Å; L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 HydrophobicContact CD2-CG 4.33Å; L6-L8 HydrophobicContact CG-CD2 3.91Å; L6-L8 HydrophobicContact CG-CG 4.07Å; L6-G32 CarbonylContact O-C 3.52Å; L6-G32 WeakPolarHBondContact O-CA 3.42Å; L6-I33 PolarHBondContact N-O 3.36Å; L6-I33 PolarHBondContact O-N 3.09Å; L6-I36 HydrophobicContact CB-CD1 3.6Å; L6-V43 HydrophobicContact CD2-CG1 4.1Å; L6-V43 HydrophobicContact CD2-CG2 3.77Å; L6-F60 HydrophobicContact CD1-CE2 4.49Å; L6-F60 HydrophobicContact CD1-CZ 4.4Å; L6-F60 HydrophobicContact CD2-CZ 4.46Å; L6-I70 WeakPolarHBondContact CA-O 3.38Å; L6-I70 HydrophobicContact CD1-CB 3.97Å; L6-I70 HydrophobicContact CD1-CG2 3.72Å
7I96.2Very high91.1Very high2 Ų249.8 Ų49.81%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-105124.9177.4-57.5174.6000108.4K31 F69 I70 V71 K72 I94 I101I7-K31 CarbonylContact C-O 3.51Å; I7-K31 WeakPolarHBondContact CA-O 3.47Å; I7-F69 HydrophobicContact CD1-CD1 3.74Å; I7-F69 HydrophobicContact CD1-CE1 4.3Å; I7-F69 HydrophobicContact CG1-CD1 4.45Å; I7-I70 PolarHBondContact N-O 2.93Å; I7-V71 HydrophobicContact CB-CG1 4.28Å; I7-V71 HydrophobicContact CB-CG2 4.09Å; I7-V71 HydrophobicContact CD1-CG2 4.28Å; I7-V71 HydrophobicContact CG2-CG1 4.34Å; I7-V71 WeakPolarHBondContact O-CA 3.4Å; I7-K72 PolarHBondContact O-N 3.01Å; I7-I94 HydrophobicContact CD1-CD1 4.36Å; I7-I94 HydrophobicContact CD1-CG2 3.8Å; I7-I101 HydrophobicContact CD1-CG2 4.4Å
8L96.9Very high91.3Very high1 Ų147 Ų471%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-119.6113.4-178.6-57.1178.7000109L6 V11 L17 F30 K31 K72 F81L6-L8 HydrophobicContact CD1-CD2 3.95Å; L6-L8 HydrophobicContact CD2-CD1 4.23Å; L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 HydrophobicContact CD2-CG 4.33Å; L6-L8 HydrophobicContact CG-CD2 3.91Å; L6-L8 HydrophobicContact CG-CG 4.07Å; L8-V11 HydrophobicContact CB-CG2 3.45Å; L8-V11 VanDerWaalsContact CB-CG2 3.45Å; L8-V11 HydrophobicContact CD1-CG2 4.47Å; L8-L17 HydrophobicContact CD1-CD1 3.89Å; L8-L17 HydrophobicContact CD1-CD2 3.62Å; L8-L17 HydrophobicContact CD1-CG 4.43Å; L8-F30 HydrophobicContact CD1-CE1 4.18Å; L8-K31 PolarHBondContact N-O 3.48Å; L8-K31 CarbonylContact O-C 3.52Å; L8-K31 WeakPolarHBondContact O-CA 3.37Å; L8-K72 WeakPolarHBondContact CA-O 3.5Å; L8-K72 HydrophobicContact CD2-CB 3.85Å; L8-K72 HydrophobicContact CD2-CD 4.44Å; L8-F81 HydrophobicContact CB-CE1 3.97Å; L8-F81 HydrophobicContact CB-CZ 4.25Å; L8-F81 HydrophobicContact CD1-CE1 4.48Å; L8-F81 HydrophobicContact CD1-CZ 4.02Å; L8-F81 HydrophobicContact CD2-CD1 4.22Å; L8-F81 HydrophobicContact CD2-CE1 3.92Å; L8-F81 HydrophobicContact CD2-CZ 4.14Å; L8-F81 HydrophobicContact CG-CE1 4.34Å; L8-F81 HydrophobicContact CG-CZ 4.36Å
9H94.7Very high91.6Very high68 Ų6844.5 Ų44.532%0.31522%0.218SC..EExtended strand (participates in β ladder)trans-90.5144.6177.7-67.7-47.4000111.8V11 K72 K73 W74H9-V11 PolarHBondContact O-N 3.23Å; H9-K72 PolarHBondContact N-O 3.3Å; H9-K73 HydrophobicContact CB-CB 4.04Å; H9-K73 HydrophobicContact CB-CG 4.18Å; H9-W74 WeakPolarHBondContact O-CB 3.45Å; H9-W74 PolarHBondContact O-N 2.88Å
10D94.2Very high91.8Very high110 Ų11042.4 Ų42.459%0.58821%0.208SC*.SBendtrans58.127.3171.5-53.8-34.6000114.7P12 K73 W74D10-P12 WeakPolarHBondContact O-CD 3.24Å; D10-K73 WeakPolarHBondContact OD2-CE 3.34Å; D10-K73 IonicContact OD2-NZ 3.14Å; D10-W74 HydrophobicContact CB-CB 4.35Å; D10-W74 VanDerWaalsContact O-CB 3.28Å; D10-W74 WeakPolarHBondContact O-CB 3.33Å
11V94.1Very high91.8Very high21 Ų2142.1 Ų42.113%0.12721%0.207CC..PPolyproline II helixtrans-61.9125.6176.5-1660000109.5L8 H9 T15 V26 F30 F81L8-V11 HydrophobicContact CB-CG2 3.45Å; L8-V11 VanDerWaalsContact CB-CG2 3.45Å; L8-V11 HydrophobicContact CD1-CG2 4.47Å; H9-V11 PolarHBondContact O-N 3.23Å; V11-T15 HydrophobicContact CG1-CG2 4.12Å; V11-V26 HydrophobicContact CB-CG1 4.17Å; V11-V26 HydrophobicContact CG1-CB 4.35Å; V11-V26 HydrophobicContact CG1-CG1 3.87Å; V11-V26 HydrophobicContact CG1-CG2 4.15Å; V11-F30 HydrophobicContact CG2-CD1 4.5Å; V11-F81 HydrophobicContact CG1-CZ 4.26Å; V11-F81 HydrophobicContact CG2-CE1 3.9Å; V11-F81 HydrophobicContact CG2-CZ 3.84Å
12P92.5Very high93Very high44 Ų4440 Ų4029%0.28620%0.195SC..PPolyproline II helixtrans-59.7145.7176-22.833000112D10 T15 W74D10-P12 WeakPolarHBondContact O-CD 3.24Å; P12-T15 WeakPolarHBondContact O-CB 3.38Å; P12-T15 PolarHBondContact O-N 3.13Å; P12-T15 PolarHBondContact O-OG1 3.13Å; P12-W74 HydrophobicContact CG-CD2 4.15Å; P12-W74 HydrophobicContact CG-CG 4.2Å; P12-W74 HydrophobicContact CG-CZ2 4.16Å
13E92.2Very high93.8Very high108 Ų10834 Ų3451%0.50517%0.169SC..THydrogen-bonded Turntrans-65.8145.1173.5-173.5164.8-15400110.2T15 K28E13-T15 PolarHBondContact O-N 2.92Å; E13-K28 PolarHBondContact OE1-N 3.08Å
14N91.1Very high94.1Very high68 Ų6833.2 Ų33.236%0.36416%0.162SC..THydrogen-bonded Turntrans71-7.5-173.7-54.7-58.5000116.6E16 V26 V48N14-E16 PolarHBondContact O-N 2.64Å; N14-V26 PolarHBondContact N-O 2.75Å; N14-V48 HydrophobicContact CB-CB 4.37Å; N14-V48 HydrophobicContact CB-CG1 4.15Å; N14-V48 VanDerWaalsContact O-CG2 3.26Å; N14-V48 WeakPolarHBondContact O-CG2 3.45Å
15T92.8Very high93.9Very high0 Ų039.1 Ų39.10%019%0.188CC..  trans-46.7127.5171.2-700000109.7V11 P12 E13 L17 V26V11-T15 HydrophobicContact CG1-CG2 4.12Å; P12-T15 WeakPolarHBondContact O-CB 3.38Å; P12-T15 PolarHBondContact O-N 3.13Å; P12-T15 PolarHBondContact O-OG1 3.13Å; E13-T15 PolarHBondContact O-N 2.92Å; T15-L17 PolarHBondContact O-N 3.06Å; T15-V26 WeakPolarHBondContact O-CB 3.47Å; T15-V26 VanDerWaalsContact O-CG2 3.28Å; T15-V26 WeakPolarHBondContact O-CG2 3.38Å; T15-V26 PolarHBondContact O-N 2.96Å
16E93.2Very high93.7Very high27 Ų2739.3 Ų39.313%0.12619%0.189CC..EExtended strand (participates in β ladder)trans-75.5123.5169.7-70.1179.6-170.400107.3N14 W24 K25 Y45 S46 S54 R57N14-E16 PolarHBondContact O-N 2.64Å; E16-W24 WeakPolarHBondContact CA-O 3.41Å; E16-K25 HydrophobicContact CG-CG 4.22Å; E16-Y45 CarbonylContact O-C 3.51Å; E16-Y45 WeakPolarHBondContact O-CA 3.33Å; E16-Y45 WeakPolarHBondContact O-CB 3.5Å; E16-S46 PolarHBondContact N-O 3.48Å; E16-S46 VanDerWaalsContact N-O 3.11Å; E16-S46 PolarHBondContact O-N 2.93Å; E16-S54 PolarHBondContact OE1-OG 3.19Å; E16-R57 IonicContact OE2-NH2 3.86Å; E16-R57 PolarHBondContact OE2-NH2 2.86Å
17L94.5Very high93.5Very high1 Ų141.1 Ų41.11%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-132.3131.3178.9-179.683.4000108.3L8 T15 F23 W24 V26 F30 I33 V43 Y44 Y45L8-L17 HydrophobicContact CD1-CD1 3.89Å; L8-L17 HydrophobicContact CD1-CD2 3.62Å; L8-L17 HydrophobicContact CD1-CG 4.43Å; T15-L17 PolarHBondContact O-N 3.06Å; L17-F23 CarbonylContact O-C 3.57Å; L17-F23 WeakPolarHBondContact O-CA 3.38Å; L17-F23 WeakPolarHBondContact O-CB 3.45Å; L17-W24 PolarHBondContact N-O 3.12Å; L17-W24 PolarHBondContact O-N 3.36Å; L17-V26 HydrophobicContact CB-CG2 3.7Å; L17-V26 HydrophobicContact CD2-CG2 4.26Å; L17-F30 HydrophobicContact CD2-CE1 3.42Å; L17-F30 VanDerWaalsContact CD2-CE1 3.42Å; L17-F30 HydrophobicContact CD2-CE2 4.49Å; L17-F30 HydrophobicContact CD2-CZ 3.32Å; L17-I33 HydrophobicContact CD2-CD1 4.5Å; L17-V43 HydrophobicContact CD1-CG1 4.03Å; L17-Y44 CarbonylContact C-O 3.57Å; L17-Y44 WeakPolarHBondContact CA-O 3.49Å; L17-Y45 HydrophobicContact CD1-CD1 4.3Å
18G94.9Very high93.3Very high0 Ų048.6 Ų48.60%024%0.24CC..EExtended strand (participates in β ladder)trans-129.2156.3172.600000113.6K22 F23 V43 Y44G18-K22 CarbonylContact C-O 3.43Å; G18-K22 WeakPolarHBondContact CA-O 3.44Å; G18-F23 VanDerWaalsContact CA-CB 3.47Å; G18-V43 WeakPolarHBondContact O-CA 3.21Å; G18-Y44 PolarHBondContact N-O 3.49Å; G18-Y44 PolarHBondContact O-N 3.04Å
19I96.7Very high93.1Very high0 Ų055.2 Ų55.20%027%0.27CS..EExtended strand (participates in β ladder)trans-130.3130.1166.7-168.9168.3000108.2L21 K22 W24 I33 I36 H41 F42 V43 Y108I19-L21 PolarHBondContact O-N 3.47Å; I19-K22 PolarHBondContact N-O 3.05Å; I19-K22 PolarHBondContact O-N 2.92Å; I19-K22 VanDerWaalsContact O-N 3.13Å; I19-K22 VanDerWaalsContact O-O 3.12Å; I19-W24 HydrophobicContact CG2-CH2 3.72Å; I19-W24 HydrophobicContact CG2-CZ3 3.95Å; I19-I33 HydrophobicContact CB-CD1 3.83Å; I19-I33 HydrophobicContact CD1-CD1 4.35Å; I19-I33 HydrophobicContact CG2-CD1 3.56Å; I19-I36 HydrophobicContact CD1-CD1 3.81Å; I19-I36 HydrophobicContact CD1-CG1 4.24Å; I19-I36 HydrophobicContact CD1-CG2 4.25Å; I19-H41 HydrophobicContact CD1-CB 4.1Å; I19-H41 HydrophobicContact CG1-CB 4.19Å; I19-F42 CarbonylContact C-O 3.48Å; I19-F42 VanDerWaalsContact CA-O 3.25Å; I19-F42 WeakPolarHBondContact CA-O 3.34Å; I19-V43 HydrophobicContact CD1-CG2 4.19Å; I19-V43 HydrophobicContact CG1-CG2 4.13Å; I19-Y108 HydrophobicContact CD1-CD2 4.14Å; I19-Y108 HydrophobicContact CD1-CE2 4.18Å; I19-Y108 HydrophobicContact CG1-CE2 4.31Å; I19-Y108 HydrophobicContact CG2-CD2 4.09Å; I19-Y108 HydrophobicContact CG2-CE2 4.21Å
20D96Very high93.1Very high2 Ų254.1 Ų54.11%0.01127%0.265CS..THydrogen-bonded Turntrans51.6-108.4-178.1-54.2-21.9000112H41 F42 Y44 Y108 W116 L258D20-H41 WeakPolarHBondContact OD1-CA 3.34Å; D20-H41 WeakPolarHBondContact OD1-CB 3.47Å; D20-H41 IonicContact OD1-CG 2.8Å; D20-H41 IonicContact OD1-ND1 3.29Å; D20-H41 PolarHBondContact OD1-ND1 3.24Å; D20-H41 IonicContact OD2-CE1 3.38Å; D20-H41 IonicContact OD2-CG 2.82Å; D20-H41 IonicContact OD2-ND1 3.58Å; D20-H41 PolarHBondContact OD2-ND1 3.02Å; D20-F42 PolarHBondContact N-O 3.27Å; D20-F42 PolarHBondContact OD1-N 2.86Å; D20-Y44 WeakPolarHBondContact O-CE1 3.21Å; D20-Y44 PolarHBondContact O-OH 3.24Å; D20-Y108 WeakPolarHBondContact OD2-CE2 3.43Å; D20-Y108 VanDerWaalsContact OD2-CZ 3.29Å; D20-Y108 PolarHBondContact OD2-OH 2.99Å; D20-W116 HydrophobicContact CB-CB 4.25Å; D20-W116 HydrophobicContact CB-CD2 3.6Å; D20-W116 HydrophobicContact CB-CE3 3.56Å; D20-W116 HydrophobicContact CB-CG 3.9Å; D20-W116 HydrophobicContact CB-CZ3 4.15Å; D20-W116 VanDerWaalsContact OD1-CE2 3.31Å; D20-W116 WeakPolarHBondContact OD1-CZ2 3.49Å; D20-L258 WeakPolarHBondContact O-CD1 3.49Å; D20-L258 WeakPolarHBondContact O-CD2 3.43Å
21L92.6Very high93.2Very high36 Ų3653.2 Ų53.219%0.18826%0.256CS..THydrogen-bonded Turntrans-103.712.3-173.8-58.2178.6000113.6I19 L112 D115 L119 L257 L258I19-L21 PolarHBondContact O-N 3.47Å; L21-L112 HydrophobicContact CB-CB 4.36Å; L21-L112 HydrophobicContact CB-CD1 3.95Å; L21-D115 HydrophobicContact CD1-CB 3.66Å; L21-L119 HydrophobicContact CD1-CD1 4.12Å; L21-L119 HydrophobicContact CD2-CD1 3.94Å; L21-L257 HydrophobicContact CD2-CD2 4.17Å; L21-L258 HydrophobicContact CD2-CD2 4.45Å
22K91.9Very high93.3Very high70 Ų7052.2 Ų52.230%0.30425%0.25SC..EExtended strand (participates in β ladder)trans-136.9139.9-179.2-156.9168.9-172.8173.90111.6G18 I19 W24 P109 E111 L112G18-K22 CarbonylContact C-O 3.43Å; G18-K22 WeakPolarHBondContact CA-O 3.44Å; I19-K22 PolarHBondContact N-O 3.05Å; I19-K22 PolarHBondContact O-N 2.92Å; I19-K22 VanDerWaalsContact O-N 3.13Å; I19-K22 VanDerWaalsContact O-O 3.12Å; K22-W24 HydrophobicContact CB-CH2 4.31Å; K22-W24 HydrophobicContact CB-CZ2 4Å; K22-W24 HydrophobicContact CD-CZ2 3.67Å; K22-W24 HydrophobicContact CG-CZ2 3.78Å; K22-P109 HydrophobicContact CB-CB 4.24Å; K22-P109 HydrophobicContact CB-CG 3.83Å; K22-P109 HydrophobicContact CD-CB 3.51Å; K22-P109 HydrophobicContact CD-CG 3.98Å; K22-E111 IonicContact NZ-OE1 2.75Å; K22-E111 PolarHBondContact NZ-OE1 3.11Å; K22-L112 HydrophobicContact CB-CD1 3.97Å; K22-L112 HydrophobicContact CD-CD1 4.32Å; K22-L112 HydrophobicContact CG-CD1 4.45Å
23F92Very high93.5Very high59 Ų5950.2 Ų50.226%0.25924%0.236SC..EExtended strand (participates in β ladder)trans-136.2161.9173.477.3-82.1000111.6L17 G18 Y44 S311L17-F23 CarbonylContact O-C 3.57Å; L17-F23 WeakPolarHBondContact O-CA 3.38Å; L17-F23 WeakPolarHBondContact O-CB 3.45Å; G18-F23 VanDerWaalsContact CA-CB 3.47Å; F23-Y44 HydrophobicContact CB-CE2 3.88Å; F23-S311 VanDerWaalsContact CZ-CB 3.47Å
24W90.7Very high93.7Very high78 Ų7847 Ų4730%0.29522%0.221SC..EExtended strand (participates in β ladder)trans-144.9161.8-175.6-46.2-88.2000110E16 L17 I19 K22 I33E16-W24 WeakPolarHBondContact CA-O 3.41Å; L17-W24 PolarHBondContact N-O 3.12Å; L17-W24 PolarHBondContact O-N 3.36Å; I19-W24 HydrophobicContact CG2-CH2 3.72Å; I19-W24 HydrophobicContact CG2-CZ3 3.95Å; K22-W24 HydrophobicContact CB-CH2 4.31Å; K22-W24 HydrophobicContact CB-CZ2 4Å; K22-W24 HydrophobicContact CD-CZ2 3.67Å; K22-W24 HydrophobicContact CG-CZ2 3.78Å; W24-I33 HydrophobicContact CH2-CD1 4.17Å; W24-I33 HydrophobicContact CZ3-CD1 3.71Å
25K92.1Very high93.9Very high125 Ų12546.2 Ų46.254%0.54322%0.216SC..EExtended strand (participates in β ladder)trans-86.5127.5161.2-69.8-172.5176.9-171.50109.2E16E16-K25 HydrophobicContact CG-CG 4.22Å
26V92.1Very high94.1Very high6 Ų646.3 Ų46.34%0.03622%0.217CC..PPolyproline II helixtrans-71.9128-177.2170.60000110.3V11 N14 T15 L17 F30V11-V26 HydrophobicContact CB-CG1 4.17Å; V11-V26 HydrophobicContact CG1-CB 4.35Å; V11-V26 HydrophobicContact CG1-CG1 3.87Å; V11-V26 HydrophobicContact CG1-CG2 4.15Å; N14-V26 PolarHBondContact N-O 2.75Å; T15-V26 WeakPolarHBondContact O-CB 3.47Å; T15-V26 VanDerWaalsContact O-CG2 3.28Å; T15-V26 WeakPolarHBondContact O-CG2 3.38Å; T15-V26 PolarHBondContact O-N 2.96Å; L17-V26 HydrophobicContact CB-CG2 3.7Å; L17-V26 HydrophobicContact CD2-CG2 4.26Å; V26-F30 HydrophobicContact CB-CD1 4.3Å; V26-F30 HydrophobicContact CG1-CB 3.66Å; V26-F30 HydrophobicContact CG1-CD1 3.51Å; V26-F30 HydrophobicContact CG1-CE1 4.41Å; V26-F30 HydrophobicContact CG1-CG 3.81Å; V26-F30 HydrophobicContact CG2-CD1 3.86Å; V26-F30 HydrophobicContact CG2-CE1 4Å; V26-F30 HydrophobicContact CG2-CG 4.38Å
27G92.1Very high94.3Very high37 Ų3746.5 Ų46.538%0.38122%0.22SC..PPolyproline II helixtrans-91.7163.5173.100000112.5H29 F30G27-H29 PolarHBondContact O-N 2.65Å; G27-F30 VanDerWaalsContact O-CB 3.26Å; G27-F30 WeakPolarHBondContact O-CB 3.28Å; G27-F30 PolarHBondContact O-N 3.37Å
28K91.5Very high94.3Very high159 Ų15951.1 Ų51.169%0.69125%0.245SC*.THydrogen-bonded Turntrans-45.6-32.9-178.3-174.4175.7-179177.90117.2E13E13-K28 PolarHBondContact OE1-N 3.08Å
29H93.1Very high94.4Very high141 Ų14152.4 Ų52.465%0.65326%0.258SS*.THydrogen-bonded Turntrans-1020.8-175-64.1-60.5000114.3G27 C104G27-H29 PolarHBondContact O-N 2.65Å; H29-C104 WeakPolarHBondContact O-CB 3.45Å; H29-C104 PolarHBondContact O-SG 3.28Å; H29-C104 VanDerWaalsContact O-SG 3.37Å
30F95.1Very high94.4Very high44 Ų4453.3 Ų53.319%0.19326%0.263CS..  trans-67.3137.5-179.5176.6-94.5000111.1L8 V11 L17 V26 G27 G32 I33L8-F30 HydrophobicContact CD1-CE1 4.18Å; V11-F30 HydrophobicContact CG2-CD1 4.5Å; L17-F30 HydrophobicContact CD2-CE1 3.42Å; L17-F30 VanDerWaalsContact CD2-CE1 3.42Å; L17-F30 HydrophobicContact CD2-CE2 4.49Å; L17-F30 HydrophobicContact CD2-CZ 3.32Å; V26-F30 HydrophobicContact CB-CD1 4.3Å; V26-F30 HydrophobicContact CG1-CB 3.66Å; V26-F30 HydrophobicContact CG1-CD1 3.51Å; V26-F30 HydrophobicContact CG1-CE1 4.41Å; V26-F30 HydrophobicContact CG1-CG 3.81Å; V26-F30 HydrophobicContact CG2-CD1 3.86Å; V26-F30 HydrophobicContact CG2-CE1 4Å; V26-F30 HydrophobicContact CG2-CG 4.38Å; G27-F30 VanDerWaalsContact O-CB 3.26Å; G27-F30 WeakPolarHBondContact O-CB 3.28Å; G27-F30 PolarHBondContact O-N 3.37Å; F30-G32 VanDerWaalsContact CE1-N 3.34Å; F30-G32 WeakPolarHBondContact CE2-O 3.34Å; F30-G32 VanDerWaalsContact CZ-CA 3.41Å; F30-G32 VanDerWaalsContact CZ-O 3.27Å; F30-G32 WeakPolarHBondContact CZ-O 3.15Å; F30-I33 HydrophobicContact CE2-CG1 4.48Å; F30-I33 HydrophobicContact CZ-CG1 4.14Å
31K95.4Very high94.5Very high92 Ų9253.3 Ų53.340%0.426%0.263SS..  trans-132.812.7179.5-67.7-173.9-179.2177.90113.8I7 L8 C104 L105I7-K31 CarbonylContact C-O 3.51Å; I7-K31 WeakPolarHBondContact CA-O 3.47Å; L8-K31 PolarHBondContact N-O 3.48Å; L8-K31 CarbonylContact O-C 3.52Å; L8-K31 WeakPolarHBondContact O-CA 3.37Å; K31-C104 HydrophobicContact CB-CB 3.83Å; K31-C104 HydrophobicContact CD-CB 3.73Å; K31-C104 HydrophobicContact CG-CB 3.73Å; K31-C104 PolarHBondContact N-O 3.04Å; K31-L105 VanDerWaalsContact C-CD2 3.5Å; K31-L105 HydrophobicContact CB-CD2 4.14Å; K31-L105 VanDerWaalsContact O-CD2 3.3Å; K31-L105 WeakPolarHBondContact O-CD2 3.44Å
32G96.7Very high94.7Very high0 Ų051.7 Ų51.70%025%0.254CS..EExtended strand (participates in β ladder)trans126.5-156.9179.600000114L6 F30 L105 G106L6-G32 CarbonylContact O-C 3.52Å; L6-G32 WeakPolarHBondContact O-CA 3.42Å; F30-G32 VanDerWaalsContact CE1-N 3.34Å; F30-G32 WeakPolarHBondContact CE2-O 3.34Å; F30-G32 VanDerWaalsContact CZ-CA 3.41Å; F30-G32 VanDerWaalsContact CZ-O 3.27Å; F30-G32 WeakPolarHBondContact CZ-O 3.15Å; G32-L105 CarbonylContact O-C 3.57Å; G32-L105 WeakPolarHBondContact O-CA 3.39Å; G32-G106 PolarHBondContact O-N 3.06Å
33I97.3Very high95Very high1 Ų148.3 Ų48.31%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-130.7136.1-167.4-54.4177.7000110.2L6 L17 I19 W24 F30 I36 G106L6-I33 PolarHBondContact N-O 3.36Å; L6-I33 PolarHBondContact O-N 3.09Å; L17-I33 HydrophobicContact CD2-CD1 4.5Å; I19-I33 HydrophobicContact CB-CD1 3.83Å; I19-I33 HydrophobicContact CD1-CD1 4.35Å; I19-I33 HydrophobicContact CG2-CD1 3.56Å; W24-I33 HydrophobicContact CH2-CD1 4.17Å; W24-I33 HydrophobicContact CZ3-CD1 3.71Å; F30-I33 HydrophobicContact CE2-CG1 4.48Å; F30-I33 HydrophobicContact CZ-CG1 4.14Å; I33-I36 HydrophobicContact CB-CD1 4.17Å; I33-I36 HydrophobicContact CB-CG1 4.47Å; I33-I36 HydrophobicContact CG2-CD1 4.15Å; I33-I36 HydrophobicContact CG2-CG1 3.93Å; I33-G106 CarbonylContact C-O 3.5Å; I33-G106 VanDerWaalsContact CA-O 3.26Å; I33-G106 WeakPolarHBondContact CA-O 3.5Å
34K95.8Very high95.2Very high41 Ų4145.9 Ų45.918%0.17823%0.229CC..EExtended strand (participates in β ladder)trans-113.2159.2-179.465.5175.2176.9-160.40114.7I36 S102 L105 G106 Y108K34-I36 VanDerWaalsContact C-N 3.29Å; K34-I36 PolarHBondContact O-N 3.39Å; K34-S102 WeakPolarHBondContact CD-OG 3.45Å; K34-S102 PolarHBondContact NZ-O 3.35Å; K34-S102 PolarHBondContact NZ-OG 3.18Å; K34-S102 VanDerWaalsContact NZ-OG 3.09Å; K34-L105 HydrophobicContact CB-CB 3.81Å; K34-L105 HydrophobicContact CB-CD1 3.92Å; K34-L105 HydrophobicContact CD-CB 4.14Å; K34-L105 HydrophobicContact CG-CB 3.97Å; K34-G106 WeakPolarHBondContact CG-O 3.4Å; K34-G106 PolarHBondContact N-O 3.29Å; K34-Y108 VanDerWaalsContact O-CB 3.3Å; K34-Y108 WeakPolarHBondContact O-CB 3.48Å; K34-Y108 PolarHBondContact O-N 2.79Å
35D95.6Very high95.5Very high51 Ų5142.3 Ų42.327%0.27322%0.215SC..EExtended strand (participates in β ladder)trans56.141.6179.2-53.9-48.9000113.4H3 C4 Q107H3-D35 HydrophobicContact CB-CB 4.21Å; H3-D35 IonicContact CE1-OD1 2.72Å; H3-D35 IonicContact CG-OD1 3.56Å; H3-D35 IonicContact ND1-OD1 3.06Å; H3-D35 PolarHBondContact ND1-OD1 2.75Å; C4-D35 PolarHBondContact O-N 3.38Å; D35-Q107 PolarHBondContact OD2-NE2 2.64Å
36I97.3Very high95.5Very high2 Ų236.5 Ų36.51%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-69.3132.3173.9-53.8171.5000107.7C4 L6 I19 I33 K34 H41 F64 Y108C4-I36 HydrophobicContact CB-CB 4.11Å; C4-I36 VanDerWaalsContact CB-O 3.23Å; C4-I36 WeakPolarHBondContact CB-O 3.33Å; C4-I36 PolarHBondContact N-O 2.74Å; C4-I36 PolarHBondContact O-N 3.45Å; L6-I36 HydrophobicContact CB-CD1 3.6Å; I19-I36 HydrophobicContact CD1-CD1 3.81Å; I19-I36 HydrophobicContact CD1-CG1 4.24Å; I19-I36 HydrophobicContact CD1-CG2 4.25Å; I33-I36 HydrophobicContact CB-CD1 4.17Å; I33-I36 HydrophobicContact CB-CG1 4.47Å; I33-I36 HydrophobicContact CG2-CD1 4.15Å; I33-I36 HydrophobicContact CG2-CG1 3.93Å; K34-I36 VanDerWaalsContact C-N 3.29Å; K34-I36 PolarHBondContact O-N 3.39Å; I36-H41 VanDerWaalsContact CG2-CD2 3.49Å; I36-H41 WeakPolarHBondContact CG2-CD2 3.45Å; I36-F64 HydrophobicContact CB-CE2 4.31Å; I36-F64 HydrophobicContact CD1-CE2 3.96Å; I36-F64 HydrophobicContact CD1-CZ 4.18Å; I36-F64 HydrophobicContact CG2-CD2 4.08Å; I36-F64 HydrophobicContact CG2-CE2 3.95Å; I36-Y108 HydrophobicContact CB-CD2 4.43Å; I36-Y108 HydrophobicContact CG1-CD2 4.14Å; I36-Y108 HydrophobicContact CG2-CD2 4.18Å; I36-Y108 HydrophobicContact CG2-CE2 4.39Å
37P96.2Very high95.4Very high31 Ų3136.8 Ų36.820%0.20119%0.193CC..PPolyproline II helixtrans-58.5167.5172.4-26.837.4000113.1H41 Y108 H113P37-H41 PolarHBondContact O-NE2 3.43Å; P37-H41 VanDerWaalsContact O-NE2 3.15Å; P37-Y108 HydrophobicContact CG-CD1 4.1Å; P37-Y108 HydrophobicContact CG-CE1 3.8Å; P37-H113 WeakPolarHBondContact CB-NE2 3.2Å; P37-H113 WeakPolarHBondContact CG-NE2 3.25Å
38L96Very high95.2Very high98 Ų9836.2 Ų36.251%0.51318%0.182SC..SBendtrans-75.3146.3170-67.8171.3000109.9C4 F64 Q66 P67C4-L38 WeakPolarHBondContact SG-CD2 3.38Å; L38-F64 HydrophobicContact CD2-CB 4.39Å; L38-F64 WeakPolarHBondContact CD2-O 3.48Å; L38-Q66 VanDerWaalsContact CD2-C 3.44Å; L38-P67 HydrophobicContact CD2-CG 4.39Å
39G95.4Very high94.8Very high27 Ų2732.4 Ų32.428%0.27817%0.169SC..EExtended strand (participates in β ladder)trans120.3-160.3178.500000113.2H41 F64G39-H41 PolarHBondContact O-CD2 3.28Å; G39-F64 PolarHBondContact N-O 3.26Å; G39-F64 PolarHBondContact O-N 3.3Å
40I97.7Very high94.2Very high20 Ų2031 Ų3110%0.10318%0.176CC..EExtended strand (participates in β ladder)trans-91.2132.3-176.4-68.9164.5000108.5F42 V61 N63 W116 I123 L128I40-F42 HydrophobicContact CG2-CD1 4.17Å; I40-F42 HydrophobicContact CG2-CE1 3.88Å; I40-V61 HydrophobicContact CG2-CG1 3.63Å; I40-N63 HydrophobicContact CG1-CB 4.37Å; I40-W116 VanDerWaalsContact O-CE2 3.3Å; I40-W116 WeakPolarHBondContact O-CZ2 3.47Å; I40-W116 PolarHBondContact O-NE1 3.3Å; I40-I123 HydrophobicContact CD1-CG2 4.15Å; I40-I123 VanDerWaalsContact CD1-O 3.29Å; I40-I123 WeakPolarHBondContact CD1-O 3.4Å; I40-I123 HydrophobicContact CG2-CG2 4.47Å; I40-L128 HydrophobicContact CD1-CD1 3.62Å; I40-L128 HydrophobicContact CD1-CG 4.17Å; I40-L128 HydrophobicContact CG1-CD1 3.78Å; I40-L128 HydrophobicContact CG2-CD1 3.98Å
41H97.7Very high93.6Very high2 Ų234.7 Ų34.71%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-135.5139.5178-65.9-78.7000109.8I19 D20 I36 P37 G39 A62 Y108 W116I19-H41 HydrophobicContact CD1-CB 4.1Å; I19-H41 HydrophobicContact CG1-CB 4.19Å; D20-H41 WeakPolarHBondContact OD1-CA 3.34Å; D20-H41 WeakPolarHBondContact OD1-CB 3.47Å; D20-H41 IonicContact OD1-CG 2.8Å; D20-H41 IonicContact OD1-ND1 3.29Å; D20-H41 PolarHBondContact OD1-ND1 3.24Å; D20-H41 IonicContact OD2-CE1 3.38Å; D20-H41 IonicContact OD2-CG 2.82Å; D20-H41 IonicContact OD2-ND1 3.58Å; D20-H41 PolarHBondContact OD2-ND1 3.02Å; I36-H41 VanDerWaalsContact CG2-CD2 3.49Å; I36-H41 WeakPolarHBondContact CG2-CD2 3.45Å; P37-H41 PolarHBondContact O-NE2 3.43Å; P37-H41 VanDerWaalsContact O-NE2 3.15Å; G39-H41 PolarHBondContact O-CD2 3.28Å; H41-A62 HydrophobicContact CB-CB 4.44Å; H41-A62 PolarHBondContact N-O 3.44Å; H41-A62 PolarHBondContact O-N 3.17Å; H41-Y108 AromaticContact ND1-CE2 3.92Å; H41-W116 AromaticContact CE1-NE1 3.86Å; H41-W116 AromaticContact ND1-CD1 3.99Å; H41-W116 AromaticContact ND1-NE1 3.59Å
42F97.8Very high92.7Very high1 Ų133.7 Ų33.70%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-99.7121.4-179.7-83.133000108.4I19 D20 I40 V61 W116 I123 L128 L138 F251 L254 L258I19-F42 CarbonylContact C-O 3.48Å; I19-F42 VanDerWaalsContact CA-O 3.25Å; I19-F42 WeakPolarHBondContact CA-O 3.34Å; D20-F42 PolarHBondContact N-O 3.27Å; D20-F42 PolarHBondContact OD1-N 2.86Å; I40-F42 HydrophobicContact CG2-CD1 4.17Å; I40-F42 HydrophobicContact CG2-CE1 3.88Å; F42-V61 HydrophobicContact CD1-CG1 4.07Å; F42-V61 HydrophobicContact CD1-CG2 3.95Å; F42-V61 HydrophobicContact CE1-CB 4.5Å; F42-V61 HydrophobicContact CE1-CG1 3.98Å; F42-V61 HydrophobicContact CE1-CG2 3.71Å; F42-V61 HydrophobicContact CZ-CG2 4.12Å; F42-W116 HydrophobicContact CB-CH2 3.9Å; F42-W116 HydrophobicContact CB-CZ3 4.47Å; F42-W116 AromaticContact CD1-CH2 3.63Å; F42-W116 HydrophobicContact CD1-CH2 3.63Å; F42-W116 HydrophobicContact CD1-CZ2 4.11Å; F42-W116 HydrophobicContact CE1-CH2 4.26Å; F42-W116 AromaticContact CG-CH2 3.77Å; F42-W116 HydrophobicContact CG-CH2 3.77Å; F42-I123 HydrophobicContact CZ-CD1 4.33Å; F42-L128 HydrophobicContact CE1-CD2 4.34Å; F42-L138 HydrophobicContact CE2-CD1 4.29Å; F42-F251 HydrophobicContact CE2-CD2 4.3Å; F42-F251 HydrophobicContact CE2-CE2 4.22Å; F42-F251 AromaticContact CZ-CD2 3.65Å; F42-F251 HydrophobicContact CZ-CD2 3.65Å; F42-F251 AromaticContact CZ-CE2 3.73Å; F42-F251 HydrophobicContact CZ-CE2 3.73Å; F42-L254 HydrophobicContact CD2-CB 4.32Å; F42-L254 HydrophobicContact CE2-CB 4.01Å; F42-L258 HydrophobicContact CB-CD1 3.76Å; F42-L258 HydrophobicContact CD2-CD1 4.07Å; F42-L258 HydrophobicContact CG-CD1 4.28Å
43V97.7Very high92Very high0 Ų039.5 Ų39.50%023%0.23CC..EExtended strand (participates in β ladder)trans-109.3131.6175.9-176.30000107.7L6 L17 G18 I19 G59 F60 A62L6-V43 HydrophobicContact CD2-CG1 4.1Å; L6-V43 HydrophobicContact CD2-CG2 3.77Å; L17-V43 HydrophobicContact CD1-CG1 4.03Å; G18-V43 WeakPolarHBondContact O-CA 3.21Å; I19-V43 HydrophobicContact CD1-CG2 4.19Å; I19-V43 HydrophobicContact CG1-CG2 4.13Å; V43-G59 CarbonylContact O-C 3.58Å; V43-G59 WeakPolarHBondContact O-CA 3.34Å; V43-F60 HydrophobicContact CB-CD1 4.45Å; V43-F60 HydrophobicContact CB-CD2 4.08Å; V43-F60 HydrophobicContact CB-CE1 3.97Å; V43-F60 HydrophobicContact CB-CE2 3.55Å; V43-F60 HydrophobicContact CB-CG 4.5Å; V43-F60 HydrophobicContact CB-CZ 3.49Å; V43-F60 VanDerWaalsContact CB-CZ 3.49Å; V43-F60 HydrophobicContact CG1-CE1 3.78Å; V43-F60 HydrophobicContact CG1-CE2 4.06Å; V43-F60 HydrophobicContact CG1-CZ 3.44Å; V43-F60 VanDerWaalsContact CG1-CZ 3.44Å; V43-F60 HydrophobicContact CG2-CD2 4.42Å; V43-F60 HydrophobicContact CG2-CE2 3.67Å; V43-F60 HydrophobicContact CG2-CZ 3.92Å; V43-F60 PolarHBondContact N-O 3.31Å; V43-F60 PolarHBondContact O-N 2.87Å; V43-F60 VanDerWaalsContact O-O 3.07Å; V43-A62 HydrophobicContact CG2-CB 4.21Å
44Y96.5Very high91.4Very high8 Ų841.7 Ų41.73%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-141.1150.4-177.553.5-88.7000110.5L17 G18 D20 F23 V58 L258L17-Y44 CarbonylContact C-O 3.57Å; L17-Y44 WeakPolarHBondContact CA-O 3.49Å; G18-Y44 PolarHBondContact N-O 3.49Å; G18-Y44 PolarHBondContact O-N 3.04Å; D20-Y44 WeakPolarHBondContact O-CE1 3.21Å; D20-Y44 PolarHBondContact O-OH 3.24Å; F23-Y44 HydrophobicContact CB-CE2 3.88Å; Y44-V58 CarbonylContact C-O 3.47Å; Y44-V58 VanDerWaalsContact CA-O 3.3Å; Y44-V58 WeakPolarHBondContact CA-O 3.23Å; Y44-L258 HydrophobicContact CD1-CB 3.87Å; Y44-L258 HydrophobicContact CD1-CD1 4.46Å; Y44-L258 HydrophobicContact CE1-CB 3.93Å; Y44-L258 HydrophobicContact CE1-CD1 4.15Å; Y44-L258 HydrophobicContact CE1-CD2 3.91Å; Y44-L258 HydrophobicContact CE1-CG 4.21Å; Y44-L258 HydrophobicContact CG-CB 4.46Å
45Y95.6Very high90.9Very high2 Ų241.7 Ų41.71%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-151.5158.1-177.548-79.8000112.1E16 L17 R57 V58 F60 W74 D80 F81E16-Y45 CarbonylContact O-C 3.51Å; E16-Y45 WeakPolarHBondContact O-CA 3.33Å; E16-Y45 WeakPolarHBondContact O-CB 3.5Å; L17-Y45 HydrophobicContact CD1-CD1 4.3Å; Y45-R57 WeakPolarHBondContact O-CA 3.16Å; Y45-V58 WeakPolarHBondContact CD1-O 3.47Å; Y45-V58 HydrophobicContact CD2-CB 4.46Å; Y45-V58 WeakPolarHBondContact CE1-O 3.43Å; Y45-V58 HydrophobicContact CE2-CB 3.87Å; Y45-V58 HydrophobicContact CE2-CG1 4.35Å; Y45-V58 PolarHBondContact N-O 3.11Å; Y45-V58 PolarHBondContact O-N 3.25Å; Y45-F60 HydrophobicContact CD1-CE1 4.46Å; Y45-F60 AromaticContact CE1-CD1 3.8Å; Y45-F60 HydrophobicContact CE1-CD1 3.8Å; Y45-F60 AromaticContact CE1-CE1 3.83Å; Y45-F60 HydrophobicContact CE1-CE1 3.83Å; Y45-W74 AromaticContact CD2-CH2 3.88Å; Y45-W74 HydrophobicContact CD2-CH2 3.88Å; Y45-W74 AromaticContact CD2-CZ3 3.58Å; Y45-W74 HydrophobicContact CD2-CZ3 3.58Å; Y45-W74 HydrophobicContact CE2-CH2 4.05Å; Y45-W74 AromaticContact CE2-CZ3 3.65Å; Y45-W74 HydrophobicContact CE2-CZ3 3.65Å; Y45-W74 HydrophobicContact CG-CZ3 4.46Å; Y45-D80 PolarHBondContact OH-OD1 3.45Å; Y45-F81 HydrophobicContact CD1-CD2 4Å; Y45-F81 AromaticContact CD1-CE2 3.85Å; Y45-F81 HydrophobicContact CD1-CE2 3.85Å; Y45-F81 HydrophobicContact CD2-CD2 4.38Å; Y45-F81 HydrophobicContact CD2-CE2 4.2Å; Y45-F81 AromaticContact CE1-CD2 3.62Å; Y45-F81 HydrophobicContact CE1-CD2 3.62Å; Y45-F81 AromaticContact CE1-CE2 3.97Å; Y45-F81 HydrophobicContact CE1-CE2 3.97Å; Y45-F81 AromaticContact CE2-CD2 3.97Å; Y45-F81 HydrophobicContact CE2-CD2 3.97Å; Y45-F81 HydrophobicContact CE2-CE2 4.26Å; Y45-F81 HydrophobicContact CG-CD2 4.4Å; Y45-F81 HydrophobicContact CG-CE2 4.01Å; Y45-F81 AromaticContact CZ-CD2 3.6Å
46S93.6Very high90.5Very high4 Ų442.6 Ų42.63%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-129.8118.2168.2-65.40000107.7E16 G55 R57E16-S46 PolarHBondContact N-O 3.48Å; E16-S46 VanDerWaalsContact N-O 3.11Å; E16-S46 PolarHBondContact O-N 2.93Å; S46-G55 PolarHBondContact OG-O 3.19Å; S46-R57 PolarHBondContact OG-NE 2.94Å; S46-R57 PolarHBondContact OG-NH2 3.33Å
47A89.9Confident90.3Very high11 Ų1143.2 Ų43.29%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-59148.117100000109.5S54 G55 W74 E79A47-S54 CarbonylContact O-C 3.51Å; A47-G55 PolarHBondContact O-N 2.77Å; A47-W74 HydrophobicContact CB-CH2 3.95Å; A47-W74 HydrophobicContact CB-CZ2 3.87Å; A47-E79 HydrophobicContact CB-CB 4.27Å
48V87Confident90.2Very high26 Ų2642.4 Ų42.416%0.15826%0.256CS..EExtended strand (participates in β ladder)trans-117.9131.6-178.5174.10000109.5N14 C52 M53N14-V48 HydrophobicContact CB-CB 4.37Å; N14-V48 HydrophobicContact CB-CG1 4.15Å; N14-V48 VanDerWaalsContact O-CG2 3.26Å; N14-V48 WeakPolarHBondContact O-CG2 3.45Å; V48-C52 VanDerWaalsContact CG1-C 3.48Å; V48-C52 HydrophobicContact CG1-CB 4.41Å; V48-M53 WeakPolarHBondContact CA-O 3.22Å
49N82.9Confident90.2Very high79 Ų7937.7 Ų37.742%0.42223%0.231SC..  trans-80.2-179.2178.174.64.1000112D51 C52 M53N49-D51 PolarHBondContact O-N 2.83Å; N49-D51 VanDerWaalsContact O-N 3.13Å; N49-D51 WeakPolarHBondContact OD1-CA 3.19Å; N49-D51 PolarHBondContact OD1-N 3.22Å; N49-C52 PolarHBondContact O-N 3.45Å; N49-C52 VanDerWaalsContact O-N 3.1Å; N49-C52 PolarHBondContact OD1-N 3.45Å; N49-M53 PolarHBondContact N-O 2.82Å; N49-M53 WeakPolarHBondContact OD1-CB 3.42Å; N49-M53 PolarHBondContact OD1-N 2.95Å; N49-M53 PolarHBondContact OD1-O 3.36Å
50S80.2Confident90.3Very high112 Ų11236.6 Ų36.678%0.78322%0.219SC*.THydrogen-bonded Turntrans-59.6-23.9178.651.60000114.4C52S50-C52 VanDerWaalsContact C-N 3.27Å; S50-C52 PolarHBondContact O-N 3.23Å
51D82.1Confident90.3Very high120 Ų12037.2 Ų37.264%0.64222%0.223SC*.THydrogen-bonded Turntrans-91.712.6-178.4-57-32000112.2N49 M53N49-D51 PolarHBondContact O-N 2.83Å; N49-D51 VanDerWaalsContact O-N 3.13Å; N49-D51 WeakPolarHBondContact OD1-CA 3.19Å; N49-D51 PolarHBondContact OD1-N 3.22Å; D51-M53 HydrophobicContact CB-CG 4.15Å; D51-M53 PolarHBondContact O-N 3.41Å
52C76.9Confident90.2Very high71 Ų7137.1 Ų37.148%0.4822%0.223SC..SBendtrans60.922.8-175.6-58.10000114.2V48 N49 S50V48-C52 VanDerWaalsContact CG1-C 3.48Å; V48-C52 HydrophobicContact CG1-CB 4.41Å; N49-C52 PolarHBondContact O-N 3.45Å; N49-C52 VanDerWaalsContact O-N 3.1Å; N49-C52 PolarHBondContact OD1-N 3.45Å; S50-C52 VanDerWaalsContact C-N 3.27Å; S50-C52 PolarHBondContact O-N 3.23Å
53M82.1Confident90.1Very high123 Ų12339.9 Ų39.961%0.60624%0.238SC*.  trans-92.4127.9176.7-58.5-58.9-64.100110.2V48 N49 D51V48-M53 WeakPolarHBondContact CA-O 3.22Å; N49-M53 PolarHBondContact N-O 2.82Å; N49-M53 WeakPolarHBondContact OD1-CB 3.42Å; N49-M53 PolarHBondContact OD1-N 2.95Å; N49-M53 PolarHBondContact OD1-O 3.36Å; D51-M53 HydrophobicContact CB-CG 4.15Å; D51-M53 PolarHBondContact O-N 3.41Å
54S84.3Confident90Very high47 Ų4740.3 Ų40.333%0.32924%0.24SC..EExtended strand (participates in β ladder)trans-73.9130.5178-56.10000110.4E16 A47E16-S54 PolarHBondContact OE1-OG 3.19Å; A47-S54 CarbonylContact O-C 3.51Å
55G85.9Confident89.8Confident41 Ų4144.8 Ų44.842%0.42327%0.272SS..EExtended strand (participates in β ladder)trans-81.1-162.8175.700000112.7S46 A47S46-G55 PolarHBondContact OG-O 3.19Å; A47-G55 PolarHBondContact O-N 2.77Å
56Q88.3Confident89.7Confident70 Ų7051.5 Ų51.533%0.32730%0.304SS..EExtended strand (participates in β ladder)trans-56.7141.1178.2-166.6-175.47.200110.9S140 C141 H143Q56-S140 WeakPolarHBondContact CG-OG 3.49Å; Q56-S140 PolarHBondContact NE2-OG 3.46Å; Q56-C141 PolarHBondContact NE2-O 3.13Å; Q56-C141 VanDerWaalsContact NE2-O 3.12Å; Q56-C141 PolarHBondContact NE2-SG 3.23Å; Q56-H143 PolarHBondContact OE1-NE2 3.07Å
57R92.2Very high89.7Confident15 Ų1554 Ų546%0.05732%0.32CS..EExtended strand (participates in β ladder)trans-80.3131.6173.2-171154.7-62.2-130.3-11.3110.7E16 Y45 S46 S140 L258E16-R57 IonicContact OE2-NH2 3.86Å; E16-R57 PolarHBondContact OE2-NH2 2.86Å; Y45-R57 WeakPolarHBondContact O-CA 3.16Å; S46-R57 PolarHBondContact OG-NE 2.94Å; S46-R57 PolarHBondContact OG-NH2 3.33Å; R57-S140 PolarHBondContact O-N 3.02Å; R57-L258 WeakPolarHBondContact CD-O 3.41Å
58V94.4Very high89.7Confident13 Ų1354.4 Ų54.48%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-129.8137.5176.6-170.30000108.2Y44 Y45 R137 L138 Y139Y44-V58 CarbonylContact C-O 3.47Å; Y44-V58 VanDerWaalsContact CA-O 3.3Å; Y44-V58 WeakPolarHBondContact CA-O 3.23Å; Y45-V58 WeakPolarHBondContact CD1-O 3.47Å; Y45-V58 HydrophobicContact CD2-CB 4.46Å; Y45-V58 WeakPolarHBondContact CE1-O 3.43Å; Y45-V58 HydrophobicContact CE2-CB 3.87Å; Y45-V58 HydrophobicContact CE2-CG1 4.35Å; Y45-V58 PolarHBondContact N-O 3.11Å; Y45-V58 PolarHBondContact O-N 3.25Å; V58-R137 HydrophobicContact CG1-CB 4.09Å; V58-R137 HydrophobicContact CG1-CG 4.32Å; V58-L138 CarbonylContact C-O 3.48Å; V58-L138 WeakPolarHBondContact CA-O 2.96Å; V58-Y139 HydrophobicContact CB-CD1 4.36Å; V58-Y139 HydrophobicContact CB-CE1 4.44Å; V58-Y139 HydrophobicContact CG1-CD1 3.86Å; V58-Y139 HydrophobicContact CG1-CE1 3.66Å; V58-Y139 HydrophobicContact CG2-CD1 3.8Å; V58-Y139 HydrophobicContact CG2-CE1 3.93Å
59G96.1Very high89.9Confident0 Ų055 Ų550%033%0.325CS..EExtended strand (participates in β ladder)trans-127.8167174.500000113.7V43 R137 L138 N259V43-G59 CarbonylContact O-C 3.58Å; V43-G59 WeakPolarHBondContact O-CA 3.34Å; G59-R137 CarbonylContact O-C 3.46Å; G59-R137 VanDerWaalsContact O-CA 3.26Å; G59-R137 WeakPolarHBondContact O-CA 3.34Å; G59-L138 PolarHBondContact N-O 2.81Å; G59-L138 PolarHBondContact O-N 3.47Å; G59-N259 WeakPolarHBondContact CA-OD1 3.4Å
60F97.2Very high90.4Very high4 Ų453 Ų532%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-145164.8166.463-98.9000109L6 V43 Y45 A62 K72 F81 G136L6-F60 HydrophobicContact CD1-CE2 4.49Å; L6-F60 HydrophobicContact CD1-CZ 4.4Å; L6-F60 HydrophobicContact CD2-CZ 4.46Å; V43-F60 HydrophobicContact CB-CD1 4.45Å; V43-F60 HydrophobicContact CB-CD2 4.08Å; V43-F60 HydrophobicContact CB-CE1 3.97Å; V43-F60 HydrophobicContact CB-CE2 3.55Å; V43-F60 HydrophobicContact CB-CG 4.5Å; V43-F60 HydrophobicContact CB-CZ 3.49Å; V43-F60 VanDerWaalsContact CB-CZ 3.49Å; V43-F60 HydrophobicContact CG1-CE1 3.78Å; V43-F60 HydrophobicContact CG1-CE2 4.06Å; V43-F60 HydrophobicContact CG1-CZ 3.44Å; V43-F60 VanDerWaalsContact CG1-CZ 3.44Å; V43-F60 HydrophobicContact CG2-CD2 4.42Å; V43-F60 HydrophobicContact CG2-CE2 3.67Å; V43-F60 HydrophobicContact CG2-CZ 3.92Å; V43-F60 PolarHBondContact N-O 3.31Å; V43-F60 PolarHBondContact O-N 2.87Å; V43-F60 VanDerWaalsContact O-O 3.07Å; Y45-F60 HydrophobicContact CD1-CE1 4.46Å; Y45-F60 AromaticContact CE1-CD1 3.8Å; Y45-F60 HydrophobicContact CE1-CD1 3.8Å; Y45-F60 AromaticContact CE1-CE1 3.83Å; Y45-F60 HydrophobicContact CE1-CE1 3.83Å; F60-A62 HydrophobicContact CE2-CB 4.42Å; F60-K72 HydrophobicContact CD1-CD 4.28Å; F60-K72 HydrophobicContact CD2-CD 4.42Å; F60-K72 HydrophobicContact CE1-CD 3.66Å; F60-K72 HydrophobicContact CE2-CD 3.83Å; F60-K72 HydrophobicContact CZ-CD 3.41Å; F60-K72 VanDerWaalsContact CZ-CD 3.41Å; F60-K72 VanDerWaalsContact CZ-CE 3.45Å; F60-F81 HydrophobicContact CE1-CD2 4.22Å; F60-G136 WeakPolarHBondContact CB-O 3.41Å
61V97.6Very high91.2Very high32 Ų3248 Ų4819%0.19428%0.279CS..EExtended strand (participates in β ladder)trans-104.1124.2179.8-174.30000110I40 F42 L128 V132 L138I40-V61 HydrophobicContact CG2-CG1 3.63Å; F42-V61 HydrophobicContact CD1-CG1 4.07Å; F42-V61 HydrophobicContact CD1-CG2 3.95Å; F42-V61 HydrophobicContact CE1-CB 4.5Å; F42-V61 HydrophobicContact CE1-CG1 3.98Å; F42-V61 HydrophobicContact CE1-CG2 3.71Å; F42-V61 HydrophobicContact CZ-CG2 4.12Å; V61-L128 HydrophobicContact CB-CD1 4.38Å; V61-L128 HydrophobicContact CB-CD2 4.44Å; V61-L128 HydrophobicContact CG1-CD1 3.5Å; V61-L128 VanDerWaalsContact CG1-CD1 3.5Å; V61-L128 HydrophobicContact CG1-CD2 3.97Å; V61-L128 HydrophobicContact CG1-CG 4.37Å; V61-L128 HydrophobicContact CG2-CD2 4.08Å; V61-V132 HydrophobicContact CG2-CG2 4.14Å; V61-L138 HydrophobicContact CG2-CD1 4.05Å
62A96.6Very high91.9Very high1 Ų142.6 Ų42.61%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-96.7113.817200000108.9H41 V43 F60 F64 I70H41-A62 HydrophobicContact CB-CB 4.44Å; H41-A62 PolarHBondContact N-O 3.44Å; H41-A62 PolarHBondContact O-N 3.17Å; V43-A62 HydrophobicContact CG2-CB 4.21Å; F60-A62 HydrophobicContact CE2-CB 4.42Å; A62-F64 HydrophobicContact CB-CD2 4.43Å; A62-F64 HydrophobicContact CB-CE2 3.88Å; A62-I70 HydrophobicContact CB-CD1 3.88Å
63N95.6Very high92.8Very high58 Ų5843.3 Ų43.331%0.3125%0.245SC..EExtended strand (participates in β ladder)trans-111.1105179.2-175.911.7000110.4I40 T125I40-N63 HydrophobicContact CG1-CB 4.37Å; N63-T125 PolarHBondContact ND2-OG1 2.82Å
64F95.4Very high93.5Very high9 Ų938.2 Ų38.24%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-9894.5179.6-66.9-78000111.1C4 I36 L38 G39 A62 I70C4-F64 HydrophobicContact CB-CB 4.07Å; C4-F64 HydrophobicContact CB-CD1 3.44Å; C4-F64 VanDerWaalsContact CB-CD1 3.44Å; C4-F64 HydrophobicContact CB-CD2 3.99Å; C4-F64 HydrophobicContact CB-CE1 3.71Å; C4-F64 HydrophobicContact CB-CE2 4.24Å; C4-F64 HydrophobicContact CB-CG 3.58Å; C4-F64 HydrophobicContact CB-CZ 4.1Å; C4-F64 VanDerWaalsContact SG-CB 3.55Å; I36-F64 HydrophobicContact CB-CE2 4.31Å; I36-F64 HydrophobicContact CD1-CE2 3.96Å; I36-F64 HydrophobicContact CD1-CZ 4.18Å; I36-F64 HydrophobicContact CG2-CD2 4.08Å; I36-F64 HydrophobicContact CG2-CE2 3.95Å; L38-F64 HydrophobicContact CD2-CB 4.39Å; L38-F64 WeakPolarHBondContact CD2-O 3.48Å; G39-F64 PolarHBondContact N-O 3.26Å; G39-F64 PolarHBondContact O-N 3.3Å; A62-F64 HydrophobicContact CB-CD2 4.43Å; A62-F64 HydrophobicContact CB-CE2 3.88Å; F64-I70 HydrophobicContact CD1-CD1 4.07Å; F64-I70 HydrophobicContact CD1-CG1 4.26Å; F64-I70 HydrophobicContact CD2-CD1 4.5Å; F64-I70 HydrophobicContact CE1-CB 4.1Å; F64-I70 HydrophobicContact CE1-CD1 3.58Å; F64-I70 HydrophobicContact CE1-CG1 3.54Å; F64-I70 HydrophobicContact CE2-CD1 4.05Å; F64-I70 HydrophobicContact CZ-CB 4.08Å; F64-I70 HydrophobicContact CZ-CD1 3.57Å; F64-I70 HydrophobicContact CZ-CG1 3.84Å
65S92.3Very high94Very high103 Ų10339.4 Ų39.472%0.7222%0.22SC*.SBendtrans-76.7-23.4174.157.90000113.5
66Q92.8Very high94.2Very high143 Ų14345.4 Ų45.467%0.66823%0.234SC*.SBendtrans-147.2157.3177.861.9-175.9-7.300110.8L38 G68L38-Q66 VanDerWaalsContact CD2-C 3.44Å; Q66-G68 PolarHBondContact O-N 2.81Å
67P92.7Very high94.3Very high57 Ų5749.7 Ų49.737%0.3725%0.254SS..SBendtrans-57.7131.6176.3-24.535.1000111.7L38L38-P67 HydrophobicContact CD2-CG 4.39Å
68G91.8Very high94.2Very high19 Ų1955.6 Ų55.620%0.19628%0.282CS..  trans173.3-157.4-177.700000113.1C4 Q5 Q66C4-G68 WeakPolarHBondContact CA-O 3.41Å; Q5-G68 PolarHBondContact N-O 3.41Å; Q66-G68 PolarHBondContact O-N 2.81Å
69F90.1Very high94Very high37 Ų3760.6 Ų60.616%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-120.8135.2-176.8-52-84.8000110.4M1 Q5 I7 V71 L86 I94 I95 F98M1-F69 HydrophobicContact CE-CE1 3.63Å; M1-F69 HydrophobicContact CE-CZ 3.56Å; M1-F69 HydrophobicContact SD-CE1 3.77Å; M1-F69 HydrophobicContact SD-CE2 3.93Å; M1-F69 HydrophobicContact SD-CZ 3.28Å; M1-F69 WeakPolarHBondContact SD-CZ 3.31Å; Q5-F69 HydrophobicContact CB-CD1 3.74Å; Q5-F69 HydrophobicContact CB-CE1 4.13Å; Q5-F69 HydrophobicContact CG-CD1 3.91Å; Q5-F69 HydrophobicContact CG-CE1 3.81Å; Q5-F69 WeakPolarHBondContact O-CA 3.31Å; I7-F69 HydrophobicContact CD1-CD1 3.74Å; I7-F69 HydrophobicContact CD1-CE1 4.3Å; I7-F69 HydrophobicContact CG1-CD1 4.45Å; F69-V71 HydrophobicContact CB-CG2 4.09Å; F69-L86 HydrophobicContact CB-CD1 4.43Å; F69-I94 HydrophobicContact CD1-CG2 3.92Å; F69-I94 HydrophobicContact CD2-CG2 4.47Å; F69-I94 HydrophobicContact CE1-CG2 3.53Å; F69-I94 HydrophobicContact CE2-CG2 4.13Å; F69-I94 HydrophobicContact CG-CG2 4.38Å; F69-I94 HydrophobicContact CZ-CG2 3.65Å; F69-I95 HydrophobicContact CE2-CD1 4.41Å; F69-I95 HydrophobicContact CE2-CG1 3.81Å; F69-I95 HydrophobicContact CZ-CG1 4.02Å; F69-F98 HydrophobicContact CE1-CD2 4.02Å; F69-F98 HydrophobicContact CE1-CE2 4.07Å; F69-F98 HydrophobicContact CZ-CD2 4.48Å
70I94.6Very high93.9Very high39 Ų3961.9 Ų61.920%0.231%0.312CS..EExtended strand (participates in β ladder)trans-105.3124.4155.3-69.4173.4000106.1Q5 L6 I7 A62 F64 K72Q5-I70 PolarHBondContact O-N 3.13Å; L6-I70 WeakPolarHBondContact CA-O 3.38Å; L6-I70 HydrophobicContact CD1-CB 3.97Å; L6-I70 HydrophobicContact CD1-CG2 3.72Å; I7-I70 PolarHBondContact N-O 2.93Å; A62-I70 HydrophobicContact CB-CD1 3.88Å; F64-I70 HydrophobicContact CD1-CD1 4.07Å; F64-I70 HydrophobicContact CD1-CG1 4.26Å; F64-I70 HydrophobicContact CD2-CD1 4.5Å; F64-I70 HydrophobicContact CE1-CB 4.1Å; F64-I70 HydrophobicContact CE1-CD1 3.58Å; F64-I70 HydrophobicContact CE1-CG1 3.54Å; F64-I70 HydrophobicContact CE2-CD1 4.05Å; F64-I70 HydrophobicContact CZ-CB 4.08Å; F64-I70 HydrophobicContact CZ-CD1 3.57Å; F64-I70 HydrophobicContact CZ-CG1 3.84Å; I70-K72 HydrophobicContact CG2-CG 4.46Å
71V95.7Very high93.8Very high6 Ų661.8 Ų61.84%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-117.1127.4-179.1-172.40000109.4I7 F69 I84 L86 I94I7-V71 HydrophobicContact CB-CG1 4.28Å; I7-V71 HydrophobicContact CB-CG2 4.09Å; I7-V71 HydrophobicContact CD1-CG2 4.28Å; I7-V71 HydrophobicContact CG2-CG1 4.34Å; I7-V71 WeakPolarHBondContact O-CA 3.4Å; F69-V71 HydrophobicContact CB-CG2 4.09Å; V71-I84 HydrophobicContact CB-CB 4.29Å; V71-I84 HydrophobicContact CG1-CB 4.17Å; V71-I84 HydrophobicContact CG1-CD1 4.09Å; V71-I84 PolarHBondContact O-N 3.07Å; V71-L86 HydrophobicContact CB-CD1 4.45Å; V71-L86 HydrophobicContact CB-CD2 4.2Å; V71-L86 HydrophobicContact CB-CG 4.35Å; V71-L86 HydrophobicContact CG1-CD2 4.44Å; V71-L86 HydrophobicContact CG2-CD1 3.58Å; V71-L86 HydrophobicContact CG2-CD2 4.02Å; V71-L86 HydrophobicContact CG2-CG 4Å; V71-I94 HydrophobicContact CG2-CD1 4.25Å
72K97.1Very high93.7Very high7 Ų763.2 Ų63.23%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-130.7153.3176.5-72.3173.6178.8-80.40110.2I7 L8 H9 F60 I70 F81 I82 D83I7-K72 PolarHBondContact O-N 3.01Å; L8-K72 WeakPolarHBondContact CA-O 3.5Å; L8-K72 HydrophobicContact CD2-CB 3.85Å; L8-K72 HydrophobicContact CD2-CD 4.44Å; H9-K72 PolarHBondContact N-O 3.3Å; F60-K72 HydrophobicContact CD1-CD 4.28Å; F60-K72 HydrophobicContact CD2-CD 4.42Å; F60-K72 HydrophobicContact CE1-CD 3.66Å; F60-K72 HydrophobicContact CE2-CD 3.83Å; F60-K72 HydrophobicContact CZ-CD 3.41Å; F60-K72 VanDerWaalsContact CZ-CD 3.41Å; F60-K72 VanDerWaalsContact CZ-CE 3.45Å; I70-K72 HydrophobicContact CG2-CG 4.46Å; K72-F81 HydrophobicContact CB-CB 4.06Å; K72-F81 HydrophobicContact CB-CD1 3.91Å; K72-F81 HydrophobicContact CB-CG 4.21Å; K72-F81 HydrophobicContact CD-CB 4.12Å; K72-F81 HydrophobicContact CG-CB 4.47Å; K72-I82 CarbonylContact C-O 3.48Å; K72-I82 WeakPolarHBondContact CA-O 3.5Å; K72-I82 WeakPolarHBondContact CB-O 3.31Å; K72-D83 WeakPolarHBondContact CE-OD1 3.33Å; K72-D83 IonicContact NZ-OD1 3.79Å; K72-D83 PolarHBondContact NZ-OD1 3.02Å; K72-D83 IonicContact NZ-OD2 3.43Å; K72-D83 PolarHBondContact NZ-OD2 2.84Å; K72-D83 VanDerWaalsContact NZ-OD2 3.09Å
73K96.4Very high93.5Very high86 Ų8667.4 Ų67.437%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-127.1135.1176.1170.9175.2176.4169.60110.6H9 D10 F81 I82 I84H9-K73 HydrophobicContact CB-CB 4.04Å; H9-K73 HydrophobicContact CB-CG 4.18Å; D10-K73 WeakPolarHBondContact OD2-CE 3.34Å; D10-K73 IonicContact OD2-NZ 3.14Å; K73-F81 CarbonylContact O-C 3.41Å; K73-F81 WeakPolarHBondContact O-CA 3.48Å; K73-I82 HydrophobicContact CB-CG1 4.23Å; K73-I82 PolarHBondContact N-O 3.28Å; K73-I82 VanDerWaalsContact O-CG1 3.32Å; K73-I82 WeakPolarHBondContact O-CG1 3.37Å; K73-I82 PolarHBondContact O-N 2.89Å; K73-I84 HydrophobicContact CB-CD1 3.44Å; K73-I84 VanDerWaalsContact CB-CD1 3.44Å; K73-I84 HydrophobicContact CB-CG1 4.17Å; K73-I84 HydrophobicContact CD-CD1 4.47Å
74W96.2Very high93.3Very high15 Ų1567 Ų676%0.05734%0.337CS..EExtended strand (participates in β ladder)trans-67.9130.9174.6-168.7-97.1000111H9 D10 P12 Y45 A47 E79 F81H9-W74 WeakPolarHBondContact O-CB 3.45Å; H9-W74 PolarHBondContact O-N 2.88Å; D10-W74 HydrophobicContact CB-CB 4.35Å; D10-W74 VanDerWaalsContact O-CB 3.28Å; D10-W74 WeakPolarHBondContact O-CB 3.33Å; P12-W74 HydrophobicContact CG-CD2 4.15Å; P12-W74 HydrophobicContact CG-CG 4.2Å; P12-W74 HydrophobicContact CG-CZ2 4.16Å; Y45-W74 AromaticContact CD2-CH2 3.88Å; Y45-W74 HydrophobicContact CD2-CH2 3.88Å; Y45-W74 AromaticContact CD2-CZ3 3.58Å; Y45-W74 HydrophobicContact CD2-CZ3 3.58Å; Y45-W74 HydrophobicContact CE2-CH2 4.05Å; Y45-W74 AromaticContact CE2-CZ3 3.65Å; Y45-W74 HydrophobicContact CE2-CZ3 3.65Å; Y45-W74 HydrophobicContact CG-CZ3 4.46Å; A47-W74 HydrophobicContact CB-CH2 3.95Å; A47-W74 HydrophobicContact CB-CZ2 3.87Å; W74-E79 WeakPolarHBondContact CH2-O 3.46Å; W74-E79 HydrophobicContact CZ2-CB 3.98Å; W74-E79 WeakPolarHBondContact CZ2-O 3.45Å; W74-F81 HydrophobicContact CB-CD1 4.38Å; W74-F81 HydrophobicContact CB-CE1 4.15Å; W74-F81 HydrophobicContact CE3-CD1 4.04Å; W74-F81 AromaticContact CE3-CD2 3.85Å; W74-F81 HydrophobicContact CE3-CD2 3.85Å; W74-F81 AromaticContact CE3-CE1 3.76Å; W74-F81 HydrophobicContact CE3-CE1 3.76Å; W74-F81 AromaticContact CE3-CE2 3.58Å; W74-F81 HydrophobicContact CE3-CE2 3.58Å; W74-F81 HydrophobicContact CE3-CG 4.08Å; W74-F81 AromaticContact CE3-CZ 3.53Å; W74-F81 HydrophobicContact CE3-CZ 3.53Å; W74-F81 AromaticContact CZ3-CD2 3.91Å; W74-F81 HydrophobicContact CZ3-CD2 3.91Å; W74-F81 AromaticContact CZ3-CE2 3.62Å; W74-F81 HydrophobicContact CZ3-CE2 3.62Å; W74-F81 HydrophobicContact CZ3-CZ 4Å
75Q94.7Very high93.1Very high73 Ų7373.9 Ų73.934%0.34137%0.374SS..EExtended strand (participates in β ladder)trans-102120.8166-69.5-163.4-20.100108.8E77 E78 E79 D80 I82Q75-E77 VanDerWaalsContact C-N 3.32Å; Q75-E77 PolarHBondContact O-N 3.2Å; Q75-E78 HydrophobicContact CB-CB 4.44Å; Q75-E79 WeakPolarHBondContact O-CA 3.48Å; Q75-E79 PolarHBondContact O-N 2.85Å; Q75-D80 PolarHBondContact N-O 3.44Å; Q75-D80 PolarHBondContact O-N 2.97Å; Q75-I82 HydrophobicContact CG-CB 4.49Å; Q75-I82 HydrophobicContact CG-CD1 4.23Å; Q75-I82 HydrophobicContact CG-CG1 3.97Å; Q75-I82 HydrophobicContact CG-CG2 3.79Å
76K90.7Very high92.8Very high166 Ų16671 Ų7172%0.72235%0.35SS*.THydrogen-bonded Turntrans-70-34.1-173-173.8177.4178.3-178.90111.9
77E90.7Very high92.7Very high160 Ų16067.7 Ų67.775%0.74834%0.34SS*.THydrogen-bonded Turntrans-71.6-38.2-176.4-63.372-158.500112.1Q75Q75-E77 VanDerWaalsContact C-N 3.32Å; Q75-E77 PolarHBondContact O-N 3.2Å
78E89.4Confident92.5Very high139 Ų13971 Ų7165%0.6536%0.355SS*.THydrogen-bonded Turntrans-93.3-7.6-179.4-58.6-59.114200113Q75 D80Q75-E78 HydrophobicContact CB-CB 4.44Å; E78-D80 HydrophobicContact CB-CB 4.34Å; E78-D80 PolarHBondContact O-N 3.38Å; E78-D80 VanDerWaalsContact O-N 3.15Å
79E91.1Very high92.5Very high119 Ų11976.2 Ų76.256%0.55638%0.378SS*.THydrogen-bonded Turntrans48.737.1-171.9-59.5-168.1145.400113.1A47 W74 Q75A47-E79 HydrophobicContact CB-CB 4.27Å; W74-E79 WeakPolarHBondContact CH2-O 3.46Å; W74-E79 HydrophobicContact CZ2-CB 3.98Å; W74-E79 WeakPolarHBondContact CZ2-O 3.45Å; Q75-E79 WeakPolarHBondContact O-CA 3.48Å; Q75-E79 PolarHBondContact O-N 2.85Å
80D93.1Very high92.5Very high27 Ų2777.5 Ų77.514%0.14438%0.384CS..EExtended strand (participates in β ladder)trans-137.9160.7-175.6-163.65.1000111.2Y45 Q75 E78 R137Y45-D80 PolarHBondContact OH-OD1 3.45Å; Q75-D80 PolarHBondContact N-O 3.44Å; Q75-D80 PolarHBondContact O-N 2.97Å; E78-D80 HydrophobicContact CB-CB 4.34Å; E78-D80 PolarHBondContact O-N 3.38Å; E78-D80 VanDerWaalsContact O-N 3.15Å; D80-R137 IonicContact OD1-NE 3.56Å; D80-R137 PolarHBondContact OD1-NE 2.92Å; D80-R137 IonicContact OD2-NE 3.74Å; D80-R137 PolarHBondContact OD2-NE 3.38Å; D80-R137 VanDerWaalsContact OD2-NE 3.14Å
81F95.2Very high92.2Very high1 Ų178.3 Ų78.30%0.00439%0.389CS..EExtended strand (participates in β ladder)trans-82.7141.9169.8-74.6-71.9000111.3L8 V11 Y45 F60 K72 K73 W74 R137L8-F81 HydrophobicContact CB-CE1 3.97Å; L8-F81 HydrophobicContact CB-CZ 4.25Å; L8-F81 HydrophobicContact CD1-CE1 4.48Å; L8-F81 HydrophobicContact CD1-CZ 4.02Å; L8-F81 HydrophobicContact CD2-CD1 4.22Å; L8-F81 HydrophobicContact CD2-CE1 3.92Å; L8-F81 HydrophobicContact CD2-CZ 4.14Å; L8-F81 HydrophobicContact CG-CE1 4.34Å; L8-F81 HydrophobicContact CG-CZ 4.36Å; V11-F81 HydrophobicContact CG1-CZ 4.26Å; V11-F81 HydrophobicContact CG2-CE1 3.9Å; V11-F81 HydrophobicContact CG2-CZ 3.84Å; Y45-F81 HydrophobicContact CD1-CD2 4Å; Y45-F81 AromaticContact CD1-CE2 3.85Å; Y45-F81 HydrophobicContact CD1-CE2 3.85Å; Y45-F81 HydrophobicContact CD2-CD2 4.38Å; Y45-F81 HydrophobicContact CD2-CE2 4.2Å; Y45-F81 AromaticContact CE1-CD2 3.62Å; Y45-F81 HydrophobicContact CE1-CD2 3.62Å; Y45-F81 AromaticContact CE1-CE2 3.97Å; Y45-F81 HydrophobicContact CE1-CE2 3.97Å; Y45-F81 AromaticContact CE2-CD2 3.97Å; Y45-F81 HydrophobicContact CE2-CD2 3.97Å; Y45-F81 HydrophobicContact CE2-CE2 4.26Å; Y45-F81 HydrophobicContact CG-CD2 4.4Å; Y45-F81 HydrophobicContact CG-CE2 4.01Å; Y45-F81 AromaticContact CZ-CD2 3.6Å; F60-F81 HydrophobicContact CE1-CD2 4.22Å; K72-F81 HydrophobicContact CB-CB 4.06Å; K72-F81 HydrophobicContact CB-CD1 3.91Å; K72-F81 HydrophobicContact CB-CG 4.21Å; K72-F81 HydrophobicContact CD-CB 4.12Å; K72-F81 HydrophobicContact CG-CB 4.47Å; K73-F81 CarbonylContact O-C 3.41Å; K73-F81 WeakPolarHBondContact O-CA 3.48Å; W74-F81 HydrophobicContact CB-CD1 4.38Å; W74-F81 HydrophobicContact CB-CE1 4.15Å; W74-F81 HydrophobicContact CE3-CD1 4.04Å; W74-F81 AromaticContact CE3-CD2 3.85Å; W74-F81 HydrophobicContact CE3-CD2 3.85Å; W74-F81 AromaticContact CE3-CE1 3.76Å; W74-F81 HydrophobicContact CE3-CE1 3.76Å; W74-F81 AromaticContact CE3-CE2 3.58Å; W74-F81 HydrophobicContact CE3-CE2 3.58Å; W74-F81 HydrophobicContact CE3-CG 4.08Å; W74-F81 AromaticContact CE3-CZ 3.53Å; W74-F81 HydrophobicContact CE3-CZ 3.53Å; W74-F81 AromaticContact CZ3-CD2 3.91Å; W74-F81 HydrophobicContact CZ3-CD2 3.91Å; W74-F81 AromaticContact CZ3-CE2 3.62Å; W74-F81 HydrophobicContact CZ3-CE2 3.62Å; W74-F81 HydrophobicContact CZ3-CZ 4Å; F81-R137 PolarHBondContact O-NH2 3.04Å
82I94.5Very high92Very high63 Ų6384.4 Ų84.432%0.32342%0.416SS..EExtended strand (participates in β ladder)trans-105.214616256.3158.5000110.8K72 K73 Q75K72-I82 CarbonylContact C-O 3.48Å; K72-I82 WeakPolarHBondContact CA-O 3.5Å; K72-I82 WeakPolarHBondContact CB-O 3.31Å; K73-I82 HydrophobicContact CB-CG1 4.23Å; K73-I82 PolarHBondContact N-O 3.28Å; K73-I82 VanDerWaalsContact O-CG1 3.32Å; K73-I82 WeakPolarHBondContact O-CG1 3.37Å; K73-I82 PolarHBondContact O-N 2.89Å; Q75-I82 HydrophobicContact CG-CB 4.49Å; Q75-I82 HydrophobicContact CG-CD1 4.23Å; Q75-I82 HydrophobicContact CG-CG1 3.97Å; Q75-I82 HydrophobicContact CG-CG2 3.79Å
83D92.5Very high91.6Very high89 Ų8991.9 Ų91.948%0.47645%0.445SS..EExtended strand (participates in β ladder)trans-71.7130.9172.3-73.5-60000110.9K72 R137K72-D83 WeakPolarHBondContact CE-OD1 3.33Å; K72-D83 IonicContact NZ-OD1 3.79Å; K72-D83 PolarHBondContact NZ-OD1 3.02Å; K72-D83 IonicContact NZ-OD2 3.43Å; K72-D83 PolarHBondContact NZ-OD2 2.84Å; K72-D83 VanDerWaalsContact NZ-OD2 3.09Å; D83-R137 IonicContact OD2-NH2 3.34Å
84I93.1Very high91.4Very high49 Ų4988.5 Ų88.525%0.25143%0.431SS..  trans-103.3112.5172.7-64.9174.5000108.1V71 K73 L86V71-I84 HydrophobicContact CB-CB 4.29Å; V71-I84 HydrophobicContact CG1-CB 4.17Å; V71-I84 HydrophobicContact CG1-CD1 4.09Å; V71-I84 PolarHBondContact O-N 3.07Å; K73-I84 HydrophobicContact CB-CD1 3.44Å; K73-I84 VanDerWaalsContact CB-CD1 3.44Å; K73-I84 HydrophobicContact CB-CG1 4.17Å; K73-I84 HydrophobicContact CD-CD1 4.47Å; I84-L86 HydrophobicContact CG2-CD2 3.94Å; I84-L86 PolarHBondContact O-N 3.38Å
85N89.7Confident91.1Very high153 Ų15392.4 Ų92.482%0.81845%0.451SS*.  trans-76.3108167.2-66.3-38.4000108.4
86L87.3Confident90.9Very high42 Ų4293.6 Ų93.622%0.2247%0.468CS..  trans-75138.6178.2-60.4175000110.9F69 V71 I84 E90 I91 I94F69-L86 HydrophobicContact CB-CD1 4.43Å; V71-L86 HydrophobicContact CB-CD1 4.45Å; V71-L86 HydrophobicContact CB-CD2 4.2Å; V71-L86 HydrophobicContact CB-CG 4.35Å; V71-L86 HydrophobicContact CG1-CD2 4.44Å; V71-L86 HydrophobicContact CG2-CD1 3.58Å; V71-L86 HydrophobicContact CG2-CD2 4.02Å; V71-L86 HydrophobicContact CG2-CG 4Å; I84-L86 HydrophobicContact CG2-CD2 3.94Å; I84-L86 PolarHBondContact O-N 3.38Å; L86-E90 HydrophobicContact CB-CB 4.36Å; L86-E90 HydrophobicContact CD2-CB 4.1Å; L86-I91 HydrophobicContact CB-CD1 4.26Å; L86-I91 HydrophobicContact CB-CG1 3.72Å; L86-I91 HydrophobicContact CD1-CG1 3.82Å; L86-I91 HydrophobicContact CG-CG1 4.47Å; L86-I94 HydrophobicContact CD1-CD1 3.67Å; L86-I94 HydrophobicContact CD2-CD1 3.9Å; L86-I94 HydrophobicContact CG-CD1 4.46Å
87T90.1Very high91Very high75 Ų7588.5 Ų88.546%0.4645%0.449SS..  trans-77160.3162.956.60000111.1D89 E90 I91T87-D89 PolarHBondContact O-N 3.34Å; T87-E90 PolarHBondContact N-OE2 2.91Å; T87-E90 PolarHBondContact O-N 3.1Å; T87-E90 VanDerWaalsContact OG1-CD 3.3Å; T87-E90 VanDerWaalsContact OG1-CG 3.24Å; T87-E90 WeakPolarHBondContact OG1-CG 3.32Å; T87-E90 PolarHBondContact OG1-N 2.54Å; T87-E90 PolarHBondContact OG1-OE2 3.44Å; T87-I91 WeakPolarHBondContact O-CG1 3.35Å; T87-I91 PolarHBondContact O-N 3.47Å
88D89.1Confident91Very high127 Ų12782.6 Ų82.668%0.67942%0.42SS*.Hα-helixtrans-56.3-40.3177.5-66.7-30.7000111.8E90 I91 E92D88-E90 VanDerWaalsContact C-N 3.33Å; D88-E90 PolarHBondContact O-N 2.82Å; D88-I91 WeakPolarHBondContact O-CB 3.41Å; D88-I91 PolarHBondContact O-N 3.36Å; D88-E92 PolarHBondContact O-N 3.44Å
89D90.9Very high91.1Very high128 Ų12882.4 Ų82.468%0.68442%0.424SS*.Hα-helixtrans-61.9-38.9176-66.4-24.8000112.3T87 R93T87-D89 PolarHBondContact O-N 3.34Å; D89-R93 WeakPolarHBondContact O-CB 3.16Å; D89-R93 PolarHBondContact O-N 2.95Å
90E89.7Confident91.2Very high64 Ų6482.8 Ų82.830%0.29943%0.426SS..Hα-helixtrans-70.9-36.7176.7-73168.9135.300112L86 T87 D88 R93 I94L86-E90 HydrophobicContact CB-CB 4.36Å; L86-E90 HydrophobicContact CD2-CB 4.1Å; T87-E90 PolarHBondContact N-OE2 2.91Å; T87-E90 PolarHBondContact O-N 3.1Å; T87-E90 VanDerWaalsContact OG1-CD 3.3Å; T87-E90 VanDerWaalsContact OG1-CG 3.24Å; T87-E90 WeakPolarHBondContact OG1-CG 3.32Å; T87-E90 PolarHBondContact OG1-N 2.54Å; T87-E90 PolarHBondContact OG1-OE2 3.44Å; D88-E90 VanDerWaalsContact C-N 3.33Å; D88-E90 PolarHBondContact O-N 2.82Å; E90-R93 PolarHBondContact O-N 2.83Å; E90-I94 VanDerWaalsContact O-CG1 3.28Å; E90-I94 WeakPolarHBondContact O-CG1 3.49Å; E90-I94 PolarHBondContact O-N 2.96Å
91I89.3Confident91.1Very high56 Ų5682.7 Ų82.729%0.28743%0.425SS..Hα-helixtrans-61.6-49.4173.1-66.2169.1000109.5L86 T87 D88 R93 I94 I95L86-I91 HydrophobicContact CB-CD1 4.26Å; L86-I91 HydrophobicContact CB-CG1 3.72Å; L86-I91 HydrophobicContact CD1-CG1 3.82Å; L86-I91 HydrophobicContact CG-CG1 4.47Å; T87-I91 WeakPolarHBondContact O-CG1 3.35Å; T87-I91 PolarHBondContact O-N 3.47Å; D88-I91 WeakPolarHBondContact O-CB 3.41Å; D88-I91 PolarHBondContact O-N 3.36Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3.32Å; I91-I94 PolarHBondContact O-N 2.84Å; I91-I95 HydrophobicContact CG2-CD1 3.72Å; I91-I95 HydrophobicContact CG2-CG1 4.42Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.41Å; I91-I95 PolarHBondContact O-N 2.96Å
92E90.2Very high91Very high133 Ų13383.7 Ų83.762%0.62143%0.432SS*.Hα-helixtrans-59.8-41176.3-73.8-168.2174.700111.8D88 I94 I95 S96D88-E92 PolarHBondContact O-N 3.44Å; E92-I94 PolarHBondContact O-N 2.9Å; E92-I95 PolarHBondContact O-N 3.3Å; E92-S96 WeakPolarHBondContact O-CB 3.48Å; E92-S96 PolarHBondContact O-N 2.6Å; E92-S96 PolarHBondContact O-OG 2.98Å
93R90.7Very high90.9Very high165 Ų16588.7 Ų88.762%0.62346%0.456SS*.Hα-helixtrans-61.7-45175.8-170.2177.668.2159.6-1.9111.8D89 E90 I91 S96 N97D89-R93 WeakPolarHBondContact O-CB 3.16Å; D89-R93 PolarHBondContact O-N 2.95Å; E90-R93 PolarHBondContact O-N 2.83Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3.32Å; R93-S96 PolarHBondContact O-N 2.96Å; R93-S96 PolarHBondContact O-OG 3.1Å; R93-N97 PolarHBondContact O-N 3.4Å
94I90.2Very high91.1Very high15 Ų1585.9 Ų85.98%0.07744%0.443CS..Hα-helixtrans-62.7-44.5177-70.3166.1000110.4I7 F69 V71 L86 E90 I91 E92 N97 F98 I101I7-I94 HydrophobicContact CD1-CD1 4.36Å; I7-I94 HydrophobicContact CD1-CG2 3.8Å; F69-I94 HydrophobicContact CD1-CG2 3.92Å; F69-I94 HydrophobicContact CD2-CG2 4.47Å; F69-I94 HydrophobicContact CE1-CG2 3.53Å; F69-I94 HydrophobicContact CE2-CG2 4.13Å; F69-I94 HydrophobicContact CG-CG2 4.38Å; F69-I94 HydrophobicContact CZ-CG2 3.65Å; V71-I94 HydrophobicContact CG2-CD1 4.25Å; L86-I94 HydrophobicContact CD1-CD1 3.67Å; L86-I94 HydrophobicContact CD2-CD1 3.9Å; L86-I94 HydrophobicContact CG-CD1 4.46Å; E90-I94 VanDerWaalsContact O-CG1 3.28Å; E90-I94 WeakPolarHBondContact O-CG1 3.49Å; E90-I94 PolarHBondContact O-N 2.96Å; I91-I94 PolarHBondContact O-N 2.84Å; E92-I94 PolarHBondContact O-N 2.9Å; I94-N97 CarbonylContact O-C 3.48Å; I94-N97 PolarHBondContact O-N 2.86Å; I94-F98 VanDerWaalsContact O-CA 3.31Å; I94-F98 WeakPolarHBondContact O-CA 3.35Å; I94-F98 WeakPolarHBondContact O-CB 3.41Å; I94-F98 PolarHBondContact O-N 3.07Å; I94-I101 HydrophobicContact CB-CD1 4.49Å; I94-I101 HydrophobicContact CG2-CD1 4.1Å
95I90.6Very high91.2Very high96 Ų9684 Ų8449%0.49243%0.434SS..Hα-helixtrans-62.1-46.7179-69168.1000110.7F69 I91 E92 N97 F98F69-I95 HydrophobicContact CE2-CD1 4.41Å; F69-I95 HydrophobicContact CE2-CG1 3.81Å; F69-I95 HydrophobicContact CZ-CG1 4.02Å; I91-I95 HydrophobicContact CG2-CD1 3.72Å; I91-I95 HydrophobicContact CG2-CG1 4.42Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.41Å; I91-I95 PolarHBondContact O-N 2.96Å; E92-I95 PolarHBondContact O-N 3.3Å; I95-N97 VanDerWaalsContact C-N 3.29Å; I95-N97 PolarHBondContact O-N 3.42Å; I95-F98 WeakPolarHBondContact O-CB 3.41Å; I95-F98 PolarHBondContact O-N 3.07Å
96S91.7Very high91.4Very high98 Ų9878.1 Ų78.169%0.68541%0.408SS*.Hα-helixtrans-64.8-33-179.469.90000112.9E92 R93E92-S96 WeakPolarHBondContact O-CB 3.48Å; E92-S96 PolarHBondContact O-N 2.6Å; E92-S96 PolarHBondContact O-OG 2.98Å; R93-S96 PolarHBondContact O-N 2.96Å; R93-S96 PolarHBondContact O-OG 3.1Å
97N92.1Very high91.8Very high60 Ų6081.1 Ų81.132%0.32142%0.421SS..THydrogen-bonded Turntrans-100.715.7178.2-156.532.2000113.9R93 I94 I95 D99 E100 I101R93-N97 PolarHBondContact O-N 3.4Å; I94-N97 CarbonylContact O-C 3.48Å; I94-N97 PolarHBondContact O-N 2.86Å; I95-N97 VanDerWaalsContact C-N 3.29Å; I95-N97 PolarHBondContact O-N 3.42Å; N97-D99 VanDerWaalsContact C-N 3.27Å; N97-D99 PolarHBondContact O-N 2.8Å; N97-E100 PolarHBondContact ND2-OE2 2.99Å; N97-E100 PolarHBondContact O-N 3.12Å; N97-E100 VanDerWaalsContact OD1-CG 3.32Å; N97-E100 WeakPolarHBondContact OD1-CG 3.24Å; N97-E100 PolarHBondContact OD1-OE2 2.99Å; N97-I101 HydrophobicContact CB-CD1 4.42Å; N97-I101 WeakPolarHBondContact O-CG1 3.35Å; N97-I101 PolarHBondContact O-N 2.95Å
98F91.2Very high92.1Very high35 Ų3577.8 Ų77.815%0.15440%0.4CS..Hα-helixtrans-65.1-32.1-169-175.9-107.1000112.7M1 Q5 F69 I94 I95 E100 I101 S102 L105M1-F98 HydrophobicContact CE-CD1 3.65Å; M1-F98 HydrophobicContact CE-CD2 3.51Å; M1-F98 HydrophobicContact CE-CE1 3.45Å; M1-F98 VanDerWaalsContact CE-CE1 3.45Å; M1-F98 HydrophobicContact CE-CE2 3.33Å; M1-F98 HydrophobicContact CE-CG 3.67Å; M1-F98 HydrophobicContact CE-CZ 3.29Å; Q5-F98 HydrophobicContact CG-CE2 3.99Å; Q5-F98 HydrophobicContact CG-CZ 4.13Å; F69-F98 HydrophobicContact CE1-CD2 4.02Å; F69-F98 HydrophobicContact CE1-CE2 4.07Å; F69-F98 HydrophobicContact CZ-CD2 4.48Å; I94-F98 VanDerWaalsContact O-CA 3.31Å; I94-F98 WeakPolarHBondContact O-CA 3.35Å; I94-F98 WeakPolarHBondContact O-CB 3.41Å; I94-F98 PolarHBondContact O-N 3.07Å; I95-F98 WeakPolarHBondContact O-CB 3.41Å; I95-F98 PolarHBondContact O-N 3.07Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 PolarHBondContact O-N 3.15Å; F98-I101 PolarHBondContact O-N 3.33Å; F98-S102 WeakPolarHBondContact O-CB 3.45Å; F98-S102 PolarHBondContact O-N 3.48Å; F98-L105 HydrophobicContact CE2-CD1 3.98Å; F98-L105 HydrophobicContact CZ-CD1 4.37Å
99D90.8Very high92.4Very high135 Ų13571.9 Ų71.972%0.72237%0.369SS*.Hα-helixtrans-60.3-40.6179.5-71-24000111.9N97N97-D99 VanDerWaalsContact C-N 3.27Å; N97-D99 PolarHBondContact O-N 2.8Å
100E92.1Very high92.5Very high128 Ų12869.3 Ų69.360%0.59837%0.366SS*.Hα-helixtrans-70.8-43.1175-63.2-173.8174.100111.7N97 F98 S102 M103N97-E100 PolarHBondContact ND2-OE2 2.99Å; N97-E100 PolarHBondContact O-N 3.12Å; N97-E100 VanDerWaalsContact OD1-CG 3.32Å; N97-E100 WeakPolarHBondContact OD1-CG 3.24Å; N97-E100 PolarHBondContact OD1-OE2 2.99Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 PolarHBondContact O-N 3.15Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 3.2Å; E100-M103 PolarHBondContact O-N 2.89Å
101I91.5Very high92.8Very high25 Ų2572 Ų7213%0.12838%0.378CS..Hα-helixtrans-63-43-179.9-64.3169.6000110.2I7 I94 N97 F98 M103 C104 L105I7-I101 HydrophobicContact CD1-CG2 4.4Å; I94-I101 HydrophobicContact CB-CD1 4.49Å; I94-I101 HydrophobicContact CG2-CD1 4.1Å; N97-I101 HydrophobicContact CB-CD1 4.42Å; N97-I101 WeakPolarHBondContact O-CG1 3.35Å; N97-I101 PolarHBondContact O-N 2.95Å; F98-I101 PolarHBondContact O-N 3.33Å; I101-M103 PolarHBondContact O-N 2.81Å; I101-C104 WeakPolarHBondContact O-CA 3.4Å; I101-C104 WeakPolarHBondContact O-CB 3.41Å; I101-C104 PolarHBondContact O-N 3.1Å; I101-L105 HydrophobicContact CG2-CD1 4.17Å; I101-L105 HydrophobicContact CG2-CD2 4.33Å; I101-L105 HydrophobicContact CG2-CG 4.23Å; I101-L105 PolarHBondContact O-N 2.89Å
102S92.8Very high93Very high21 Ų2171.5 Ų71.515%0.14738%0.376CS..Hα-helixtrans-62.1-23.7-177.3-175.20000113.5K34 F98 E100 C104 L105K34-S102 WeakPolarHBondContact CD-OG 3.45Å; K34-S102 PolarHBondContact NZ-O 3.35Å; K34-S102 PolarHBondContact NZ-OG 3.18Å; K34-S102 VanDerWaalsContact NZ-OG 3.09Å; F98-S102 WeakPolarHBondContact O-CB 3.45Å; F98-S102 PolarHBondContact O-N 3.48Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 3.2Å; S102-C104 PolarHBondContact O-N 3.25Å; S102-L105 PolarHBondContact O-N 3.16Å
103M94.2Very high93.2Very high168 Ų16867.6 Ų67.683%0.82836%0.357SS*.THydrogen-bonded Turntrans-66.9-26171.8-66-172.9173.300112.7E100 I101E100-M103 PolarHBondContact O-N 2.89Å; I101-M103 PolarHBondContact O-N 2.81Å
104C95.2Very high93.4Very high31 Ų3169.6 Ų69.621%0.20937%0.365CS..THydrogen-bonded Turntrans-97.9-1.3179.6-67.60000113.5H29 K31 I101 S102H29-C104 WeakPolarHBondContact O-CB 3.45Å; H29-C104 PolarHBondContact O-SG 3.28Å; H29-C104 VanDerWaalsContact O-SG 3.37Å; K31-C104 HydrophobicContact CB-CB 3.83Å; K31-C104 HydrophobicContact CD-CB 3.73Å; K31-C104 HydrophobicContact CG-CB 3.73Å; K31-C104 PolarHBondContact N-O 3.04Å; I101-C104 WeakPolarHBondContact O-CA 3.4Å; I101-C104 WeakPolarHBondContact O-CB 3.41Å; I101-C104 PolarHBondContact O-N 3.1Å; S102-C104 PolarHBondContact O-N 3.25Å
105L96.1Very high93.6Very high10 Ų1070.9 Ų70.95%0.05237%0.372CS..SBendtrans-95.9128.5178.4-57.8-178.9000110.8K31 G32 K34 F98 I101 S102K31-L105 VanDerWaalsContact C-CD2 3.5Å; K31-L105 HydrophobicContact CB-CD2 4.14Å; K31-L105 VanDerWaalsContact O-CD2 3.3Å; K31-L105 WeakPolarHBondContact O-CD2 3.44Å; G32-L105 CarbonylContact O-C 3.57Å; G32-L105 WeakPolarHBondContact O-CA 3.39Å; K34-L105 HydrophobicContact CB-CB 3.81Å; K34-L105 HydrophobicContact CB-CD1 3.92Å; K34-L105 HydrophobicContact CD-CB 4.14Å; K34-L105 HydrophobicContact CG-CB 3.97Å; F98-L105 HydrophobicContact CE2-CD1 3.98Å; F98-L105 HydrophobicContact CZ-CD1 4.37Å; I101-L105 HydrophobicContact CG2-CD1 4.17Å; I101-L105 HydrophobicContact CG2-CD2 4.33Å; I101-L105 HydrophobicContact CG2-CG 4.23Å; I101-L105 PolarHBondContact O-N 2.89Å; S102-L105 PolarHBondContact O-N 3.16Å
106G94.6Very high93.9Very high28 Ų2866.5 Ų66.529%0.28935%0.349SS..EExtended strand (participates in β ladder)trans-68144.4171.500000111.5G32 I33 K34G32-G106 PolarHBondContact O-N 3.06Å; I33-G106 CarbonylContact C-O 3.5Å; I33-G106 VanDerWaalsContact CA-O 3.26Å; I33-G106 WeakPolarHBondContact CA-O 3.5Å; K34-G106 WeakPolarHBondContact CG-O 3.4Å; K34-G106 PolarHBondContact N-O 3.29Å
107Q95.3Very high94.1Very high105 Ų10565.6 Ų65.649%0.49134%0.336SS..EExtended strand (participates in β ladder)trans-72.9132.5176.9-169.1694400110.4D35D35-Q107 PolarHBondContact OD2-NE2 2.64Å
108Y96.4Very high94.3Very high6 Ų663.7 Ų63.72%0.02433%0.327CS..PPolyproline II helixtrans-58136.1168.8179.3-92.5000111I19 D20 K34 I36 P37 H41 A110 H113I19-Y108 HydrophobicContact CD1-CD2 4.14Å; I19-Y108 HydrophobicContact CD1-CE2 4.18Å; I19-Y108 HydrophobicContact CG1-CE2 4.31Å; I19-Y108 HydrophobicContact CG2-CD2 4.09Å; I19-Y108 HydrophobicContact CG2-CE2 4.21Å; D20-Y108 WeakPolarHBondContact OD2-CE2 3.43Å; D20-Y108 VanDerWaalsContact OD2-CZ 3.29Å; D20-Y108 PolarHBondContact OD2-OH 2.99Å; K34-Y108 VanDerWaalsContact O-CB 3.3Å; K34-Y108 WeakPolarHBondContact O-CB 3.48Å; K34-Y108 PolarHBondContact O-N 2.79Å; I36-Y108 HydrophobicContact CB-CD2 4.43Å; I36-Y108 HydrophobicContact CG1-CD2 4.14Å; I36-Y108 HydrophobicContact CG2-CD2 4.18Å; I36-Y108 HydrophobicContact CG2-CE2 4.39Å; P37-Y108 HydrophobicContact CG-CD1 4.1Å; P37-Y108 HydrophobicContact CG-CE1 3.8Å; H41-Y108 AromaticContact ND1-CE2 3.92Å; Y108-A110 VanDerWaalsContact C-N 3.3Å; Y108-A110 PolarHBondContact O-N 3.01Å; Y108-H113 HydrophobicContact CE1-CB 4.05Å
109P94.4Very high94.6Very high3 Ų362 Ų622%0.01932%0.32CS..  trans-73.279.1-179.231.9-37.9000112.5K22 E111 L112K22-P109 HydrophobicContact CB-CB 4.24Å; K22-P109 HydrophobicContact CB-CG 3.83Å; K22-P109 HydrophobicContact CD-CB 3.51Å; K22-P109 HydrophobicContact CD-CG 3.98Å; P109-E111 VanDerWaalsContact CA-OE2 3.27Å; P109-E111 WeakPolarHBondContact CA-OE2 3.18Å; P109-E111 WeakPolarHBondContact CB-OE1 3.49Å; P109-E111 PolarHBondContact O-N 3.35Å; P109-L112 HydrophobicContact CB-CD1 4.32Å; P109-L112 HydrophobicContact CB-CG 4.42Å; P109-L112 PolarHBondContact O-N 3.23Å
110A94.4Very high95Very high74 Ų7456.2 Ų56.261%0.61229%0.29SS*.G310 helixtrans-56.4-26-179.700000113.3Y108 L112 H113Y108-A110 VanDerWaalsContact C-N 3.3Å; Y108-A110 PolarHBondContact O-N 3.01Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 3.38Å; A110-H113 WeakPolarHBondContact O-CB 3.39Å; A110-H113 PolarHBondContact O-N 2.79Å
111E94.7Very high95.2Very high121 Ų12153.8 Ų53.857%0.56528%0.281SS*.G310 helixtrans-65.3-26.5176.272.5-76.8-173.300113.7K22 P109K22-E111 IonicContact NZ-OE1 2.75Å; K22-E111 PolarHBondContact NZ-OE1 3.11Å; P109-E111 VanDerWaalsContact CA-OE2 3.27Å; P109-E111 WeakPolarHBondContact CA-OE2 3.18Å; P109-E111 WeakPolarHBondContact CB-OE1 3.49Å; P109-E111 PolarHBondContact O-N 3.35Å
112L93.7Very high95.5Very high44 Ų4452.9 Ų52.923%0.2328%0.276CS..G310 helixtrans-99-6179.9-58.6-179.4000113L21 K22 P109 A110 R114 D115 W116L21-L112 HydrophobicContact CB-CB 4.36Å; L21-L112 HydrophobicContact CB-CD1 3.95Å; K22-L112 HydrophobicContact CB-CD1 3.97Å; K22-L112 HydrophobicContact CD-CD1 4.32Å; K22-L112 HydrophobicContact CG-CD1 4.45Å; P109-L112 HydrophobicContact CB-CD1 4.32Å; P109-L112 HydrophobicContact CB-CG 4.42Å; P109-L112 PolarHBondContact O-N 3.23Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 3.38Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.2Å; L112-D115 PolarHBondContact O-N 3.42Å; L112-W116 PolarHBondContact O-N 3.04Å
113H94.6Very high95.7Very high52 Ų5252.4 Ų52.424%0.24127%0.272CS..Hα-helixtrans-58.5-38.2-174.4-176.2-137.1000113.3P37 Y108 A110 D115 W116 I117P37-H113 WeakPolarHBondContact CB-NE2 3.2Å; P37-H113 WeakPolarHBondContact CG-NE2 3.25Å; Y108-H113 HydrophobicContact CE1-CB 4.05Å; A110-H113 WeakPolarHBondContact O-CB 3.39Å; A110-H113 PolarHBondContact O-N 2.79Å; H113-D115 VanDerWaalsContact C-N 3.34Å; H113-W116 WeakPolarHBondContact O-CB 3.28Å; H113-W116 PolarHBondContact O-N 3.43Å; H113-I117 VanDerWaalsContact CE1-CD1 3.43Å; H113-I117 WeakPolarHBondContact CE1-CD1 3.31Å; H113-I117 WeakPolarHBondContact NE2-CD1 3.45Å; H113-I117 WeakPolarHBondContact O-CG1 3.41Å; H113-I117 PolarHBondContact O-N 2.73Å
114R95.5Very high95.8Very high207 Ų20747 Ų4778%0.78125%0.248SC*.Hα-helixtrans-64.8-41.3178-176.1-177.9179.6-172.7-0.2111.6L112 I117 S118L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.2Å; R114-I117 PolarHBondContact O-N 3.45Å; R114-S118 PolarHBondContact O-N 3.23Å; R114-S118 VanDerWaalsContact O-N 3.09Å
115D94.2Very high95.7Very high41 Ų4149.2 Ų49.222%0.21926%0.261CS..Hα-helixtrans-67.8-42.7178.8-67.9-15.5000109.3L21 L112 H113 I117 S118 L119 R305L21-D115 HydrophobicContact CD1-CB 3.66Å; L112-D115 PolarHBondContact O-N 3.42Å; H113-D115 VanDerWaalsContact C-N 3.34Å; D115-I117 PolarHBondContact O-N 3.07Å; D115-S118 PolarHBondContact O-N 3.01Å; D115-S118 VanDerWaalsContact O-N 3.12Å; D115-S118 PolarHBondContact O-OG 3.5Å; D115-L119 WeakPolarHBondContact O-CG 3.12Å; D115-L119 PolarHBondContact O-N 3.39Å; D115-R305 IonicContact OD2-NH1 3.09Å; D115-R305 PolarHBondContact OD2-NH1 3.17Å
116W95.9Very high95.6Very high4 Ų450.8 Ų50.82%0.01527%0.272CS..Hα-helixtrans-53.5-52172.7171.7-115.8000112.5D20 I40 H41 F42 L112 H113 S118 L119 S120 L254 L258D20-W116 HydrophobicContact CB-CB 4.25Å; D20-W116 HydrophobicContact CB-CD2 3.6Å; D20-W116 HydrophobicContact CB-CE3 3.56Å; D20-W116 HydrophobicContact CB-CG 3.9Å; D20-W116 HydrophobicContact CB-CZ3 4.15Å; D20-W116 VanDerWaalsContact OD1-CE2 3.31Å; D20-W116 WeakPolarHBondContact OD1-CZ2 3.49Å; I40-W116 VanDerWaalsContact O-CE2 3.3Å; I40-W116 WeakPolarHBondContact O-CZ2 3.47Å; I40-W116 PolarHBondContact O-NE1 3.3Å; H41-W116 AromaticContact CE1-NE1 3.86Å; H41-W116 AromaticContact ND1-CD1 3.99Å; H41-W116 AromaticContact ND1-NE1 3.59Å; F42-W116 HydrophobicContact CB-CH2 3.9Å; F42-W116 HydrophobicContact CB-CZ3 4.47Å; F42-W116 AromaticContact CD1-CH2 3.63Å; F42-W116 HydrophobicContact CD1-CH2 3.63Å; F42-W116 HydrophobicContact CD1-CZ2 4.11Å; F42-W116 HydrophobicContact CE1-CH2 4.26Å; F42-W116 AromaticContact CG-CH2 3.77Å; F42-W116 HydrophobicContact CG-CH2 3.77Å; L112-W116 PolarHBondContact O-N 3.04Å; H113-W116 WeakPolarHBondContact O-CB 3.28Å; H113-W116 PolarHBondContact O-N 3.43Å; W116-S118 VanDerWaalsContact C-N 3.28Å; W116-S118 PolarHBondContact O-N 3.16Å; W116-L119 PolarHBondContact O-N 2.92Å; W116-L119 VanDerWaalsContact O-N 3.1Å; W116-S120 WeakPolarHBondContact O-CB 3.42Å; W116-S120 PolarHBondContact O-N 2.87Å; W116-S120 VanDerWaalsContact O-N 3.11Å; W116-S120 PolarHBondContact O-OG 3.17Å; W116-L254 HydrophobicContact CE3-CD1 4.47Å; W116-L254 HydrophobicContact CH2-CD1 3.71Å; W116-L254 HydrophobicContact CZ3-CD1 3.55Å; W116-L254 HydrophobicContact CZ3-CD2 3.89Å; W116-L254 HydrophobicContact CZ3-CG 4.32Å; W116-L258 HydrophobicContact CZ3-CD1 4.02Å
117I97.1Very high95.7Very high80 Ų8049.5 Ų49.541%0.4126%0.259SS..Hα-helixtrans-57.9-43.8177.9-69.6166.2000110.3H113 R114 D115 L119 S120 N121H113-I117 VanDerWaalsContact CE1-CD1 3.43Å; H113-I117 WeakPolarHBondContact CE1-CD1 3.31Å; H113-I117 WeakPolarHBondContact NE2-CD1 3.45Å; H113-I117 WeakPolarHBondContact O-CG1 3.41Å; H113-I117 PolarHBondContact O-N 2.73Å; R114-I117 PolarHBondContact O-N 3.45Å; D115-I117 PolarHBondContact O-N 3.07Å; I117-L119 PolarHBondContact O-N 3.47Å; I117-L119 VanDerWaalsContact O-N 3.14Å; I117-S120 PolarHBondContact O-N 3.1Å; I117-S120 VanDerWaalsContact O-N 3.17Å; I117-N121 HydrophobicContact CG2-CB 4.36Å; I117-N121 WeakPolarHBondContact O-CB 3.37Å; I117-N121 PolarHBondContact O-N 3.39Å
118S96.9Very high95.7Very high20 Ų2045.2 Ų45.214%0.1424%0.239CC..Hα-helixtrans-64.1-20.3-178.375.10000114.3R114 D115 W116 N121 Q250R114-S118 PolarHBondContact O-N 3.23Å; R114-S118 VanDerWaalsContact O-N 3.09Å; D115-S118 PolarHBondContact O-N 3.01Å; D115-S118 VanDerWaalsContact O-N 3.12Å; D115-S118 PolarHBondContact O-OG 3.5Å; W116-S118 VanDerWaalsContact C-N 3.28Å; W116-S118 PolarHBondContact O-N 3.16Å; S118-N121 PolarHBondContact O-OD1 3.26Å; S118-Q250 PolarHBondContact O-NE2 3.43Å
119L97Very high95.7Very high0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-98.8-13.1178.6-63.1172.5000113.6L21 D115 W116 I117 Q250 F253 L254 H298 Q299 N302L21-L119 HydrophobicContact CD1-CD1 4.12Å; L21-L119 HydrophobicContact CD2-CD1 3.94Å; D115-L119 WeakPolarHBondContact O-CG 3.12Å; D115-L119 PolarHBondContact O-N 3.39Å; W116-L119 PolarHBondContact O-N 2.92Å; W116-L119 VanDerWaalsContact O-N 3.1Å; I117-L119 PolarHBondContact O-N 3.47Å; I117-L119 VanDerWaalsContact O-N 3.14Å; L119-Q250 VanDerWaalsContact O-CB 3.32Å; L119-Q250 WeakPolarHBondContact O-CB 3.36Å; L119-Q250 VanDerWaalsContact O-CG 3.31Å; L119-Q250 WeakPolarHBondContact O-CG 3.36Å; L119-Q250 PolarHBondContact O-NE2 3.19Å; L119-F253 HydrophobicContact CD1-CE1 4.36Å; L119-F253 HydrophobicContact CD2-CD1 4.45Å; L119-F253 HydrophobicContact CD2-CE1 3.94Å; L119-L254 HydrophobicContact CB-CD2 4.08Å; L119-L254 HydrophobicContact CD1-CD2 4.33Å; L119-H298 HydrophobicContact CD2-CB 4.28Å; L119-Q299 HydrophobicContact CD2-CB 4.45Å; L119-Q299 HydrophobicContact CD2-CG 3.92Å; L119-N302 HydrophobicContact CD1-CB 4.01Å; L119-N302 HydrophobicContact CD2-CB 4.18Å
120S97.7Very high95.7Very high12 Ų1250.4 Ų50.48%0.08427%0.269CS..Hα-helixtrans-127.9-0.2-171.961.20000114.5W116 I117 F122 I123W116-S120 WeakPolarHBondContact O-CB 3.42Å; W116-S120 PolarHBondContact O-N 2.87Å; W116-S120 VanDerWaalsContact O-N 3.11Å; W116-S120 PolarHBondContact O-OG 3.17Å; I117-S120 PolarHBondContact O-N 3.1Å; I117-S120 VanDerWaalsContact O-N 3.17Å; S120-F122 PolarHBondContact O-N 3.34Å; S120-F122 VanDerWaalsContact O-N 3.09Å; S120-I123 WeakPolarHBondContact O-CB 3.28Å; S120-I123 PolarHBondContact O-N 3.28Å
121N97.2Very high95.9Very high78 Ų7846.9 Ų46.942%0.41724%0.24SC..THydrogen-bonded Turntrans-63.6-15.5-172.264.8-54.7000116I117 S118 Q250I117-N121 HydrophobicContact CG2-CB 4.36Å; I117-N121 WeakPolarHBondContact O-CB 3.37Å; I117-N121 PolarHBondContact O-N 3.39Å; S118-N121 PolarHBondContact O-OD1 3.26Å; N121-Q250 PolarHBondContact OD1-NE2 2.9Å
122F98Very high96Very high5 Ų542.1 Ų42.12%0.02222%0.219CC..THydrogen-bonded Turntrans-96.9-11.1171.4-69.4-87.5000113.2S120 T124 R243 L246 G247 D291 V295S120-F122 PolarHBondContact O-N 3.34Å; S120-F122 VanDerWaalsContact O-N 3.09Å; F122-T124 PolarHBondContact O-N 2.93Å; F122-R243 HydrophobicContact CD1-CB 4.2Å; F122-R243 HydrophobicContact CD1-CG 4.25Å; F122-R243 HydrophobicContact CE1-CG 4.17Å; F122-R243 VanDerWaalsContact CE1-NH1 3.28Å; F122-L246 HydrophobicContact CB-CB 4.08Å; F122-L246 HydrophobicContact CD1-CB 3.89Å; F122-L246 HydrophobicContact CD1-CD1 4.06Å; F122-L246 HydrophobicContact CD2-CB 4.27Å; F122-L246 HydrophobicContact CE1-CB 4.41Å; F122-L246 HydrophobicContact CE1-CD1 3.73Å; F122-L246 HydrophobicContact CE2-CD1 4.27Å; F122-L246 HydrophobicContact CG-CB 3.83Å; F122-L246 HydrophobicContact CG-CD1 4.47Å; F122-L246 HydrophobicContact CZ-CD1 3.89Å; F122-G247 VanDerWaalsContact O-CA 3.31Å; F122-G247 WeakPolarHBondContact O-CA 3.42Å; F122-D291 HydrophobicContact CE1-CB 4.15Å; F122-D291 HydrophobicContact CE2-CB 4.32Å; F122-D291 HydrophobicContact CZ-CB 3.55Å; F122-D291 VanDerWaalsContact CZ-CG 3.46Å; F122-D291 WeakPolarHBondContact CZ-OD2 3.36Å; F122-V295 HydrophobicContact CD2-CG2 3.71Å; F122-V295 HydrophobicContact CE2-CG2 3.57Å
123I98Very high96.1Very high11 Ų1140.2 Ų40.26%0.05621%0.209CC..  trans-74.6114.4175.5-54.4179.3000107.9I40 F42 S120 T127 L128 Q250 F251 L254I40-I123 HydrophobicContact CD1-CG2 4.15Å; I40-I123 VanDerWaalsContact CD1-O 3.29Å; I40-I123 WeakPolarHBondContact CD1-O 3.4Å; I40-I123 HydrophobicContact CG2-CG2 4.47Å; F42-I123 HydrophobicContact CZ-CD1 4.33Å; S120-I123 WeakPolarHBondContact O-CB 3.28Å; S120-I123 PolarHBondContact O-N 3.28Å; I123-T127 HydrophobicContact CG2-CG2 4.16Å; I123-L128 HydrophobicContact CG2-CD2 3.73Å; I123-L128 HydrophobicContact CG2-CG 4.06Å; I123-Q250 HydrophobicContact CD1-CB 4.12Å; I123-Q250 HydrophobicContact CG1-CB 3.94Å; I123-F251 HydrophobicContact CD1-CB 4.07Å; I123-F251 HydrophobicContact CG1-CB 4.41Å; I123-L254 HydrophobicContact CD1-CD1 3.72Å
124T94.9Very high96.1Very high55 Ų5545.9 Ų45.934%0.33723%0.23SC..  trans-107.3173.1177.179.80000111.1F122 C126 T127 L128 E244F122-T124 PolarHBondContact O-N 2.93Å; T124-C126 PolarHBondContact O-N 3.49Å; T124-C126 VanDerWaalsContact OG1-CB 3.31Å; T124-C126 WeakPolarHBondContact OG1-CB 3.45Å; T124-C126 PolarHBondContact OG1-N 3.18Å; T124-T127 PolarHBondContact N-OG1 3.32Å; T124-T127 WeakPolarHBondContact O-CB 3.31Å; T124-T127 PolarHBondContact O-N 3.1Å; T124-T127 PolarHBondContact OG1-N 3.07Å; T124-T127 VanDerWaalsContact OG1-N 3.11Å; T124-T127 PolarHBondContact OG1-OG1 3.43Å; T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.02Å; T124-E244 PolarHBondContact OG1-OE1 2.94Å
125T94.2Very high96Very high78 Ų7838.7 Ų38.748%0.47921%0.21SC..Hα-helixtrans-61.8-29.3169.8-52.50000111.8N63 L128 T129N63-T125 PolarHBondContact ND2-OG1 2.82Å; T125-L128 PolarHBondContact O-N 3.36Å; T125-T129 WeakPolarHBondContact O-CB 2.96Å; T125-T129 PolarHBondContact O-N 3.05Å; T125-T129 PolarHBondContact O-OG1 2.7Å
126C92.4Very high96Very high43 Ų4337.9 Ų37.929%0.29121%0.212SC..Hα-helixtrans-67-46172.8-173.60000110.7T124 L128 T129 R130T124-C126 PolarHBondContact O-N 3.49Å; T124-C126 VanDerWaalsContact OG1-CB 3.31Å; T124-C126 WeakPolarHBondContact OG1-CB 3.45Å; T124-C126 PolarHBondContact OG1-N 3.18Å; C126-L128 VanDerWaalsContact C-N 3.32Å; C126-L128 PolarHBondContact O-N 2.96Å; C126-T129 PolarHBondContact O-N 3.42Å; C126-R130 PolarHBondContact O-N 3.06Å
127T96.5Very high96Very high0 Ų038.4 Ų38.40%021%0.214CC..Hα-helixtrans-53.7-49.4173.3-46.30000111.1I123 T124 T129 R130 L131 E244I123-T127 HydrophobicContact CG2-CG2 4.16Å; T124-T127 PolarHBondContact N-OG1 3.32Å; T124-T127 WeakPolarHBondContact O-CB 3.31Å; T124-T127 PolarHBondContact O-N 3.1Å; T124-T127 PolarHBondContact OG1-N 3.07Å; T124-T127 VanDerWaalsContact OG1-N 3.11Å; T124-T127 PolarHBondContact OG1-OG1 3.43Å; T127-T129 PolarHBondContact O-N 3.43Å; T127-R130 PolarHBondContact O-N 2.93Å; T127-L131 HydrophobicContact CG2-CD1 3.57Å; T127-L131 HydrophobicContact CG2-CG 4.28Å; T127-L131 WeakPolarHBondContact O-CB 3.41Å; T127-L131 VanDerWaalsContact O-CG 3.28Å; T127-L131 WeakPolarHBondContact O-CG 3.19Å; T127-L131 PolarHBondContact O-N 3.36Å; T127-E244 WeakPolarHBondContact CA-OE2 3.41Å; T127-E244 WeakPolarHBondContact CB-OE2 3.34Å; T127-E244 PolarHBondContact N-OE1 3.34Å; T127-E244 PolarHBondContact N-OE2 2.9Å; T127-E244 PolarHBondContact OG1-OE1 3.39Å; T127-E244 PolarHBondContact OG1-OE2 3.3Å
128L96.7Very high95.9Very high16 Ų1634.7 Ų34.78%0.08420%0.195CC..Hα-helixtrans-63.3-42.9179.4-63.8179.2000112.7I40 F42 V61 I123 T124 T125 C126 R130 L131 V132 F251I40-L128 HydrophobicContact CD1-CD1 3.62Å; I40-L128 HydrophobicContact CD1-CG 4.17Å; I40-L128 HydrophobicContact CG1-CD1 3.78Å; I40-L128 HydrophobicContact CG2-CD1 3.98Å; F42-L128 HydrophobicContact CE1-CD2 4.34Å; V61-L128 HydrophobicContact CB-CD1 4.38Å; V61-L128 HydrophobicContact CB-CD2 4.44Å; V61-L128 HydrophobicContact CG1-CD1 3.5Å; V61-L128 VanDerWaalsContact CG1-CD1 3.5Å; V61-L128 HydrophobicContact CG1-CD2 3.97Å; V61-L128 HydrophobicContact CG1-CG 4.37Å; V61-L128 HydrophobicContact CG2-CD2 4.08Å; I123-L128 HydrophobicContact CG2-CD2 3.73Å; I123-L128 HydrophobicContact CG2-CG 4.06Å; T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.02Å; T125-L128 PolarHBondContact O-N 3.36Å; C126-L128 VanDerWaalsContact C-N 3.32Å; C126-L128 PolarHBondContact O-N 2.96Å; L128-R130 PolarHBondContact O-N 3.47Å; L128-L131 PolarHBondContact O-N 2.91Å; L128-V132 HydrophobicContact CB-CG2 4.14Å; L128-V132 HydrophobicContact CD2-CG2 3.93Å; L128-V132 VanDerWaalsContact O-CB 3.29Å; L128-V132 WeakPolarHBondContact O-CB 3.46Å; L128-V132 WeakPolarHBondContact O-CG2 3.32Å; L128-V132 PolarHBondContact O-N 2.99Å; L128-F251 HydrophobicContact CD2-CD2 4.17Å; L128-F251 HydrophobicContact CD2-CE2 4.08Å
129T95.3Very high95.8Very high95 Ų9535.4 Ų35.458%0.58320%0.195SC*.Hα-helixtrans-62.5-28.3178.6-57.40000112T125 C126 T127 R186T125-T129 WeakPolarHBondContact O-CB 2.96Å; T125-T129 PolarHBondContact O-N 3.05Å; T125-T129 PolarHBondContact O-OG1 2.7Å; C126-T129 PolarHBondContact O-N 3.42Å; T127-T129 PolarHBondContact O-N 3.43Å; T129-R186 PolarHBondContact O-NH2 3.39Å
130R95.6Very high95.5Very high23 Ų2336.6 Ų36.69%0.08720%0.203CC..Hα-helixtrans-82.6-43.2177.3-173.7162.656.989.83.1112.7C126 T127 L128 R186 T188 S226 E244 E248C126-R130 PolarHBondContact O-N 3.06Å; T127-R130 PolarHBondContact O-N 2.93Å; L128-R130 PolarHBondContact O-N 3.47Å; R130-R186 VanDerWaalsContact O-CB 3.27Å; R130-R186 WeakPolarHBondContact O-CB 3.44Å; R130-R186 PolarHBondContact O-NH1 3.25Å; R130-R186 PolarHBondContact O-NH2 2.9Å; R130-T188 PolarHBondContact NH1-OG1 3.11Å; R130-S226 WeakPolarHBondContact CD-OG 3.36Å; R130-E244 IonicContact CZ-OE2 3.56Å; R130-E244 IonicContact NE-OE2 3.74Å; R130-E244 PolarHBondContact NH2-O 2.71Å; R130-E244 IonicContact NH2-OE2 3.61Å; R130-E244 PolarHBondContact NH2-OE2 2.61Å; R130-E244 VanDerWaalsContact NH2-OE2 3.08Å; R130-E248 IonicContact CZ-OE2 3.9Å; R130-E248 IonicContact NH1-OE2 3.83Å; R130-E248 PolarHBondContact NH1-OE2 3.28Å; R130-E248 IonicContact NH2-OE2 3.08Å
131L97.3Very high95.1Very high0 Ų039.1 Ų39.10%022%0.22CC..Hα-helixtrans-98.1-36.1-166.7-56.8-178.5000114.6T127 L128 R186 F187 E248 F251T127-L131 HydrophobicContact CG2-CD1 3.57Å; T127-L131 HydrophobicContact CG2-CG 4.28Å; T127-L131 WeakPolarHBondContact O-CB 3.41Å; T127-L131 VanDerWaalsContact O-CG 3.28Å; T127-L131 WeakPolarHBondContact O-CG 3.19Å; T127-L131 PolarHBondContact O-N 3.36Å; L128-L131 PolarHBondContact O-N 2.91Å; L131-R186 WeakPolarHBondContact CD2-O 3.34Å; L131-R186 PolarHBondContact O-N 2.88Å; L131-F187 HydrophobicContact CD2-CD1 4.25Å; L131-E248 HydrophobicContact CD1-CB 3.86Å; L131-E248 HydrophobicContact CD1-CG 3.76Å; L131-E248 HydrophobicContact CD2-CG 3.95Å; L131-F251 HydrophobicContact CB-CD1 4.29Å; L131-F251 HydrophobicContact CB-CE1 4.13Å; L131-F251 HydrophobicContact CB-CE2 4.45Å; L131-F251 HydrophobicContact CB-CZ 4.21Å; L131-F251 HydrophobicContact CD1-CB 3.79Å; L131-F251 HydrophobicContact CD1-CD1 3.79Å; L131-F251 HydrophobicContact CD1-CD2 4.24Å; L131-F251 HydrophobicContact CD1-CE1 4.45Å; L131-F251 HydrophobicContact CD1-CG 3.67Å
132V96.9Very high94.4Very high20 Ų2036.9 Ų36.912%0.12121%0.21CC..SBendtrans-66.4137.4-1751770000109.5V61 L128 R186 F251V61-V132 HydrophobicContact CG2-CG2 4.14Å; L128-V132 HydrophobicContact CB-CG2 4.14Å; L128-V132 HydrophobicContact CD2-CG2 3.93Å; L128-V132 VanDerWaalsContact O-CB 3.29Å; L128-V132 WeakPolarHBondContact O-CB 3.46Å; L128-V132 WeakPolarHBondContact O-CG2 3.32Å; L128-V132 PolarHBondContact O-N 2.99Å; V132-R186 PolarHBondContact O-NE 3.46Å; V132-R186 VanDerWaalsContact O-NE 3.16Å; V132-R186 PolarHBondContact O-NH2 3.27Å; V132-F251 HydrophobicContact CG2-CE2 4.01Å; V132-F251 HydrophobicContact CG2-CZ 4.29Å
133P96.4Very high93.8Very high4 Ų439.3 Ų39.33%0.02622%0.221CC..  trans-57.2152.2175.5-26.636.7000112.1C135 G136 R137 L138 G182 T183 E184 V185P133-C135 PolarHBondContact O-N 3.08Å; P133-G136 WeakPolarHBondContact O-CA 3.39Å; P133-G136 PolarHBondContact O-N 3.25Å; P133-R137 WeakPolarHBondContact CG-O 3.35Å; P133-L138 VanDerWaalsContact CD-CD2 3.47Å; P133-L138 HydrophobicContact CG-CD2 4.22Å; P133-G182 VanDerWaalsContact CB-O 3.31Å; P133-G182 WeakPolarHBondContact CB-O 3.27Å; P133-T183 WeakPolarHBondContact CG-O 3.49Å; P133-E184 WeakPolarHBondContact CB-O 3.44Å; P133-E184 WeakPolarHBondContact CG-O 3.16Å; P133-V185 HydrophobicContact CG-CG2 4.2Å
134Y94.8Very high93.3Very high171 Ų17143.7 Ų43.767%0.67124%0.24SC*.THydrogen-bonded Turntrans-65.1-25.3-178.2-67.5-57000113.6G136 G182 R186Y134-G136 PolarHBondContact O-N 2.87Å; Y134-G182 PolarHBondContact N-O 3.44Å; Y134-R186 PolarHBondContact OH-NH1 3.07Å; Y134-R186 VanDerWaalsContact OH-NH1 3.16Å
135C93.3Very high92.8Very high56 Ų5645.3 Ų45.338%0.37825%0.246SC..THydrogen-bonded Turntrans-69.9-10.2170.9670000113.3P133 R137 G182P133-C135 PolarHBondContact O-N 3.08Å; C135-R137 VanDerWaalsContact C-N 3.25Å; C135-R137 PolarHBondContact O-N 3.46Å; C135-R137 PolarHBondContact SG-N 3.45Å; C135-G182 PolarHBondContact N-O 2.99Å; C135-G182 PolarHBondContact SG-O 3.49Å; C135-G182 VanDerWaalsContact SG-O 3.37Å
136G94.3Very high92.2Very high25 Ų2545.6 Ų45.626%0.25825%0.252SS..SBendtrans71.218.3-178.200000113.8F60 P133 Y134F60-G136 WeakPolarHBondContact CB-O 3.41Å; P133-G136 WeakPolarHBondContact O-CA 3.39Å; P133-G136 PolarHBondContact O-N 3.25Å; Y134-G136 PolarHBondContact O-N 2.87Å
137R94.8Very high91.5Very high15 Ų1548.7 Ų48.76%0.05726%0.26CS..  trans-118.8142.1177.6-62.6-66.9173.2-83.7-6.5110.9V58 G59 D80 F81 D83 P133 C135 Y139V58-R137 HydrophobicContact CG1-CB 4.09Å; V58-R137 HydrophobicContact CG1-CG 4.32Å; G59-R137 CarbonylContact O-C 3.46Å; G59-R137 VanDerWaalsContact O-CA 3.26Å; G59-R137 WeakPolarHBondContact O-CA 3.34Å; D80-R137 IonicContact OD1-NE 3.56Å; D80-R137 PolarHBondContact OD1-NE 2.92Å; D80-R137 IonicContact OD2-NE 3.74Å; D80-R137 PolarHBondContact OD2-NE 3.38Å; D80-R137 VanDerWaalsContact OD2-NE 3.14Å; F81-R137 PolarHBondContact O-NH2 3.04Å; D83-R137 IonicContact OD2-NH2 3.34Å; P133-R137 WeakPolarHBondContact CG-O 3.35Å; C135-R137 VanDerWaalsContact C-N 3.25Å; C135-R137 PolarHBondContact O-N 3.46Å; C135-R137 PolarHBondContact SG-N 3.45Å; R137-Y139 HydrophobicContact CB-CD2 4.32Å; R137-Y139 HydrophobicContact CB-CE1 4.21Å; R137-Y139 HydrophobicContact CB-CE2 3.66Å
138L95.8Very high90.2Very high1 Ų154.8 Ų54.81%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-10999.6175.3-63.4172.8000107.7F42 V58 G59 V61 P133 V185 F251 N259F42-L138 HydrophobicContact CE2-CD1 4.29Å; V58-L138 CarbonylContact C-O 3.48Å; V58-L138 WeakPolarHBondContact CA-O 2.96Å; G59-L138 PolarHBondContact N-O 2.81Å; G59-L138 PolarHBondContact O-N 3.47Å; V61-L138 HydrophobicContact CG2-CD1 4.05Å; P133-L138 VanDerWaalsContact CD-CD2 3.47Å; P133-L138 HydrophobicContact CG-CD2 4.22Å; L138-V185 HydrophobicContact CD2-CG2 4.22Å; L138-F251 HydrophobicContact CD1-CE2 4.4Å; L138-F251 HydrophobicContact CD1-CZ 4.14Å; L138-F251 HydrophobicContact CD2-CZ 3.76Å; L138-N259 WeakPolarHBondContact CD1-ND2 3.31Å
139Y93.9Very high89.1Confident36 Ų3656.7 Ų56.714%0.14131%0.314CS..EExtended strand (participates in β ladder)trans-84.6146.6179.5-61.6-74.9000111V58 R137 C141 H143 T183V58-Y139 HydrophobicContact CB-CD1 4.36Å; V58-Y139 HydrophobicContact CB-CE1 4.44Å; V58-Y139 HydrophobicContact CG1-CD1 3.86Å; V58-Y139 HydrophobicContact CG1-CE1 3.66Å; V58-Y139 HydrophobicContact CG2-CD1 3.8Å; V58-Y139 HydrophobicContact CG2-CE1 3.93Å; R137-Y139 HydrophobicContact CB-CD2 4.32Å; R137-Y139 HydrophobicContact CB-CE1 4.21Å; R137-Y139 HydrophobicContact CB-CE2 3.66Å; Y139-C141 WeakPolarHBondContact CB-O 3.47Å; Y139-C141 PolarHBondContact O-N 3.19Å; Y139-H143 AromaticContact CD1-CE1 3.67Å; Y139-H143 AromaticContact CD1-NE2 3.63Å; Y139-H143 AromaticContact CE1-CE1 3.53Å; Y139-H143 AromaticContact CE1-NE2 3.98Å; Y139-H143 AromaticContact CG-NE2 3.96Å; Y139-H143 AromaticContact CZ-CE1 3.87Å; Y139-T183 HydrophobicContact CE2-CG2 4.22Å
140S92Very high88.2Confident25 Ų2555.8 Ų55.818%0.17531%0.306CS..SBendtrans-65.4-27.8173.471.40000113Q56 R57 N259 S261Q56-S140 WeakPolarHBondContact CG-OG 3.49Å; Q56-S140 PolarHBondContact NE2-OG 3.46Å; R57-S140 PolarHBondContact O-N 3.02Å; S140-N259 WeakPolarHBondContact CA-O 3.27Å; S140-N259 WeakPolarHBondContact CB-O 3.36Å; S140-S261 WeakPolarHBondContact O-CA 3.37Å
141C87.7Confident87.3Confident64 Ų6459 Ų5943%0.43233%0.328SS..SBendtrans-142.3147.517468.30000110.4Q56 Y139Q56-C141 PolarHBondContact NE2-O 3.13Å; Q56-C141 VanDerWaalsContact NE2-O 3.12Å; Q56-C141 PolarHBondContact NE2-SG 3.23Å; Y139-C141 WeakPolarHBondContact CB-O 3.47Å; Y139-C141 PolarHBondContact O-N 3.19Å
142P84.1Confident86.2Confident32 Ų3265.7 Ų65.721%0.20836%0.359CS..  trans-62.7139.6179.823.2-33000111.1F144 I179P142-F144 HydrophobicContact CB-CE1 4.46Å; P142-F144 HydrophobicContact CB-CE2 4.24Å; P142-F144 HydrophobicContact CB-CZ 4.02Å; P142-F144 HydrophobicContact CG-CE1 4.36Å; P142-F144 HydrophobicContact CG-CE2 3.75Å; P142-F144 HydrophobicContact CG-CZ 3.51Å; P142-F144 WeakPolarHBondContact O-CD2 3.29Å; P142-F144 WeakPolarHBondContact O-CE2 3.32Å; P142-I179 HydrophobicContact CB-CD1 4.11Å; P142-I179 HydrophobicContact CB-CG1 4.06Å; P142-I179 HydrophobicContact CB-CG2 4.14Å
143H85.5Confident85.1Confident55 Ų5569 Ų6926%0.25537%0.374SS..  trans-85.7134.4171.6-65.8-179000109Q56 Y139 I179 I180Q56-H143 PolarHBondContact OE1-NE2 3.07Å; Y139-H143 AromaticContact CD1-CE1 3.67Å; Y139-H143 AromaticContact CD1-NE2 3.63Å; Y139-H143 AromaticContact CE1-CE1 3.53Å; Y139-H143 AromaticContact CE1-NE2 3.98Å; Y139-H143 AromaticContact CG-NE2 3.96Å; Y139-H143 AromaticContact CZ-CE1 3.87Å; H143-I179 CarbonylContact O-C 3.55Å; H143-I179 WeakPolarHBondContact O-CA 3.42Å; H143-I180 HydrophobicContact CB-CB 4.46Å; H143-I180 HydrophobicContact CB-CD1 3.44Å; H143-I180 VanDerWaalsContact CB-CD1 3.44Å; H143-I180 HydrophobicContact CB-CG1 4Å; H143-I180 PolarHBondContact O-N 2.87Å
144F87Confident84Confident103 Ų10375.9 Ų75.945%0.45240%0.399SS..EExtended strand (participates in β ladder)trans-112.4136.1-175.5-65.4-78.1000112.1P142 L177 S178 I179P142-F144 HydrophobicContact CB-CE1 4.46Å; P142-F144 HydrophobicContact CB-CE2 4.24Å; P142-F144 HydrophobicContact CB-CZ 4.02Å; P142-F144 HydrophobicContact CG-CE1 4.36Å; P142-F144 HydrophobicContact CG-CE2 3.75Å; P142-F144 HydrophobicContact CG-CZ 3.51Å; P142-F144 WeakPolarHBondContact O-CD2 3.29Å; P142-F144 WeakPolarHBondContact O-CE2 3.32Å; F144-L177 HydrophobicContact CB-CB 4.02Å; F144-L177 HydrophobicContact CB-CD1 4.34Å; F144-L177 HydrophobicContact CB-CD2 4.29Å; F144-L177 HydrophobicContact CB-CG 4.44Å; F144-L177 HydrophobicContact CD1-CB 3.81Å; F144-L177 HydrophobicContact CG-CB 4.03Å; F144-L177 HydrophobicContact CG-CD1 4.3Å; F144-S178 CarbonylContact C-O 3.53Å; F144-S178 WeakPolarHBondContact CA-O 3.45Å; F144-I179 HydrophobicContact CD1-CG1 4.02Å; F144-I179 HydrophobicContact CE1-CG1 3.61Å; F144-I179 HydrophobicContact CZ-CG1 4.44Å
145L84.2Confident82.8Confident89 Ų8972.1 Ų72.147%0.46639%0.39SS..EExtended strand (participates in β ladder)trans-86.4122.1160-61.4176.5000108.6K147 S178 I180L145-K147 PolarHBondContact O-N 3.01Å; L145-S178 PolarHBondContact N-O 3.42Å; L145-S178 PolarHBondContact O-N 3.36Å; L145-I180 HydrophobicContact CD1-CG1 4.38Å; L145-I180 HydrophobicContact CD2-CD1 4.23Å; L145-I180 HydrophobicContact CD2-CG1 3.75Å; L145-I180 HydrophobicContact CG-CB 4.47Å; L145-I180 HydrophobicContact CG-CG1 3.64Å
146S82.3Confident81.8Confident85 Ų8571.9 Ų71.959%0.59439%0.392SS*.EExtended strand (participates in β ladder)trans-71.9123.4165.563.70000109.2P148S146-P148 WeakPolarHBondContact O-CD 3.37Å
147K77.4Confident80.5Confident108 Ų10874.1 Ų74.147%0.4740%0.398SS..PPolyproline II helixtrans-69.1123.3168.9-68.9-177.2-173.7150.70107.8L145 S149 N176L145-K147 PolarHBondContact O-N 3.01Å; K147-S149 PolarHBondContact O-N 3.39Å; K147-N176 HydrophobicContact CB-CB 4.31Å; K147-N176 HydrophobicContact CD-CB 4.14Å; K147-N176 WeakPolarHBondContact CD-OD1 3.42Å; K147-N176 WeakPolarHBondContact CE-OD1 3.48Å; K147-N176 PolarHBondContact N-O 3.37Å; K147-N176 PolarHBondContact NZ-OD1 3.03Å
148P69.1Low79.1Confident128 Ų12880.5 Ų80.583%0.83143%0.426SS*.PPolyproline II helixtrans-60.112917923.1-31.2000108.9S146S146-P148 WeakPolarHBondContact O-CD 3.37Å
149S72.8Confident77.5Confident55 Ų5583.9 Ų83.939%0.38545%0.45SS..  trans-126.1134.6172.5-178.90000110.2K147 E153K147-S149 PolarHBondContact O-N 3.39Å; S149-E153 WeakPolarHBondContact CA-OE2 3.35Å; S149-E153 PolarHBondContact OG-OE2 3.5Å
150N76.1Confident75.8Confident77 Ų7784.9 Ų84.941%0.41246%0.462SS..  trans-86.8163.7177.464.253.6000111.6Q152 E153 R154N150-Q152 PolarHBondContact O-N 3.05Å; N150-Q152 WeakPolarHBondContact OD1-CA 3.34Å; N150-Q152 WeakPolarHBondContact OD1-CB 3.45Å; N150-Q152 PolarHBondContact OD1-N 3.39Å; N150-Q152 VanDerWaalsContact OD1-N 3.1Å; N150-E153 VanDerWaalsContact CG-CD 3.49Å; N150-E153 PolarHBondContact N-OE2 2.69Å; N150-E153 PolarHBondContact ND2-OE1 3.14Å; N150-E153 PolarHBondContact O-N 3.3Å; N150-E153 WeakPolarHBondContact OD1-CG 3.25Å; N150-E153 PolarHBondContact OD1-N 3.48Å; N150-R154 PolarHBondContact O-N 3.26Å
151T76.5Confident74Confident91 Ų9185.8 Ų85.856%0.55846%0.464SS*.Hα-helixtrans-58.9-33.1179.7-52.60000111.8R154 L155T151-R154 PolarHBondContact O-N 2.91Å; T151-L155 HydrophobicContact CG2-CD1 3.93Å; T151-L155 HydrophobicContact CG2-CG 4.26Å; T151-L155 WeakPolarHBondContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CG 3.4Å; T151-L155 PolarHBondContact O-N 3.09Å
152Q75.1Confident72.5Confident139 Ų13988.2 Ų88.265%0.6548%0.477SS*.Hα-helixtrans-70.2-41.6-178.1-164.968.45.800112.1N150 L155 A156N150-Q152 PolarHBondContact O-N 3.05Å; N150-Q152 WeakPolarHBondContact OD1-CA 3.34Å; N150-Q152 WeakPolarHBondContact OD1-CB 3.45Å; N150-Q152 PolarHBondContact OD1-N 3.39Å; N150-Q152 VanDerWaalsContact OD1-N 3.1Å; Q152-L155 PolarHBondContact O-N 3.14Å; Q152-A156 VanDerWaalsContact O-CB 3.28Å; Q152-A156 WeakPolarHBondContact O-CB 3.45Å; Q152-A156 PolarHBondContact O-N 2.94Å
153E74Confident71.1Confident91 Ų9191.3 Ų91.343%0.42550%0.495SS..Hα-helixtrans-61-46.7173.2-74.2159.5-16700111.2S149 N150 L155 A156 L157S149-E153 WeakPolarHBondContact CA-OE2 3.35Å; S149-E153 PolarHBondContact OG-OE2 3.5Å; N150-E153 VanDerWaalsContact CG-CD 3.49Å; N150-E153 PolarHBondContact N-OE2 2.69Å; N150-E153 PolarHBondContact ND2-OE1 3.14Å; N150-E153 PolarHBondContact O-N 3.3Å; N150-E153 WeakPolarHBondContact OD1-CG 3.25Å; N150-E153 PolarHBondContact OD1-N 3.48Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.96Å; E153-A156 PolarHBondContact O-N 3.3Å; E153-L157 PolarHBondContact O-N 2.96Å
154R72.5Confident69.6Low148 Ų14895.2 Ų95.256%0.55852%0.518SS*.Hα-helixtrans-64.3-37.1176.6-70.8-174-75.4158-4.5112.6N150 T151 K158N150-R154 PolarHBondContact O-N 3.26Å; T151-R154 PolarHBondContact O-N 2.91Å; R154-K158 PolarHBondContact O-N 3.31Å; R154-K158 VanDerWaalsContact O-N 3.11Å
155L71Confident67.9Low91 Ų9196.4 Ų96.448%0.47654%0.537SS..Hα-helixtrans-70.1-36.9174.2-75.6172.8000112.2T151 Q152 E153 K158 S159T151-L155 HydrophobicContact CG2-CD1 3.93Å; T151-L155 HydrophobicContact CG2-CG 4.26Å; T151-L155 WeakPolarHBondContact O-CB 3.26Å; T151-L155 WeakPolarHBondContact O-CG 3.4Å; T151-L155 PolarHBondContact O-N 3.09Å; Q152-L155 PolarHBondContact O-N 3.14Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.96Å; L155-K158 PolarHBondContact O-N 3.07Å; L155-S159 PolarHBondContact O-N 3.01Å; L155-S159 PolarHBondContact O-OG 3.3Å
156A71.7Confident66.6Low52 Ų5297 Ų9743%0.4355%0.549SS..Hα-helixtrans-66.4-38.8176.800000111.8Q152 E153 S159 S160Q152-A156 VanDerWaalsContact O-CB 3.28Å; Q152-A156 WeakPolarHBondContact O-CB 3.45Å; Q152-A156 PolarHBondContact O-N 2.94Å; E153-A156 PolarHBondContact O-N 3.3Å; A156-S159 PolarHBondContact O-OG 3.24Å; A156-S159 VanDerWaalsContact O-OG 3.09Å; A156-S160 WeakPolarHBondContact O-CB 3.27Å; A156-S160 PolarHBondContact O-N 3.11Å
157L67.6Low65.2Low71 Ų71100.3 Ų100.337%0.37256%0.56SS.*Hα-helixtrans-57.3-56.1167.9-77.7159.6000109.2E153 S159 S160 H161E153-L157 PolarHBondContact O-N 2.96Å; L157-S159 VanDerWaalsContact C-N 3.33Å; L157-S159 PolarHBondContact O-N 3.24Å; L157-S160 WeakPolarHBondContact O-CB 3.47Å; L157-S160 PolarHBondContact O-N 2.85Å; L157-S160 PolarHBondContact O-OG 3.1Å; L157-H161 PolarHBondContact O-CD2 3.22Å; L157-H161 PolarHBondContact O-N 2.86Å
158K65.1Low64.3Low149 Ų14999.7 Ų99.765%0.64856%0.557SS**Hα-helixtrans-57-39.2-178.2-163.3174.1-176176.50114.2R154 L155 H161R154-K158 PolarHBondContact O-N 3.31Å; R154-K158 VanDerWaalsContact O-N 3.11Å; L155-K158 PolarHBondContact O-N 3.07Å; K158-H161 PolarHBondContact O-N 3.13Å
159S62.3Low64.1Low72 Ų7299 Ų9950%0.50355%0.546SS..Hα-helixtrans-73.6-31.1177.963.30000112.6L155 A156 L157 H161 T162L155-S159 PolarHBondContact O-N 3.01Å; L155-S159 PolarHBondContact O-OG 3.3Å; A156-S159 PolarHBondContact O-OG 3.24Å; A156-S159 VanDerWaalsContact O-OG 3.09Å; L157-S159 VanDerWaalsContact C-N 3.33Å; L157-S159 PolarHBondContact O-N 3.24Å; S159-H161 PolarHBondContact O-N 3.18Å; S159-T162 PolarHBondContact O-N 2.85Å; S159-T162 PolarHBondContact O-OG1 2.97Å
160S58.2Low64Low58 Ų58100.9 Ų100.941%0.40656%0.56SS.*Hα-helixtrans-66.9-18171800000113A156 L157 K168A156-S160 WeakPolarHBondContact O-CB 3.27Å; A156-S160 PolarHBondContact O-N 3.11Å; L157-S160 WeakPolarHBondContact O-CB 3.47Å; L157-S160 PolarHBondContact O-N 2.85Å; L157-S160 PolarHBondContact O-OG 3.1Å; S160-K168 PolarHBondContact O-NZ 2.97Å
161H54Low63.8Low44 Ų44103.8 Ų103.820%0.20457%0.571CS.*THydrogen-bonded Turntrans-89.9-6.3178.6-66.1-71.7000114.7L157 K158 S159 T163 K168 L173L157-H161 PolarHBondContact O-CD2 3.22Å; L157-H161 PolarHBondContact O-N 2.86Å; K158-H161 PolarHBondContact O-N 3.13Å; S159-H161 PolarHBondContact O-N 3.18Å; H161-T163 VanDerWaalsContact C-N 3.26Å; H161-T163 PolarHBondContact O-N 3.36Å; H161-K168 WeakPolarHBondContact ND1-CD 3.48Å; H161-L173 WeakPolarHBondContact NE2-CD2 3.44Å
162T56.2Low63.5Low115 Ų115104 Ų10471%0.70657%0.569SS**SBendtrans-78.3-7.8-179.3580000114.3S159S159-T162 PolarHBondContact O-N 2.85Å; S159-T162 PolarHBondContact O-OG1 2.97Å
163T53.7Low63.4Low97 Ų97102.6 Ų102.660%0.59557%0.565SS**SBendtrans-114.2115.1175.527.80000110H161 K168H161-T163 VanDerWaalsContact C-N 3.26Å; H161-T163 PolarHBondContact O-N 3.36Å; T163-K168 PolarHBondContact O-NZ 3.44Å; T163-K168 VanDerWaalsContact O-NZ 3.08Å
164D55.6Low63.5Low137 Ų137103.8 Ų103.873%0.73357%0.574SS**  trans57.4107.6175.2-67.2-25.3000117.9S166D164-S166 PolarHBondContact O-N 3.16Å
165C51.6Low63.7Low127 Ų127101.4 Ų101.486%0.85858%0.578SS**  trans-81.69.6-174.9-68.70000115.7
166S55.6Low64.1Low103 Ų103101.6 Ų101.672%0.7258%0.579SS**SBendtrans-86.1-14.2-166.950.30000116.2D164D164-S166 PolarHBondContact O-N 3.16Å
167N54.1Low64.8Low154 Ų154103.5 Ų103.582%0.82458%0.582SS**SBendtrans-149.326.1-171.7-92.2-12000116.1
168K57.2Low65.8Low95 Ų95102 Ų10241%0.41358%0.577SS.*  trans-109.1117.6-179.5-65.9178.5-176.7156.50110.5S160 H161 T163 S170S160-K168 PolarHBondContact O-NZ 2.97Å; H161-K168 WeakPolarHBondContact ND1-CD 3.48Å; T163-K168 PolarHBondContact O-NZ 3.44Å; T163-K168 VanDerWaalsContact O-NZ 3.08Å; K168-S170 PolarHBondContact O-N 3.38Å
169N65.9Low67Low112 Ų11297.7 Ų97.760%0.59956%0.56SS**  trans-63.2126.7-179-80-13000109.8E171 D172N169-E171 PolarHBondContact O-N 2.84Å; N169-E171 VanDerWaalsContact O-N 3.07Å; N169-D172 PolarHBondContact O-N 3.5Å; N169-D172 VanDerWaalsContact O-N 3.12Å
170S70.5Confident68.4Low96 Ų9696.8 Ų96.867%0.67155%0.549SS*.G310 helixtrans-58.8-21177.744.60000113.3K168 D172 L173K168-S170 PolarHBondContact O-N 3.38Å; S170-D172 VanDerWaalsContact C-N 3.28Å; S170-D172 PolarHBondContact O-N 3.15Å; S170-L173 PolarHBondContact O-N 3.05Å
171E72Confident70Confident137 Ų13799 Ų9964%0.6456%0.562SS**G310 helixtrans-65.7-25.8177.5-62.3-175.1170.700113.4N169 L173 L174N169-E171 PolarHBondContact O-N 2.84Å; N169-E171 VanDerWaalsContact O-N 3.07Å; E171-L173 PolarHBondContact O-N 3.27Å; E171-L174 HydrophobicContact CB-CD1 4.42Å; E171-L174 HydrophobicContact CG-CD1 4.46Å; E171-L174 WeakPolarHBondContact O-CB 3.49Å; E171-L174 PolarHBondContact O-N 3.17Å
172D70.6Confident71.8Confident97 Ų9797.4 Ų97.452%0.51956%0.558SS.*G310 helixtrans-64.2-15.9177.7-68.2-26.7000112.7N169 S170N169-D172 PolarHBondContact O-N 3.5Å; N169-D172 VanDerWaalsContact O-N 3.12Å; S170-D172 VanDerWaalsContact C-N 3.28Å; S170-D172 PolarHBondContact O-N 3.15Å
173L71.7Confident73.6Confident108 Ų10892.7 Ų92.757%0.56553%0.529SS*.G310 helixtrans-89.4-9.8176.3-61.8175.3000113.2H161 S170 E171H161-L173 WeakPolarHBondContact NE2-CD2 3.44Å; S170-L173 PolarHBondContact O-N 3.05Å; E171-L173 PolarHBondContact O-N 3.27Å
174L76.6Confident75.5Confident117 Ų11790.8 Ų90.861%0.61351%0.513SS*.SBendtrans-78.6151.5179-62.1175.8000110.8E171 N176E171-L174 HydrophobicContact CB-CD1 4.42Å; E171-L174 HydrophobicContact CG-CD1 4.46Å; E171-L174 WeakPolarHBondContact O-CB 3.49Å; E171-L174 PolarHBondContact O-N 3.17Å; L174-N176 PolarHBondContact O-N 3Å
175P77.4Confident77.4Confident98 Ų9885 Ų8564%0.63648%0.483SS*.  trans-54.8130.6171.5-23.233.6000110.7L177P175-L177 HydrophobicContact CB-CD2 4.47Å; P175-L177 PolarHBondContact O-N 3.19Å
176N79.5Confident79.5Confident95 Ų9581.9 Ų81.951%0.50845%0.453SS..  trans-72.3104.1176.6-166.2-51.3000108.8K147 L174K147-N176 HydrophobicContact CB-CB 4.31Å; K147-N176 HydrophobicContact CD-CB 4.14Å; K147-N176 WeakPolarHBondContact CD-OD1 3.42Å; K147-N176 WeakPolarHBondContact CE-OD1 3.48Å; K147-N176 PolarHBondContact N-O 3.37Å; K147-N176 PolarHBondContact NZ-OD1 3.03Å; L174-N176 PolarHBondContact O-N 3Å
177L85.5Confident81.5Confident92 Ų9278.5 Ų78.548%0.48243%0.426SS..EExtended strand (participates in β ladder)trans-96.9126.6176.5-62.3-176.4000108.5F144 P175F144-L177 HydrophobicContact CB-CB 4.02Å; F144-L177 HydrophobicContact CB-CD1 4.34Å; F144-L177 HydrophobicContact CB-CD2 4.29Å; F144-L177 HydrophobicContact CB-CG 4.44Å; F144-L177 HydrophobicContact CD1-CB 3.81Å; F144-L177 HydrophobicContact CG-CB 4.03Å; F144-L177 HydrophobicContact CG-CD1 4.3Å; P175-L177 HydrophobicContact CB-CD2 4.47Å; P175-L177 PolarHBondContact O-N 3.19Å
178S88.2Confident83.5Confident38 Ų3871.8 Ų71.827%0.26639%0.39SS..EExtended strand (participates in β ladder)trans-116.4138.5168.752.40000109F144 L145F144-S178 CarbonylContact C-O 3.53Å; F144-S178 WeakPolarHBondContact CA-O 3.45Å; L145-S178 PolarHBondContact N-O 3.42Å; L145-S178 PolarHBondContact O-N 3.36Å
179I90.5Very high85.3Confident59 Ų5972.4 Ų72.430%0.30341%0.406SS..EExtended strand (participates in β ladder)trans-57.2140.8176.2-56.7174.5000109.2P142 H143 F144 P181 E184P142-I179 HydrophobicContact CB-CD1 4.11Å; P142-I179 HydrophobicContact CB-CG1 4.06Å; P142-I179 HydrophobicContact CB-CG2 4.14Å; H143-I179 CarbonylContact O-C 3.55Å; H143-I179 WeakPolarHBondContact O-CA 3.42Å; F144-I179 HydrophobicContact CD1-CG1 4.02Å; F144-I179 HydrophobicContact CE1-CG1 3.61Å; F144-I179 HydrophobicContact CZ-CG1 4.44Å; I179-P181 VanDerWaalsContact O-CD 3.25Å; I179-P181 WeakPolarHBondContact O-CD 3.31Å; I179-E184 HydrophobicContact CG2-CB 4.02Å
180I91.6Very high86.6Confident54 Ų5467.8 Ų67.828%0.27738%0.381SS..PPolyproline II helixtrans-60.5117.7173.3-65.1175.9000107.5H143 L145 G182 T183H143-I180 HydrophobicContact CB-CB 4.46Å; H143-I180 HydrophobicContact CB-CD1 3.44Å; H143-I180 VanDerWaalsContact CB-CD1 3.44Å; H143-I180 HydrophobicContact CB-CG1 4Å; H143-I180 PolarHBondContact O-N 2.87Å; L145-I180 HydrophobicContact CD1-CG1 4.38Å; L145-I180 HydrophobicContact CD2-CD1 4.23Å; L145-I180 HydrophobicContact CD2-CG1 3.75Å; L145-I180 HydrophobicContact CG-CB 4.47Å; L145-I180 HydrophobicContact CG-CG1 3.64Å; I180-G182 PolarHBondContact O-N 3.12Å; I180-T183 HydrophobicContact CB-CG2 3.86Å; I180-T183 HydrophobicContact CG2-CG2 3.75Å; I180-T183 WeakPolarHBondContact O-CB 3.45Å; I180-T183 PolarHBondContact O-N 3.38Å; I180-T183 VanDerWaalsContact O-N 3.1Å; I180-T183 PolarHBondContact O-OG1 3.1Å
181P91.2Very high87.5Confident104 Ų10465.3 Ų65.368%0.67536%0.363SS*.THydrogen-bonded Turntrans-57.7133.2-177.7-25.334.9000112.2I179I179-P181 VanDerWaalsContact O-CD 3.25Å; I179-P181 WeakPolarHBondContact O-CD 3.31Å
182G92.9Very high88.1Confident11 Ų1164.1 Ų64.111%0.11337%0.365CS..THydrogen-bonded Turntrans87.50.6-177.700000115.1P133 Y134 C135 I180 E184P133-G182 VanDerWaalsContact CB-O 3.31Å; P133-G182 WeakPolarHBondContact CB-O 3.27Å; Y134-G182 PolarHBondContact N-O 3.44Å; C135-G182 PolarHBondContact N-O 2.99Å; C135-G182 PolarHBondContact SG-O 3.49Å; C135-G182 VanDerWaalsContact SG-O 3.37Å; I180-G182 PolarHBondContact O-N 3.12Å; G182-E184 PolarHBondContact N-OE1 3.08Å; G182-E184 PolarHBondContact N-OE2 3.26Å
183T93.7Very high89Confident16 Ų1665.7 Ų65.710%0.09837%0.367CS..  trans-101.4-16.3173.567.30000113.1P133 Y139 I180P133-T183 WeakPolarHBondContact CG-O 3.49Å; Y139-T183 HydrophobicContact CE2-CG2 4.22Å; I180-T183 HydrophobicContact CB-CG2 3.86Å; I180-T183 HydrophobicContact CG2-CG2 3.75Å; I180-T183 WeakPolarHBondContact O-CB 3.45Å; I180-T183 PolarHBondContact O-N 3.38Å; I180-T183 VanDerWaalsContact O-N 3.1Å; I180-T183 PolarHBondContact O-OG1 3.1Å
184E93.8Very high90Very high57 Ų5762.1 Ų62.127%0.26635%0.351SS..SBendtrans-70.5137.6178.767.3-73.6176.100112.4P133 I179 G182 R186P133-E184 WeakPolarHBondContact CB-O 3.44Å; P133-E184 WeakPolarHBondContact CG-O 3.16Å; I179-E184 HydrophobicContact CG2-CB 4.02Å; G182-E184 PolarHBondContact N-OE1 3.08Å; G182-E184 PolarHBondContact N-OE2 3.26Å; E184-R186 HydrophobicContact CG-CG 4.46Å; E184-R186 PolarHBondContact O-N 3.22Å
185V95.9Very high90.9Very high16 Ų1659 Ų5910%0.09733%0.334CS..  trans-68.5129.6167.9-1760000108.2P133 L138 F187 F251P133-V185 HydrophobicContact CG-CG2 4.2Å; L138-V185 HydrophobicContact CD2-CG2 4.22Å; V185-F187 VanDerWaalsContact C-N 3.29Å; V185-F187 HydrophobicContact CB-CD2 4.08Å; V185-F187 HydrophobicContact CB-CE2 3.94Å; V185-F187 HydrophobicContact CG1-CD1 4.16Å; V185-F187 HydrophobicContact CG1-CD2 3.63Å; V185-F187 HydrophobicContact CG1-CE1 4Å; V185-F187 HydrophobicContact CG1-CE2 3.42Å; V185-F187 VanDerWaalsContact CG1-CE2 3.42Å; V185-F187 HydrophobicContact CG1-CG 4.01Å; V185-F187 HydrophobicContact CG1-CZ 3.61Å; V185-F187 PolarHBondContact O-N 3.49Å; V185-F187 VanDerWaalsContact O-N 3.16Å; V185-F251 HydrophobicContact CG1-CE1 3.81Å; V185-F251 HydrophobicContact CG1-CZ 4.48Å
186R96.1Very high91.7Very high61 Ų6159.3 Ų59.323%0.2332%0.324CS..  trans-95.654.3-170.3-64.6-176.2-64.7130.33.3111.3T129 R130 L131 V132 Y134 E184T129-R186 PolarHBondContact O-NH2 3.39Å; R130-R186 VanDerWaalsContact O-CB 3.27Å; R130-R186 WeakPolarHBondContact O-CB 3.44Å; R130-R186 PolarHBondContact O-NH1 3.25Å; R130-R186 PolarHBondContact O-NH2 2.9Å; L131-R186 WeakPolarHBondContact CD2-O 3.34Å; L131-R186 PolarHBondContact O-N 2.88Å; V132-R186 PolarHBondContact O-NE 3.46Å; V132-R186 VanDerWaalsContact O-NE 3.16Å; V132-R186 PolarHBondContact O-NH2 3.27Å; Y134-R186 PolarHBondContact OH-NH1 3.07Å; Y134-R186 VanDerWaalsContact OH-NH1 3.16Å; E184-R186 HydrophobicContact CG-CG 4.46Å; E184-R186 PolarHBondContact O-N 3.22Å
187F96.9Very high92.5Very high32 Ų3256.6 Ų56.614%0.1431%0.311CS..  trans-57.1149.3174.6-71.3-58.3000111.9L131 V185 S189 E248 F251 A252 E263 Q267L131-F187 HydrophobicContact CD2-CD1 4.25Å; V185-F187 VanDerWaalsContact C-N 3.29Å; V185-F187 HydrophobicContact CB-CD2 4.08Å; V185-F187 HydrophobicContact CB-CE2 3.94Å; V185-F187 HydrophobicContact CG1-CD1 4.16Å; V185-F187 HydrophobicContact CG1-CD2 3.63Å; V185-F187 HydrophobicContact CG1-CE1 4Å; V185-F187 HydrophobicContact CG1-CE2 3.42Å; V185-F187 VanDerWaalsContact CG1-CE2 3.42Å; V185-F187 HydrophobicContact CG1-CG 4.01Å; V185-F187 HydrophobicContact CG1-CZ 3.61Å; V185-F187 PolarHBondContact O-N 3.49Å; V185-F187 VanDerWaalsContact O-N 3.16Å; F187-S189 PolarHBondContact O-N 2.97Å; F187-E248 HydrophobicContact CD1-CG 3.95Å; F187-E248 HydrophobicContact CE1-CG 4.39Å; F187-F251 AromaticContact CE1-CD1 3.67Å; F187-F251 HydrophobicContact CE1-CD1 3.67Å; F187-F251 HydrophobicContact CE1-CE1 4.03Å; F187-F251 HydrophobicContact CZ-CD1 4.07Å; F187-F251 HydrophobicContact CZ-CE1 4.12Å; F187-A252 HydrophobicContact CE1-CB 3.87Å; F187-A252 HydrophobicContact CZ-CB 4.08Å; F187-E263 HydrophobicContact CE2-CB 4.17Å; F187-Q267 HydrophobicContact CB-CG 4.05Å; F187-Q267 HydrophobicContact CD1-CB 4.08Å; F187-Q267 HydrophobicContact CD1-CG 3.58Å; F187-Q267 HydrophobicContact CD2-CB 4.03Å; F187-Q267 HydrophobicContact CD2-CG 4.3Å; F187-Q267 HydrophobicContact CE1-CB 4.14Å; F187-Q267 HydrophobicContact CE1-CG 3.98Å; F187-Q267 HydrophobicContact CE2-CB 4.13Å; F187-Q267 HydrophobicContact CG-CB 4.01Å; F187-Q267 HydrophobicContact CG-CG 3.74Å; F187-Q267 HydrophobicContact CZ-CB 4.18Å
188T96.8Very high92.9Very high12 Ų1257.4 Ų57.47%0.07432%0.322CS..  trans-63.8125.9172-57.70000108.6R130 I190 T219 V222 I223 E248 Q267R130-T188 PolarHBondContact NH1-OG1 3.11Å; T188-I190 PolarHBondContact O-N 2.92Å; T188-T219 HydrophobicContact CG2-CG2 4.04Å; T188-V222 HydrophobicContact CG2-CB 4.41Å; T188-V222 HydrophobicContact CG2-CG1 3.91Å; T188-I223 HydrophobicContact CG2-CD1 4.5Å; T188-I223 HydrophobicContact CG2-CG1 3.94Å; T188-E248 WeakPolarHBondContact CB-OE1 3.31Å; T188-E248 WeakPolarHBondContact CB-OE2 3.48Å; T188-E248 PolarHBondContact N-OE1 3.21Å; T188-E248 PolarHBondContact OG1-OE2 2.96Å; T188-Q267 PolarHBondContact O-NE2 3.3Å
189S93.7Very high93.2Very high108 Ų10864.1 Ų64.176%0.75535%0.354SS*.  trans-68.2101176.8-53.10000110.3F187F187-S189 PolarHBondContact O-N 2.97Å
190I93.4Very high93.4Very high16 Ų1662.3 Ų62.38%0.08235%0.346CS..  trans-91117.4172.6-59.4174.2000107.5T188 T192 T219 R270 I271 L274T188-I190 PolarHBondContact O-N 2.92Å; I190-T192 PolarHBondContact O-N 3.43Å; I190-T219 HydrophobicContact CD1-CG2 4.33Å; I190-T219 HydrophobicContact CG1-CG2 3.89Å; I190-R270 HydrophobicContact CB-CG 3.75Å; I190-R270 HydrophobicContact CD1-CG 4.14Å; I190-R270 HydrophobicContact CG2-CG 3.73Å; I190-I271 HydrophobicContact CD1-CD1 4.44Å; I190-I271 HydrophobicContact CD1-CG1 3.45Å; I190-I271 VanDerWaalsContact CD1-CG1 3.45Å; I190-L274 HydrophobicContact CD1-CD2 4.5Å; I190-L274 HydrophobicContact CG2-CD2 4.01Å
191P89.2Confident93.6Very high44 Ų4462 Ų6229%0.28635%0.349SS..  trans-54138.8-179.9-22.430.9000110.4L195 R270P191-L195 HydrophobicContact CB-CD2 4Å; P191-L195 HydrophobicContact CB-CG 4.14Å; P191-L195 HydrophobicContact CG-CD1 3.68Å; P191-L195 HydrophobicContact CG-CD2 3.91Å; P191-L195 HydrophobicContact CG-CG 3.77Å; P191-R270 PolarHBondContact O-NE 3.29Å; P191-R270 PolarHBondContact O-NH2 3.23Å
192T84.9Confident93.8Very high112 Ų11262 Ų6269%0.68735%0.349SS*.SBendtrans-70.3-34.7178.850.40000112.5I190 R270I190-T192 PolarHBondContact O-N 3.43Å; T192-R270 VanDerWaalsContact C-NH2 3.26Å; T192-R270 PolarHBondContact O-NH2 3.39Å
193K89.9Confident93.9Very high129 Ų12965.9 Ų65.956%0.56138%0.375SS*.SBendtrans-96143.2174.8-62-168.8174.6-162.50110.7L195 E422K193-L195 PolarHBondContact O-N 3.28Å; K193-E422 IonicContact NZ-OE1 2.83Å; K193-E422 PolarHBondContact NZ-OE1 2.99Å
194P92.9Very high94Very high33 Ų3369.7 Ų69.721%0.21439%0.391CS..PPolyproline II helixtrans-54136174.7-26.335000111.9Q212P194-Q212 HydrophobicContact CB-CG 4.15Å; P194-Q212 HydrophobicContact CG-CG 4.14Å
195L94.8Very high94.1Very high52 Ų5269.3 Ų69.327%0.27239%0.39SS..PPolyproline II helixtrans-86156.3172.9-62.3-176.5000110.9P191 K193 Y214 T215 T218P191-L195 HydrophobicContact CB-CD2 4Å; P191-L195 HydrophobicContact CB-CG 4.14Å; P191-L195 HydrophobicContact CG-CD1 3.68Å; P191-L195 HydrophobicContact CG-CD2 3.91Å; P191-L195 HydrophobicContact CG-CG 3.77Å; K193-L195 PolarHBondContact O-N 3.28Å; L195-Y214 VanDerWaalsContact C-CD1 3.48Å; L195-Y214 HydrophobicContact CB-CD1 3.7Å; L195-Y214 HydrophobicContact CB-CE1 3.82Å; L195-Y214 WeakPolarHBondContact O-CD1 3.46Å; L195-T215 HydrophobicContact CG-CG2 4.23Å; L195-T215 PolarHBondContact N-OG1 2.66Å; L195-T218 HydrophobicContact CD1-CG2 3.68Å
196Y95.2Very high94.1Very high104 Ų10472.3 Ų72.341%0.40841%0.409SS..  trans-146.7157.8171.945.1-93000109.8I205Y196-I205 HydrophobicContact CD1-CG1 4.31Å; Y196-I205 HydrophobicContact CD1-CG2 3.9Å; Y196-I205 HydrophobicContact CD2-CD1 4.29Å; Y196-I205 HydrophobicContact CD2-CG1 3.77Å; Y196-I205 HydrophobicContact CE1-CG1 4.39Å; Y196-I205 HydrophobicContact CE1-CG2 3.78Å; Y196-I205 HydrophobicContact CE2-CD1 3.86Å; Y196-I205 HydrophobicContact CE2-CG1 3.84Å; Y196-I205 HydrophobicContact CG-CG1 4Å; Y196-I205 HydrophobicContact CG-CG2 4.41Å
197P95.4Very high94Very high39 Ų3971.6 Ų71.625%0.25342%0.416SS..  trans-55.9143.6176.1-24.132.1000112.3L199 S200 H208 Y214P197-L199 PolarHBondContact O-N 3.43Å; P197-S200 WeakPolarHBondContact CD-OG 3.39Å; P197-S200 WeakPolarHBondContact O-CB 3.33Å; P197-S200 PolarHBondContact O-N 3.08Å; P197-S200 PolarHBondContact O-OG 3.02Å; P197-H208 VanDerWaalsContact CD-CD2 3.47Å; P197-H208 WeakPolarHBondContact CD-CD2 3.38Å; P197-H208 WeakPolarHBondContact CD-NE2 3.41Å; P197-Y214 HydrophobicContact CB-CE2 4.3Å; P197-Y214 HydrophobicContact CG-CD2 3.85Å; P197-Y214 HydrophobicContact CG-CE2 3.61Å; P197-Y214 HydrophobicContact CG-CG 4.48Å
198P94.1Very high93.9Very high109 Ų10972.2 Ų72.271%0.70842%0.419SS*.THydrogen-bonded Turntrans-55.4142.4171.4-23.133.3000110.9S200P198-S200 PolarHBondContact O-N 2.9Å
199L94Very high93.7Very high179 Ų17974.3 Ų74.394%0.93743%0.434SS*.THydrogen-bonded Turntrans68.315.1-179.1-47.1172.4000115.2P197 S201P197-L199 PolarHBondContact O-N 3.43Å; L199-S201 PolarHBondContact O-N 3.08Å
200S95.1Very high93.7Very high20 Ų2075.2 Ų75.214%0.1443%0.428CS..  trans-56.6134.7169.6-65.30000111P197 P198P197-S200 WeakPolarHBondContact CD-OG 3.39Å; P197-S200 WeakPolarHBondContact O-CB 3.33Å; P197-S200 PolarHBondContact O-N 3.08Å; P197-S200 PolarHBondContact O-OG 3.02Å; P198-S200 PolarHBondContact O-N 2.9Å
201S96.4Very high93.8Very high47 Ų4776.1 Ų76.133%0.32943%0.433SS..  trans-64.6158.7169.566.10000110.9L199 S203 E204 I205L199-S201 PolarHBondContact O-N 3.08Å; S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 VanDerWaalsContact O-N 3.13Å; S201-E204 VanDerWaalsContact CB-OE2 3.31Å; S201-E204 WeakPolarHBondContact CB-OE2 3.35Å; S201-E204 PolarHBondContact N-OE2 2.91Å; S201-E204 PolarHBondContact O-N 3.33Å; S201-E204 VanDerWaalsContact OG-CD 3.28Å; S201-E204 WeakPolarHBondContact OG-CG 3.14Å; S201-E204 PolarHBondContact OG-N 3.35Å; S201-E204 PolarHBondContact OG-OE2 3.36Å; S201-I205 WeakPolarHBondContact O-CG1 3.39Å; S201-I205 PolarHBondContact O-N 3.05Å
202P95.2Very high94.2Very high105 Ų10574.8 Ų74.868%0.68242%0.423SS*.Hα-helixtrans-53.3-36.5177.3-29.236.3000113.8I205 T206P202-I205 PolarHBondContact O-N 3.2Å; P202-T206 PolarHBondContact O-N 3.2Å; P202-T206 PolarHBondContact O-OG1 2.94Å; P202-T206 VanDerWaalsContact O-OG1 3.12Å
203S95.5Very high94.8Very high93 Ų9369.8 Ų69.865%0.6539%0.392SS*.Hα-helixtrans-65.7-39.6175.4-176.70000112.8S201 A207S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 VanDerWaalsContact O-N 3.13Å; S203-A207 PolarHBondContact O-N 3.37Å
204E95.7Very high95.1Very high96 Ų9667.2 Ų67.245%0.44938%0.379SS..Hα-helixtrans-71.2-37.6177.5-72.1162.2145.900111.1S201 A207 H208S201-E204 VanDerWaalsContact CB-OE2 3.31Å; S201-E204 WeakPolarHBondContact CB-OE2 3.35Å; S201-E204 PolarHBondContact N-OE2 2.91Å; S201-E204 PolarHBondContact O-N 3.33Å; S201-E204 VanDerWaalsContact OG-CD 3.28Å; S201-E204 WeakPolarHBondContact OG-CG 3.14Å; S201-E204 PolarHBondContact OG-N 3.35Å; S201-E204 PolarHBondContact OG-OE2 3.36Å; E204-A207 WeakPolarHBondContact O-CB 3.47Å; E204-A207 PolarHBondContact O-N 3.16Å; E204-H208 PolarHBondContact O-CD2 2.62Å; E204-H208 PolarHBondContact O-N 3.42Å
205I94.7Very high95.3Very high48 Ų4865.6 Ų65.625%0.24637%0.369CS..Hα-helixtrans-58.9-49.6173.4-64.7172.1000109.9Y196 S201 P202 A207 H208 C209Y196-I205 HydrophobicContact CD1-CG1 4.31Å; Y196-I205 HydrophobicContact CD1-CG2 3.9Å; Y196-I205 HydrophobicContact CD2-CD1 4.29Å; Y196-I205 HydrophobicContact CD2-CG1 3.77Å; Y196-I205 HydrophobicContact CE1-CG1 4.39Å; Y196-I205 HydrophobicContact CE1-CG2 3.78Å; Y196-I205 HydrophobicContact CE2-CD1 3.86Å; Y196-I205 HydrophobicContact CE2-CG1 3.84Å; Y196-I205 HydrophobicContact CG-CG1 4Å; Y196-I205 HydrophobicContact CG-CG2 4.41Å; S201-I205 WeakPolarHBondContact O-CG1 3.39Å; S201-I205 PolarHBondContact O-N 3.05Å; P202-I205 PolarHBondContact O-N 3.2Å; I205-A207 VanDerWaalsContact C-N 3.28Å; I205-A207 PolarHBondContact O-N 3.38Å; I205-H208 PolarHBondContact O-N 2.68Å; I205-C209 PolarHBondContact O-N 2.78Å; I205-C209 PolarHBondContact O-SG 3.3Å; I205-C209 VanDerWaalsContact O-SG 3.33Å
206T95.3Very high95.4Very high80 Ų8063.1 Ų63.149%0.49136%0.356SS..Hα-helixtrans-58.5-41.5176-58.40000111.5P202 H208 C209 M210P202-T206 PolarHBondContact O-N 3.2Å; P202-T206 PolarHBondContact O-OG1 2.94Å; P202-T206 VanDerWaalsContact O-OG1 3.12Å; T206-H208 PolarHBondContact O-N 2.78Å; T206-C209 PolarHBondContact O-N 2.71Å; T206-M210 HydrophobicContact CG2-CE 4.27Å; T206-M210 WeakPolarHBondContact O-CG 3.31Å; T206-M210 PolarHBondContact O-N 3Å
207A95.1Very high95.5Very high45 Ų4559.7 Ų59.737%0.37235%0.347SS..Hα-helixtrans-61-43.2176.300000112.7S203 E204 I205 C209 M210 D211S203-A207 PolarHBondContact O-N 3.37Å; E204-A207 WeakPolarHBondContact O-CB 3.47Å; E204-A207 PolarHBondContact O-N 3.16Å; I205-A207 VanDerWaalsContact C-N 3.28Å; I205-A207 PolarHBondContact O-N 3.38Å; A207-C209 VanDerWaalsContact C-N 3.33Å; A207-C209 PolarHBondContact O-N 3.25Å; A207-M210 PolarHBondContact O-N 2.89Å; A207-D211 PolarHBondContact O-N 3.36Å
208H94.4Very high95.5Very high46 Ų4659.7 Ų59.721%0.21335%0.346CS..Hα-helixtrans-71.3-23.5176.4-73.9-57.2000114.2P197 E204 I205 T206 D211P197-H208 VanDerWaalsContact CD-CD2 3.47Å; P197-H208 WeakPolarHBondContact CD-CD2 3.38Å; P197-H208 WeakPolarHBondContact CD-NE2 3.41Å; E204-H208 PolarHBondContact O-CD2 2.62Å; E204-H208 PolarHBondContact O-N 3.42Å; I205-H208 PolarHBondContact O-N 2.68Å; T206-H208 PolarHBondContact O-N 2.78Å; H208-D211 CarbonylContact C-O 3.5Å; H208-D211 WeakPolarHBondContact CA-O 3.33Å; H208-D211 CarbonylContact O-C 3.31Å; H208-D211 VanDerWaalsContact O-C 3.31Å
209C92.9Very high95.5Very high56 Ų5654.6 Ų54.638%0.37831%0.313SS..Hα-helixtrans-74.2-35.4170.1-69.30000112.1I205 T206 A207I205-C209 PolarHBondContact O-N 2.78Å; I205-C209 PolarHBondContact O-SG 3.3Å; I205-C209 VanDerWaalsContact O-SG 3.33Å; T206-C209 PolarHBondContact O-N 2.71Å; A207-C209 VanDerWaalsContact C-N 3.33Å; A207-C209 PolarHBondContact O-N 3.25Å
210M93.4Very high95.6Very high127 Ų12746.4 Ų46.463%0.62627%0.27SS*.Hα-helixtrans-72.3-42.8176-68.4-174.1-62.600111.8T206 A207 R346T206-M210 HydrophobicContact CG2-CE 4.27Å; T206-M210 WeakPolarHBondContact O-CG 3.31Å; T206-M210 PolarHBondContact O-N 3Å; A207-M210 PolarHBondContact O-N 2.89Å; M210-R346 PolarHBondContact O-NH2 3.15Å
211D96.2Very high95.4Very high35 Ų3550.3 Ų50.319%0.18729%0.289CS..  trans-119.8105.5175.7-175-17.1000110.7A207 H208 T213 C278 E279 K280A207-D211 PolarHBondContact O-N 3.36Å; H208-D211 CarbonylContact C-O 3.5Å; H208-D211 WeakPolarHBondContact CA-O 3.33Å; H208-D211 CarbonylContact O-C 3.31Å; H208-D211 VanDerWaalsContact O-C 3.31Å; D211-T213 PolarHBondContact O-N 3.49Å; D211-T213 VanDerWaalsContact O-N 3.1Å; D211-T213 WeakPolarHBondContact OD1-CB 3.29Å; D211-T213 PolarHBondContact OD1-N 2.94Å; D211-T213 PolarHBondContact OD1-OG1 2.95Å; D211-C278 WeakPolarHBondContact OD1-CA 3.43Å; D211-E279 PolarHBondContact OD1-N 3.03Å; D211-E279 PolarHBondContact OD2-N 3.23Å; D211-K280 WeakPolarHBondContact OD2-CB 3.33Å; D211-K280 PolarHBondContact OD2-N 3.06Å
212Q97.2Very high95.3Very high15 Ų1551.4 Ų51.47%0.0729%0.294CS..THydrogen-bonded Turntrans-80.215.4-175.6-58.2-172.424.500113.6P194 Y214 T215 L216 L274 S277 C278P194-Q212 HydrophobicContact CB-CG 4.15Å; P194-Q212 HydrophobicContact CG-CG 4.14Å; Q212-Y214 PolarHBondContact O-N 3.16Å; Q212-Y214 VanDerWaalsContact O-N 3.07Å; Q212-T215 WeakPolarHBondContact O-CA 3.44Å; Q212-T215 VanDerWaalsContact O-CB 3.25Å; Q212-T215 WeakPolarHBondContact O-CB 3.39Å; Q212-T215 PolarHBondContact O-N 3.16Å; Q212-L216 PolarHBondContact O-N 3.45Å; Q212-L274 HydrophobicContact CB-CD1 3.92Å; Q212-S277 PolarHBondContact N-O 2.94Å; Q212-C278 PolarHBondContact O-SG 3.38Å
213T97.2Very high95.2Very high7 Ų746.4 Ų46.44%0.04326%0.261CS..Hα-helixtrans-51.9-35.3180-66.20000112.3D211 L216 C217 C278 K280 A281D211-T213 PolarHBondContact O-N 3.49Å; D211-T213 VanDerWaalsContact O-N 3.1Å; D211-T213 WeakPolarHBondContact OD1-CB 3.29Å; D211-T213 PolarHBondContact OD1-N 2.94Å; D211-T213 PolarHBondContact OD1-OG1 2.95Å; T213-L216 PolarHBondContact O-N 3.48Å; T213-C217 PolarHBondContact O-N 3.28Å; T213-C217 PolarHBondContact O-SG 3.49Å; T213-C278 PolarHBondContact N-SG 3.4Å; T213-C278 VanDerWaalsContact N-SG 3.38Å; T213-C278 WeakPolarHBondContact OG1-CB 3.28Å; T213-K280 HydrophobicContact CG2-CB 4.27Å; T213-K280 HydrophobicContact CG2-CD 4.29Å; T213-K280 HydrophobicContact CG2-CG 4.48Å; T213-A281 HydrophobicContact CG2-CB 3.97Å; T213-A281 PolarHBondContact OG1-N 3.33Å
214Y96.8Very high95Very high75 Ų7544.7 Ų44.729%0.29424%0.242SC..Hα-helixtrans-64.1-40.5175-178.3-93000112.8L195 P197 Q212 L216 C217 T218L195-Y214 VanDerWaalsContact C-CD1 3.48Å; L195-Y214 HydrophobicContact CB-CD1 3.7Å; L195-Y214 HydrophobicContact CB-CE1 3.82Å; L195-Y214 WeakPolarHBondContact O-CD1 3.46Å; P197-Y214 HydrophobicContact CB-CE2 4.3Å; P197-Y214 HydrophobicContact CG-CD2 3.85Å; P197-Y214 HydrophobicContact CG-CE2 3.61Å; P197-Y214 HydrophobicContact CG-CG 4.48Å; Q212-Y214 PolarHBondContact O-N 3.16Å; Q212-Y214 VanDerWaalsContact O-N 3.07Å; Y214-L216 VanDerWaalsContact C-N 3.34Å; Y214-C217 PolarHBondContact O-N 3.48Å; Y214-T218 WeakPolarHBondContact O-CB 3.4Å; Y214-T218 PolarHBondContact O-N 3.3Å; Y214-T218 PolarHBondContact O-OG1 3.34Å
215T97.6Very high94.7Very high0 Ų043.8 Ų43.80%025%0.246CC..Hα-helixtrans-63.7-40.7174-49.90000111.2L195 Q212 T218 T219 L274L195-T215 HydrophobicContact CG-CG2 4.23Å; L195-T215 PolarHBondContact N-OG1 2.66Å; Q212-T215 WeakPolarHBondContact O-CA 3.44Å; Q212-T215 VanDerWaalsContact O-CB 3.25Å; Q212-T215 WeakPolarHBondContact O-CB 3.39Å; Q212-T215 PolarHBondContact O-N 3.16Å; T215-T218 PolarHBondContact O-N 2.92Å; T215-T219 WeakPolarHBondContact O-CB 3.25Å; T215-T219 PolarHBondContact O-N 2.98Å; T215-T219 PolarHBondContact O-OG1 2.98Å; T215-L274 HydrophobicContact CG2-CD1 3.92Å
216L97.3Very high94.3Very high0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-63.1-49.8175.5176.562.3000111.3Q212 T213 Y214 T218 T219 I220 L245 L274 L275 C278 A281 L288Q212-L216 PolarHBondContact O-N 3.45Å; T213-L216 PolarHBondContact O-N 3.48Å; Y214-L216 VanDerWaalsContact C-N 3.34Å; L216-T218 VanDerWaalsContact C-N 3.3Å; L216-T218 PolarHBondContact O-N 3.34Å; L216-T219 WeakPolarHBondContact O-CB 3.25Å; L216-T219 PolarHBondContact O-N 3.19Å; L216-T219 VanDerWaalsContact O-N 3.13Å; L216-I220 HydrophobicContact CD1-CD1 3.99Å; L216-I220 HydrophobicContact CD1-CG1 4.23Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 2.81Å; L216-L245 HydrophobicContact CD1-CD2 3.59Å; L216-L274 HydrophobicContact CB-CD1 4.27Å; L216-L274 HydrophobicContact CB-CD2 4.44Å; L216-L274 HydrophobicContact CB-CG 4.32Å; L216-L274 HydrophobicContact CD1-CD2 4.14Å; L216-L274 HydrophobicContact CD1-CG 4.39Å; L216-L275 HydrophobicContact CD1-CD2 3.81Å; L216-L275 HydrophobicContact CD2-CD2 3.97Å; L216-C278 HydrophobicContact CD2-CB 4.26Å; L216-A281 HydrophobicContact CD2-CB 3.61Å; L216-L288 HydrophobicContact CD2-CD2 4.47Å
217C95.6Very high93.8Very high31 Ų3141 Ų4121%0.20923%0.233CC..Hα-helixtrans-58-44.1176.9-66.60000111.5T213 Y214 T219 I220 D221 Y285T213-C217 PolarHBondContact O-N 3.28Å; T213-C217 PolarHBondContact O-SG 3.49Å; Y214-C217 PolarHBondContact O-N 3.48Å; C217-T219 VanDerWaalsContact C-N 3.33Å; C217-T219 PolarHBondContact O-N 2.68Å; C217-I220 WeakPolarHBondContact O-CB 3.46Å; C217-I220 PolarHBondContact O-N 3.02Å; C217-D221 PolarHBondContact O-N 2.85Å; C217-Y285 PolarHBondContact SG-OH 2.9Å
218T95.4Very high92.5Very high39 Ų3942.5 Ų42.524%0.23924%0.238CC..Hα-helixtrans-62.4-40.8177-53.40000111.6L195 Y214 T215 L216 D221 V222L195-T218 HydrophobicContact CD1-CG2 3.68Å; Y214-T218 WeakPolarHBondContact O-CB 3.4Å; Y214-T218 PolarHBondContact O-N 3.3Å; Y214-T218 PolarHBondContact O-OG1 3.34Å; T215-T218 PolarHBondContact O-N 2.92Å; L216-T218 VanDerWaalsContact C-N 3.3Å; L216-T218 PolarHBondContact O-N 3.34Å; T218-D221 PolarHBondContact O-N 2.77Å; T218-V222 WeakPolarHBondContact O-CG2 3.26Å; T218-V222 PolarHBondContact O-N 3.29Å
219T95.8Very high91Very high3 Ų345.1 Ų45.12%0.01826%0.261CS..Hα-helixtrans-62.3-44174.9-580000111.3T188 I190 T215 L216 C217 D221 V222 I223 L245T188-T219 HydrophobicContact CG2-CG2 4.04Å; I190-T219 HydrophobicContact CD1-CG2 4.33Å; I190-T219 HydrophobicContact CG1-CG2 3.89Å; T215-T219 WeakPolarHBondContact O-CB 3.25Å; T215-T219 PolarHBondContact O-N 2.98Å; T215-T219 PolarHBondContact O-OG1 2.98Å; L216-T219 WeakPolarHBondContact O-CB 3.25Å; L216-T219 PolarHBondContact O-N 3.19Å; L216-T219 VanDerWaalsContact O-N 3.13Å; C217-T219 VanDerWaalsContact C-N 3.33Å; C217-T219 PolarHBondContact O-N 2.68Å; T219-D221 VanDerWaalsContact C-N 3.3Å; T219-D221 PolarHBondContact O-N 3.34Å; T219-V222 PolarHBondContact O-N 2.85Å; T219-I223 HydrophobicContact CG2-CD1 4.3Å; T219-I223 WeakPolarHBondContact O-CG1 3.32Å; T219-I223 PolarHBondContact O-N 3.42Å; T219-L245 HydrophobicContact CG2-CD1 4.37Å
220I94.8Very high89.1Confident7 Ų749.7 Ų49.74%0.03628%0.277CS..Hα-helixtrans-61.6-39.5176.2-71.3170.4000110.8L216 C217 I223 F224 T242L216-I220 HydrophobicContact CD1-CD1 3.99Å; L216-I220 HydrophobicContact CD1-CG1 4.23Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 2.81Å; C217-I220 WeakPolarHBondContact O-CB 3.46Å; C217-I220 PolarHBondContact O-N 3.02Å; I220-I223 PolarHBondContact O-N 2.77Å; I220-F224 WeakPolarHBondContact O-CB 3.44Å; I220-F224 PolarHBondContact O-N 2.77Å; I220-T242 HydrophobicContact CD1-CG2 3.83Å
221D92.3Very high87.2Confident102 Ų10253 Ų5355%0.54529%0.288SS..Hα-helixtrans-66-39.1176.3-71.6-25.6000112.3C217 T218 T219 F224 S225C217-D221 PolarHBondContact O-N 2.85Å; T218-D221 PolarHBondContact O-N 2.77Å; T219-D221 VanDerWaalsContact C-N 3.3Å; T219-D221 PolarHBondContact O-N 3.34Å; D221-F224 WeakPolarHBondContact O-CB 3.14Å; D221-F224 PolarHBondContact O-N 3.14Å; D221-S225 WeakPolarHBondContact O-CB 3.21Å; D221-S225 PolarHBondContact O-N 3.17Å
222V93Very high84.9Confident69 Ų6955.5 Ų55.542%0.41831%0.314SS..Hα-helixtrans-61.6-48.6173.2172.10000110.2T188 T218 T219 F224 S225 S226T188-V222 HydrophobicContact CG2-CB 4.41Å; T188-V222 HydrophobicContact CG2-CG1 3.91Å; T218-V222 WeakPolarHBondContact O-CG2 3.26Å; T218-V222 PolarHBondContact O-N 3.29Å; T219-V222 PolarHBondContact O-N 2.85Å; V222-F224 VanDerWaalsContact C-N 3.33Å; V222-F224 PolarHBondContact O-N 3.37Å; V222-S225 PolarHBondContact O-N 3.32Å; V222-S225 PolarHBondContact O-OG 3.34Å; V222-S226 PolarHBondContact O-N 2.93Å
223I93.9Very high82.9Confident0 Ų057.2 Ų57.20%033%0.327CS..Hα-helixtrans-57.6-48.4175.8-68.2173.1000110T188 T219 I220 S225 S226 I227 E244 L245T188-I223 HydrophobicContact CG2-CD1 4.5Å; T188-I223 HydrophobicContact CG2-CG1 3.94Å; T219-I223 HydrophobicContact CG2-CD1 4.3Å; T219-I223 WeakPolarHBondContact O-CG1 3.32Å; T219-I223 PolarHBondContact O-N 3.42Å; I220-I223 PolarHBondContact O-N 2.77Å; I223-S225 VanDerWaalsContact C-N 3.34Å; I223-S225 PolarHBondContact O-N 3.48Å; I223-S226 PolarHBondContact O-N 2.65Å; I223-S226 VanDerWaalsContact O-N 3.11Å; I223-S226 PolarHBondContact O-OG 2.79Å; I223-I227 HydrophobicContact CG2-CD1 3.88Å; I223-I227 WeakPolarHBondContact O-CG1 3.46Å; I223-I227 PolarHBondContact O-N 2.89Å; I223-E244 HydrophobicContact CG2-CB 3.64Å; I223-L245 HydrophobicContact CD1-CB 3.82Å; I223-L245 HydrophobicContact CD1-CD1 3.87Å; I223-L245 HydrophobicContact CD1-CG 4.43Å
224F90.1Very high80.9Confident58 Ų5861.4 Ų61.425%0.25437%0.372SS..Hα-helixtrans-55-48.5178.7179.2-107.3000112.3I220 D221 V222 S226 I227 T228 K237 S241I220-F224 WeakPolarHBondContact O-CB 3.44Å; I220-F224 PolarHBondContact O-N 2.77Å; D221-F224 WeakPolarHBondContact O-CB 3.14Å; D221-F224 PolarHBondContact O-N 3.14Å; V222-F224 VanDerWaalsContact C-N 3.33Å; V222-F224 PolarHBondContact O-N 3.37Å; F224-S226 PolarHBondContact O-N 2.84Å; F224-I227 PolarHBondContact O-N 3.1Å; F224-T228 HydrophobicContact CE1-CG2 3.91Å; F224-T228 HydrophobicContact CE2-CG2 3.84Å; F224-T228 HydrophobicContact CZ-CG2 3.47Å; F224-T228 VanDerWaalsContact CZ-CG2 3.47Å; F224-T228 PolarHBondContact O-N 3.46Å; F224-T228 PolarHBondContact O-OG1 3.11Å; F224-K237 HydrophobicContact CD2-CB 4.46Å; F224-K237 HydrophobicContact CE2-CB 3.8Å; F224-K237 HydrophobicContact CE2-CD 3.97Å; F224-K237 HydrophobicContact CE2-CG 4.06Å; F224-K237 HydrophobicContact CZ-CD 3.96Å; F224-S241 WeakPolarHBondContact CB-OG 3.38Å; F224-S241 WeakPolarHBondContact CD2-OG 3.31Å
225S89.5Confident79.1Confident76 Ų7663.2 Ų63.253%0.53139%0.386SS..Hα-helixtrans-58.9-31.8-179.175.30000112.8D221 V222 I223 T228D221-S225 WeakPolarHBondContact O-CB 3.21Å; D221-S225 PolarHBondContact O-N 3.17Å; V222-S225 PolarHBondContact O-N 3.32Å; V222-S225 PolarHBondContact O-OG 3.34Å; I223-S225 VanDerWaalsContact C-N 3.34Å; I223-S225 PolarHBondContact O-N 3.48Å; S225-T228 PolarHBondContact O-OG1 3.03Å; S225-T228 VanDerWaalsContact O-OG1 3.1Å
226S87.5Confident77.9Confident53 Ų5368.3 Ų68.337%0.37141%0.413SS..Hα-helixtrans-76.9-28.1178.473.20000113.8R130 V222 I223 F224R130-S226 WeakPolarHBondContact CD-OG 3.36Å; V222-S226 PolarHBondContact O-N 2.93Å; I223-S226 PolarHBondContact O-N 2.65Å; I223-S226 VanDerWaalsContact O-N 3.11Å; I223-S226 PolarHBondContact O-OG 2.79Å; F224-S226 PolarHBondContact O-N 2.84Å
227I83.6Confident76.9Confident17 Ų1774.1 Ų74.19%0.08744%0.438CS..Hα-helixtrans-76-41.1179.5-60.4163.3000110.9I223 F224 S229 E230 E244I223-I227 HydrophobicContact CG2-CD1 3.88Å; I223-I227 WeakPolarHBondContact O-CG1 3.46Å; I223-I227 PolarHBondContact O-N 2.89Å; F224-I227 PolarHBondContact O-N 3.1Å; I227-S229 PolarHBondContact O-N 2.81Å; I227-E230 PolarHBondContact O-N 3.22Å; I227-E244 HydrophobicContact CD1-CB 4.15Å; I227-E244 HydrophobicContact CD1-CG 3.73Å; I227-E244 HydrophobicContact CG1-CG 4.42Å
228T68.6Low76.1Confident76 Ų7677 Ų7747%0.46645%0.449SS..THydrogen-bonded Turntrans-61.9-6.3-167.828.30000117F224 S225 E230F224-T228 HydrophobicContact CE1-CG2 3.91Å; F224-T228 HydrophobicContact CE2-CG2 3.84Å; F224-T228 HydrophobicContact CZ-CG2 3.47Å; F224-T228 VanDerWaalsContact CZ-CG2 3.47Å; F224-T228 PolarHBondContact O-N 3.46Å; F224-T228 PolarHBondContact O-OG1 3.11Å; S225-T228 PolarHBondContact O-OG1 3.03Å; S225-T228 VanDerWaalsContact O-OG1 3.1Å; T228-E230 VanDerWaalsContact C-N 3.27Å; T228-E230 PolarHBondContact O-N 3.25Å
229S61.9Low75.6Confident102 Ų10278.5 Ų78.571%0.71346%0.455SS*.THydrogen-bonded Turntrans-67-26.3177.764.70000113.1I227I227-S229 PolarHBondContact O-N 2.81Å
230E53.8Low75.2Confident151 Ų15180.9 Ų80.971%0.70647%0.466SS*.SBendtrans-138.9110.4-175.1-64.9-170.8177.100112.5I227 T228I227-E230 PolarHBondContact O-N 3.22Å; T228-E230 VanDerWaalsContact C-N 3.27Å; T228-E230 PolarHBondContact O-N 3.25Å
231K53Low75Confident196 Ų19680.7 Ų80.785%0.85247%0.465SS*.  trans61.885.4166-59.8172.3-177.1167.40115.4S233K231-S233 PolarHBondContact O-N 2.79Å
232A49Very low75.1Confident89 Ų8976.2 Ų76.274%0.73644%0.442SS*.  trans-58.499.316300000110.1
233S53.5Low75.2Confident51 Ų5177.4 Ų77.436%0.35744%0.439SS..  trans-66.2146.3164.778.10000108K231 L235K231-S233 PolarHBondContact O-N 2.79Å; S233-L235 PolarHBondContact O-N 3.45Å
234G57.2Low75.3Confident94 Ų9477.7 Ų77.797%0.96944%0.44SS*.SBendtrans-68.616.7-177.900000115
235L57.9Low75.7Confident114 Ų11475 Ų7560%0.59743%0.428SS*.SBendtrans-75.1158.2176.5-69.1172.7000110.8S233 K237S233-L235 PolarHBondContact O-N 3.45Å; L235-K237 PolarHBondContact O-N 3.44Å; L235-K237 VanDerWaalsContact O-N 3.1Å
236N73.3Confident76.1Confident106 Ų10671.4 Ų71.457%0.56740%0.403SS*.  trans-60.3115.3173.8-174.4-3.2000108.8E238 L239 E240N236-E238 PolarHBondContact O-N 2.99Å; N236-L239 HydrophobicContact CB-CB 4.06Å; N236-L239 WeakPolarHBondContact O-CA 3.39Å; N236-L239 VanDerWaalsContact O-CB 3.28Å; N236-L239 WeakPolarHBondContact O-CB 3.48Å; N236-L239 PolarHBondContact O-N 3.23Å; N236-E240 PolarHBondContact O-N 3.39Å; N236-E240 VanDerWaalsContact O-N 3.17Å
237K74.8Confident76.6Confident122 Ų12268.9 Ų68.953%0.5339%0.385SS..Hα-helixtrans-57.5-37.1-171.9-67.8175.9177.3-1780113.1F224 L235 L239 E240 S241F224-K237 HydrophobicContact CD2-CB 4.46Å; F224-K237 HydrophobicContact CE2-CB 3.8Å; F224-K237 HydrophobicContact CE2-CD 3.97Å; F224-K237 HydrophobicContact CE2-CG 4.06Å; F224-K237 HydrophobicContact CZ-CD 3.96Å; L235-K237 PolarHBondContact O-N 3.44Å; L235-K237 VanDerWaalsContact O-N 3.1Å; K237-L239 VanDerWaalsContact C-N 3.34Å; K237-E240 PolarHBondContact O-N 2.73Å; K237-S241 PolarHBondContact O-N 2.97Å; K237-S241 PolarHBondContact O-OG 3.32Å
238E79.6Confident77.4Confident91 Ų9168 Ų6843%0.42538%0.381SS..Hα-helixtrans-67.6-36.6178.2-167-176.3130.300111.9N236 E240 T242 Y285N236-E238 PolarHBondContact O-N 2.99Å; E238-E240 VanDerWaalsContact C-N 3.32Å; E238-E240 PolarHBondContact O-N 3.2Å; E238-T242 VanDerWaalsContact O-CG2 3.31Å; E238-T242 WeakPolarHBondContact O-CG2 3.3Å; E238-T242 PolarHBondContact O-N 2.84Å; E238-T242 VanDerWaalsContact O-N 3.1Å; E238-T242 PolarHBondContact O-OG1 3.39Å; E238-Y285 HydrophobicContact CG-CD1 4.2Å; E238-Y285 HydrophobicContact CG-CE1 3.66Å; E238-Y285 VanDerWaalsContact OE1-CD1 3.23Å; E238-Y285 WeakPolarHBondContact OE1-CD1 3.44Å; E238-Y285 WeakPolarHBondContact OE1-CE1 3.1Å
239L85.6Confident78.8Confident71 Ų7164.4 Ų64.437%0.37236%0.359SS..Hα-helixtrans-66.1-36.2174-179.664.5000111.3N236 K237 T242 R243N236-L239 HydrophobicContact CB-CB 4.06Å; N236-L239 WeakPolarHBondContact O-CA 3.39Å; N236-L239 VanDerWaalsContact O-CB 3.28Å; N236-L239 WeakPolarHBondContact O-CB 3.48Å; N236-L239 PolarHBondContact O-N 3.23Å; K237-L239 VanDerWaalsContact C-N 3.34Å; L239-T242 WeakPolarHBondContact CA-OG1 3.31Å; L239-T242 PolarHBondContact O-OG1 2.9Å; L239-T242 VanDerWaalsContact O-OG1 3.05Å; L239-R243 HydrophobicContact CD1-CG 4.34Å; L239-R243 WeakPolarHBondContact O-CB 3.39Å; L239-R243 WeakPolarHBondContact O-CD 3.14Å; L239-R243 WeakPolarHBondContact O-CG 3.41Å; L239-R243 PolarHBondContact O-N 3.46Å; L239-R243 VanDerWaalsContact O-N 3.15Å
240E86.4Confident80.5Confident54 Ų5459.6 Ų59.625%0.25233%0.325SS..Hα-helixtrans-67.4-47178.6-167166-149.100111.5N236 K237 E238 T242 R243 E244N236-E240 PolarHBondContact O-N 3.39Å; N236-E240 VanDerWaalsContact O-N 3.17Å; K237-E240 PolarHBondContact O-N 2.73Å; E238-E240 VanDerWaalsContact C-N 3.32Å; E238-E240 PolarHBondContact O-N 3.2Å; E240-T242 PolarHBondContact O-N 3.32Å; E240-R243 PolarHBondContact O-N 2.96Å; E240-E244 WeakPolarHBondContact O-CG 3.41Å; E240-E244 PolarHBondContact O-N 3.47Å
241S90.9Very high82.6Confident2 Ų252.4 Ų52.41%0.01429%0.291CS..Hα-helixtrans-66.4-38.6179.7-570000113.5F224 K237 R243 E244 L245F224-S241 WeakPolarHBondContact CB-OG 3.38Å; F224-S241 WeakPolarHBondContact CD2-OG 3.31Å; K237-S241 PolarHBondContact O-N 2.97Å; K237-S241 PolarHBondContact O-OG 3.32Å; S241-R243 VanDerWaalsContact C-N 3.34Å; S241-E244 PolarHBondContact O-N 3.02Å; S241-L245 PolarHBondContact O-N 3.37Å
242T94.7Very high84.7Confident9 Ų943 Ų436%0.05525%0.251CS..Hα-helixtrans-66.5-36.8175.749.50000111.8I220 E238 L239 E240 L245 L246 Y285 L288I220-T242 HydrophobicContact CD1-CG2 3.83Å; E238-T242 VanDerWaalsContact O-CG2 3.31Å; E238-T242 WeakPolarHBondContact O-CG2 3.3Å; E238-T242 PolarHBondContact O-N 2.84Å; E238-T242 VanDerWaalsContact O-N 3.1Å; E238-T242 PolarHBondContact O-OG1 3.39Å; L239-T242 WeakPolarHBondContact CA-OG1 3.31Å; L239-T242 PolarHBondContact O-OG1 2.9Å; L239-T242 VanDerWaalsContact O-OG1 3.05Å; E240-T242 PolarHBondContact O-N 3.32Å; T242-L245 PolarHBondContact O-N 2.79Å; T242-L246 PolarHBondContact O-N 3.23Å; T242-Y285 HydrophobicContact CG2-CD1 4.03Å; T242-Y285 HydrophobicContact CG2-CE1 4.44Å; T242-L288 HydrophobicContact CG2-CD2 4.16Å
243R95.4Very high87Confident94 Ų9438.9 Ų38.936%0.35522%0.216SC..Hα-helixtrans-68.2-36.9172.7-71.217872.173.99.7112.3F122 L239 E240 S241 L245 L246 G247 D291F122-R243 HydrophobicContact CD1-CB 4.2Å; F122-R243 HydrophobicContact CD1-CG 4.25Å; F122-R243 HydrophobicContact CE1-CG 4.17Å; F122-R243 VanDerWaalsContact CE1-NH1 3.28Å; L239-R243 HydrophobicContact CD1-CG 4.34Å; L239-R243 WeakPolarHBondContact O-CB 3.39Å; L239-R243 WeakPolarHBondContact O-CD 3.14Å; L239-R243 WeakPolarHBondContact O-CG 3.41Å; L239-R243 PolarHBondContact O-N 3.46Å; L239-R243 VanDerWaalsContact O-N 3.15Å; E240-R243 PolarHBondContact O-N 2.96Å; S241-R243 VanDerWaalsContact C-N 3.34Å; R243-L245 VanDerWaalsContact C-N 3.35Å; R243-L246 CarbonylContact O-C 3.59Å; R243-L246 PolarHBondContact O-N 2.99Å; R243-G247 PolarHBondContact O-N 3.18Å; R243-D291 IonicContact NH1-OD2 2.68Å
244E96.1Very high88.9Confident6 Ų636.5 Ų36.53%0.02820%0.199CC..Hα-helixtrans-68.4-31.4175.3-80.2-65.2141.400113T124 T127 R130 I223 I227 E240 S241 G247 E248T124-E244 PolarHBondContact OG1-OE1 2.94Å; T127-E244 WeakPolarHBondContact CA-OE2 3.41Å; T127-E244 WeakPolarHBondContact CB-OE2 3.34Å; T127-E244 PolarHBondContact N-OE1 3.34Å; T127-E244 PolarHBondContact N-OE2 2.9Å; T127-E244 PolarHBondContact OG1-OE1 3.39Å; T127-E244 PolarHBondContact OG1-OE2 3.3Å; R130-E244 IonicContact CZ-OE2 3.56Å; R130-E244 IonicContact NE-OE2 3.74Å; R130-E244 PolarHBondContact NH2-O 2.71Å; R130-E244 IonicContact NH2-OE2 3.61Å; R130-E244 PolarHBondContact NH2-OE2 2.61Å; R130-E244 VanDerWaalsContact NH2-OE2 3.08Å; I223-E244 HydrophobicContact CG2-CB 3.64Å; I227-E244 HydrophobicContact CD1-CB 4.15Å; I227-E244 HydrophobicContact CD1-CG 3.73Å; I227-E244 HydrophobicContact CG1-CG 4.42Å; E240-E244 WeakPolarHBondContact O-CG 3.41Å; E240-E244 PolarHBondContact O-N 3.47Å; S241-E244 PolarHBondContact O-N 3.02Å; E244-G247 PolarHBondContact O-N 3.33Å; E244-E248 PolarHBondContact O-N 3.4Å
245L97.7Very high90.7Very high0 Ų032 Ų320%015%0.153CC..Hα-helixtrans-62.8-43.5168.3179.363.6000111.3L216 T219 I223 S241 T242 R243 E248 F249 I271 L275L216-L245 HydrophobicContact CD1-CD2 3.59Å; T219-L245 HydrophobicContact CG2-CD1 4.37Å; I223-L245 HydrophobicContact CD1-CB 3.82Å; I223-L245 HydrophobicContact CD1-CD1 3.87Å; I223-L245 HydrophobicContact CD1-CG 4.43Å; S241-L245 PolarHBondContact O-N 3.37Å; T242-L245 PolarHBondContact O-N 2.79Å; R243-L245 VanDerWaalsContact C-N 3.35Å; L245-E248 PolarHBondContact O-N 2.69Å; L245-F249 PolarHBondContact O-N 2.92Å; L245-I271 HydrophobicContact CD1-CD1 4.2Å; L245-I271 HydrophobicContact CD1-CG1 4.15Å; L245-I271 HydrophobicContact CD1-CG2 4.09Å; L245-I271 HydrophobicContact CG-CG2 4.34Å; L245-L275 HydrophobicContact CD2-CD2 4.2Å
246L98.4Very high92.4Very high1 Ų126.7 Ų26.71%0.00513%0.125CC..Hα-helixtrans-68.3-34.1174.7-69.1-179.7000113F122 T242 R243 E248 F249 Q250 L288 D291 F292F122-L246 HydrophobicContact CB-CB 4.08Å; F122-L246 HydrophobicContact CD1-CB 3.89Å; F122-L246 HydrophobicContact CD1-CD1 4.06Å; F122-L246 HydrophobicContact CD2-CB 4.27Å; F122-L246 HydrophobicContact CE1-CB 4.41Å; F122-L246 HydrophobicContact CE1-CD1 3.73Å; F122-L246 HydrophobicContact CE2-CD1 4.27Å; F122-L246 HydrophobicContact CG-CB 3.83Å; F122-L246 HydrophobicContact CG-CD1 4.47Å; F122-L246 HydrophobicContact CZ-CD1 3.89Å; T242-L246 PolarHBondContact O-N 3.23Å; R243-L246 CarbonylContact O-C 3.59Å; R243-L246 PolarHBondContact O-N 2.99Å; L246-E248 VanDerWaalsContact C-N 3.32Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 2.93Å; L246-Q250 PolarHBondContact O-N 3.16Å; L246-L288 HydrophobicContact CD1-CD1 3.86Å; L246-L288 HydrophobicContact CD2-CD1 3.91Å; L246-L288 HydrophobicContact CG-CD1 3.66Å; L246-D291 HydrophobicContact CD1-CB 3.41Å; L246-D291 VanDerWaalsContact CD1-CB 3.41Å; L246-F292 HydrophobicContact CD2-CB 4.05Å; L246-F292 HydrophobicContact CD2-CD2 3.99Å; L246-F292 HydrophobicContact CD2-CG 4.45Å
247G98.4Very high93.2Very high0 Ų022.3 Ų22.30%010%0.101CC..Hα-helixtrans-61.8-42.6172.500000111.1F122 R243 E244 Q250 F251F122-G247 VanDerWaalsContact O-CA 3.31Å; F122-G247 WeakPolarHBondContact O-CA 3.42Å; R243-G247 PolarHBondContact O-N 3.18Å; E244-G247 PolarHBondContact O-N 3.33Å; G247-Q250 PolarHBondContact O-N 3.49Å; G247-F251 VanDerWaalsContact O-CB 3.25Å; G247-F251 WeakPolarHBondContact O-CB 3.29Å; G247-F251 PolarHBondContact O-N 3.2Å
248E98.5Very high94Very high0 Ų016.8 Ų16.80%08%0.078CC..Hα-helixtrans-65.7-40.8173.1-175.4169.4164.700112.7R130 L131 F187 T188 E244 L245 L246 Q250 F251 A252 Q267 I271R130-E248 IonicContact CZ-OE2 3.9Å; R130-E248 IonicContact NH1-OE2 3.83Å; R130-E248 PolarHBondContact NH1-OE2 3.28Å; R130-E248 IonicContact NH2-OE2 3.08Å; L131-E248 HydrophobicContact CD1-CB 3.86Å; L131-E248 HydrophobicContact CD1-CG 3.76Å; L131-E248 HydrophobicContact CD2-CG 3.95Å; F187-E248 HydrophobicContact CD1-CG 3.95Å; F187-E248 HydrophobicContact CE1-CG 4.39Å; T188-E248 WeakPolarHBondContact CB-OE1 3.31Å; T188-E248 WeakPolarHBondContact CB-OE2 3.48Å; T188-E248 PolarHBondContact N-OE1 3.21Å; T188-E248 PolarHBondContact OG1-OE2 2.96Å; E244-E248 PolarHBondContact O-N 3.4Å; L245-E248 PolarHBondContact O-N 2.69Å; L246-E248 VanDerWaalsContact C-N 3.32Å; E248-Q250 PolarHBondContact O-N 2.83Å; E248-F251 PolarHBondContact O-N 2.93Å; E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.38Å; E248-A252 PolarHBondContact O-N 3.26Å; E248-Q267 PolarHBondContact OE1-NE2 3.34Å; E248-I271 HydrophobicContact CB-CD1 4.36Å; E248-I271 HydrophobicContact CG-CD1 3.99Å
249F98.6Very high94.5Very high0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-60.1-43.1174.7-177.5-116.2000112.5L245 L246 F253 W268 I271 F272 F292 V295 I296 Q299L245-F249 PolarHBondContact O-N 2.92Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 2.93Å; F249-F253 PolarHBondContact O-N 3.28Å; F249-W268 AromaticContact CD2-CD1 3.6Å; F249-W268 HydrophobicContact CD2-CG 4.19Å; F249-W268 AromaticContact CD2-NE1 3.99Å; F249-W268 AromaticContact CE1-NE1 3.83Å; F249-W268 AromaticContact CE2-CD1 3.21Å; F249-W268 AromaticContact CE2-CD2 3.93Å; F249-W268 HydrophobicContact CE2-CD2 3.93Å; F249-W268 AromaticContact CE2-CE2 3.62Å; F249-W268 AromaticContact CE2-CG 3.71Å; F249-W268 HydrophobicContact CE2-CG 3.71Å; F249-W268 HydrophobicContact CE2-CZ2 4.38Å; F249-W268 AromaticContact CE2-NE1 3.18Å; F249-W268 WeakPolarHBondContact CE2-O 3.24Å; F249-W268 AromaticContact CZ-CD1 3.62Å; F249-W268 HydrophobicContact CZ-CD2 4.34Å; F249-W268 AromaticContact CZ-CE2 3.56Å; F249-W268 HydrophobicContact CZ-CG 4.38Å; F249-W268 HydrophobicContact CZ-CZ2 4.01Å; F249-W268 AromaticContact CZ-NE1 3.08Å; F249-I271 HydrophobicContact CB-CD1 4.16Å; F249-I271 HydrophobicContact CB-CG2 4.04Å; F249-I271 HydrophobicContact CD2-CB 3.86Å; F249-I271 HydrophobicContact CD2-CG2 3.75Å; F249-I271 HydrophobicContact CG-CG2 4.13Å; F249-F272 HydrophobicContact CE2-CB 4.11Å; F249-F272 HydrophobicContact CE2-CD2 4.32Å; F249-F272 AromaticContact CZ-CD2 3.98Å; F249-F272 HydrophobicContact CZ-CD2 3.98Å; F249-F292 HydrophobicContact CD1-CD2 4.23Å; F249-F292 HydrophobicContact CD1-CE2 4.07Å; F249-F292 AromaticContact CE1-CD2 3.96Å; F249-F292 HydrophobicContact CE1-CD2 3.96Å; F249-F292 AromaticContact CE1-CE2 3.56Å; F249-F292 HydrophobicContact CE1-CE2 3.56Å; F249-F292 HydrophobicContact CE2-CE2 4.16Å; F249-F292 HydrophobicContact CZ-CD2 4.46Å; F249-F292 AromaticContact CZ-CE2 3.62Å; F249-F292 HydrophobicContact CZ-CE2 3.62Å; F249-F292 HydrophobicContact CZ-CZ 4.45Å; F249-V295 HydrophobicContact CD1-CG1 3.69Å; F249-V295 HydrophobicContact CE1-CG1 3.75Å; F249-I296 HydrophobicContact CE1-CG1 4.08Å; F249-I296 HydrophobicContact CZ-CG1 4.19Å; F249-Q299 VanDerWaalsContact CE1-OE1 3.26Å
250Q98.3Very high94.7Very high0 Ų011.4 Ų11.40%05%0.051CC..Hα-helixtrans-67.6-42.6174-80.1-170.2-30.300112.5S118 L119 N121 I123 L246 G247 E248 A252 F253 L254 V295S118-Q250 PolarHBondContact O-NE2 3.43Å; L119-Q250 VanDerWaalsContact O-CB 3.32Å; L119-Q250 WeakPolarHBondContact O-CB 3.36Å; L119-Q250 VanDerWaalsContact O-CG 3.31Å; L119-Q250 WeakPolarHBondContact O-CG 3.36Å; L119-Q250 PolarHBondContact O-NE2 3.19Å; N121-Q250 PolarHBondContact OD1-NE2 2.9Å; I123-Q250 HydrophobicContact CD1-CB 4.12Å; I123-Q250 HydrophobicContact CG1-CB 3.94Å; L246-Q250 PolarHBondContact O-N 3.16Å; G247-Q250 PolarHBondContact O-N 3.49Å; E248-Q250 PolarHBondContact O-N 2.83Å; Q250-A252 VanDerWaalsContact C-N 3.34Å; Q250-A252 PolarHBondContact O-N 2.81Å; Q250-F253 WeakPolarHBondContact O-CB 3.38Å; Q250-F253 PolarHBondContact O-N 3.46Å; Q250-L254 WeakPolarHBondContact O-CG 3.49Å; Q250-L254 PolarHBondContact O-N 2.84Å; Q250-V295 HydrophobicContact CG-CG1 3.6Å; Q250-V295 HydrophobicContact CG-CG2 4.37Å
251F98.4Very high94.9Very high0 Ų08.9 Ų8.90%04%0.039CC..Hα-helixtrans-60.1-45.7176.7-179.8-81.5000111F42 I123 L128 L131 V132 L138 V185 F187 G247 E248 F253 L254 N255F42-F251 HydrophobicContact CE2-CD2 4.3Å; F42-F251 HydrophobicContact CE2-CE2 4.22Å; F42-F251 AromaticContact CZ-CD2 3.65Å; F42-F251 HydrophobicContact CZ-CD2 3.65Å; F42-F251 AromaticContact CZ-CE2 3.73Å; F42-F251 HydrophobicContact CZ-CE2 3.73Å; I123-F251 HydrophobicContact CD1-CB 4.07Å; I123-F251 HydrophobicContact CG1-CB 4.41Å; L128-F251 HydrophobicContact CD2-CD2 4.17Å; L128-F251 HydrophobicContact CD2-CE2 4.08Å; L131-F251 HydrophobicContact CB-CD1 4.29Å; L131-F251 HydrophobicContact CB-CE1 4.13Å; L131-F251 HydrophobicContact CB-CE2 4.45Å; L131-F251 HydrophobicContact CB-CZ 4.21Å; L131-F251 HydrophobicContact CD1-CB 3.79Å; L131-F251 HydrophobicContact CD1-CD1 3.79Å; L131-F251 HydrophobicContact CD1-CD2 4.24Å; L131-F251 HydrophobicContact CD1-CE1 4.45Å; L131-F251 HydrophobicContact CD1-CG 3.67Å; V132-F251 HydrophobicContact CG2-CE2 4.01Å; V132-F251 HydrophobicContact CG2-CZ 4.29Å; L138-F251 HydrophobicContact CD1-CE2 4.4Å; L138-F251 HydrophobicContact CD1-CZ 4.14Å; L138-F251 HydrophobicContact CD2-CZ 3.76Å; V185-F251 HydrophobicContact CG1-CE1 3.81Å; V185-F251 HydrophobicContact CG1-CZ 4.48Å; F187-F251 AromaticContact CE1-CD1 3.67Å; F187-F251 HydrophobicContact CE1-CD1 3.67Å; F187-F251 HydrophobicContact CE1-CE1 4.03Å; F187-F251 HydrophobicContact CZ-CD1 4.07Å; F187-F251 HydrophobicContact CZ-CE1 4.12Å; G247-F251 VanDerWaalsContact O-CB 3.25Å; G247-F251 WeakPolarHBondContact O-CB 3.29Å; G247-F251 PolarHBondContact O-N 3.2Å; E248-F251 PolarHBondContact O-N 2.93Å; F251-F253 PolarHBondContact O-N 3.36Å; F251-L254 PolarHBondContact O-N 2.86Å; F251-N255 HydrophobicContact CD1-CB 4.46Å; F251-N255 HydrophobicContact CE1-CB 4.26Å; F251-N255 VanDerWaalsContact O-CB 3.27Å; F251-N255 WeakPolarHBondContact O-CB 3.32Å; F251-N255 PolarHBondContact O-N 3.29Å
252A97.1Very high94.8Very high0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-59.2-46.3178.500000111.5F187 E248 Q250 N255 L256 G264 Q267 W268F187-A252 HydrophobicContact CE1-CB 3.87Å; F187-A252 HydrophobicContact CZ-CB 4.08Å; E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.38Å; E248-A252 PolarHBondContact O-N 3.26Å; Q250-A252 VanDerWaalsContact C-N 3.34Å; Q250-A252 PolarHBondContact O-N 2.81Å; A252-N255 PolarHBondContact O-N 3.02Å; A252-L256 PolarHBondContact O-N 3.2Å; A252-L256 VanDerWaalsContact O-N 3.09Å; A252-G264 CarbonylContact C-O 3.59Å; A252-G264 WeakPolarHBondContact CB-O 3.23Å; A252-G264 CarbonylContact O-C 3.51Å; A252-G264 WeakPolarHBondContact O-CA 3.49Å; A252-Q267 HydrophobicContact CB-CB 4.12Å; A252-Q267 HydrophobicContact CB-CG 4.31Å; A252-W268 HydrophobicContact CB-CB 4.02Å
253F95.8Very high94.6Very high2 Ų214.1 Ų14.11%0.0096%0.064CC..Hα-helixtrans-57.6-50.4173.4178-97000112.4L119 F249 Q250 F251 N255 L256 L257 W268 Q299 F321L119-F253 HydrophobicContact CD1-CE1 4.36Å; L119-F253 HydrophobicContact CD2-CD1 4.45Å; L119-F253 HydrophobicContact CD2-CE1 3.94Å; F249-F253 PolarHBondContact O-N 3.28Å; Q250-F253 WeakPolarHBondContact O-CB 3.38Å; Q250-F253 PolarHBondContact O-N 3.46Å; F251-F253 PolarHBondContact O-N 3.36Å; F253-N255 VanDerWaalsContact C-N 3.31Å; F253-N255 PolarHBondContact O-N 2.87Å; F253-L256 PolarHBondContact O-N 2.64Å; F253-L257 HydrophobicContact CE1-CD2 3.71Å; F253-L257 HydrophobicContact CZ-CD2 4.14Å; F253-L257 WeakPolarHBondContact O-CB 3.43Å; F253-L257 PolarHBondContact O-N 3.03Å; F253-W268 AromaticContact CD2-NE1 3.92Å; F253-Q299 HydrophobicContact CD1-CG 3.85Å; F253-Q299 HydrophobicContact CD2-CB 4.1Å; F253-Q299 HydrophobicContact CD2-CG 3.9Å; F253-Q299 HydrophobicContact CE1-CB 4.33Å; F253-Q299 HydrophobicContact CE1-CG 3.98Å; F253-Q299 HydrophobicContact CE2-CB 3.82Å; F253-Q299 HydrophobicContact CE2-CG 4.05Å; F253-Q299 HydrophobicContact CG-CB 4.49Å; F253-Q299 HydrophobicContact CG-CG 3.81Å; F253-Q299 HydrophobicContact CZ-CB 3.95Å; F253-Q299 HydrophobicContact CZ-CG 4.09Å; F253-F321 AromaticContact CD2-CE1 3.97Å; F253-F321 HydrophobicContact CD2-CE1 3.97Å; F253-F321 AromaticContact CD2-CE2 3.93Å; F253-F321 HydrophobicContact CD2-CE2 3.93Å; F253-F321 AromaticContact CD2-CZ 3.36Å; F253-F321 HydrophobicContact CD2-CZ 3.36Å; F253-F321 HydrophobicContact CE2-CD2 4.31Å; F253-F321 HydrophobicContact CE2-CE1 4.22Å; F253-F321 AromaticContact CE2-CE2 3.56Å; F253-F321 HydrophobicContact CE2-CE2 3.56Å; F253-F321 AromaticContact CE2-CZ 3.5Å; F253-F321 HydrophobicContact CE2-CZ 3.5Å; F253-F321 HydrophobicContact CG-CZ 4.47Å; F253-F321 HydrophobicContact CZ-CE2 4.5Å
254L95.2Very high94.5Very high0 Ų09.6 Ų9.60%05%0.047CC..Hα-helixtrans-68.5-30.7-179-71.2175.8000112.4F42 W116 L119 I123 Q250 F251 L257 L258F42-L254 HydrophobicContact CD2-CB 4.32Å; F42-L254 HydrophobicContact CE2-CB 4.01Å; W116-L254 HydrophobicContact CE3-CD1 4.47Å; W116-L254 HydrophobicContact CH2-CD1 3.71Å; W116-L254 HydrophobicContact CZ3-CD1 3.55Å; W116-L254 HydrophobicContact CZ3-CD2 3.89Å; W116-L254 HydrophobicContact CZ3-CG 4.32Å; L119-L254 HydrophobicContact CB-CD2 4.08Å; L119-L254 HydrophobicContact CD1-CD2 4.33Å; I123-L254 HydrophobicContact CD1-CD1 3.72Å; Q250-L254 WeakPolarHBondContact O-CG 3.49Å; Q250-L254 PolarHBondContact O-N 2.84Å; F251-L254 PolarHBondContact O-N 2.86Å; L254-L257 HydrophobicContact CD2-CD2 4.36Å; L254-L257 PolarHBondContact O-N 3.25Å; L254-L258 HydrophobicContact CB-CD1 4.47Å; L254-L258 HydrophobicContact CD2-CD1 4.19Å; L254-L258 HydrophobicContact CD2-CG 4.5Å; L254-L258 VanDerWaalsContact O-CB 3.22Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 2.98Å
255N94.6Very high94.3Very high0 Ų011.8 Ų11.80%06%0.055CC..Hα-helixtrans-68.9-37.3176.3-160.842.8000111.5F251 A252 F253 N259 H260 S261F251-N255 HydrophobicContact CD1-CB 4.46Å; F251-N255 HydrophobicContact CE1-CB 4.26Å; F251-N255 VanDerWaalsContact O-CB 3.27Å; F251-N255 WeakPolarHBondContact O-CB 3.32Å; F251-N255 PolarHBondContact O-N 3.29Å; A252-N255 PolarHBondContact O-N 3.02Å; F253-N255 VanDerWaalsContact C-N 3.31Å; F253-N255 PolarHBondContact O-N 2.87Å; N255-N259 CarbonylContact O-C 3.46Å; N255-N259 WeakPolarHBondContact O-CA 3.34Å; N255-N259 WeakPolarHBondContact O-CB 3.31Å; N255-N259 PolarHBondContact O-N 3.45Å; N255-N259 VanDerWaalsContact O-N 3.12Å; N255-N259 PolarHBondContact OD1-ND2 3.05Å; N255-H260 PolarHBondContact O-N 2.92Å; N255-S261 WeakPolarHBondContact ND2-CB 3.26Å; N255-S261 PolarHBondContact ND2-OG 3.47Å; N255-S261 PolarHBondContact O-N 2.93Å
256L92Very high94Very high2 Ų217 Ų171%0.018%0.08CC..Hα-helixtrans-65.9-54.5168.7178.764.7000110.9A252 F253 L258 H260 S261 W265 F321A252-L256 PolarHBondContact O-N 3.2Å; A252-L256 VanDerWaalsContact O-N 3.09Å; F253-L256 PolarHBondContact O-N 2.64Å; L256-L258 PolarHBondContact O-N 3.31Å; L256-H260 WeakPolarHBondContact O-CA 3.43Å; L256-H260 PolarHBondContact O-N 3.49Å; L256-S261 WeakPolarHBondContact CD1-O 3.41Å; L256-W265 HydrophobicContact CD1-CB 3.93Å; L256-W265 HydrophobicContact CD2-CB 3.61Å; L256-W265 HydrophobicContact CD2-CG 4.02Å; L256-W265 HydrophobicContact CG-CB 4.2Å; L256-F321 HydrophobicContact CD2-CD2 4.45Å; L256-F321 HydrophobicContact CD2-CE1 4.03Å; L256-F321 HydrophobicContact CD2-CE2 3.57Å; L256-F321 HydrophobicContact CD2-CZ 3.32Å; L256-F321 HydrophobicContact CG-CZ 4.45Å
257L90.7Very high93.9Very high14 Ų1417.9 Ų17.97%0.0738%0.084CC..Hα-helixtrans-60.9-41.8-172.4179.159.9000112.8L21 F253 L254 L318L21-L257 HydrophobicContact CD2-CD2 4.17Å; F253-L257 HydrophobicContact CE1-CD2 3.71Å; F253-L257 HydrophobicContact CZ-CD2 4.14Å; F253-L257 WeakPolarHBondContact O-CB 3.43Å; F253-L257 PolarHBondContact O-N 3.03Å; L254-L257 HydrophobicContact CD2-CD2 4.36Å; L254-L257 PolarHBondContact O-N 3.25Å; L257-L318 HydrophobicContact CD1-CD1 3.8Å; L257-L318 HydrophobicContact CD1-CD2 3.63Å; L257-L318 HydrophobicContact CD1-CG 3.83Å
258L91.7Very high93.7Very high7 Ų718 Ų184%0.0378%0.084CC..Hα-helixtrans-102.2-39.7-169.8-55.5-176.3000113.1D20 L21 F42 Y44 R57 W116 L254 L256D20-L258 WeakPolarHBondContact O-CD1 3.49Å; D20-L258 WeakPolarHBondContact O-CD2 3.43Å; L21-L258 HydrophobicContact CD2-CD2 4.45Å; F42-L258 HydrophobicContact CB-CD1 3.76Å; F42-L258 HydrophobicContact CD2-CD1 4.07Å; F42-L258 HydrophobicContact CG-CD1 4.28Å; Y44-L258 HydrophobicContact CD1-CB 3.87Å; Y44-L258 HydrophobicContact CD1-CD1 4.46Å; Y44-L258 HydrophobicContact CE1-CB 3.93Å; Y44-L258 HydrophobicContact CE1-CD1 4.15Å; Y44-L258 HydrophobicContact CE1-CD2 3.91Å; Y44-L258 HydrophobicContact CE1-CG 4.21Å; Y44-L258 HydrophobicContact CG-CB 4.46Å; R57-L258 WeakPolarHBondContact CD-O 3.41Å; W116-L258 HydrophobicContact CZ3-CD1 4.02Å; L254-L258 HydrophobicContact CB-CD1 4.47Å; L254-L258 HydrophobicContact CD2-CD1 4.19Å; L254-L258 HydrophobicContact CD2-CG 4.5Å; L254-L258 VanDerWaalsContact O-CB 3.22Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 2.98Å; L256-L258 PolarHBondContact O-N 3.31Å
259N90.7Very high93.5Very high1 Ų119.6 Ų19.61%0.0059%0.09CC..Hα-helixtrans-100.9-3.5-177.8-59.2-54000113.2G59 L138 S140 N255 S261G59-N259 WeakPolarHBondContact CA-OD1 3.4Å; L138-N259 WeakPolarHBondContact CD1-ND2 3.31Å; S140-N259 WeakPolarHBondContact CA-O 3.27Å; S140-N259 WeakPolarHBondContact CB-O 3.36Å; N255-N259 CarbonylContact O-C 3.46Å; N255-N259 WeakPolarHBondContact O-CA 3.34Å; N255-N259 WeakPolarHBondContact O-CB 3.31Å; N255-N259 PolarHBondContact O-N 3.45Å; N255-N259 VanDerWaalsContact O-N 3.12Å; N255-N259 PolarHBondContact OD1-ND2 3.05Å; N259-S261 PolarHBondContact O-N 3.32Å
260H89.4Confident93.3Very high47 Ų4721.1 Ų21.122%0.21810%0.096CC..  trans59.832.6-179.6-53.4-178.8000112.6N255 L256 L317N255-H260 PolarHBondContact O-N 2.92Å; L256-H260 WeakPolarHBondContact O-CA 3.43Å; L256-H260 PolarHBondContact O-N 3.49Å; H260-L317 HydrophobicContact CB-CD1 3.6Å; H260-L317 WeakPolarHBondContact CD2-CD1 3.05Å
261S90.3Very high93.3Very high2 Ų221.1 Ų21.11%0.01410%0.096CC..  trans-86.8117.6179.1174.50000111S140 N255 L256 N259 E263 G264S140-S261 WeakPolarHBondContact O-CA 3.37Å; N255-S261 WeakPolarHBondContact ND2-CB 3.26Å; N255-S261 PolarHBondContact ND2-OG 3.47Å; N255-S261 PolarHBondContact O-N 2.93Å; L256-S261 WeakPolarHBondContact CD1-O 3.41Å; N259-S261 PolarHBondContact O-N 3.32Å; S261-E263 VanDerWaalsContact C-N 3.27Å; S261-E263 PolarHBondContact O-N 3.32Å; S261-G264 PolarHBondContact O-N 3.1Å; S261-G264 VanDerWaalsContact O-N 3.13Å
262I89.1Confident93.2Very high78 Ų7821.1 Ų21.140%0.410%0.096SC..Hα-helixtrans-66.4-29.9176.4-163.365.5000112.2G264 W265 E266I262-G264 PolarHBondContact O-N 3.37Å; I262-W265 HydrophobicContact CD1-CB 4.13Å; I262-W265 HydrophobicContact CD1-CD2 4.17Å; I262-W265 HydrophobicContact CD1-CE3 3.83Å; I262-W265 HydrophobicContact CD1-CG 4.35Å; I262-W265 HydrophobicContact CG1-CE3 4.28Å; I262-W265 WeakPolarHBondContact O-CA 3.5Å; I262-W265 VanDerWaalsContact O-CB 3.3Å; I262-W265 WeakPolarHBondContact O-CB 3.42Å; I262-W265 PolarHBondContact O-N 3.13Å; I262-E266 PolarHBondContact O-N 3.25Å
263E90.9Very high93.2Very high42 Ų4222.3 Ų22.320%0.19610%0.102CC..Hα-helixtrans-59.2-34.3173.1-59.9177.7166.800111.1F187 S261 W265 E266 Q267F187-E263 HydrophobicContact CE2-CB 4.17Å; S261-E263 VanDerWaalsContact C-N 3.27Å; S261-E263 PolarHBondContact O-N 3.32Å; E263-W265 VanDerWaalsContact C-N 3.33Å; E263-E266 PolarHBondContact O-N 3.2Å; E263-Q267 WeakPolarHBondContact O-CB 3.34Å; E263-Q267 PolarHBondContact O-N 3.47Å
264G93.4Very high93.2Very high0 Ų022.2 Ų22.20%010%0.101CC..Hα-helixtrans-63.7-37.4172.500000112.8A252 S261 I262 W268A252-G264 CarbonylContact C-O 3.59Å; A252-G264 WeakPolarHBondContact CB-O 3.23Å; A252-G264 CarbonylContact O-C 3.51Å; A252-G264 WeakPolarHBondContact O-CA 3.49Å; S261-G264 PolarHBondContact O-N 3.1Å; S261-G264 VanDerWaalsContact O-N 3.13Å; I262-G264 PolarHBondContact O-N 3.37Å; G264-W268 WeakPolarHBondContact O-CB 3.41Å; G264-W268 PolarHBondContact O-N 3.11Å
265W90.6Very high93.4Very high51 Ų5122.2 Ų22.219%0.19310%0.101CC..Hα-helixtrans-69.4-44.9175.3175.581.4000112.4L256 I262 E263 Q267 W268 R269 I320L256-W265 HydrophobicContact CD1-CB 3.93Å; L256-W265 HydrophobicContact CD2-CB 3.61Å; L256-W265 HydrophobicContact CD2-CG 4.02Å; L256-W265 HydrophobicContact CG-CB 4.2Å; I262-W265 HydrophobicContact CD1-CB 4.13Å; I262-W265 HydrophobicContact CD1-CD2 4.17Å; I262-W265 HydrophobicContact CD1-CE3 3.83Å; I262-W265 HydrophobicContact CD1-CG 4.35Å; I262-W265 HydrophobicContact CG1-CE3 4.28Å; I262-W265 WeakPolarHBondContact O-CA 3.5Å; I262-W265 VanDerWaalsContact O-CB 3.3Å; I262-W265 WeakPolarHBondContact O-CB 3.42Å; I262-W265 PolarHBondContact O-N 3.13Å; E263-W265 VanDerWaalsContact C-N 3.33Å; W265-Q267 PolarHBondContact O-N 3.44Å; W265-W268 PolarHBondContact O-N 3.44Å; W265-R269 HydrophobicContact CD2-CG 4.5Å; W265-R269 PolarHBondContact O-N 2.91Å; W265-I320 HydrophobicContact CD2-CG2 4.37Å; W265-I320 HydrophobicContact CG-CG2 4.49Å; W265-I320 HydrophobicContact CZ2-CG2 3.86Å; W265-I320 VanDerWaalsContact NE1-CG2 3.3Å
266E92.1Very high93.5Very high109 Ų10922.2 Ų22.251%0.50910%0.101SC..Hα-helixtrans-58.9-48.4178.3-67.7176.9165.200110.8I262 E263 W268 R269 R270I262-E266 PolarHBondContact O-N 3.25Å; E263-E266 PolarHBondContact O-N 3.2Å; E266-W268 PolarHBondContact O-N 3Å; E266-R269 PolarHBondContact O-N 2.85Å; E266-R270 WeakPolarHBondContact O-CB 3.35Å; E266-R270 PolarHBondContact O-N 2.91Å
267Q95.7Very high93.7Very high21 Ų2122.1 Ų22.110%0.09810%0.101CC..Hα-helixtrans-66.8-39.7179.4-171.967.7-6.300112.2F187 T188 E248 A252 E263 W265 R269 R270 I271F187-Q267 HydrophobicContact CB-CG 4.05Å; F187-Q267 HydrophobicContact CD1-CB 4.08Å; F187-Q267 HydrophobicContact CD1-CG 3.58Å; F187-Q267 HydrophobicContact CD2-CB 4.03Å; F187-Q267 HydrophobicContact CD2-CG 4.3Å; F187-Q267 HydrophobicContact CE1-CB 4.14Å; F187-Q267 HydrophobicContact CE1-CG 3.98Å; F187-Q267 HydrophobicContact CE2-CB 4.13Å; F187-Q267 HydrophobicContact CG-CB 4.01Å; F187-Q267 HydrophobicContact CG-CG 3.74Å; F187-Q267 HydrophobicContact CZ-CB 4.18Å; T188-Q267 PolarHBondContact O-NE2 3.3Å; E248-Q267 PolarHBondContact OE1-NE2 3.34Å; A252-Q267 HydrophobicContact CB-CB 4.12Å; A252-Q267 HydrophobicContact CB-CG 4.31Å; E263-Q267 WeakPolarHBondContact O-CB 3.34Å; E263-Q267 PolarHBondContact O-N 3.47Å; W265-Q267 PolarHBondContact O-N 3.44Å; Q267-R269 VanDerWaalsContact C-N 3.35Å; Q267-R269 PolarHBondContact O-N 2.97Å; Q267-R270 PolarHBondContact O-N 2.93Å; Q267-I271 HydrophobicContact CG-CD1 3.97Å; Q267-I271 HydrophobicContact CG-CG1 4.47Å; Q267-I271 WeakPolarHBondContact O-CG1 3.15Å; Q267-I271 PolarHBondContact O-N 3.39Å
268W95.6Very high94Very high2 Ų221.5 Ų21.51%0.00810%0.097CC..Hα-helixtrans-58.8-47.2175.1-179.891000111.1F249 A252 F253 G264 W265 E266 R270 F272 F321 F339 L340F249-W268 AromaticContact CD2-CD1 3.6Å; F249-W268 HydrophobicContact CD2-CG 4.19Å; F249-W268 AromaticContact CD2-NE1 3.99Å; F249-W268 AromaticContact CE1-NE1 3.83Å; F249-W268 AromaticContact CE2-CD1 3.21Å; F249-W268 AromaticContact CE2-CD2 3.93Å; F249-W268 HydrophobicContact CE2-CD2 3.93Å; F249-W268 AromaticContact CE2-CE2 3.62Å; F249-W268 AromaticContact CE2-CG 3.71Å; F249-W268 HydrophobicContact CE2-CG 3.71Å; F249-W268 HydrophobicContact CE2-CZ2 4.38Å; F249-W268 AromaticContact CE2-NE1 3.18Å; F249-W268 WeakPolarHBondContact CE2-O 3.24Å; F249-W268 AromaticContact CZ-CD1 3.62Å; F249-W268 HydrophobicContact CZ-CD2 4.34Å; F249-W268 AromaticContact CZ-CE2 3.56Å; F249-W268 HydrophobicContact CZ-CG 4.38Å; F249-W268 HydrophobicContact CZ-CZ2 4.01Å; F249-W268 AromaticContact CZ-NE1 3.08Å; A252-W268 HydrophobicContact CB-CB 4.02Å; F253-W268 AromaticContact CD2-NE1 3.92Å; G264-W268 WeakPolarHBondContact O-CB 3.41Å; G264-W268 PolarHBondContact O-N 3.11Å; W265-W268 PolarHBondContact O-N 3.44Å; E266-W268 PolarHBondContact O-N 3Å; W268-R270 PolarHBondContact O-N 3.02Å; W268-F272 AromaticContact CH2-CD2 3.67Å; W268-F272 HydrophobicContact CH2-CD2 3.67Å; W268-F272 HydrophobicContact CH2-CE2 4.11Å; W268-F272 AromaticContact CZ2-CD2 3.72Å; W268-F272 HydrophobicContact CZ2-CD2 3.72Å; W268-F272 HydrophobicContact CZ2-CE2 4.17Å; W268-F272 HydrophobicContact CZ3-CD2 4.32Å; W268-F272 WeakPolarHBondContact O-CB 3.22Å; W268-F272 PolarHBondContact O-N 2.65Å; W268-F321 HydrophobicContact CD2-CD1 4.34Å; W268-F321 AromaticContact CD2-CE1 3.67Å; W268-F321 HydrophobicContact CD2-CE1 3.67Å; W268-F321 AromaticContact CE2-CE1 3.89Å; W268-F321 AromaticContact CE3-CD1 3.98Å; W268-F321 HydrophobicContact CE3-CD1 3.98Å; W268-F321 AromaticContact CE3-CE1 3.66Å; W268-F321 HydrophobicContact CE3-CE1 3.66Å; W268-F321 HydrophobicContact CG-CE1 4.27Å; W268-F321 AromaticContact CH2-CD1 3.85Å; W268-F321 HydrophobicContact CH2-CD1 3.85Å; W268-F321 HydrophobicContact CH2-CE1 4.13Å; W268-F321 HydrophobicContact CZ2-CD1 4.2Å; W268-F321 HydrophobicContact CZ2-CE1 4.13Å; W268-F321 AromaticContact CZ3-CD1 3.72Å; W268-F321 HydrophobicContact CZ3-CD1 3.72Å; W268-F321 AromaticContact CZ3-CE1 3.89Å; W268-F321 HydrophobicContact CZ3-CE1 3.89Å; W268-F339 HydrophobicContact CE3-CE1 4.46Å; W268-F339 HydrophobicContact CH2-CE1 4.31Å; W268-F339 HydrophobicContact CZ3-CD1 4.25Å; W268-F339 AromaticContact CZ3-CE1 3.65Å; W268-F339 HydrophobicContact CZ3-CE1 3.65Å; W268-L340 HydrophobicContact CH2-CD2 3.7Å
269R93.4Very high94.1Very high34 Ų3424.6 Ų24.613%0.12811%0.112CC..Hα-helixtrans-61.6-44.6175.9-77.8-161.1169.2-158.73.5111.6W265 E266 Q267 I271 F272 Q273 F339 D419W265-R269 HydrophobicContact CD2-CG 4.5Å; W265-R269 PolarHBondContact O-N 2.91Å; E266-R269 PolarHBondContact O-N 2.85Å; Q267-R269 VanDerWaalsContact C-N 3.35Å; Q267-R269 PolarHBondContact O-N 2.97Å; R269-I271 PolarHBondContact O-N 2.88Å; R269-F272 PolarHBondContact O-N 2.82Å; R269-Q273 WeakPolarHBondContact O-CB 3.22Å; R269-Q273 PolarHBondContact O-N 3.01Å; R269-F339 HydrophobicContact CB-CE1 4.28Å; R269-F339 HydrophobicContact CB-CE2 4.02Å; R269-F339 HydrophobicContact CB-CZ 3.69Å; R269-F339 HydrophobicContact CG-CD1 4.21Å; R269-F339 HydrophobicContact CG-CD2 4.47Å; R269-F339 HydrophobicContact CG-CE1 3.76Å; R269-F339 HydrophobicContact CG-CE2 4.02Å; R269-F339 HydrophobicContact CG-CZ 3.64Å; R269-D419 IonicContact NH1-OD2 3.8Å; R269-D419 PolarHBondContact NH1-OD2 3.44Å
270R95.2Very high94.3Very high31 Ų3130.3 Ų30.312%0.11714%0.136CC..Hα-helixtrans-59.9-46.1-178.3-167.572.8-160.1133.82112I190 P191 T192 E266 Q267 W268 L274I190-R270 HydrophobicContact CB-CG 3.75Å; I190-R270 HydrophobicContact CD1-CG 4.14Å; I190-R270 HydrophobicContact CG2-CG 3.73Å; P191-R270 PolarHBondContact O-NE 3.29Å; P191-R270 PolarHBondContact O-NH2 3.23Å; T192-R270 VanDerWaalsContact C-NH2 3.26Å; T192-R270 PolarHBondContact O-NH2 3.39Å; E266-R270 WeakPolarHBondContact O-CB 3.35Å; E266-R270 PolarHBondContact O-N 2.91Å; Q267-R270 PolarHBondContact O-N 2.93Å; W268-R270 PolarHBondContact O-N 3.02Å; R270-L274 WeakPolarHBondContact O-CB 3.49Å; R270-L274 PolarHBondContact O-N 3.27Å
271I97.8Very high94.7Very high0 Ų028 Ų280%013%0.126CC..Hα-helixtrans-66.4-43177-65.4167.6000110.7I190 L245 E248 F249 Q267 R269 L274 L275I190-I271 HydrophobicContact CD1-CD1 4.44Å; I190-I271 HydrophobicContact CD1-CG1 3.45Å; I190-I271 VanDerWaalsContact CD1-CG1 3.45Å; L245-I271 HydrophobicContact CD1-CD1 4.2Å; L245-I271 HydrophobicContact CD1-CG1 4.15Å; L245-I271 HydrophobicContact CD1-CG2 4.09Å; L245-I271 HydrophobicContact CG-CG2 4.34Å; E248-I271 HydrophobicContact CB-CD1 4.36Å; E248-I271 HydrophobicContact CG-CD1 3.99Å; F249-I271 HydrophobicContact CB-CD1 4.16Å; F249-I271 HydrophobicContact CB-CG2 4.04Å; F249-I271 HydrophobicContact CD2-CB 3.86Å; F249-I271 HydrophobicContact CD2-CG2 3.75Å; F249-I271 HydrophobicContact CG-CG2 4.13Å; Q267-I271 HydrophobicContact CG-CD1 3.97Å; Q267-I271 HydrophobicContact CG-CG1 4.47Å; Q267-I271 WeakPolarHBondContact O-CG1 3.15Å; Q267-I271 PolarHBondContact O-N 3.39Å; R269-I271 PolarHBondContact O-N 2.88Å; I271-L274 PolarHBondContact O-N 2.9Å; I271-L275 HydrophobicContact CG2-CD1 3.91Å; I271-L275 HydrophobicContact CG2-CG 4.38Å; I271-L275 WeakPolarHBondContact O-CG 3.28Å; I271-L275 PolarHBondContact O-N 3.29Å
272F96.8Very high95Very high0 Ų028 Ų280%013%0.126CC..Hα-helixtrans-58.7-53.1178-162.1-52.6000110.7F249 W268 R269 L274 L275 A276 F292 I296 F339 L340 M343 I344F249-F272 HydrophobicContact CE2-CB 4.11Å; F249-F272 HydrophobicContact CE2-CD2 4.32Å; F249-F272 AromaticContact CZ-CD2 3.98Å; F249-F272 HydrophobicContact CZ-CD2 3.98Å; W268-F272 AromaticContact CH2-CD2 3.67Å; W268-F272 HydrophobicContact CH2-CD2 3.67Å; W268-F272 HydrophobicContact CH2-CE2 4.11Å; W268-F272 AromaticContact CZ2-CD2 3.72Å; W268-F272 HydrophobicContact CZ2-CD2 3.72Å; W268-F272 HydrophobicContact CZ2-CE2 4.17Å; W268-F272 HydrophobicContact CZ3-CD2 4.32Å; W268-F272 WeakPolarHBondContact O-CB 3.22Å; W268-F272 PolarHBondContact O-N 2.65Å; R269-F272 PolarHBondContact O-N 2.82Å; F272-L274 VanDerWaalsContact C-N 3.3Å; F272-L274 PolarHBondContact O-N 3.4Å; F272-L275 PolarHBondContact O-N 3.5Å; F272-A276 HydrophobicContact CD1-CB 4.26Å; F272-A276 HydrophobicContact CE1-CB 4.38Å; F272-A276 WeakPolarHBondContact O-CB 3.39Å; F272-A276 PolarHBondContact O-N 2.92Å; F272-F292 HydrophobicContact CB-CZ 4.45Å; F272-F292 HydrophobicContact CD1-CZ 4.13Å; F272-F292 HydrophobicContact CD2-CZ 4.17Å; F272-F292 HydrophobicContact CE1-CZ 4.36Å; F272-F292 HydrophobicContact CE2-CZ 4.44Å; F272-F292 AromaticContact CG-CZ 3.99Å; F272-F292 HydrophobicContact CG-CZ 3.99Å; F272-I296 HydrophobicContact CD2-CD1 4.23Å; F272-I296 HydrophobicContact CD2-CG1 4.36Å; F272-I296 HydrophobicContact CE1-CD1 4.44Å; F272-I296 HydrophobicContact CE2-CD1 3.52Å; F272-I296 HydrophobicContact CE2-CG1 3.78Å; F272-I296 HydrophobicContact CE2-CG2 4.07Å; F272-I296 HydrophobicContact CZ-CD1 3.63Å; F272-I296 HydrophobicContact CZ-CG1 4.37Å; F272-F339 HydrophobicContact CB-CE1 4.46Å; F272-F339 HydrophobicContact CB-CZ 4.23Å; F272-F339 HydrophobicContact CG-CE1 4.45Å; F272-L340 HydrophobicContact CE2-CD2 4.11Å; F272-M343 HydrophobicContact CD1-CB 3.54Å; F272-M343 HydrophobicContact CD1-CG 4.22Å; F272-M343 HydrophobicContact CE1-CB 3.41Å; F272-M343 VanDerWaalsContact CE1-CB 3.41Å; F272-M343 HydrophobicContact CZ-CB 4.32Å; F272-I344 HydrophobicContact CZ-CG1 3.8Å
273Q95.6Very high95.2Very high25 Ų2526.6 Ų26.612%0.11712%0.12CC..Hα-helixtrans-58.6-42.3-178.9-174-17618.200111.3R269 S277 M343 D417R269-Q273 WeakPolarHBondContact O-CB 3.22Å; R269-Q273 PolarHBondContact O-N 3.01Å; Q273-S277 VanDerWaalsContact O-CB 3.24Å; Q273-S277 WeakPolarHBondContact O-CB 3.12Å; Q273-S277 PolarHBondContact O-N 3.26Å; Q273-S277 PolarHBondContact O-OG 2.9Å; Q273-M343 HydrophobicContact CB-SD 4.01Å; Q273-M343 HydrophobicContact CG-SD 3.82Å; Q273-D417 PolarHBondContact NE2-OD1 3.42Å; Q273-D417 VanDerWaalsContact NE2-OD1 3.14Å; Q273-D417 PolarHBondContact NE2-OD2 3.1Å
274L97.5Very high95.3Very high0 Ų027.7 Ų27.70%013%0.128CC..Hα-helixtrans-60.2-53.1176.217859.4000111.3I190 Q212 T215 L216 R270 I271 F272 A276 S277 C278I190-L274 HydrophobicContact CD1-CD2 4.5Å; I190-L274 HydrophobicContact CG2-CD2 4.01Å; Q212-L274 HydrophobicContact CB-CD1 3.92Å; T215-L274 HydrophobicContact CG2-CD1 3.92Å; L216-L274 HydrophobicContact CB-CD1 4.27Å; L216-L274 HydrophobicContact CB-CD2 4.44Å; L216-L274 HydrophobicContact CB-CG 4.32Å; L216-L274 HydrophobicContact CD1-CD2 4.14Å; L216-L274 HydrophobicContact CD1-CG 4.39Å; R270-L274 WeakPolarHBondContact O-CB 3.49Å; R270-L274 PolarHBondContact O-N 3.27Å; I271-L274 PolarHBondContact O-N 2.9Å; F272-L274 VanDerWaalsContact C-N 3.3Å; F272-L274 PolarHBondContact O-N 3.4Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.94Å; L274-S277 PolarHBondContact O-N 3.38Å; L274-C278 PolarHBondContact O-N 3.41Å; L274-C278 PolarHBondContact O-SG 3.09Å
275L98.1Very high95.3Very high1 Ų129.2 Ų29.21%0.00513%0.134CC..Hα-helixtrans-63.8-38.9-178.8-69.9174.9000112.5L216 L245 I271 F272 S277 C278 L288 Y289 F292L216-L275 HydrophobicContact CD1-CD2 3.81Å; L216-L275 HydrophobicContact CD2-CD2 3.97Å; L245-L275 HydrophobicContact CD2-CD2 4.2Å; I271-L275 HydrophobicContact CG2-CD1 3.91Å; I271-L275 HydrophobicContact CG2-CG 4.38Å; I271-L275 WeakPolarHBondContact O-CG 3.28Å; I271-L275 PolarHBondContact O-N 3.29Å; F272-L275 PolarHBondContact O-N 3.5Å; L275-S277 PolarHBondContact O-N 3Å; L275-C278 PolarHBondContact O-N 3.36Å; L275-L288 HydrophobicContact CD2-CD2 3.87Å; L275-L288 HydrophobicContact CD2-CG 4.41Å; L275-Y289 WeakPolarHBondContact O-CE1 3.03Å; L275-Y289 PolarHBondContact O-OH 3.27Å; L275-F292 HydrophobicContact CB-CD1 4.16Å; L275-F292 HydrophobicContact CB-CE1 3.67Å; L275-F292 HydrophobicContact CB-CZ 3.93Å; L275-F292 HydrophobicContact CD1-CD1 3.98Å; L275-F292 HydrophobicContact CD1-CD2 3.62Å; L275-F292 HydrophobicContact CD1-CE1 3.94Å; L275-F292 HydrophobicContact CD1-CE2 3.58Å; L275-F292 HydrophobicContact CD1-CG 3.82Å; L275-F292 HydrophobicContact CD1-CZ 3.74Å; L275-F292 HydrophobicContact CG-CE1 4.47Å; L275-F292 HydrophobicContact CG-CZ 4.48Å
276A96.6Very high95.5Very high0 Ų027.2 Ų27.20%013%0.128CC..Hα-helixtrans-66.2-21.4174.400000112.8F272 L274 M343 R346 L347 N350F272-A276 HydrophobicContact CD1-CB 4.26Å; F272-A276 HydrophobicContact CE1-CB 4.38Å; F272-A276 WeakPolarHBondContact O-CB 3.39Å; F272-A276 PolarHBondContact O-N 2.92Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.94Å; A276-M343 HydrophobicContact CB-CB 4.48Å; A276-M343 HydrophobicContact CB-SD 4.37Å; A276-R346 WeakPolarHBondContact O-CG 3.42Å; A276-L347 HydrophobicContact CB-CB 4.12Å; A276-N350 PolarHBondContact O-ND2 3.33Å
277S96.3Very high95.7Very high0 Ų025.8 Ų25.80%012%0.123CC..THydrogen-bonded Turntrans-97.18-178-57.30000114.6Q212 Q273 L274 L275 R346Q212-S277 PolarHBondContact N-O 2.94Å; Q273-S277 VanDerWaalsContact O-CB 3.24Å; Q273-S277 WeakPolarHBondContact O-CB 3.12Å; Q273-S277 PolarHBondContact O-N 3.26Å; Q273-S277 PolarHBondContact O-OG 2.9Å; L274-S277 PolarHBondContact O-N 3.38Å; L275-S277 PolarHBondContact O-N 3Å; S277-R346 PolarHBondContact OG-NE 3.09Å; S277-R346 PolarHBondContact OG-NH1 2.81Å
278C96.7Very high95.7Very high0 Ų025 Ų250%012%0.12CC..  trans-114.4100.9-179.1-58.50000111.1D211 Q212 T213 L216 L274 L275 A281 Y289D211-C278 WeakPolarHBondContact OD1-CA 3.43Å; Q212-C278 PolarHBondContact O-SG 3.38Å; T213-C278 PolarHBondContact N-SG 3.4Å; T213-C278 VanDerWaalsContact N-SG 3.38Å; T213-C278 WeakPolarHBondContact OG1-CB 3.28Å; L216-C278 HydrophobicContact CD2-CB 4.26Å; L274-C278 PolarHBondContact O-N 3.41Å; L274-C278 PolarHBondContact O-SG 3.09Å; L275-C278 PolarHBondContact O-N 3.36Å; C278-A281 HydrophobicContact CB-CB 3.47Å; C278-A281 VanDerWaalsContact CB-CB 3.47Å; C278-Y289 WeakPolarHBondContact CB-OH 3.21Å; C278-Y289 PolarHBondContact O-OH 2.91Å; C278-Y289 VanDerWaalsContact O-OH 3.08Å
279E95Very high95.8Very high72 Ų7225 Ų2534%0.33612%0.12SC..SBendtrans-79.5-49.7178.9-174.6176.3-172.100110.9D211 A281 I282 N350 S353 V354D211-E279 PolarHBondContact OD1-N 3.03Å; D211-E279 PolarHBondContact OD2-N 3.23Å; E279-A281 VanDerWaalsContact C-N 3.28Å; E279-A281 PolarHBondContact O-N 2.93Å; E279-I282 VanDerWaalsContact O-CB 3.31Å; E279-I282 WeakPolarHBondContact O-CB 3.34Å; E279-I282 PolarHBondContact O-N 3.06Å; E279-I282 VanDerWaalsContact O-N 3.1Å; E279-N350 HydrophobicContact CB-CB 4.34Å; E279-N350 HydrophobicContact CG-CB 4.31Å; E279-S353 VanDerWaalsContact OE1-CB 3.32Å; E279-S353 WeakPolarHBondContact OE1-CB 3.43Å; E279-S353 PolarHBondContact OE1-OG 3.28Å; E279-V354 HydrophobicContact CG-CG2 3.52Å
280K95Very high96Very high121 Ų12124 Ų2453%0.52612%0.117SC..Hα-helixtrans-60-38.2178.5-176.1-168.8171.8-155.20112.2D211 T213 I282 V283 D284D211-K280 WeakPolarHBondContact OD2-CB 3.33Å; D211-K280 PolarHBondContact OD2-N 3.06Å; T213-K280 HydrophobicContact CG2-CB 4.27Å; T213-K280 HydrophobicContact CG2-CD 4.29Å; T213-K280 HydrophobicContact CG2-CG 4.48Å; K280-I282 PolarHBondContact O-N 2.89Å; K280-V283 WeakPolarHBondContact O-CB 3.44Å; K280-V283 PolarHBondContact O-N 3.37Å; K280-D284 WeakPolarHBondContact CE-OD2 3.37Å; K280-D284 IonicContact NZ-OD2 3.74Å; K280-D284 PolarHBondContact O-N 3.33Å
281A96.3Very high96.2Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-57-22.8177.200000113.9T213 L216 C278 E279 V283 D284 Y285 Y289T213-A281 HydrophobicContact CG2-CB 3.97Å; T213-A281 PolarHBondContact OG1-N 3.33Å; L216-A281 HydrophobicContact CD2-CB 3.61Å; C278-A281 HydrophobicContact CB-CB 3.47Å; C278-A281 VanDerWaalsContact CB-CB 3.47Å; E279-A281 VanDerWaalsContact C-N 3.28Å; E279-A281 PolarHBondContact O-N 2.93Å; A281-V283 VanDerWaalsContact C-N 3.29Å; A281-V283 PolarHBondContact O-N 3.37Å; A281-D284 PolarHBondContact O-N 3.4Å; A281-Y285 HydrophobicContact CB-CD2 4.04Å; A281-Y285 HydrophobicContact CB-CE2 4.46Å; A281-Y285 WeakPolarHBondContact O-CA 3.22Å; A281-Y285 WeakPolarHBondContact O-CD2 3.49Å; A281-Y285 PolarHBondContact O-N 2.83Å; A281-Y289 HydrophobicContact CB-CE2 4.02Å; A281-Y289 WeakPolarHBondContact CB-OH 3.42Å; A281-Y289 WeakPolarHBondContact O-CE2 3.4Å
282I96.5Very high96.2Very high1 Ų124.4 Ų24.41%0.00512%0.121CC..Hα-helixtrans-67-34.7176.4-63.2166.3000110.9E279 K280 P286 Y289 N350 I351 V354 L372 L375E279-I282 VanDerWaalsContact O-CB 3.31Å; E279-I282 WeakPolarHBondContact O-CB 3.34Å; E279-I282 PolarHBondContact O-N 3.06Å; E279-I282 VanDerWaalsContact O-N 3.1Å; K280-I282 PolarHBondContact O-N 2.89Å; I282-P286 VanDerWaalsContact O-CA 3.31Å; I282-P286 WeakPolarHBondContact O-CA 3.19Å; I282-P286 WeakPolarHBondContact O-CB 3.22Å; I282-Y289 HydrophobicContact CB-CD2 4.33Å; I282-Y289 HydrophobicContact CB-CE2 4.31Å; I282-Y289 HydrophobicContact CD1-CE1 4.33Å; I282-Y289 HydrophobicContact CG1-CD1 3.9Å; I282-Y289 HydrophobicContact CG1-CD2 3.94Å; I282-Y289 HydrophobicContact CG1-CE1 3.65Å; I282-Y289 HydrophobicContact CG1-CE2 3.72Å; I282-Y289 HydrophobicContact CG1-CG 4.03Å; I282-N350 HydrophobicContact CD1-CB 3.57Å; I282-I351 HydrophobicContact CD1-CB 4.47Å; I282-I351 HydrophobicContact CD1-CG1 3.75Å; I282-I351 HydrophobicContact CG1-CG1 4.4Å; I282-I351 HydrophobicContact CG2-CG1 4.47Å; I282-V354 HydrophobicContact CB-CG1 4.38Å; I282-V354 HydrophobicContact CB-CG2 4.34Å; I282-V354 HydrophobicContact CD1-CG2 4.45Å; I282-V354 HydrophobicContact CG2-CB 4.21Å; I282-V354 HydrophobicContact CG2-CG1 3.96Å; I282-L372 HydrophobicContact CG2-CD2 4.12Å; I282-L375 HydrophobicContact CG2-CD2 3.62Å
283V93.8Very high96.3Very high48 Ų4824.5 Ų24.529%0.29112%0.122SC..Hα-helixtrans-76.3-42174.8-177.50000110.8K280 A281 P286 V354K280-V283 WeakPolarHBondContact O-CB 3.44Å; K280-V283 PolarHBondContact O-N 3.37Å; A281-V283 VanDerWaalsContact C-N 3.29Å; A281-V283 PolarHBondContact O-N 3.37Å; V283-P286 WeakPolarHBondContact O-CD 3.32Å; V283-V354 HydrophobicContact CG2-CG1 3.35Å; V283-V354 HydrophobicContact CG2-CG2 4.44Å
284D92.7Very high96.3Very high65 Ų6524.4 Ų24.435%0.34812%0.123SC..Hα-helixtrans-70.8-38.1-176.6-64.1-16.6000111K280 A281K280-D284 WeakPolarHBondContact CE-OD2 3.37Å; K280-D284 IonicContact NZ-OD2 3.74Å; K280-D284 PolarHBondContact O-N 3.33Å; A281-D284 PolarHBondContact O-N 3.4Å
285Y94.6Very high96.4Very high32 Ų3224.5 Ų24.513%0.12512%0.123CC..  trans-13256.2-173.7-45.4-80000113.5C217 E238 T242 A281 N287 L288 Y289C217-Y285 PolarHBondContact SG-OH 2.9Å; E238-Y285 HydrophobicContact CG-CD1 4.2Å; E238-Y285 HydrophobicContact CG-CE1 3.66Å; E238-Y285 VanDerWaalsContact OE1-CD1 3.23Å; E238-Y285 WeakPolarHBondContact OE1-CD1 3.44Å; E238-Y285 WeakPolarHBondContact OE1-CE1 3.1Å; T242-Y285 HydrophobicContact CG2-CD1 4.03Å; T242-Y285 HydrophobicContact CG2-CE1 4.44Å; A281-Y285 HydrophobicContact CB-CD2 4.04Å; A281-Y285 HydrophobicContact CB-CE2 4.46Å; A281-Y285 WeakPolarHBondContact O-CA 3.22Å; A281-Y285 WeakPolarHBondContact O-CD2 3.49Å; A281-Y285 PolarHBondContact O-N 2.83Å; Y285-N287 PolarHBondContact O-N 2.95Å; Y285-N287 VanDerWaalsContact O-N 3.12Å; Y285-L288 VanDerWaalsContact O-CB 3.31Å; Y285-L288 WeakPolarHBondContact O-CB 3.47Å; Y285-L288 PolarHBondContact O-N 3.48Å; Y285-Y289 WeakPolarHBondContact O-CD2 3.37Å
286P94.6Very high96.3Very high10 Ų1024.4 Ų24.47%0.06512%0.123CC..Hα-helixtrans-61.5-31.8-172.326.1-36.5000113.3I282 V283 L288 Y289 I290 T368 I371 L372I282-P286 VanDerWaalsContact O-CA 3.31Å; I282-P286 WeakPolarHBondContact O-CA 3.19Å; I282-P286 WeakPolarHBondContact O-CB 3.22Å; V283-P286 WeakPolarHBondContact O-CD 3.32Å; P286-L288 PolarHBondContact O-N 2.78Å; P286-Y289 PolarHBondContact O-N 3.03Å; P286-I290 WeakPolarHBondContact O-CG1 3.46Å; P286-I290 PolarHBondContact O-N 3.3Å; P286-I290 VanDerWaalsContact O-N 3.08Å; P286-T368 HydrophobicContact CG-CG2 4.46Å; P286-I371 HydrophobicContact CB-CB 4.34Å; P286-I371 HydrophobicContact CB-CG2 3.69Å; P286-I371 HydrophobicContact CG-CB 4.24Å; P286-I371 HydrophobicContact CG-CG2 3.84Å; P286-L372 HydrophobicContact CB-CD2 4.02Å
287N95.1Very high96.2Very high78 Ų7828.8 Ų28.842%0.41714%0.14SC..Hα-helixtrans-65.7-35175.8-67.9-44.4000113Y285 Y289 I290 D291 I371Y285-N287 PolarHBondContact O-N 2.95Å; Y285-N287 VanDerWaalsContact O-N 3.12Å; N287-Y289 VanDerWaalsContact C-N 3.27Å; N287-Y289 PolarHBondContact O-N 2.91Å; N287-I290 PolarHBondContact O-N 3.36Å; N287-D291 WeakPolarHBondContact O-CB 2.99Å; N287-D291 PolarHBondContact O-N 2.82Å; N287-I371 WeakPolarHBondContact OD1-CG2 3.3Å
288L97Very high96Very high6 Ų631.6 Ų31.63%0.03115%0.153CC..Hα-helixtrans-58.9-42.5174.6169.761.5000110.2L216 T242 L246 L275 Y285 P286 D291 F292L216-L288 HydrophobicContact CD2-CD2 4.47Å; T242-L288 HydrophobicContact CG2-CD2 4.16Å; L246-L288 HydrophobicContact CD1-CD1 3.86Å; L246-L288 HydrophobicContact CD2-CD1 3.91Å; L246-L288 HydrophobicContact CG-CD1 3.66Å; L275-L288 HydrophobicContact CD2-CD2 3.87Å; L275-L288 HydrophobicContact CD2-CG 4.41Å; Y285-L288 VanDerWaalsContact O-CB 3.31Å; Y285-L288 WeakPolarHBondContact O-CB 3.47Å; Y285-L288 PolarHBondContact O-N 3.48Å; P286-L288 PolarHBondContact O-N 2.78Å; L288-D291 PolarHBondContact O-N 2.8Å; L288-F292 WeakPolarHBondContact O-CB 3.45Å; L288-F292 PolarHBondContact O-N 2.78Å
289Y98.2Very high95.9Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-72.8-35.5179.8-74.9-89.8000113.2L275 C278 A281 I282 Y285 P286 N287 D291 F292 I293 L347 I351L275-Y289 WeakPolarHBondContact O-CE1 3.03Å; L275-Y289 PolarHBondContact O-OH 3.27Å; C278-Y289 WeakPolarHBondContact CB-OH 3.21Å; C278-Y289 PolarHBondContact O-OH 2.91Å; C278-Y289 VanDerWaalsContact O-OH 3.08Å; A281-Y289 HydrophobicContact CB-CE2 4.02Å; A281-Y289 WeakPolarHBondContact CB-OH 3.42Å; A281-Y289 WeakPolarHBondContact O-CE2 3.4Å; I282-Y289 HydrophobicContact CB-CD2 4.33Å; I282-Y289 HydrophobicContact CB-CE2 4.31Å; I282-Y289 HydrophobicContact CD1-CE1 4.33Å; I282-Y289 HydrophobicContact CG1-CD1 3.9Å; I282-Y289 HydrophobicContact CG1-CD2 3.94Å; I282-Y289 HydrophobicContact CG1-CE1 3.65Å; I282-Y289 HydrophobicContact CG1-CE2 3.72Å; I282-Y289 HydrophobicContact CG1-CG 4.03Å; Y285-Y289 WeakPolarHBondContact O-CD2 3.37Å; P286-Y289 PolarHBondContact O-N 3.03Å; N287-Y289 VanDerWaalsContact C-N 3.27Å; N287-Y289 PolarHBondContact O-N 2.91Å; Y289-D291 VanDerWaalsContact C-N 3.33Å; Y289-F292 PolarHBondContact O-N 3.45Å; Y289-I293 WeakPolarHBondContact O-CG1 3.38Å; Y289-I293 PolarHBondContact O-N 2.88Å; Y289-L347 HydrophobicContact CD1-CD1 3.81Å; Y289-L347 HydrophobicContact CE1-CD1 3.78Å; Y289-I351 HydrophobicContact CD1-CD1 4.49Å
290I97.7Very high95.6Very high14 Ų1428.5 Ų28.57%0.07214%0.139CC..Hα-helixtrans-59.2-48.4171.7-71.7176.9000109.9P286 N287 T294 I371 D374 L375 R378P286-I290 WeakPolarHBondContact O-CG1 3.46Å; P286-I290 PolarHBondContact O-N 3.3Å; P286-I290 VanDerWaalsContact O-N 3.08Å; N287-I290 PolarHBondContact O-N 3.36Å; I290-T294 PolarHBondContact O-N 3.37Å; I290-T294 PolarHBondContact O-OG1 3.16Å; I290-I371 HydrophobicContact CD1-CG2 3.56Å; I290-D374 HydrophobicContact CD1-CB 4.49Å; I290-L375 HydrophobicContact CD1-CB 4.26Å; I290-L375 HydrophobicContact CG1-CB 3.85Å; I290-L375 HydrophobicContact CG1-CD1 3.8Å; I290-L375 HydrophobicContact CG1-CG 4.36Å; I290-R378 PolarHBondContact O-NH1 3.13Å; I290-R378 VanDerWaalsContact O-NH1 3.1Å
291D97.8Very high95.1Very high39 Ų3924.1 Ų24.121%0.20912%0.121CC..Hα-helixtrans-67.3-43.7179.3-77.4-17.1000111.1F122 R243 L246 N287 L288 Y289 I293 T294 V295F122-D291 HydrophobicContact CE1-CB 4.15Å; F122-D291 HydrophobicContact CE2-CB 4.32Å; F122-D291 HydrophobicContact CZ-CB 3.55Å; F122-D291 VanDerWaalsContact CZ-CG 3.46Å; F122-D291 WeakPolarHBondContact CZ-OD2 3.36Å; R243-D291 IonicContact NH1-OD2 2.68Å; L246-D291 HydrophobicContact CD1-CB 3.41Å; L246-D291 VanDerWaalsContact CD1-CB 3.41Å; N287-D291 WeakPolarHBondContact O-CB 2.99Å; N287-D291 PolarHBondContact O-N 2.82Å; L288-D291 PolarHBondContact O-N 2.8Å; Y289-D291 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 3.4Å; D291-T294 WeakPolarHBondContact O-CA 3.19Å; D291-T294 WeakPolarHBondContact O-CB 3.44Å; D291-T294 PolarHBondContact O-N 3.5Å; D291-T294 PolarHBondContact O-OG1 3.44Å; D291-V295 WeakPolarHBondContact O-CG2 3.29Å; D291-V295 PolarHBondContact O-N 2.91Å
292F98.4Very high94.5Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-57.7-46.8177.7-177.7-133.1000112.7L246 F249 F272 L275 L288 Y289 T294 V295 I296 L347L246-F292 HydrophobicContact CD2-CB 4.05Å; L246-F292 HydrophobicContact CD2-CD2 3.99Å; L246-F292 HydrophobicContact CD2-CG 4.45Å; F249-F292 HydrophobicContact CD1-CD2 4.23Å; F249-F292 HydrophobicContact CD1-CE2 4.07Å; F249-F292 AromaticContact CE1-CD2 3.96Å; F249-F292 HydrophobicContact CE1-CD2 3.96Å; F249-F292 AromaticContact CE1-CE2 3.56Å; F249-F292 HydrophobicContact CE1-CE2 3.56Å; F249-F292 HydrophobicContact CE2-CE2 4.16Å; F249-F292 HydrophobicContact CZ-CD2 4.46Å; F249-F292 AromaticContact CZ-CE2 3.62Å; F249-F292 HydrophobicContact CZ-CE2 3.62Å; F249-F292 HydrophobicContact CZ-CZ 4.45Å; F272-F292 HydrophobicContact CB-CZ 4.45Å; F272-F292 HydrophobicContact CD1-CZ 4.13Å; F272-F292 HydrophobicContact CD2-CZ 4.17Å; F272-F292 HydrophobicContact CE1-CZ 4.36Å; F272-F292 HydrophobicContact CE2-CZ 4.44Å; F272-F292 AromaticContact CG-CZ 3.99Å; F272-F292 HydrophobicContact CG-CZ 3.99Å; L275-F292 HydrophobicContact CB-CD1 4.16Å; L275-F292 HydrophobicContact CB-CE1 3.67Å; L275-F292 HydrophobicContact CB-CZ 3.93Å; L275-F292 HydrophobicContact CD1-CD1 3.98Å; L275-F292 HydrophobicContact CD1-CD2 3.62Å; L275-F292 HydrophobicContact CD1-CE1 3.94Å; L275-F292 HydrophobicContact CD1-CE2 3.58Å; L275-F292 HydrophobicContact CD1-CG 3.82Å; L275-F292 HydrophobicContact CD1-CZ 3.74Å; L275-F292 HydrophobicContact CG-CE1 4.47Å; L275-F292 HydrophobicContact CG-CZ 4.48Å; L288-F292 WeakPolarHBondContact O-CB 3.45Å; L288-F292 PolarHBondContact O-N 2.78Å; Y289-F292 PolarHBondContact O-N 3.45Å; F292-T294 PolarHBondContact O-N 3.33Å; F292-V295 PolarHBondContact O-N 3.25Å; F292-V295 VanDerWaalsContact O-N 3.16Å; F292-I296 HydrophobicContact CD1-CD1 3.82Å; F292-I296 HydrophobicContact CD2-CD1 3.82Å; F292-I296 HydrophobicContact CD2-CG1 4.08Å; F292-I296 HydrophobicContact CE1-CD1 3.48Å; F292-I296 VanDerWaalsContact CE1-CD1 3.48Å; F292-I296 HydrophobicContact CE2-CD1 3.48Å; F292-I296 VanDerWaalsContact CE2-CD1 3.48Å; F292-I296 HydrophobicContact CE2-CG1 3.81Å; F292-I296 HydrophobicContact CG-CD1 3.97Å; F292-I296 HydrophobicContact CZ-CD1 3.3Å; F292-I296 HydrophobicContact CZ-CG1 4.11Å; F292-I296 WeakPolarHBondContact O-CG1 3.42Å; F292-I296 PolarHBondContact O-N 3.47Å; F292-L347 HydrophobicContact CD1-CD1 4.26Å; F292-L347 HydrophobicContact CD1-CD2 4.05Å; F292-L347 HydrophobicContact CE1-CD1 4.1Å; F292-L347 HydrophobicContact CE1-CD2 3.75Å
293I98Very high93.4Very high3 Ų325.5 Ų25.52%0.01513%0.13CC..Hα-helixtrans-59.2-39.4174.5-70.9170.7000111Y289 D291 Y297 I351 L375 R378 A379 F382Y289-I293 WeakPolarHBondContact O-CG1 3.38Å; Y289-I293 PolarHBondContact O-N 2.88Å; D291-I293 PolarHBondContact O-N 3.4Å; I293-Y297 VanDerWaalsContact O-CB 3.24Å; I293-Y297 WeakPolarHBondContact O-CB 3.23Å; I293-Y297 PolarHBondContact O-N 3.23Å; I293-I351 HydrophobicContact CD1-CD1 3.8Å; I293-L375 HydrophobicContact CD1-CD1 3.72Å; I293-R378 HydrophobicContact CG2-CG 4.14Å; I293-A379 HydrophobicContact CD1-CB 3.97Å; I293-F382 HydrophobicContact CG2-CB 3.74Å; I293-F382 HydrophobicContact CG2-CD1 4.25Å; I293-F382 HydrophobicContact CG2-CD2 4.21Å; I293-F382 HydrophobicContact CG2-CG 3.81Å
294T97.5Very high91.9Very high23 Ų2325.1 Ų25.114%0.14113%0.126CC..Hα-helixtrans-60.8-48.2176.4-43.90000111.2I290 D291 F292 Y297 H298 R378I290-T294 PolarHBondContact O-N 3.37Å; I290-T294 PolarHBondContact O-OG1 3.16Å; D291-T294 WeakPolarHBondContact O-CA 3.19Å; D291-T294 WeakPolarHBondContact O-CB 3.44Å; D291-T294 PolarHBondContact O-N 3.5Å; D291-T294 PolarHBondContact O-OG1 3.44Å; F292-T294 PolarHBondContact O-N 3.33Å; T294-Y297 WeakPolarHBondContact O-CB 3.44Å; T294-Y297 PolarHBondContact O-N 2.9Å; T294-H298 PolarHBondContact O-CD2 3.09Å; T294-H298 PolarHBondContact O-N 3.33Å; T294-R378 PolarHBondContact OG1-NH1 2.76Å; T294-R378 PolarHBondContact OG1-NH2 3.38Å
295V98.1Very high90.3Very high1 Ų129.6 Ų29.61%0.00614%0.138CC..Hα-helixtrans-62.7-49.9-177.9174.90000109.9F122 F249 Q250 D291 F292 Y297 H298 Q299F122-V295 HydrophobicContact CD2-CG2 3.71Å; F122-V295 HydrophobicContact CE2-CG2 3.57Å; F249-V295 HydrophobicContact CD1-CG1 3.69Å; F249-V295 HydrophobicContact CE1-CG1 3.75Å; Q250-V295 HydrophobicContact CG-CG1 3.6Å; Q250-V295 HydrophobicContact CG-CG2 4.37Å; D291-V295 WeakPolarHBondContact O-CG2 3.29Å; D291-V295 PolarHBondContact O-N 2.91Å; F292-V295 PolarHBondContact O-N 3.25Å; F292-V295 VanDerWaalsContact O-N 3.16Å; V295-Y297 VanDerWaalsContact C-N 3.31Å; V295-Y297 PolarHBondContact O-N 3.12Å; V295-H298 PolarHBondContact O-N 3.04Å; V295-H298 VanDerWaalsContact O-N 3.16Å; V295-Q299 HydrophobicContact CG1-CG 4.24Å; V295-Q299 WeakPolarHBondContact O-CG 3.45Å; V295-Q299 PolarHBondContact O-N 3.21Å
296I95.6Very high88.2Confident0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-59.3-43.8177.8-64.2162.7000110.7F249 F272 F292 H298 Q299 L300 L347 F382F249-I296 HydrophobicContact CE1-CG1 4.08Å; F249-I296 HydrophobicContact CZ-CG1 4.19Å; F272-I296 HydrophobicContact CD2-CD1 4.23Å; F272-I296 HydrophobicContact CD2-CG1 4.36Å; F272-I296 HydrophobicContact CE1-CD1 4.44Å; F272-I296 HydrophobicContact CE2-CD1 3.52Å; F272-I296 HydrophobicContact CE2-CG1 3.78Å; F272-I296 HydrophobicContact CE2-CG2 4.07Å; F272-I296 HydrophobicContact CZ-CD1 3.63Å; F272-I296 HydrophobicContact CZ-CG1 4.37Å; F292-I296 HydrophobicContact CD1-CD1 3.82Å; F292-I296 HydrophobicContact CD2-CD1 3.82Å; F292-I296 HydrophobicContact CD2-CG1 4.08Å; F292-I296 HydrophobicContact CE1-CD1 3.48Å; F292-I296 VanDerWaalsContact CE1-CD1 3.48Å; F292-I296 HydrophobicContact CE2-CD1 3.48Å; F292-I296 VanDerWaalsContact CE2-CD1 3.48Å; F292-I296 HydrophobicContact CE2-CG1 3.81Å; F292-I296 HydrophobicContact CG-CD1 3.97Å; F292-I296 HydrophobicContact CZ-CD1 3.3Å; F292-I296 HydrophobicContact CZ-CG1 4.11Å; F292-I296 WeakPolarHBondContact O-CG1 3.42Å; F292-I296 PolarHBondContact O-N 3.47Å; I296-H298 VanDerWaalsContact C-N 3.31Å; I296-H298 PolarHBondContact O-N 3.29Å; I296-Q299 PolarHBondContact O-N 3.23Å; I296-L300 HydrophobicContact CG2-CD1 3.56Å; I296-L300 HydrophobicContact CG2-CG 3.88Å; I296-L300 WeakPolarHBondContact O-CB 3.49Å; I296-L300 VanDerWaalsContact O-CG 3.31Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 3.31Å; I296-L347 HydrophobicContact CD1-CD2 4.15Å; I296-F382 HydrophobicContact CB-CZ 4.41Å; I296-F382 HydrophobicContact CG2-CE2 4.21Å; I296-F382 HydrophobicContact CG2-CZ 3.69Å
297Y94.5Very high85.6Confident91 Ų9135.2 Ų35.236%0.35717%0.166SC..Hα-helixtrans-56-45.4177.1171.5-96.1000112I293 T294 V295 N301 F382I293-Y297 VanDerWaalsContact O-CB 3.24Å; I293-Y297 WeakPolarHBondContact O-CB 3.23Å; I293-Y297 PolarHBondContact O-N 3.23Å; T294-Y297 WeakPolarHBondContact O-CB 3.44Å; T294-Y297 PolarHBondContact O-N 2.9Å; V295-Y297 VanDerWaalsContact C-N 3.31Å; V295-Y297 PolarHBondContact O-N 3.12Å; Y297-N301 WeakPolarHBondContact CD2-ND2 3.47Å; Y297-N301 VanDerWaalsContact CE1-ND2 3.28Å; Y297-N301 WeakPolarHBondContact CE1-ND2 3.39Å; Y297-N301 WeakPolarHBondContact CE2-ND2 3.49Å; Y297-N301 WeakPolarHBondContact O-CB 3.43Å; Y297-N301 VanDerWaalsContact O-CG 3.25Å; Y297-N301 PolarHBondContact O-N 3Å; Y297-N301 VanDerWaalsContact O-N 3.15Å; Y297-N301 PolarHBondContact O-ND2 3.33Å; Y297-F382 HydrophobicContact CD2-CD2 4.3Å
298H93.6Very high82.7Confident60 Ų6037.9 Ų37.928%0.27819%0.185SC..Hα-helixtrans-70-41.4178.2-72-63.7000112.6L119 T294 V295 I296 N301 N302L119-H298 HydrophobicContact CD2-CB 4.28Å; T294-H298 PolarHBondContact O-CD2 3.09Å; T294-H298 PolarHBondContact O-N 3.33Å; V295-H298 PolarHBondContact O-N 3.04Å; V295-H298 VanDerWaalsContact O-N 3.16Å; I296-H298 VanDerWaalsContact C-N 3.31Å; I296-H298 PolarHBondContact O-N 3.29Å; H298-N301 PolarHBondContact O-N 3.04Å; H298-N302 WeakPolarHBondContact O-CB 3.21Å; H298-N302 PolarHBondContact O-N 3.25Å
299Q93.2Very high80Confident2 Ų240.5 Ų40.51%0.00920%0.204CC..Hα-helixtrans-59.9-50.3176.6-72.5176-12.200111.8L119 F249 F253 V295 I296 N301 N302 A303L119-Q299 HydrophobicContact CD2-CB 4.45Å; L119-Q299 HydrophobicContact CD2-CG 3.92Å; F249-Q299 VanDerWaalsContact CE1-OE1 3.26Å; F253-Q299 HydrophobicContact CD1-CG 3.85Å; F253-Q299 HydrophobicContact CD2-CB 4.1Å; F253-Q299 HydrophobicContact CD2-CG 3.9Å; F253-Q299 HydrophobicContact CE1-CB 4.33Å; F253-Q299 HydrophobicContact CE1-CG 3.98Å; F253-Q299 HydrophobicContact CE2-CB 3.82Å; F253-Q299 HydrophobicContact CE2-CG 4.05Å; F253-Q299 HydrophobicContact CG-CB 4.49Å; F253-Q299 HydrophobicContact CG-CG 3.81Å; F253-Q299 HydrophobicContact CZ-CB 3.95Å; F253-Q299 HydrophobicContact CZ-CG 4.09Å; V295-Q299 HydrophobicContact CG1-CG 4.24Å; V295-Q299 WeakPolarHBondContact O-CG 3.45Å; V295-Q299 PolarHBondContact O-N 3.21Å; I296-Q299 PolarHBondContact O-N 3.23Å; Q299-N301 VanDerWaalsContact C-N 3.32Å; Q299-N301 PolarHBondContact O-N 3.12Å; Q299-N302 PolarHBondContact O-N 3.03Å; Q299-A303 WeakPolarHBondContact O-CB 3.41Å; Q299-A303 PolarHBondContact O-N 2.91Å
300L88.9Confident77.1Confident5 Ų546.7 Ų46.73%0.02625%0.247CC..Hα-helixtrans-66-33.1179.7-66179.7000113I296 N304 F322 L340 I344 F382 I386 F390I296-L300 HydrophobicContact CG2-CD1 3.56Å; I296-L300 HydrophobicContact CG2-CG 3.88Å; I296-L300 WeakPolarHBondContact O-CB 3.49Å; I296-L300 VanDerWaalsContact O-CG 3.31Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 3.31Å; L300-N304 PolarHBondContact O-N 2.95Å; L300-F322 HydrophobicContact CD2-CE1 3.97Å; L300-F322 HydrophobicContact CD2-CZ 4.22Å; L300-L340 HydrophobicContact CD2-CD1 3.67Å; L300-L340 HydrophobicContact CD2-CD2 4.27Å; L300-I344 HydrophobicContact CD1-CD1 4.09Å; L300-F382 HydrophobicContact CD1-CE2 4.36Å; L300-F382 HydrophobicContact CD1-CZ 4.14Å; L300-I386 HydrophobicContact CD1-CD1 3.62Å; L300-F390 HydrophobicContact CB-CE2 4.24Å; L300-F390 HydrophobicContact CB-CZ 4.14Å; L300-F390 HydrophobicContact CD1-CE2 4.34Å
301N85.5Confident74.6Confident29 Ų2947.3 Ų47.316%0.15525%0.253CS..Hα-helixtrans-72.6-35175.7-78.4-42.7000112.7Y297 H298 Q299 R389Y297-N301 WeakPolarHBondContact CD2-ND2 3.47Å; Y297-N301 VanDerWaalsContact CE1-ND2 3.28Å; Y297-N301 WeakPolarHBondContact CE1-ND2 3.39Å; Y297-N301 WeakPolarHBondContact CE2-ND2 3.49Å; Y297-N301 WeakPolarHBondContact O-CB 3.43Å; Y297-N301 VanDerWaalsContact O-CG 3.25Å; Y297-N301 PolarHBondContact O-N 3Å; Y297-N301 VanDerWaalsContact O-N 3.15Å; Y297-N301 PolarHBondContact O-ND2 3.33Å; H298-N301 PolarHBondContact O-N 3.04Å; Q299-N301 VanDerWaalsContact C-N 3.32Å; Q299-N301 PolarHBondContact O-N 3.12Å; N301-R389 PolarHBondContact OD1-NE 2.99Å
302N83.7Confident72.1Confident25 Ų2551.4 Ų51.413%0.13427%0.274CS..Hα-helixtrans-71.7-46.9176.4-176.2-91.5000111.5L119 H298 Q299 N304 R305L119-N302 HydrophobicContact CD1-CB 4.01Å; L119-N302 HydrophobicContact CD2-CB 4.18Å; H298-N302 WeakPolarHBondContact O-CB 3.21Å; H298-N302 PolarHBondContact O-N 3.25Å; Q299-N302 PolarHBondContact O-N 3.03Å; N302-N304 PolarHBondContact O-N 3.46Å; N302-R305 PolarHBondContact O-N 2.66Å
303A73Confident69.7Low5 Ų553.4 Ų53.44%0.04129%0.288CS..Hα-helixtrans-55.3-38.2179.900000112.7Q299 R305 L318 F322Q299-A303 WeakPolarHBondContact O-CB 3.41Å; Q299-A303 PolarHBondContact O-N 2.91Å; A303-R305 VanDerWaalsContact C-N 3.31Å; A303-R305 PolarHBondContact O-N 2.92Å; A303-L318 HydrophobicContact CB-CD2 3.53Å; A303-L318 HydrophobicContact CB-CG 4.42Å; A303-L318 WeakPolarHBondContact O-CD1 3.21Å; A303-F322 HydrophobicContact CB-CE2 3.6Å; A303-F322 HydrophobicContact CB-CZ 3.82Å
304N61.8Low67.2Low40 Ų4054 Ų5421%0.21429%0.294CS..THydrogen-bonded Turntrans-83.12180-169.79.4000113.8L300 N302 F322 R389L300-N304 PolarHBondContact O-N 2.95Å; N302-N304 PolarHBondContact O-N 3.46Å; N304-F322 HydrophobicContact CB-CZ 4.37Å; N304-R389 PolarHBondContact ND2-NE 3.42Å; N304-R389 PolarHBondContact ND2-NH2 3.26Å
305R58.9Low64.7Low158 Ų15854.6 Ų54.660%0.59630%0.297SS*.THydrogen-bonded Turntrans-90.4-22172.7-82.1-174.8173.1-166.5-0.9113.3D115 N302 A303 E307 V308D115-R305 IonicContact OD2-NH1 3.09Å; D115-R305 PolarHBondContact OD2-NH1 3.17Å; N302-R305 PolarHBondContact O-N 2.66Å; A303-R305 VanDerWaalsContact C-N 3.31Å; A303-R305 PolarHBondContact O-N 2.92Å; R305-E307 PolarHBondContact O-N 2.73Å; R305-E307 VanDerWaalsContact O-N 3.15Å; R305-V308 PolarHBondContact O-N 3.47Å
306S50.3Low62.6Low16 Ų1660.7 Ų60.711%0.11233%0.326CS..G310 helixtrans-64-21.6-172.2-164.70000113V308 S309 V315S306-V308 PolarHBondContact O-N 3.11Å; S306-S309 PolarHBondContact O-N 3.14Å; S306-S309 VanDerWaalsContact O-N 3.13Å; S306-S309 PolarHBondContact O-OG 3.19Å; S306-V315 WeakPolarHBondContact O-CG2 3.22Å; S306-V315 WeakPolarHBondContact OG-CG2 3.18Å
307E40.3Very low60.7Low144 Ų14462.3 Ų62.367%0.67333%0.334SS*.G310 helixtrans-50.2-22.3173.9-65.8-174171.200113.9R305R305-E307 PolarHBondContact O-N 2.73Å; R305-E307 VanDerWaalsContact O-N 3.15Å
308V34.9Very low59Low134 Ų13458.2 Ų58.281%0.81232%0.319SS*.G310 helixtrans-94.5-20.3-174.7-172.90000113.6R305 S306R305-V308 PolarHBondContact O-N 3.47Å; S306-V308 PolarHBondContact O-N 3.11Å
309S40.4Very low57.7Low62 Ų6259.3 Ų59.343%0.43433%0.327SS..SBendtrans-94.7112.4175.951.20000109.7S306 S311S306-S309 PolarHBondContact O-N 3.14Å; S306-S309 VanDerWaalsContact O-N 3.13Å; S306-S309 PolarHBondContact O-OG 3.19Å; S309-S311 PolarHBondContact O-N 3.1Å
310S36.6Very low56.4Low129 Ų12961.4 Ų61.490%0.90234%0.337SS*.  trans-63.937.3-175.261.40000115.9
311S45.9Very low55.3Low27 Ų2761.5 Ų61.519%0.18934%0.338CS..  trans-109.3106.3170.156.50000109.2F23 S309 S313F23-S311 VanDerWaalsContact CZ-CB 3.47Å; S309-S311 PolarHBondContact O-N 3.1Å; S311-S313 PolarHBondContact O-N 3.36Å; S311-S313 VanDerWaalsContact O-N 3.09Å
312D44.2Very low54.4Low125 Ų12562.2 Ų62.267%0.66834%0.339SS*.Hα-helixtrans-50.5-35.5-172.2-71.7-33.2000114E316D312-E316 WeakPolarHBondContact O-CG 3.45Å; D312-E316 PolarHBondContact O-N 3.16Å; D312-E316 VanDerWaalsContact O-N 3.16Å
313S49.4Very low53.3Low42 Ų4263.4 Ų63.429%0.29435%0.349SS..Hα-helixtrans-72.2-38.2-166.657.60000116S311S311-S313 PolarHBondContact O-N 3.36Å; S311-S313 VanDerWaalsContact O-N 3.09Å
314A44.7Very low52.2Low16 Ų1669.2 Ų69.213%0.13238%0.376CS..Hα-helixtrans-76.1-33.5179.100000111.9L318A314-L318 WeakPolarHBondContact O-CD1 2.99Å; A314-L318 VanDerWaalsContact O-CG 3.29Å; A314-L318 WeakPolarHBondContact O-CG 3.25Å; A314-L318 PolarHBondContact O-N 2.83Å
315V46.3Very low51Low35 Ų3571.1 Ų71.121%0.21239%0.392CS..Hα-helixtrans-64.6-47177.5-176.20000110S306 L317 L318 D319S306-V315 WeakPolarHBondContact O-CG2 3.22Å; S306-V315 WeakPolarHBondContact OG-CG2 3.18Å; V315-L317 VanDerWaalsContact C-N 3.32Å; V315-L317 PolarHBondContact O-N 3.05Å; V315-L318 PolarHBondContact O-N 2.97Å; V315-D319 PolarHBondContact O-N 2.83Å; V315-D319 VanDerWaalsContact O-N 3.11Å
316E53.2Low49.7Very low129 Ų12968.5 Ų68.560%0.60340%0.398SS*.Hα-helixtrans-59.8-37.5-179.7-75.9177.4-178.400113.4D312D312-E316 WeakPolarHBondContact O-CG 3.45Å; D312-E316 PolarHBondContact O-N 3.16Å; D312-E316 VanDerWaalsContact O-N 3.16Å
317L55.9Low48.7Very low35 Ų3570.9 Ų70.918%0.18342%0.415CS..Hα-helixtrans-77.1-31.3178.6-71175.4000112.7H260 V315 D319 I320H260-L317 HydrophobicContact CB-CD1 3.6Å; H260-L317 WeakPolarHBondContact CD2-CD1 3.05Å; V315-L317 VanDerWaalsContact C-N 3.32Å; V315-L317 PolarHBondContact O-N 3.05Å; L317-D319 VanDerWaalsContact C-N 3.27Å; L317-D319 PolarHBondContact O-N 3.49Å; L317-I320 HydrophobicContact CD2-CD1 3.57Å; L317-I320 VanDerWaalsContact O-CB 3.23Å; L317-I320 WeakPolarHBondContact O-CB 3.14Å; L317-I320 WeakPolarHBondContact O-CG1 3.06Å; L317-I320 PolarHBondContact O-N 2.94Å; L317-I320 VanDerWaalsContact O-N 3.08Å
318L58Low48.3Very low5 Ų569.4 Ų69.43%0.02642%0.42CS..Hα-helixtrans-69.6-30.4176.5-74.5169.2000111.7L257 A303 A314 V315 I320 F321 F322L257-L318 HydrophobicContact CD1-CD1 3.8Å; L257-L318 HydrophobicContact CD1-CD2 3.63Å; L257-L318 HydrophobicContact CD1-CG 3.83Å; A303-L318 HydrophobicContact CB-CD2 3.53Å; A303-L318 HydrophobicContact CB-CG 4.42Å; A303-L318 WeakPolarHBondContact O-CD1 3.21Å; A314-L318 WeakPolarHBondContact O-CD1 2.99Å; A314-L318 VanDerWaalsContact O-CG 3.29Å; A314-L318 WeakPolarHBondContact O-CG 3.25Å; A314-L318 PolarHBondContact O-N 2.83Å; V315-L318 PolarHBondContact O-N 2.97Å; L318-I320 PolarHBondContact O-N 3.38Å; L318-F321 HydrophobicContact CD2-CD2 3.76Å; L318-F321 HydrophobicContact CD2-CE2 3.79Å; L318-F321 WeakPolarHBondContact O-CB 3.34Å; L318-F321 PolarHBondContact O-N 3.39Å; L318-F322 WeakPolarHBondContact O-CD2 3.34Å
319D66.2Low48.1Very low83 Ų8367.3 Ų67.344%0.44441%0.412SS..Hα-helixtrans-58.7-26.9169.7-72-18000111.8V315 L317 F321 F322 S323V315-D319 PolarHBondContact O-N 2.83Å; V315-D319 VanDerWaalsContact O-N 3.11Å; L317-D319 VanDerWaalsContact C-N 3.27Å; L317-D319 PolarHBondContact O-N 3.49Å; D319-F321 PolarHBondContact O-N 3.35Å; D319-F322 CarbonylContact O-C 3.59Å; D319-F322 PolarHBondContact O-N 2.87Å; D319-S323 WeakPolarHBondContact O-CA 3.47Å; D319-S323 WeakPolarHBondContact O-CB 3.32Å; D319-S323 PolarHBondContact O-N 3.41Å; D319-S323 PolarHBondContact O-OG 3.18Å
320I66.3Low47.6Very low45 Ų4570.5 Ų70.523%0.23143%0.429CS..Hα-helixtrans-63.1-32.5175.8-54.4178.3000111.3W265 L317 L318 F322 S323W265-I320 HydrophobicContact CD2-CG2 4.37Å; W265-I320 HydrophobicContact CG-CG2 4.49Å; W265-I320 HydrophobicContact CZ2-CG2 3.86Å; W265-I320 VanDerWaalsContact NE1-CG2 3.3Å; L317-I320 HydrophobicContact CD2-CD1 3.57Å; L317-I320 VanDerWaalsContact O-CB 3.23Å; L317-I320 WeakPolarHBondContact O-CB 3.14Å; L317-I320 WeakPolarHBondContact O-CG1 3.06Å; L317-I320 PolarHBondContact O-N 2.94Å; L317-I320 VanDerWaalsContact O-N 3.08Å; L318-I320 PolarHBondContact O-N 3.38Å; I320-F322 VanDerWaalsContact C-N 3.32Å; I320-S323 PolarHBondContact O-OG 3.15Å
321F66.7Low47.3Very low8 Ų874.3 Ų74.34%0.03543%0.432CS..Hα-helixtrans-66.1-37.7173.9-69.5-69.4000111.7F253 L256 W268 L318 D319 L340F253-F321 AromaticContact CD2-CE1 3.97Å; F253-F321 HydrophobicContact CD2-CE1 3.97Å; F253-F321 AromaticContact CD2-CE2 3.93Å; F253-F321 HydrophobicContact CD2-CE2 3.93Å; F253-F321 AromaticContact CD2-CZ 3.36Å; F253-F321 HydrophobicContact CD2-CZ 3.36Å; F253-F321 HydrophobicContact CE2-CD2 4.31Å; F253-F321 HydrophobicContact CE2-CE1 4.22Å; F253-F321 AromaticContact CE2-CE2 3.56Å; F253-F321 HydrophobicContact CE2-CE2 3.56Å; F253-F321 AromaticContact CE2-CZ 3.5Å; F253-F321 HydrophobicContact CE2-CZ 3.5Å; F253-F321 HydrophobicContact CG-CZ 4.47Å; F253-F321 HydrophobicContact CZ-CE2 4.5Å; L256-F321 HydrophobicContact CD2-CD2 4.45Å; L256-F321 HydrophobicContact CD2-CE1 4.03Å; L256-F321 HydrophobicContact CD2-CE2 3.57Å; L256-F321 HydrophobicContact CD2-CZ 3.32Å; L256-F321 HydrophobicContact CG-CZ 4.45Å; W268-F321 HydrophobicContact CD2-CD1 4.34Å; W268-F321 AromaticContact CD2-CE1 3.67Å; W268-F321 HydrophobicContact CD2-CE1 3.67Å; W268-F321 AromaticContact CE2-CE1 3.89Å; W268-F321 AromaticContact CE3-CD1 3.98Å; W268-F321 HydrophobicContact CE3-CD1 3.98Å; W268-F321 AromaticContact CE3-CE1 3.66Å; W268-F321 HydrophobicContact CE3-CE1 3.66Å; W268-F321 HydrophobicContact CG-CE1 4.27Å; W268-F321 AromaticContact CH2-CD1 3.85Å; W268-F321 HydrophobicContact CH2-CD1 3.85Å; W268-F321 HydrophobicContact CH2-CE1 4.13Å; W268-F321 HydrophobicContact CZ2-CD1 4.2Å; W268-F321 HydrophobicContact CZ2-CE1 4.13Å; W268-F321 AromaticContact CZ3-CD1 3.72Å; W268-F321 HydrophobicContact CZ3-CD1 3.72Å; W268-F321 AromaticContact CZ3-CE1 3.89Å; W268-F321 HydrophobicContact CZ3-CE1 3.89Å; L318-F321 HydrophobicContact CD2-CD2 3.76Å; L318-F321 HydrophobicContact CD2-CE2 3.79Å; L318-F321 WeakPolarHBondContact O-CB 3.34Å; L318-F321 PolarHBondContact O-N 3.39Å; D319-F321 PolarHBondContact O-N 3.35Å; F321-L340 HydrophobicContact CB-CD1 4.36Å; F321-L340 WeakPolarHBondContact O-CD1 3Å; F321-L340 WeakPolarHBondContact O-CG 3.18Å
322F66.1Low46.5Very low44 Ų4477.1 Ų77.119%0.19345%0.451CS..Hα-helixtrans-98.3-12.8-173.4-61.2-67.7000114.7L300 A303 N304 L318 D319 I320 E324 L340 F390 W392L300-F322 HydrophobicContact CD2-CE1 3.97Å; L300-F322 HydrophobicContact CD2-CZ 4.22Å; A303-F322 HydrophobicContact CB-CE2 3.6Å; A303-F322 HydrophobicContact CB-CZ 3.82Å; N304-F322 HydrophobicContact CB-CZ 4.37Å; L318-F322 WeakPolarHBondContact O-CD2 3.34Å; D319-F322 CarbonylContact O-C 3.59Å; D319-F322 PolarHBondContact O-N 2.87Å; I320-F322 VanDerWaalsContact C-N 3.32Å; F322-E324 PolarHBondContact O-N 2.86Å; F322-L340 HydrophobicContact CD1-CD1 3.96Å; F322-L340 HydrophobicContact CE1-CD1 4.07Å; F322-F390 HydrophobicContact CD1-CD1 4.36Å; F322-F390 AromaticContact CD1-CE1 3.96Å; F322-F390 HydrophobicContact CD1-CE1 3.96Å; F322-F390 HydrophobicContact CE1-CD1 4.04Å; F322-F390 AromaticContact CE1-CE1 3.26Å; F322-F390 HydrophobicContact CE1-CE1 3.26Å; F322-F390 AromaticContact CE1-CZ 3.62Å; F322-F390 HydrophobicContact CE1-CZ 3.62Å; F322-F390 AromaticContact CZ-CE1 3.81Å; F322-F390 HydrophobicContact CZ-CE1 3.81Å; F322-F390 HydrophobicContact CZ-CZ 4.02Å; F322-W392 HydrophobicContact CD1-CH2 4.17Å
323S60.5Low45.8Very low49 Ų4980.2 Ų80.234%0.34346%0.458SS..  trans-60109.8-175.2600000109.3D319 I320 S325D319-S323 WeakPolarHBondContact O-CA 3.47Å; D319-S323 WeakPolarHBondContact O-CB 3.32Å; D319-S323 PolarHBondContact O-N 3.41Å; D319-S323 PolarHBondContact O-OG 3.18Å; I320-S323 PolarHBondContact O-OG 3.15Å; S323-S325 PolarHBondContact O-N 3.3Å
324E49.3Very low45Very low128 Ų12882.7 Ų82.760%0.59847%0.468SS*.  trans-65.396157-69.8177.8176.900104.4F322 S326F322-E324 PolarHBondContact O-N 2.86Å; E324-S326 PolarHBondContact O-N 3.48Å
325S38Very low44.7Very low79 Ų7988.1 Ų88.155%0.55250%0.499SS*.  trans-10.896.5176.749.20000112.8S323 S327S323-S325 PolarHBondContact O-N 3.3Å; S325-S327 VanDerWaalsContact C-N 3.26Å; S325-S327 PolarHBondContact O-N 2.68Å
326S29.9Very low44.8Very low104 Ų10489.8 Ų89.873%0.72751%0.505SS*.  trans-73.578.4-176.640.60000110E324 S328E324-S326 PolarHBondContact O-N 3.48Å; S326-S328 PolarHBondContact O-N 2.82Å
327S30.1Very low44.9Very low66 Ų6686.3 Ų86.346%0.46249%0.493SS..  trans-74.177.5160.465.20000108.5S325 S329 L334S325-S327 VanDerWaalsContact C-N 3.26Å; S325-S327 PolarHBondContact O-N 2.68Å; S327-S329 PolarHBondContact O-N 3.09Å; S327-L334 VanDerWaalsContact OG-CD1 3.27Å; S327-L334 WeakPolarHBondContact OG-CD1 3.39Å
328S32.2Very low45.7Very low113 Ų11384.9 Ų84.979%0.7949%0.488SS*.  trans-73.969.316761.60000109.6S326S326-S328 PolarHBondContact O-N 2.82Å
329S30.5Very low47Very low90 Ų9085.9 Ų85.963%0.62949%0.492SS*.SBendtrans-178.5136.7155.5450000109.4S327S327-S329 PolarHBondContact O-N 3.09Å
330T30.5Very low48.1Very low129 Ų12982 Ų8279%0.79147%0.471SS*.SBendtrans77.4132.9-178.168.90000116.3C332T330-C332 PolarHBondContact O-N 2.93Å
331Q30.3Very low49.1Very low209 Ų20980.3 Ų80.398%0.97746%0.463SS*.SBendtrans-68.747.3-179.2-71.2164-39.900112.7
332C28.7Very low50.1Low85 Ų8581.2 Ų81.257%0.57447%0.469SS*.  trans-95.3105.8156.2-112.20000106.2T330 L334T330-C332 PolarHBondContact O-N 2.93Å; C332-L334 PolarHBondContact O-N 2.8Å
333K28.3Very low51.3Low190 Ų19079.9 Ų79.983%0.82646%0.464SS*.  trans-61.389.2159.2-70.2177.1177.2179.80105.7T335K333-T335 HydrophobicContact CB-CG2 4.26Å; K333-T335 PolarHBondContact O-N 2.85Å
334L33.5Very low52.8Low94 Ų9477.5 Ų77.549%0.49245%0.447SS..  trans-57.9102.5162.7-72.2174.3000104.4S327 C332 E336S327-L334 VanDerWaalsContact OG-CD1 3.27Å; S327-L334 WeakPolarHBondContact OG-CD1 3.39Å; C332-L334 PolarHBondContact O-N 2.8Å; L334-E336 PolarHBondContact O-N 3.44Å
335T37.8Very low54.8Low130 Ų13072.4 Ų72.480%0.79843%0.429SS*.  trans-87.824.2178.438.20000109.3K333K333-T335 HydrophobicContact CB-CG2 4.26Å; K333-T335 PolarHBondContact O-N 2.85Å
336E48.2Very low57.4Low70 Ų7071.6 Ų71.633%0.32741%0.414SS..PPolyproline II helixtrans-97.4128.2-173.4-70.3-177.9179.400109.4L334 G338L334-E336 PolarHBondContact O-N 3.44Å; E336-G338 PolarHBondContact O-N 2.92Å
337P56.8Low60.6Low56 Ų5666.7 Ų66.736%0.36438%0.379SS..PPolyproline II helixtrans-62.2135.3176.216.6-19.3000110P341 T342P337-P341 HydrophobicContact CB-CB 3.89Å; P337-P341 HydrophobicContact CB-CG 3.9Å; P337-T342 WeakPolarHBondContact CG-OG1 3.48Å; P337-T342 PolarHBondContact O-OG1 2.82Å
338G73Confident63.7Low6 Ų663.6 Ų63.66%0.06236%0.358CS..PPolyproline II helixtrans-57168.9172.500000112.5E336 L340 P341 T342E336-G338 PolarHBondContact O-N 2.92Å; G338-L340 VanDerWaalsContact C-N 3.28Å; G338-L340 PolarHBondContact O-N 3.14Å; G338-L340 VanDerWaalsContact O-N 3.11Å; G338-P341 WeakPolarHBondContact O-CD 3.49Å; G338-P341 VanDerWaalsContact O-CG 3.31Å; G338-P341 WeakPolarHBondContact O-CG 3.46Å; G338-T342 PolarHBondContact O-N 3.06Å; G338-T342 PolarHBondContact O-OG1 2.8Å
339F85.3Confident66.6Low25 Ų2561.7 Ų61.711%0.1134%0.335CS..Hα-helixtrans-44-50.4-176.5174.5-92.8000113.7W268 R269 F272 T342 M343W268-F339 HydrophobicContact CE3-CE1 4.46Å; W268-F339 HydrophobicContact CH2-CE1 4.31Å; W268-F339 HydrophobicContact CZ3-CD1 4.25Å; W268-F339 AromaticContact CZ3-CE1 3.65Å; W268-F339 HydrophobicContact CZ3-CE1 3.65Å; R269-F339 HydrophobicContact CB-CE1 4.28Å; R269-F339 HydrophobicContact CB-CE2 4.02Å; R269-F339 HydrophobicContact CB-CZ 3.69Å; R269-F339 HydrophobicContact CG-CD1 4.21Å; R269-F339 HydrophobicContact CG-CD2 4.47Å; R269-F339 HydrophobicContact CG-CE1 3.76Å; R269-F339 HydrophobicContact CG-CE2 4.02Å; R269-F339 HydrophobicContact CG-CZ 3.64Å; F272-F339 HydrophobicContact CB-CE1 4.46Å; F272-F339 HydrophobicContact CB-CZ 4.23Å; F272-F339 HydrophobicContact CG-CE1 4.45Å; F339-T342 PolarHBondContact O-N 3.42Å; F339-M343 HydrophobicContact CD1-CG 4.36Å; F339-M343 HydrophobicContact CD2-CG 3.99Å; F339-M343 HydrophobicContact CE1-CG 4.03Å; F339-M343 HydrophobicContact CE2-CG 3.64Å; F339-M343 HydrophobicContact CE2-SD 4.38Å; F339-M343 HydrophobicContact CG-CG 4.33Å; F339-M343 HydrophobicContact CZ-CG 3.66Å; F339-M343 WeakPolarHBondContact O-CB 3.37Å; F339-M343 VanDerWaalsContact O-CG 3.26Å; F339-M343 WeakPolarHBondContact O-CG 3.08Å; F339-M343 PolarHBondContact O-N 3.02Å
340L87.9Confident69.7Low2 Ų258.1 Ų58.11%0.0131%0.309CS..Hα-helixtrans-61.4-57.2-177.5-90.4-175.2000113.6W268 F272 L300 F321 F322 G338 T342 M343 I344 W392W268-L340 HydrophobicContact CH2-CD2 3.7Å; F272-L340 HydrophobicContact CE2-CD2 4.11Å; L300-L340 HydrophobicContact CD2-CD1 3.67Å; L300-L340 HydrophobicContact CD2-CD2 4.27Å; F321-L340 HydrophobicContact CB-CD1 4.36Å; F321-L340 WeakPolarHBondContact O-CD1 3Å; F321-L340 WeakPolarHBondContact O-CG 3.18Å; F322-L340 HydrophobicContact CD1-CD1 3.96Å; F322-L340 HydrophobicContact CE1-CD1 4.07Å; G338-L340 VanDerWaalsContact C-N 3.28Å; G338-L340 PolarHBondContact O-N 3.14Å; G338-L340 VanDerWaalsContact O-N 3.11Å; L340-T342 VanDerWaalsContact C-N 3.26Å; L340-T342 PolarHBondContact O-N 2.49Å; L340-M343 PolarHBondContact O-N 3.36Å; L340-I344 HydrophobicContact CD2-CD1 4.23Å; L340-I344 VanDerWaalsContact O-CB 3.32Å; L340-I344 WeakPolarHBondContact O-CB 3.33Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.41Å; L340-I344 PolarHBondContact O-N 3.22Å; L340-W392 HydrophobicContact CB-CH2 3.65Å; L340-W392 HydrophobicContact CB-CZ3 3.81Å; L340-W392 HydrophobicContact CD1-CH2 3.91Å; L340-W392 HydrophobicContact CD1-CZ3 4.31Å; L340-W392 HydrophobicContact CG-CH2 4.46Å
341P87.3Confident72.8Confident9 Ų952 Ų526%0.05827%0.272CS..Hα-helixtrans-58.1-38.2178.99.2-19.6000112.7P337 G338 G345 W392 M394P337-P341 HydrophobicContact CB-CB 3.89Å; P337-P341 HydrophobicContact CB-CG 3.9Å; G338-P341 WeakPolarHBondContact O-CD 3.49Å; G338-P341 VanDerWaalsContact O-CG 3.31Å; G338-P341 WeakPolarHBondContact O-CG 3.46Å; P341-G345 PolarHBondContact O-N 3.2Å; P341-W392 HydrophobicContact CB-CD2 3.9Å; P341-W392 HydrophobicContact CB-CE3 4.1Å; P341-W392 HydrophobicContact CB-CG 4.18Å; P341-W392 HydrophobicContact CG-CD2 4.1Å; P341-W392 HydrophobicContact CG-CE3 4.4Å; P341-W392 HydrophobicContact CG-CH2 4.39Å; P341-W392 HydrophobicContact CG-CZ2 4.04Å; P341-M394 HydrophobicContact CB-CE 3.44Å; P341-M394 VanDerWaalsContact CB-CE 3.44Å; P341-M394 WeakPolarHBondContact O-CE 3.43Å; P341-M394 VanDerWaalsContact O-SD 3.39Å
342T87.2Confident75.8Confident27 Ų2742.4 Ų42.417%0.16623%0.226CC..Hα-helixtrans-64.2-50176.7-53.90000111.7P337 G338 F339 L340 G345 R346P337-T342 WeakPolarHBondContact CG-OG1 3.48Å; P337-T342 PolarHBondContact O-OG1 2.82Å; G338-T342 PolarHBondContact O-N 3.06Å; G338-T342 PolarHBondContact O-OG1 2.8Å; F339-T342 PolarHBondContact O-N 3.42Å; L340-T342 VanDerWaalsContact C-N 3.26Å; L340-T342 PolarHBondContact O-N 2.49Å; T342-G345 PolarHBondContact O-N 3.18Å; T342-R346 WeakPolarHBondContact O-CB 3.42Å; T342-R346 PolarHBondContact O-N 3.5Å
343M92Very high78.8Confident16 Ų1640.6 Ų40.68%0.07922%0.215CC..Hα-helixtrans-70.2-37.7-178.1-66.3-58.6102.200112.8F272 Q273 A276 F339 L340 R346 L347F272-M343 HydrophobicContact CD1-CB 3.54Å; F272-M343 HydrophobicContact CD1-CG 4.22Å; F272-M343 HydrophobicContact CE1-CB 3.41Å; F272-M343 VanDerWaalsContact CE1-CB 3.41Å; F272-M343 HydrophobicContact CZ-CB 4.32Å; Q273-M343 HydrophobicContact CB-SD 4.01Å; Q273-M343 HydrophobicContact CG-SD 3.82Å; A276-M343 HydrophobicContact CB-CB 4.48Å; A276-M343 HydrophobicContact CB-SD 4.37Å; F339-M343 HydrophobicContact CD1-CG 4.36Å; F339-M343 HydrophobicContact CD2-CG 3.99Å; F339-M343 HydrophobicContact CE1-CG 4.03Å; F339-M343 HydrophobicContact CE2-CG 3.64Å; F339-M343 HydrophobicContact CE2-SD 4.38Å; F339-M343 HydrophobicContact CG-CG 4.33Å; F339-M343 HydrophobicContact CZ-CG 3.66Å; F339-M343 WeakPolarHBondContact O-CB 3.37Å; F339-M343 VanDerWaalsContact O-CG 3.26Å; F339-M343 WeakPolarHBondContact O-CG 3.08Å; F339-M343 PolarHBondContact O-N 3.02Å; L340-M343 PolarHBondContact O-N 3.36Å; M343-R346 PolarHBondContact O-N 3.08Å; M343-L347 VanDerWaalsContact O-CB 3.31Å; M343-L347 WeakPolarHBondContact O-CB 3.47Å; M343-L347 PolarHBondContact O-N 2.92Å
344I92.6Very high81.8Confident0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-64.7-43.6173.7-69.3169.9000110.3F272 L300 L340 L347 L348 F382 I386 W392 M394F272-I344 HydrophobicContact CZ-CG1 3.8Å; L300-I344 HydrophobicContact CD1-CD1 4.09Å; L340-I344 HydrophobicContact CD2-CD1 4.23Å; L340-I344 VanDerWaalsContact O-CB 3.32Å; L340-I344 WeakPolarHBondContact O-CB 3.33Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.41Å; L340-I344 PolarHBondContact O-N 3.22Å; I344-L347 PolarHBondContact O-N 3.11Å; I344-L348 HydrophobicContact CG2-CD1 3.78Å; I344-L348 HydrophobicContact CG2-CG 4.3Å; I344-L348 WeakPolarHBondContact O-CB 3.37Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.32Å; I344-F382 HydrophobicContact CD1-CZ 4.47Å; I344-F382 HydrophobicContact CG2-CE1 4.02Å; I344-I386 HydrophobicContact CD1-CD1 4.32Å; I344-W392 HydrophobicContact CD1-CE3 4.3Å; I344-W392 HydrophobicContact CD1-CZ3 3.94Å; I344-M394 HydrophobicContact CG2-CG 4.12Å
345G92Very high84.5Confident21 Ų2127.4 Ų27.422%0.21615%0.154CC..Hα-helixtrans-59-47.7176.600000111.8P341 T342 L348 K349 M394P341-G345 PolarHBondContact O-N 3.2Å; T342-G345 PolarHBondContact O-N 3.18Å; G345-L348 PolarHBondContact O-N 3.37Å; G345-K349 WeakPolarHBondContact O-CB 3.23Å; G345-K349 PolarHBondContact O-N 2.84Å; G345-M394 WeakPolarHBondContact CA-SD 3.24Å
346R92.7Very high86.9Confident61 Ų6123.1 Ų23.123%0.2313%0.128CC..Hα-helixtrans-60.6-47.1176.2-168.4-179.3179.3156-1.9112.3M210 A276 S277 T342 M343 L348 K349 N350M210-R346 PolarHBondContact O-NH2 3.15Å; A276-R346 WeakPolarHBondContact O-CG 3.42Å; S277-R346 PolarHBondContact OG-NE 3.09Å; S277-R346 PolarHBondContact OG-NH1 2.81Å; T342-R346 WeakPolarHBondContact O-CB 3.42Å; T342-R346 PolarHBondContact O-N 3.5Å; M343-R346 PolarHBondContact O-N 3.08Å; R346-L348 PolarHBondContact O-N 2.89Å; R346-K349 PolarHBondContact O-N 2.84Å; R346-N350 PolarHBondContact O-N 3.15Å
347L95.7Very high88.7Confident1 Ų122.1 Ų22.11%0.00513%0.129CC..Hα-helixtrans-57.3-50.3177.2177.265.6000111.6A276 Y289 F292 I296 M343 I344 N350 I351A276-L347 HydrophobicContact CB-CB 4.12Å; Y289-L347 HydrophobicContact CD1-CD1 3.81Å; Y289-L347 HydrophobicContact CE1-CD1 3.78Å; F292-L347 HydrophobicContact CD1-CD1 4.26Å; F292-L347 HydrophobicContact CD1-CD2 4.05Å; F292-L347 HydrophobicContact CE1-CD1 4.1Å; F292-L347 HydrophobicContact CE1-CD2 3.75Å; I296-L347 HydrophobicContact CD1-CD2 4.15Å; M343-L347 VanDerWaalsContact O-CB 3.31Å; M343-L347 WeakPolarHBondContact O-CB 3.47Å; M343-L347 PolarHBondContact O-N 2.92Å; I344-L347 PolarHBondContact O-N 3.11Å; L347-N350 PolarHBondContact O-N 2.72Å; L347-I351 HydrophobicContact CD1-CD1 4Å; L347-I351 HydrophobicContact CG-CD1 4.01Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 3.12Å
348L95.7Very high90Very high1 Ų119.6 Ų19.61%0.00511%0.112CC..Hα-helixtrans-65.8-40.4-179.5-70.9173.5000112I344 G345 R346 N350 I351 Y352 A379 F382 A383 M394I344-L348 HydrophobicContact CG2-CD1 3.78Å; I344-L348 HydrophobicContact CG2-CG 4.3Å; I344-L348 WeakPolarHBondContact O-CB 3.37Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.32Å; G345-L348 PolarHBondContact O-N 3.37Å; R346-L348 PolarHBondContact O-N 2.89Å; L348-N350 PolarHBondContact O-N 3.41Å; L348-I351 PolarHBondContact O-N 3.09Å; L348-Y352 HydrophobicContact CB-CD2 4.45Å; L348-Y352 HydrophobicContact CB-CE2 4.08Å; L348-Y352 WeakPolarHBondContact O-CB 3.41Å; L348-Y352 WeakPolarHBondContact O-CD2 3.37Å; L348-Y352 VanDerWaalsContact O-CG 3.27Å; L348-Y352 PolarHBondContact O-N 3.44Å; L348-A379 HydrophobicContact CD2-CB 3.83Å; L348-F382 HydrophobicContact CD2-CD1 4.32Å; L348-A383 HydrophobicContact CD1-CB 3.69Å; L348-A383 HydrophobicContact CD2-CB 4.33Å; L348-M394 HydrophobicContact CD1-CB 3.7Å; L348-M394 HydrophobicContact CD1-CG 4.27Å
349K93.6Very high90.4Very high73 Ų7323.2 Ų23.232%0.31713%0.129SC..Hα-helixtrans-55.8-49.8174.3174.9-175172.2-1710110.9G345 R346 Y352 S353 L401 E415G345-K349 WeakPolarHBondContact O-CB 3.23Å; G345-K349 PolarHBondContact O-N 2.84Å; R346-K349 PolarHBondContact O-N 2.84Å; K349-Y352 PolarHBondContact O-N 3.48Å; K349-S353 WeakPolarHBondContact O-CB 3.42Å; K349-S353 PolarHBondContact O-N 2.69Å; K349-L401 HydrophobicContact CD-CD1 4.14Å; K349-E415 IonicContact NZ-OE1 3.41Å
350N94.8Very high90Very high16 Ų1626.5 Ų26.59%0.08615%0.151CC..Hα-helixtrans-63.9-43.9-179.4-69.7-4.4000111.5A276 E279 I282 R346 L347 L348 S353 V354A276-N350 PolarHBondContact O-ND2 3.33Å; E279-N350 HydrophobicContact CB-CB 4.34Å; E279-N350 HydrophobicContact CG-CB 4.31Å; I282-N350 HydrophobicContact CD1-CB 3.57Å; R346-N350 PolarHBondContact O-N 3.15Å; L347-N350 PolarHBondContact O-N 2.72Å; L348-N350 PolarHBondContact O-N 3.41Å; N350-S353 PolarHBondContact O-N 3.5Å; N350-V354 WeakPolarHBondContact O-CG2 3.08Å; N350-V354 PolarHBondContact O-N 2.85Å
351I95.4Very high89.8Confident0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-61.7-48.5177.5-67.7169.5000111.1I282 Y289 I293 L347 L348 S353 V354 C355 L375 A379I282-I351 HydrophobicContact CD1-CB 4.47Å; I282-I351 HydrophobicContact CD1-CG1 3.75Å; I282-I351 HydrophobicContact CG1-CG1 4.4Å; I282-I351 HydrophobicContact CG2-CG1 4.47Å; Y289-I351 HydrophobicContact CD1-CD1 4.49Å; I293-I351 HydrophobicContact CD1-CD1 3.8Å; L347-I351 HydrophobicContact CD1-CD1 4Å; L347-I351 HydrophobicContact CG-CD1 4.01Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 3.12Å; L348-I351 PolarHBondContact O-N 3.09Å; I351-S353 PolarHBondContact O-N 3.07Å; I351-V354 PolarHBondContact O-N 2.95Å; I351-C355 VanDerWaalsContact O-CB 3.28Å; I351-C355 WeakPolarHBondContact O-CB 3.13Å; I351-C355 PolarHBondContact O-N 3.24Å; I351-C355 PolarHBondContact O-SG 3.37Å; I351-L375 HydrophobicContact CD1-CD1 4.27Å; I351-L375 HydrophobicContact CG2-CD2 4.25Å; I351-L375 HydrophobicContact CG2-CG 3.93Å; I351-A379 HydrophobicContact CD1-CB 4.29Å; I351-A379 HydrophobicContact CG2-CB 3.79Å
352Y93.7Very high89.3Confident7 Ų739.9 Ų39.93%0.02721%0.214CC..Hα-helixtrans-66.2-38.2-179.2-64.2-35.7000112.6L348 K349 T356 F376 A379 D380 A383 Y398L348-Y352 HydrophobicContact CB-CD2 4.45Å; L348-Y352 HydrophobicContact CB-CE2 4.08Å; L348-Y352 WeakPolarHBondContact O-CB 3.41Å; L348-Y352 WeakPolarHBondContact O-CD2 3.37Å; L348-Y352 VanDerWaalsContact O-CG 3.27Å; L348-Y352 PolarHBondContact O-N 3.44Å; K349-Y352 PolarHBondContact O-N 3.48Å; Y352-T356 WeakPolarHBondContact O-CB 3.49Å; Y352-T356 PolarHBondContact O-N 3.21Å; Y352-T356 PolarHBondContact O-OG1 2.97Å; Y352-F376 AromaticContact CD1-CD2 3.71Å; Y352-F376 HydrophobicContact CD1-CD2 3.71Å; Y352-F376 AromaticContact CD1-CE2 3.47Å; Y352-F376 HydrophobicContact CD1-CE2 3.47Å; Y352-F376 VanDerWaalsContact CD1-CE2 3.47Å; Y352-F376 HydrophobicContact CD1-CZ 4.32Å; Y352-F376 HydrophobicContact CE1-CD2 4.23Å; Y352-F376 HydrophobicContact CE1-CE2 4Å; Y352-F376 HydrophobicContact CE1-CZ 4.48Å; Y352-F376 HydrophobicContact CG-CE2 4.37Å; Y352-A379 HydrophobicContact CE1-CB 4.09Å; Y352-A379 PolarHBondContact OH-O 2.94Å; Y352-D380 WeakPolarHBondContact OH-CA 3.01Å; Y352-A383 WeakPolarHBondContact OH-CB 3.46Å; Y352-Y398 VanDerWaalsContact CB-CE2 3.48Å; Y352-Y398 VanDerWaalsContact CB-CZ 3.43Å; Y352-Y398 AromaticContact CD2-CD1 3.99Å; Y352-Y398 HydrophobicContact CD2-CD1 3.99Å; Y352-Y398 HydrophobicContact CD2-CD2 4.16Å; Y352-Y398 HydrophobicContact CD2-CE1 4.41Å; Y352-Y398 AromaticContact CD2-CG 3.84Å; Y352-Y398 HydrophobicContact CD2-CG 3.84Å; Y352-Y398 HydrophobicContact CG-CD1 4.39Å; Y352-Y398 HydrophobicContact CG-CE1 4.36Å; Y352-Y398 HydrophobicContact CG-CG 4.47Å; Y352-Y398 PolarHBondContact O-OH 3.39Å
353S90.7Very high88.9Confident47 Ų4743.1 Ų43.133%0.32923%0.234SC..Hα-helixtrans-55-57.1173.41780000110.7E279 K349 N350 I351 T356 S357E279-S353 VanDerWaalsContact OE1-CB 3.32Å; E279-S353 WeakPolarHBondContact OE1-CB 3.43Å; E279-S353 PolarHBondContact OE1-OG 3.28Å; K349-S353 WeakPolarHBondContact O-CB 3.42Å; K349-S353 PolarHBondContact O-N 2.69Å; N350-S353 PolarHBondContact O-N 3.5Å; I351-S353 PolarHBondContact O-N 3.07Å; S353-T356 PolarHBondContact O-N 2.95Å; S353-S357 WeakPolarHBondContact O-CB 3.41Å; S353-S357 PolarHBondContact O-N 2.98Å; S353-S357 PolarHBondContact O-OG 3.06Å
354V91.5Very high88.4Confident6 Ų643.4 Ų43.44%0.03624%0.237CC..Hα-helixtrans-61.1-53.9-178.4170.30000111.4E279 I282 V283 N350 I351 T356 S357 D358 L372E279-V354 HydrophobicContact CG-CG2 3.52Å; I282-V354 HydrophobicContact CB-CG1 4.38Å; I282-V354 HydrophobicContact CB-CG2 4.34Å; I282-V354 HydrophobicContact CD1-CG2 4.45Å; I282-V354 HydrophobicContact CG2-CB 4.21Å; I282-V354 HydrophobicContact CG2-CG1 3.96Å; V283-V354 HydrophobicContact CG2-CG1 3.35Å; V283-V354 HydrophobicContact CG2-CG2 4.44Å; N350-V354 WeakPolarHBondContact O-CG2 3.08Å; N350-V354 PolarHBondContact O-N 2.85Å; I351-V354 PolarHBondContact O-N 2.95Å; V354-T356 PolarHBondContact O-N 2.98Å; V354-S357 PolarHBondContact O-N 2.84Å; V354-S357 PolarHBondContact O-OG 2.94Å; V354-D358 PolarHBondContact O-N 3.19Å; V354-L372 HydrophobicContact CG1-CD1 4.49Å; V354-L372 HydrophobicContact CG1-CD2 4.2Å
355C90Very high88.1Confident1 Ų147.8 Ų47.81%0.00727%0.266CS..Hα-helixtrans-62.6-40.5-177.3-68.30000112.3I351 D358 I359 L372 F376I351-C355 VanDerWaalsContact O-CB 3.28Å; I351-C355 WeakPolarHBondContact O-CB 3.13Å; I351-C355 PolarHBondContact O-N 3.24Å; I351-C355 PolarHBondContact O-SG 3.37Å; C355-D358 PolarHBondContact O-N 3.37Å; C355-I359 WeakPolarHBondContact O-CD1 3.43Å; C355-I359 WeakPolarHBondContact O-CG1 3.28Å; C355-I359 PolarHBondContact O-N 2.77Å; C355-L372 PolarHBondContact SG-O 2.85Å; C355-F376 HydrophobicContact CB-CB 3.92Å; C355-F376 HydrophobicContact CB-CD2 3.62Å; C355-F376 HydrophobicContact CB-CG 4.19Å
356T87.9Confident87.7Confident41 Ų4151.4 Ų51.425%0.25229%0.288SS..Hα-helixtrans-66.9-40178.1-54.10000111Y352 S353 V354 D358 I359 T360 Y398Y352-T356 WeakPolarHBondContact O-CB 3.49Å; Y352-T356 PolarHBondContact O-N 3.21Å; Y352-T356 PolarHBondContact O-OG1 2.97Å; S353-T356 PolarHBondContact O-N 2.95Å; V354-T356 PolarHBondContact O-N 2.98Å; T356-D358 VanDerWaalsContact C-N 3.35Å; T356-D358 PolarHBondContact O-N 3.26Å; T356-I359 PolarHBondContact O-N 3.47Å; T356-T360 WeakPolarHBondContact O-CG2 3.4Å; T356-T360 PolarHBondContact O-N 3.45Å; T356-T360 VanDerWaalsContact O-N 3.11Å; T356-T360 PolarHBondContact O-OG1 2.59Å; T356-Y398 PolarHBondContact OG1-OH 2.88Å; T356-Y398 VanDerWaalsContact OG1-OH 3.08Å
357S86.1Confident87.4Confident49 Ų4955.4 Ų55.434%0.34331%0.309SS..Hα-helixtrans-63.9-38.1177.6780000112.6S353 V354 T360 N361S353-S357 WeakPolarHBondContact O-CB 3.41Å; S353-S357 PolarHBondContact O-N 2.98Å; S353-S357 PolarHBondContact O-OG 3.06Å; V354-S357 PolarHBondContact O-N 2.84Å; V354-S357 PolarHBondContact O-OG 2.94Å; S357-T360 PolarHBondContact O-OG1 3.31Å; S357-T360 VanDerWaalsContact O-OG1 3.07Å; S357-N361 WeakPolarHBondContact O-CB 3.39Å; S357-N361 PolarHBondContact O-N 3.06Å
358D85.6Confident87.1Confident2 Ų257 Ų571%0.01132%0.319CS..Hα-helixtrans-71.9-39176.1-172.957.9000111.9V354 C355 T356 T360 K362 T363 C364 S369 L372V354-D358 PolarHBondContact O-N 3.19Å; C355-D358 PolarHBondContact O-N 3.37Å; T356-D358 VanDerWaalsContact C-N 3.35Å; T356-D358 PolarHBondContact O-N 3.26Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.83Å; D358-K362 WeakPolarHBondContact O-CA 3.45Å; D358-K362 PolarHBondContact O-N 3.48Å; D358-T363 PolarHBondContact OD1-N 3.41Å; D358-T363 PolarHBondContact OD1-OG1 2.9Å; D358-C364 WeakPolarHBondContact OD1-CB 3.43Å; D358-C364 PolarHBondContact OD1-N 2.93Å; D358-C364 PolarHBondContact OD1-SG 3.09Å; D358-S369 WeakPolarHBondContact OD2-CA 3.22Å; D358-S369 WeakPolarHBondContact OD2-CB 3.19Å; D358-S369 PolarHBondContact OD2-OG 2.8Å; D358-L372 HydrophobicContact CB-CD1 4.09Å
359I79.8Confident86.8Confident83 Ų8357.9 Ų57.943%0.42633%0.325SS..Hα-helixtrans-60.5-39.1176.1-70.4163.5000111.5C355 T356C355-I359 WeakPolarHBondContact O-CD1 3.43Å; C355-I359 WeakPolarHBondContact O-CG1 3.28Å; C355-I359 PolarHBondContact O-N 2.77Å; T356-I359 PolarHBondContact O-N 3.47Å
360T78.9Confident86.8Confident94 Ų9459.7 Ų59.758%0.57734%0.338SS*.Hα-helixtrans-80.6-45.1-178560000112.8T356 S357 D358T356-T360 WeakPolarHBondContact O-CG2 3.4Å; T356-T360 PolarHBondContact O-N 3.45Å; T356-T360 VanDerWaalsContact O-N 3.11Å; T356-T360 PolarHBondContact O-OG1 2.59Å; S357-T360 PolarHBondContact O-OG1 3.31Å; S357-T360 VanDerWaalsContact O-OG1 3.07Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.83Å
361N82Confident86.8Confident119 Ų11960.8 Ų60.864%0.63634%0.344SS*.Hα-helixtrans-101.8-13-170.5-64.8-31.3000114S357 T363S357-N361 WeakPolarHBondContact O-CB 3.39Å; S357-N361 PolarHBondContact O-N 3.06Å; N361-T363 VanDerWaalsContact C-N 3.34Å; N361-T363 HydrophobicContact CB-CG2 3.79Å; N361-T363 PolarHBondContact O-N 3.46Å
362K77.5Confident86.7Confident173 Ų17360.9 Ų60.975%0.75234%0.344SS*.  trans46.655-172.8-65.8-175.2178-179.10112.2D358D358-K362 WeakPolarHBondContact O-CA 3.45Å; D358-K362 PolarHBondContact O-N 3.48Å
363T78.9Confident86.7Confident95 Ų9563 Ų6358%0.58336%0.356SS*.  trans-76.1-27.3-17746.60000112.1D358 N361D358-T363 PolarHBondContact OD1-N 3.41Å; D358-T363 PolarHBondContact OD1-OG1 2.9Å; N361-T363 VanDerWaalsContact C-N 3.34Å; N361-T363 HydrophobicContact CB-CG2 3.79Å; N361-T363 PolarHBondContact O-N 3.46Å
364C81.7Confident86.9Confident22 Ų2264.9 Ų64.915%0.14936%0.362CS..SBendtrans-96156.8-174.4-55.90000112.8D358 T368 L372D358-C364 WeakPolarHBondContact OD1-CB 3.43Å; D358-C364 PolarHBondContact OD1-N 2.93Å; D358-C364 PolarHBondContact OD1-SG 3.09Å; C364-T368 HydrophobicContact CB-CG2 4.09Å; C364-L372 HydrophobicContact CB-CD1 4.46Å
365P85.1Confident87.1Confident91 Ų9164.6 Ų64.659%0.59136%0.361SS*.  trans-55.2153.1168.3-23.133.7000112.1E367 T368 S369P365-E367 PolarHBondContact O-N 3.16Å; P365-E367 VanDerWaalsContact O-N 3.16Å; P365-T368 PolarHBondContact O-N 2.76Å; P365-S369 WeakPolarHBondContact O-CB 3.42Å; P365-S369 PolarHBondContact O-N 3.29Å
366S84.5Confident87.3Confident97 Ų9767.4 Ų67.468%0.67837%0.373SS*.Hα-helixtrans-57.9-34.6-174.657.60000114.1N370S366-N370 VanDerWaalsContact O-CG 3.24Å; S366-N370 PolarHBondContact O-N 3.42Å; S366-N370 VanDerWaalsContact O-N 3.11Å; S366-N370 PolarHBondContact O-ND2 2.85Å
367E87.1Confident87.6Confident146 Ų14672.3 Ų72.368%0.68239%0.391SS*.Hα-helixtrans-67.8-51.3177.7-173.1172.3-172.700111.2P365 S369 N370 I371P365-E367 PolarHBondContact O-N 3.16Å; P365-E367 VanDerWaalsContact O-N 3.16Å; E367-S369 VanDerWaalsContact C-N 3.31Å; E367-S369 PolarHBondContact O-N 2.82Å; E367-N370 WeakPolarHBondContact O-CB 3.35Å; E367-N370 PolarHBondContact O-N 2.96Å; E367-N370 VanDerWaalsContact O-N 3.16Å; E367-I371 WeakPolarHBondContact O-CG1 3.26Å; E367-I371 PolarHBondContact O-N 2.97Å
368T88.4Confident88.1Confident34 Ų3474.3 Ų74.321%0.20939%0.391CS..Hα-helixtrans-57.6-43.6174.6-49.70000111.5P286 C364 P365 N370 I371 L372P286-T368 HydrophobicContact CG-CG2 4.46Å; C364-T368 HydrophobicContact CB-CG2 4.09Å; P365-T368 PolarHBondContact O-N 2.76Å; T368-N370 VanDerWaalsContact C-N 3.31Å; T368-N370 PolarHBondContact O-N 3.04Å; T368-I371 PolarHBondContact O-N 2.87Å; T368-I371 VanDerWaalsContact O-N 3.13Å; T368-L372 HydrophobicContact CG2-CD1 4.22Å; T368-L372 HydrophobicContact CG2-CG 4.38Å; T368-L372 WeakPolarHBondContact O-CG 3.28Å; T368-L372 PolarHBondContact O-N 2.85Å
369S90Very high88.5Confident20 Ų2074.2 Ų74.214%0.1439%0.39CS..Hα-helixtrans-61.3-37.6178.2-168.80000112.3D358 P365 E367 L372 N373D358-S369 WeakPolarHBondContact OD2-CA 3.22Å; D358-S369 WeakPolarHBondContact OD2-CB 3.19Å; D358-S369 PolarHBondContact OD2-OG 2.8Å; P365-S369 WeakPolarHBondContact O-CB 3.42Å; P365-S369 PolarHBondContact O-N 3.29Å; E367-S369 VanDerWaalsContact C-N 3.31Å; E367-S369 PolarHBondContact O-N 2.82Å; S369-L372 PolarHBondContact O-N 2.91Å; S369-N373 WeakPolarHBondContact O-CB 3.28Å; S369-N373 PolarHBondContact O-N 3.19Å; S369-N373 PolarHBondContact O-ND2 2.57Å
370N92.7Very high89.2Confident111 Ų11173 Ų7359%0.59439%0.385SS*.Hα-helixtrans-64.8-41.1174.4-72-26.7000112.1S366 E367 T368 N373 D374S366-N370 VanDerWaalsContact O-CG 3.24Å; S366-N370 PolarHBondContact O-N 3.42Å; S366-N370 VanDerWaalsContact O-N 3.11Å; S366-N370 PolarHBondContact O-ND2 2.85Å; E367-N370 WeakPolarHBondContact O-CB 3.35Å; E367-N370 PolarHBondContact O-N 2.96Å; E367-N370 VanDerWaalsContact O-N 3.16Å; T368-N370 VanDerWaalsContact C-N 3.31Å; T368-N370 PolarHBondContact O-N 3.04Å; N370-N373 PolarHBondContact O-N 3.24Å; N370-D374 PolarHBondContact O-N 3.38Å; N370-D374 VanDerWaalsContact O-N 3.14Å
371I94.5Very high89.9Confident39 Ų3970.6 Ų70.620%0.238%0.378CS..Hα-helixtrans-67.9-41.5177.6-55.8168.7000110.3P286 N287 I290 E367 T368 N373 D374 L375P286-I371 HydrophobicContact CB-CB 4.34Å; P286-I371 HydrophobicContact CB-CG2 3.69Å; P286-I371 HydrophobicContact CG-CB 4.24Å; P286-I371 HydrophobicContact CG-CG2 3.84Å; N287-I371 WeakPolarHBondContact OD1-CG2 3.3Å; I290-I371 HydrophobicContact CD1-CG2 3.56Å; E367-I371 WeakPolarHBondContact O-CG1 3.26Å; E367-I371 PolarHBondContact O-N 2.97Å; T368-I371 PolarHBondContact O-N 2.87Å; T368-I371 VanDerWaalsContact O-N 3.13Å; I371-N373 VanDerWaalsContact C-N 3.29Å; I371-N373 PolarHBondContact O-N 2.88Å; I371-D374 WeakPolarHBondContact O-CB 3.28Å; I371-D374 PolarHBondContact O-N 2.97Å; I371-D374 VanDerWaalsContact O-N 3.1Å; I371-L375 WeakPolarHBondContact O-CB 3.3Å; I371-L375 PolarHBondContact O-N 3.33Å
372L94.8Very high90.5Very high1 Ų165.2 Ų65.21%0.00535%0.349CS..Hα-helixtrans-61.7-36.2175-71.7175.9000112.3I282 P286 V354 C355 D358 C364 T368 S369 D374 L375 F376I282-L372 HydrophobicContact CG2-CD2 4.12Å; P286-L372 HydrophobicContact CB-CD2 4.02Å; V354-L372 HydrophobicContact CG1-CD1 4.49Å; V354-L372 HydrophobicContact CG1-CD2 4.2Å; C355-L372 PolarHBondContact SG-O 2.85Å; D358-L372 HydrophobicContact CB-CD1 4.09Å; C364-L372 HydrophobicContact CB-CD1 4.46Å; T368-L372 HydrophobicContact CG2-CD1 4.22Å; T368-L372 HydrophobicContact CG2-CG 4.38Å; T368-L372 WeakPolarHBondContact O-CG 3.28Å; T368-L372 PolarHBondContact O-N 2.85Å; S369-L372 PolarHBondContact O-N 2.91Å; L372-D374 VanDerWaalsContact C-N 3.35Å; L372-L375 HydrophobicContact CD2-CD2 4.36Å; L372-L375 PolarHBondContact O-N 2.9Å; L372-F376 WeakPolarHBondContact O-CB 3.21Å; L372-F376 PolarHBondContact O-N 2.8Å
373N92.7Very high91.2Very high52 Ų5257 Ų5728%0.27831%0.313SS..Hα-helixtrans-66.5-35.6173.6-78.7-54.7000112.6S369 N370 I371 K377S369-N373 WeakPolarHBondContact O-CB 3.28Å; S369-N373 PolarHBondContact O-N 3.19Å; S369-N373 PolarHBondContact O-ND2 2.57Å; N370-N373 PolarHBondContact O-N 3.24Å; I371-N373 VanDerWaalsContact C-N 3.29Å; I371-N373 PolarHBondContact O-N 2.88Å; N373-K377 WeakPolarHBondContact O-CG 3.3Å; N373-K377 PolarHBondContact O-N 3.18Å
374D94.9Very high91.8Very high86 Ų8657.1 Ų57.146%0.4631%0.307SS..Hα-helixtrans-70.1-45173.6-169.645000111.4I290 N370 I371 L372 F376 K377 R378I290-D374 HydrophobicContact CD1-CB 4.49Å; N370-D374 PolarHBondContact O-N 3.38Å; N370-D374 VanDerWaalsContact O-N 3.14Å; I371-D374 WeakPolarHBondContact O-CB 3.28Å; I371-D374 PolarHBondContact O-N 2.97Å; I371-D374 VanDerWaalsContact O-N 3.1Å; L372-D374 VanDerWaalsContact C-N 3.35Å; D374-F376 VanDerWaalsContact C-N 3.29Å; D374-F376 PolarHBondContact O-N 3.15Å; D374-K377 PolarHBondContact O-N 2.9Å; D374-K377 VanDerWaalsContact O-N 3.17Å; D374-R378 WeakPolarHBondContact O-CB 3.5Å; D374-R378 PolarHBondContact O-N 3.13Å
375L96.2Very high92.2Very high0 Ų058.2 Ų58.20%031%0.311CS..Hα-helixtrans-55.6-44.3174177.558.8000111.5I282 I290 I293 I351 I371 L372 K377 R378 A379I282-L375 HydrophobicContact CG2-CD2 3.62Å; I290-L375 HydrophobicContact CD1-CB 4.26Å; I290-L375 HydrophobicContact CG1-CB 3.85Å; I290-L375 HydrophobicContact CG1-CD1 3.8Å; I290-L375 HydrophobicContact CG1-CG 4.36Å; I293-L375 HydrophobicContact CD1-CD1 3.72Å; I351-L375 HydrophobicContact CD1-CD1 4.27Å; I351-L375 HydrophobicContact CG2-CD2 4.25Å; I351-L375 HydrophobicContact CG2-CG 3.93Å; I371-L375 WeakPolarHBondContact O-CB 3.3Å; I371-L375 PolarHBondContact O-N 3.33Å; L372-L375 HydrophobicContact CD2-CD2 4.36Å; L372-L375 PolarHBondContact O-N 2.9Å; L375-K377 PolarHBondContact O-N 2.83Å; L375-R378 PolarHBondContact O-N 3.25Å; L375-A379 WeakPolarHBondContact O-CB 3.49Å; L375-A379 PolarHBondContact O-N 2.9Å
376F94.7Very high92.3Very high61 Ų6153.9 Ų53.927%0.26828%0.283SS..Hα-helixtrans-57.5-49.6176.3-178.2-91.1000112Y352 C355 L372 D374 R378 A379 D380Y352-F376 AromaticContact CD1-CD2 3.71Å; Y352-F376 HydrophobicContact CD1-CD2 3.71Å; Y352-F376 AromaticContact CD1-CE2 3.47Å; Y352-F376 HydrophobicContact CD1-CE2 3.47Å; Y352-F376 VanDerWaalsContact CD1-CE2 3.47Å; Y352-F376 HydrophobicContact CD1-CZ 4.32Å; Y352-F376 HydrophobicContact CE1-CD2 4.23Å; Y352-F376 HydrophobicContact CE1-CE2 4Å; Y352-F376 HydrophobicContact CE1-CZ 4.48Å; Y352-F376 HydrophobicContact CG-CE2 4.37Å; C355-F376 HydrophobicContact CB-CB 3.92Å; C355-F376 HydrophobicContact CB-CD2 3.62Å; C355-F376 HydrophobicContact CB-CG 4.19Å; L372-F376 WeakPolarHBondContact O-CB 3.21Å; L372-F376 PolarHBondContact O-N 2.8Å; D374-F376 VanDerWaalsContact C-N 3.29Å; D374-F376 PolarHBondContact O-N 3.15Å; F376-R378 VanDerWaalsContact C-N 3.28Å; F376-R378 PolarHBondContact O-N 2.89Å; F376-A379 PolarHBondContact O-N 3.15Å; F376-D380 WeakPolarHBondContact O-CB 3.49Å; F376-D380 PolarHBondContact O-N 3.29Å
377K94.2Very high92.4Very high143 Ų14353 Ų5362%0.62227%0.267SS*.Hα-helixtrans-62.5-38178.7-69.6171.1-174171.10111.7N373 D374 L375 D380 G381N373-K377 WeakPolarHBondContact O-CG 3.3Å; N373-K377 PolarHBondContact O-N 3.18Å; D374-K377 PolarHBondContact O-N 2.9Å; D374-K377 VanDerWaalsContact O-N 3.17Å; L375-K377 PolarHBondContact O-N 2.83Å; K377-D380 PolarHBondContact O-N 3.11Å; K377-G381 PolarHBondContact O-N 3.45Å
378R95.5Very high92.2Very high92 Ų9253 Ų5335%0.34727%0.267SS..Hα-helixtrans-69.8-43179.8-163161.8-150.7-158.6-6.9112.1I290 I293 T294 D374 L375 F376 D380 G381 F382I290-R378 PolarHBondContact O-NH1 3.13Å; I290-R378 VanDerWaalsContact O-NH1 3.1Å; I293-R378 HydrophobicContact CG2-CG 4.14Å; T294-R378 PolarHBondContact OG1-NH1 2.76Å; T294-R378 PolarHBondContact OG1-NH2 3.38Å; D374-R378 WeakPolarHBondContact O-CB 3.5Å; D374-R378 PolarHBondContact O-N 3.13Å; L375-R378 PolarHBondContact O-N 3.25Å; F376-R378 VanDerWaalsContact C-N 3.28Å; F376-R378 PolarHBondContact O-N 2.89Å; R378-D380 VanDerWaalsContact C-N 3.34Å; R378-G381 PolarHBondContact O-N 3.34Å; R378-F382 WeakPolarHBondContact O-CB 3.27Å; R378-F382 PolarHBondContact O-N 2.73Å
379A95.5Very high91.9Very high0 Ų055.7 Ų55.70%027%0.273CS..Hα-helixtrans-61.5-42172.600000111.5I293 L348 I351 Y352 L375 F376 F382 A383I293-A379 HydrophobicContact CD1-CB 3.97Å; L348-A379 HydrophobicContact CD2-CB 3.83Å; I351-A379 HydrophobicContact CD1-CB 4.29Å; I351-A379 HydrophobicContact CG2-CB 3.79Å; Y352-A379 HydrophobicContact CE1-CB 4.09Å; Y352-A379 PolarHBondContact OH-O 2.94Å; L375-A379 WeakPolarHBondContact O-CB 3.49Å; L375-A379 PolarHBondContact O-N 2.9Å; F376-A379 PolarHBondContact O-N 3.15Å; A379-F382 PolarHBondContact O-N 2.75Å; A379-A383 WeakPolarHBondContact O-CB 3.27Å; A379-A383 PolarHBondContact O-N 3.41Å
380D93.6Very high91.6Very high57 Ų5756.2 Ų56.231%0.30527%0.273SS..Hα-helixtrans-61.6-48174.4-169.261.3000112.6Y352 F376 K377 R378 F382 A383 H384Y352-D380 WeakPolarHBondContact OH-CA 3.01Å; F376-D380 WeakPolarHBondContact O-CB 3.49Å; F376-D380 PolarHBondContact O-N 3.29Å; K377-D380 PolarHBondContact O-N 3.11Å; R378-D380 VanDerWaalsContact C-N 3.34Å; D380-F382 VanDerWaalsContact C-N 3.31Å; D380-F382 PolarHBondContact O-N 3.41Å; D380-A383 PolarHBondContact O-N 3.1Å; D380-H384 PolarHBondContact O-N 2.93Å; D380-H384 PolarHBondContact O-ND1 3.49Å; D380-H384 IonicContact OD1-CE1 3.33Å; D380-H384 PolarHBondContact OD1-CE1 3.19Å; D380-H384 VanDerWaalsContact OD1-CE1 3.29Å; D380-H384 IonicContact OD1-ND1 2.93Å; D380-H384 IonicContact OD2-CE1 2.59Å; D380-H384 PolarHBondContact OD2-CE1 2.87Å; D380-H384 IonicContact OD2-ND1 3.82Å
381G94Very high91Very high43 Ų4358.4 Ų58.444%0.44328%0.277SS..Hα-helixtrans-60.7-39.9174.700000112.9K377 R378 N385K377-G381 PolarHBondContact O-N 3.45Å; R378-G381 PolarHBondContact O-N 3.34Å; G381-N385 PolarHBondContact O-N 2.84Å
382F94.7Very high90.4Very high7 Ų758.2 Ų58.23%0.03127%0.274CS..Hα-helixtrans-64.4-47.1175.4179.2-115.7000111.7I293 I296 Y297 L300 I344 L348 R378 A379 D380 H384 N385 I386I293-F382 HydrophobicContact CG2-CB 3.74Å; I293-F382 HydrophobicContact CG2-CD1 4.25Å; I293-F382 HydrophobicContact CG2-CD2 4.21Å; I293-F382 HydrophobicContact CG2-CG 3.81Å; I296-F382 HydrophobicContact CB-CZ 4.41Å; I296-F382 HydrophobicContact CG2-CE2 4.21Å; I296-F382 HydrophobicContact CG2-CZ 3.69Å; Y297-F382 HydrophobicContact CD2-CD2 4.3Å; L300-F382 HydrophobicContact CD1-CE2 4.36Å; L300-F382 HydrophobicContact CD1-CZ 4.14Å; I344-F382 HydrophobicContact CD1-CZ 4.47Å; I344-F382 HydrophobicContact CG2-CE1 4.02Å; L348-F382 HydrophobicContact CD2-CD1 4.32Å; R378-F382 WeakPolarHBondContact O-CB 3.27Å; R378-F382 PolarHBondContact O-N 2.73Å; A379-F382 PolarHBondContact O-N 2.75Å; D380-F382 VanDerWaalsContact C-N 3.31Å; D380-F382 PolarHBondContact O-N 3.41Å; F382-H384 VanDerWaalsContact C-N 3.33Å; F382-H384 PolarHBondContact O-N 3.04Å; F382-N385 WeakPolarHBondContact O-CA 3.32Å; F382-N385 WeakPolarHBondContact O-CB 3.26Å; F382-N385 PolarHBondContact O-N 3.13Å; F382-I386 HydrophobicContact CD1-CG1 4.33Å; F382-I386 HydrophobicContact CD2-CD1 4.5Å; F382-I386 HydrophobicContact CD2-CG1 4.2Å; F382-I386 HydrophobicContact CE1-CD1 4.45Å; F382-I386 HydrophobicContact CE1-CG1 3.95Å; F382-I386 HydrophobicContact CE2-CD1 3.73Å; F382-I386 HydrophobicContact CE2-CG1 3.81Å; F382-I386 HydrophobicContact CG-CG1 4.44Å; F382-I386 HydrophobicContact CZ-CD1 3.7Å; F382-I386 HydrophobicContact CZ-CG1 3.67Å; F382-I386 WeakPolarHBondContact O-CG1 3.28Å; F382-I386 PolarHBondContact O-N 2.96Å
383A92.7Very high89.7Confident0 Ų061 Ų610%029%0.289CS..Hα-helixtrans-59.2-42.5178.100000112.2L348 Y352 A379 D380 N385 I386 K387 I395L348-A383 HydrophobicContact CD1-CB 3.69Å; L348-A383 HydrophobicContact CD2-CB 4.33Å; Y352-A383 WeakPolarHBondContact OH-CB 3.46Å; A379-A383 WeakPolarHBondContact O-CB 3.27Å; A379-A383 PolarHBondContact O-N 3.41Å; D380-A383 PolarHBondContact O-N 3.1Å; A383-N385 VanDerWaalsContact C-N 3.35Å; A383-N385 PolarHBondContact O-N 3.19Å; A383-I386 PolarHBondContact O-N 3.26Å; A383-K387 WeakPolarHBondContact O-CB 3.26Å; A383-K387 PolarHBondContact O-N 2.9Å; A383-I395 HydrophobicContact CB-CD1 3.94Å; A383-I395 HydrophobicContact CB-CG1 3.7Å
384H91.1Very high88.8Confident98 Ų9859.7 Ų59.745%0.45428%0.282SS..Hα-helixtrans-63.4-39.4173.9-74.889.8000112.4D380 F382 H388D380-H384 PolarHBondContact O-N 2.93Å; D380-H384 PolarHBondContact O-ND1 3.49Å; D380-H384 IonicContact OD1-CE1 3.33Å; D380-H384 PolarHBondContact OD1-CE1 3.19Å; D380-H384 VanDerWaalsContact OD1-CE1 3.29Å; D380-H384 IonicContact OD1-ND1 2.93Å; D380-H384 IonicContact OD2-CE1 2.59Å; D380-H384 PolarHBondContact OD2-CE1 2.87Å; D380-H384 IonicContact OD2-ND1 3.82Å; F382-H384 VanDerWaalsContact C-N 3.33Å; F382-H384 PolarHBondContact O-N 3.04Å; H384-H388 WeakPolarHBondContact O-CB 3.38Å; H384-H388 PolarHBondContact O-N 3.34Å
385N89.6Confident87.4Confident44 Ų4456.6 Ų56.624%0.23527%0.265CS..Hα-helixtrans-62.8-46.8175.4-176.7-94.4000111.5G381 F382 A383 H388 R389G381-N385 PolarHBondContact O-N 2.84Å; F382-N385 WeakPolarHBondContact O-CA 3.32Å; F382-N385 WeakPolarHBondContact O-CB 3.26Å; F382-N385 PolarHBondContact O-N 3.13Å; A383-N385 VanDerWaalsContact C-N 3.35Å; A383-N385 PolarHBondContact O-N 3.19Å; N385-H388 PolarHBondContact O-N 3.4Å; N385-R389 WeakPolarHBondContact O-CB 3.31Å; N385-R389 PolarHBondContact O-N 2.91Å
386I87.7Confident85.6Confident0 Ų059 Ų590%028%0.28CS..Hα-helixtrans-60.6-47.8177.7-66.3-58.7000110.9L300 I344 F382 A383 H388 R389 F390 K391 W392 M394L300-I386 HydrophobicContact CD1-CD1 3.62Å; I344-I386 HydrophobicContact CD1-CD1 4.32Å; F382-I386 HydrophobicContact CD1-CG1 4.33Å; F382-I386 HydrophobicContact CD2-CD1 4.5Å; F382-I386 HydrophobicContact CD2-CG1 4.2Å; F382-I386 HydrophobicContact CE1-CD1 4.45Å; F382-I386 HydrophobicContact CE1-CG1 3.95Å; F382-I386 HydrophobicContact CE2-CD1 3.73Å; F382-I386 HydrophobicContact CE2-CG1 3.81Å; F382-I386 HydrophobicContact CG-CG1 4.44Å; F382-I386 HydrophobicContact CZ-CD1 3.7Å; F382-I386 HydrophobicContact CZ-CG1 3.67Å; F382-I386 WeakPolarHBondContact O-CG1 3.28Å; F382-I386 PolarHBondContact O-N 2.96Å; A383-I386 PolarHBondContact O-N 3.26Å; I386-H388 VanDerWaalsContact C-N 3.35Å; I386-H388 PolarHBondContact O-N 3.35Å; I386-R389 PolarHBondContact O-N 3.22Å; I386-F390 HydrophobicContact CD1-CD2 3.69Å; I386-F390 HydrophobicContact CD1-CE2 3.73Å; I386-F390 HydrophobicContact CG2-CD2 4.35Å; I386-F390 PolarHBondContact O-N 2.91Å; I386-K391 PolarHBondContact O-N 3.21Å; I386-W392 HydrophobicContact CG2-CB 3.92Å; I386-W392 HydrophobicContact CG2-CD2 4.47Å; I386-W392 HydrophobicContact CG2-CE3 3.79Å; I386-M394 HydrophobicContact CG2-CG 4.47Å
387K86.5Confident83.6Confident79 Ų7958.9 Ų58.934%0.34329%0.286SS..Hα-helixtrans-59.3-43.9176.1-177.4173.5-173.3155.10112.4A383 K391 W392 D393A383-K387 WeakPolarHBondContact O-CB 3.26Å; A383-K387 PolarHBondContact O-N 2.9Å; K387-K391 WeakPolarHBondContact O-CA 3.35Å; K387-K391 PolarHBondContact O-N 3.49Å; K387-W392 VanDerWaalsContact CA-O 3.31Å; K387-W392 WeakPolarHBondContact CA-O 3.39Å; K387-D393 WeakPolarHBondContact CD-OD1 3.4Å; K387-D393 WeakPolarHBondContact CE-OD1 3.43Å; K387-D393 IonicContact NZ-OD1 2.84Å; K387-D393 PolarHBondContact NZ-OD1 2.84Å; K387-D393 IonicContact NZ-OD2 3.63Å; K387-D393 PolarHBondContact NZ-OD2 3.07Å
388H83.2Confident81.6Confident146 Ų14653.7 Ų53.768%0.67626%0.263SS*.Hα-helixtrans-67.7-44.4180-178.7-90.5000111.9H384 N385 I386 K391H384-H388 WeakPolarHBondContact O-CB 3.38Å; H384-H388 PolarHBondContact O-N 3.34Å; N385-H388 PolarHBondContact O-N 3.4Å; I386-H388 VanDerWaalsContact C-N 3.35Å; I386-H388 PolarHBondContact O-N 3.35Å; H388-K391 PolarHBondContact O-NZ 2.9Å
389R82.1Confident79.5Confident90 Ų9055 Ų5534%0.3427%0.273SS..Hα-helixtrans-82.8-48.1-170.7-170.5173.1-174.6825113.2N301 N304 N385 I386N301-R389 PolarHBondContact OD1-NE 2.99Å; N304-R389 PolarHBondContact ND2-NE 3.42Å; N304-R389 PolarHBondContact ND2-NH2 3.26Å; N385-R389 WeakPolarHBondContact O-CB 3.31Å; N385-R389 PolarHBondContact O-N 2.91Å; I386-R389 PolarHBondContact O-N 3.22Å
390F82.1Confident77.1Confident32 Ų3259.9 Ų59.914%0.1430%0.299CS..Hα-helixtrans-105.5-4.3-174.4-57.8-72.4000113.5L300 F322 I386 W392L300-F390 HydrophobicContact CB-CE2 4.24Å; L300-F390 HydrophobicContact CB-CZ 4.14Å; L300-F390 HydrophobicContact CD1-CE2 4.34Å; F322-F390 HydrophobicContact CD1-CD1 4.36Å; F322-F390 AromaticContact CD1-CE1 3.96Å; F322-F390 HydrophobicContact CD1-CE1 3.96Å; F322-F390 HydrophobicContact CE1-CD1 4.04Å; F322-F390 AromaticContact CE1-CE1 3.26Å; F322-F390 HydrophobicContact CE1-CE1 3.26Å; F322-F390 AromaticContact CE1-CZ 3.62Å; F322-F390 HydrophobicContact CE1-CZ 3.62Å; F322-F390 AromaticContact CZ-CE1 3.81Å; F322-F390 HydrophobicContact CZ-CE1 3.81Å; F322-F390 HydrophobicContact CZ-CZ 4.02Å; I386-F390 HydrophobicContact CD1-CD2 3.69Å; I386-F390 HydrophobicContact CD1-CE2 3.73Å; I386-F390 HydrophobicContact CG2-CD2 4.35Å; I386-F390 PolarHBondContact O-N 2.91Å; F390-W392 HydrophobicContact CB-CD2 3.66Å; F390-W392 HydrophobicContact CB-CE3 3.94Å; F390-W392 HydrophobicContact CB-CG 3.97Å; F390-W392 HydrophobicContact CB-CZ2 4.31Å; F390-W392 HydrophobicContact CB-CZ3 4.35Å; F390-W392 HydrophobicContact CD2-CZ3 4.45Å; F390-W392 HydrophobicContact CG-CD2 4.49Å; F390-W392 HydrophobicContact CG-CE3 4.35Å; F390-W392 HydrophobicContact CG-CH2 4.46Å; F390-W392 HydrophobicContact CG-CZ3 4.33Å; F390-W392 PolarHBondContact O-N 2.86Å; F390-W392 VanDerWaalsContact O-N 3.16Å
391K81.5Confident74.6Confident156 Ų15660.8 Ų60.868%0.67830%0.303SS*.  trans62.614.5-176.7-50.1-53.5-177-1610114.6I386 K387 H388 D393I386-K391 PolarHBondContact O-N 3.21Å; K387-K391 WeakPolarHBondContact O-CA 3.35Å; K387-K391 PolarHBondContact O-N 3.49Å; H388-K391 PolarHBondContact O-NZ 2.9Å; K391-D393 PolarHBondContact O-N 3.45Å
392W82.4Confident72.2Confident35 Ų3564.6 Ų64.613%0.13331%0.309CS..  trans-80.6111.1173.4-61.3-18.5000110.5F322 L340 P341 I344 I386 K387 F390 M394F322-W392 HydrophobicContact CD1-CH2 4.17Å; L340-W392 HydrophobicContact CB-CH2 3.65Å; L340-W392 HydrophobicContact CB-CZ3 3.81Å; L340-W392 HydrophobicContact CD1-CH2 3.91Å; L340-W392 HydrophobicContact CD1-CZ3 4.31Å; L340-W392 HydrophobicContact CG-CH2 4.46Å; P341-W392 HydrophobicContact CB-CD2 3.9Å; P341-W392 HydrophobicContact CB-CE3 4.1Å; P341-W392 HydrophobicContact CB-CG 4.18Å; P341-W392 HydrophobicContact CG-CD2 4.1Å; P341-W392 HydrophobicContact CG-CE3 4.4Å; P341-W392 HydrophobicContact CG-CH2 4.39Å; P341-W392 HydrophobicContact CG-CZ2 4.04Å; I344-W392 HydrophobicContact CD1-CE3 4.3Å; I344-W392 HydrophobicContact CD1-CZ3 3.94Å; I386-W392 HydrophobicContact CG2-CB 3.92Å; I386-W392 HydrophobicContact CG2-CD2 4.47Å; I386-W392 HydrophobicContact CG2-CE3 3.79Å; K387-W392 VanDerWaalsContact CA-O 3.31Å; K387-W392 WeakPolarHBondContact CA-O 3.39Å; F390-W392 HydrophobicContact CB-CD2 3.66Å; F390-W392 HydrophobicContact CB-CE3 3.94Å; F390-W392 HydrophobicContact CB-CG 3.97Å; F390-W392 HydrophobicContact CB-CZ2 4.31Å; F390-W392 HydrophobicContact CB-CZ3 4.35Å; F390-W392 HydrophobicContact CD2-CZ3 4.45Å; F390-W392 HydrophobicContact CG-CD2 4.49Å; F390-W392 HydrophobicContact CG-CE3 4.35Å; F390-W392 HydrophobicContact CG-CH2 4.46Å; F390-W392 HydrophobicContact CG-CZ3 4.33Å; F390-W392 PolarHBondContact O-N 2.86Å; F390-W392 VanDerWaalsContact O-N 3.16Å; W392-M394 HydrophobicContact CB-CE 3.62Å; W392-M394 HydrophobicContact CG-CE 4.3Å; W392-M394 PolarHBondContact O-N 3.4Å
393D78.7Confident69.4Low59 Ų5974.2 Ų74.232%0.31635%0.346SS..  trans-88.882.7-178-164.83.3000112.5K387 K391 T396K387-D393 WeakPolarHBondContact CD-OD1 3.4Å; K387-D393 WeakPolarHBondContact CE-OD1 3.43Å; K387-D393 IonicContact NZ-OD1 2.84Å; K387-D393 PolarHBondContact NZ-OD1 2.84Å; K387-D393 IonicContact NZ-OD2 3.63Å; K387-D393 PolarHBondContact NZ-OD2 3.07Å; K391-D393 PolarHBondContact O-N 3.45Å; D393-T396 PolarHBondContact OD1-OG1 2.96Å; D393-T396 PolarHBondContact OD2-OG1 2.75Å
394M74.4Confident66.5Low25 Ų2577.6 Ų77.612%0.12337%0.368CS..Hα-helixtrans-79.8-20.6-177.1-61.5-65.4142.100113.8P341 I344 G345 L348 I386 W392P341-M394 HydrophobicContact CB-CE 3.44Å; P341-M394 VanDerWaalsContact CB-CE 3.44Å; P341-M394 WeakPolarHBondContact O-CE 3.43Å; P341-M394 VanDerWaalsContact O-SD 3.39Å; I344-M394 HydrophobicContact CG2-CG 4.12Å; G345-M394 WeakPolarHBondContact CA-SD 3.24Å; L348-M394 HydrophobicContact CD1-CB 3.7Å; L348-M394 HydrophobicContact CD1-CG 4.27Å; I386-M394 HydrophobicContact CG2-CG 4.47Å; W392-M394 HydrophobicContact CB-CE 3.62Å; W392-M394 HydrophobicContact CG-CE 4.3Å; W392-M394 PolarHBondContact O-N 3.4Å
395I65.4Low63.6Low22 Ų2278.2 Ų78.211%0.11338%0.379CS..Hα-helixtrans-78.9-40.5-174.4-58.6173.5000110.6A383 S397 Y398 Q399A383-I395 HydrophobicContact CB-CD1 3.94Å; A383-I395 HydrophobicContact CB-CG1 3.7Å; I395-S397 VanDerWaalsContact C-N 3.28Å; I395-S397 PolarHBondContact O-N 2.8Å; I395-Y398 PolarHBondContact O-N 2.81Å; I395-Q399 PolarHBondContact O-N 3.22Å
396T57.3Low61.3Low51 Ų5182.2 Ų82.231%0.31341%0.407SS..Hα-helixtrans-65.7-34.7-177.1-48.50000111.2D393 Y398 Q399 L400D393-T396 PolarHBondContact OD1-OG1 2.96Å; D393-T396 PolarHBondContact OD2-OG1 2.75Å; T396-Y398 VanDerWaalsContact C-N 3.32Å; T396-Y398 PolarHBondContact O-N 2.87Å; T396-Q399 PolarHBondContact O-N 3.03Å; T396-L400 HydrophobicContact CG2-CD1 4.05Å; T396-L400 HydrophobicContact CG2-CG 4.39Å; T396-L400 WeakPolarHBondContact O-CB 3.14Å; T396-L400 VanDerWaalsContact O-CG 3.29Å; T396-L400 WeakPolarHBondContact O-CG 3.41Å; T396-L400 PolarHBondContact O-N 3.44Å
397S53.5Low58.8Low57 Ų5789.5 Ų89.540%0.39945%0.446SS..Hα-helixtrans-58.9-40.7174.3-52.90000112.3I395 L401I395-S397 VanDerWaalsContact C-N 3.28Å; I395-S397 PolarHBondContact O-N 2.8Å; S397-L401 WeakPolarHBondContact O-CD1 3.2Å; S397-L401 WeakPolarHBondContact O-CG 3.45Å; S397-L401 PolarHBondContact O-N 2.83Å; S397-L401 VanDerWaalsContact O-N 3.14Å
398Y51.9Low56.5Low35 Ų3591.1 Ų91.114%0.13746%0.458CS..Hα-helixtrans-67.8-46.1175.5177.9-105000112.8Y352 T356 I395 T396 L400 L401 Q402Y352-Y398 VanDerWaalsContact CB-CE2 3.48Å; Y352-Y398 VanDerWaalsContact CB-CZ 3.43Å; Y352-Y398 AromaticContact CD2-CD1 3.99Å; Y352-Y398 HydrophobicContact CD2-CD1 3.99Å; Y352-Y398 HydrophobicContact CD2-CD2 4.16Å; Y352-Y398 HydrophobicContact CD2-CE1 4.41Å; Y352-Y398 AromaticContact CD2-CG 3.84Å; Y352-Y398 HydrophobicContact CD2-CG 3.84Å; Y352-Y398 HydrophobicContact CG-CD1 4.39Å; Y352-Y398 HydrophobicContact CG-CE1 4.36Å; Y352-Y398 HydrophobicContact CG-CG 4.47Å; Y352-Y398 PolarHBondContact O-OH 3.39Å; T356-Y398 PolarHBondContact OG1-OH 2.88Å; T356-Y398 VanDerWaalsContact OG1-OH 3.08Å; I395-Y398 PolarHBondContact O-N 2.81Å; T396-Y398 VanDerWaalsContact C-N 3.32Å; T396-Y398 PolarHBondContact O-N 2.87Å; Y398-L400 VanDerWaalsContact C-N 3.28Å; Y398-L400 PolarHBondContact O-N 2.8Å; Y398-L401 PolarHBondContact O-N 2.8Å; Y398-Q402 HydrophobicContact CE1-CG 4.28Å; Y398-Q402 VanDerWaalsContact CZ-NE2 3.27Å; Y398-Q402 PolarHBondContact O-N 3.28Å; Y398-Q402 VanDerWaalsContact O-N 3.13Å; Y398-Q402 PolarHBondContact OH-NE2 3.41Å
399Q52.3Low54.6Low119 Ų11991.2 Ų91.256%0.55647%0.469SS*.Hα-helixtrans-64.4-33179.6-69.1-176.1-7.200112.6I395 T396I395-Q399 PolarHBondContact O-N 3.22Å; T396-Q399 PolarHBondContact O-N 3.03Å
400L43.8Very low52.6Low103 Ų10394.5 Ų94.554%0.53949%0.488SS..Hα-helixtrans-68.7-41.8173.9-73.8166.7000111.5T396 Y398 Q402 R403 C404T396-L400 HydrophobicContact CG2-CD1 4.05Å; T396-L400 HydrophobicContact CG2-CG 4.39Å; T396-L400 WeakPolarHBondContact O-CB 3.14Å; T396-L400 VanDerWaalsContact O-CG 3.29Å; T396-L400 WeakPolarHBondContact O-CG 3.41Å; T396-L400 PolarHBondContact O-N 3.44Å; Y398-L400 VanDerWaalsContact C-N 3.28Å; Y398-L400 PolarHBondContact O-N 2.8Å; L400-Q402 PolarHBondContact O-N 2.96Å; L400-R403 WeakPolarHBondContact O-CB 3.32Å; L400-R403 PolarHBondContact O-N 3.38Å; L400-C404 PolarHBondContact O-N 3.19Å
401L40.9Very low50.7Low75 Ų7598.2 Ų98.239%0.39351%0.508SS..Hα-helixtrans-65-36178.5-78.1161.6000113.2K349 S397 Y398 R403 C404K349-L401 HydrophobicContact CD-CD1 4.14Å; S397-L401 WeakPolarHBondContact O-CD1 3.2Å; S397-L401 WeakPolarHBondContact O-CG 3.45Å; S397-L401 PolarHBondContact O-N 2.83Å; S397-L401 VanDerWaalsContact O-N 3.14Å; Y398-L401 PolarHBondContact O-N 2.8Å; L401-R403 PolarHBondContact O-N 2.89Å; L401-C404 WeakPolarHBondContact O-CB 3.48Å; L401-C404 PolarHBondContact O-N 3.31Å; L401-C404 VanDerWaalsContact O-N 3.07Å
402Q44Very low49.1Very low124 Ų12493.6 Ų93.658%0.57949%0.494SS*.THydrogen-bonded Turntrans-61.3-23.9171.9-75.1-168.3-14.400113.2Y398 L400Y398-Q402 HydrophobicContact CE1-CG 4.28Å; Y398-Q402 VanDerWaalsContact CZ-NE2 3.27Å; Y398-Q402 PolarHBondContact O-N 3.28Å; Y398-Q402 VanDerWaalsContact O-N 3.13Å; Y398-Q402 PolarHBondContact OH-NE2 3.41Å; L400-Q402 PolarHBondContact O-N 2.96Å
403R36.7Very low47.4Very low209 Ų20996.9 Ų96.979%0.78951%0.513SS*.THydrogen-bonded Turntrans-87.4-15.3176.3-69.3-176.9177.3-177.21113.3L400 L401 T405L400-R403 WeakPolarHBondContact O-CB 3.32Å; L400-R403 PolarHBondContact O-N 3.38Å; L401-R403 PolarHBondContact O-N 2.89Å; R403-T405 VanDerWaalsContact C-N 3.34Å; R403-T405 PolarHBondContact O-N 3.26Å
404C30.7Very low45.9Very low70 Ų7099.9 Ų99.947%0.47353%0.525SS..  trans-74.289.5175.5-700000109.4L400 L401 I408L400-C404 PolarHBondContact O-N 3.19Å; L401-C404 WeakPolarHBondContact O-CB 3.48Å; L401-C404 PolarHBondContact O-N 3.31Å; L401-C404 VanDerWaalsContact O-N 3.07Å; C404-I408 HydrophobicContact CB-CD1 4.5Å
405T30.6Very low44.7Very low112 Ų112103.3 Ų103.369%0.68754%0.541SS*.  trans-54.4154163.733.90000111.1R403 N407R403-T405 VanDerWaalsContact C-N 3.34Å; R403-T405 PolarHBondContact O-N 3.26Å; T405-N407 PolarHBondContact O-N 2.76Å
406P41.2Very low43.9Very low127 Ų127107.2 Ų107.283%0.82556%0.557SS**SBendtrans-74.827.6-157.130.3-36.3000116.3
407N35.7Very low43.7Very low154 Ų154108.3 Ų108.382%0.82456%0.561SS**  trans-105.924.9-177.9-83.6-4.4000114.5T405T405-N407 PolarHBondContact O-N 2.76Å
408I39.2Very low43.8Very low113 Ų113109.6 Ų109.658%0.57956%0.557SS**  trans-107.8108.6171.6-57.6176.9000108.2C404 E410C404-I408 HydrophobicContact CB-CD1 4.5Å; I408-E410 HydrophobicContact CG2-CB 4.05Å; I408-E410 PolarHBondContact O-N 3.46Å
409T42.5Very low43.8Very low148 Ų148113.6 Ų113.691%0.90858%0.581SS**  trans-84.213.9175.541.70000113.3
410E40.2Very low43.4Very low159 Ų159109.3 Ų109.374%0.74357%0.569SS**  trans-107.2123.3-179.4-69.9-180178.800109.9I408I408-E410 HydrophobicContact CG2-CB 4.05Å; I408-E410 PolarHBondContact O-N 3.46Å
411I42.4Very low43.8Very low110 Ų110113 Ų11356%0.56459%0.589SS**  trans-69125172.1-61.3170000106.9I413 E415 F416I411-I413 PolarHBondContact O-N 3.19Å; I411-E415 HydrophobicContact CG2-CB 3.94Å; I411-F416 HydrophobicContact CG2-CE2 4.49Å
412P47.1Very low44Very low59 Ų59116.6 Ų116.638%0.38360%0.604SS.*  trans-58.1134.5175.7-21.232.2000110.4E414 E415P412-E414 PolarHBondContact O-N 3.43Å; P412-E415 PolarHBondContact O-N 3.21Å
413I47.9Very low44.1Very low104 Ų104112.1 Ų112.153%0.53359%0.588SS.*G310 helixtrans-49.4-29.7178.2-71.1168.2000112.2I411 E415 F416 W418I411-I413 PolarHBondContact O-N 3.19Å; I413-E415 PolarHBondContact O-N 3.37Å; I413-F416 PolarHBondContact O-N 3.09Å; I413-W418 HydrophobicContact CG2-CZ2 3.86Å; I413-W418 PolarHBondContact O-NE1 2.9Å
414E47Very low44.1Very low121 Ų121105 Ų10557%0.56557%0.569SS**G310 helixtrans-65.4-15.6177.9-58.5174.5-172.300114.7P412P412-E414 PolarHBondContact O-N 3.43Å
415E49.3Very low44.6Very low98 Ų98107.7 Ų107.746%0.45858%0.583SS.*G310 helixtrans-86.3-10.5178.3-69.5-171.2172.900113.5K349 I411 P412 I413K349-E415 IonicContact NZ-OE1 3.41Å; I411-E415 HydrophobicContact CG2-CB 3.94Å; P412-E415 PolarHBondContact O-N 3.21Å; I413-E415 PolarHBondContact O-N 3.37Å
416F48.3Very low45.2Very low103 Ų103109 Ų10945%0.45258%0.584SS.*SBendtrans-82.1134.9176.1-92.3-91.6000111.8I411 I413 W418 P424I411-F416 HydrophobicContact CG2-CE2 4.49Å; I413-F416 PolarHBondContact O-N 3.09Å; F416-W418 HydrophobicContact CB-CD2 4.33Å; F416-W418 HydrophobicContact CB-CZ2 3.91Å; F416-W418 HydrophobicContact CG-CZ2 4.46Å; F416-W418 PolarHBondContact O-N 2.91Å; F416-W418 VanDerWaalsContact O-N 3.09Å; F416-P424 HydrophobicContact CD1-CG 4.2Å; F416-P424 HydrophobicContact CE1-CG 4.21Å
417D52.6Low44.8Very low75 Ų75108.4 Ų108.440%0.40158%0.578SS.*  trans-79.684.2172.3-169.816.6000109.3Q273 D419 G420Q273-D417 PolarHBondContact NE2-OD1 3.42Å; Q273-D417 VanDerWaalsContact NE2-OD1 3.14Å; Q273-D417 PolarHBondContact NE2-OD2 3.1Å; D417-D419 PolarHBondContact O-N 3.41Å; D417-G420 PolarHBondContact O-N 3.37Å
418W55.8Low44.8Very low83 Ų83109.4 Ų109.431%0.31458%0.578SS.*THydrogen-bonded Turntrans-68.9-16.5-176.7-64.698.5000113.7I413 F416 G420 A423 P424I413-W418 HydrophobicContact CG2-CZ2 3.86Å; I413-W418 PolarHBondContact O-NE1 2.9Å; F416-W418 HydrophobicContact CB-CD2 4.33Å; F416-W418 HydrophobicContact CB-CZ2 3.91Å; F416-W418 HydrophobicContact CG-CZ2 4.46Å; F416-W418 PolarHBondContact O-N 2.91Å; F416-W418 VanDerWaalsContact O-N 3.09Å; W418-G420 VanDerWaalsContact C-N 3.28Å; W418-A423 HydrophobicContact CE3-CB 3.91Å; W418-A423 HydrophobicContact CZ3-CB 4.47Å; W418-P424 HydrophobicContact CH2-CG 3.75Å; W418-P424 HydrophobicContact CZ3-CG 3.87Å
419D51.3Low44.5Very low120 Ų120115.6 Ų115.664%0.64261%0.611SS**THydrogen-bonded Turntrans-82.9-5.4176.5-71-19.3000112.2R269 D417R269-D419 IonicContact NH1-OD2 3.8Å; R269-D419 PolarHBondContact NH1-OD2 3.44Å; D417-D419 PolarHBondContact O-N 3.41Å
420G45.1Very low44.6Very low28 Ų28114 Ų11429%0.28960%0.596SS.*SBendtrans-89.3147.6176.100000113.2D417 W418 E422 A423D417-G420 PolarHBondContact O-N 3.37Å; W418-G420 VanDerWaalsContact C-N 3.28Å; G420-E422 PolarHBondContact O-N 3.01Å; G420-A423 PolarHBondContact O-N 2.96Å
421D52Low44.9Very low180 Ų180111.6 Ų111.696%0.96359%0.588SS**THydrogen-bonded Turntrans-55.2-10.7177.5-67.8-33.8000115
422E44.4Very low45Very low152 Ų152111.7 Ų111.771%0.7159%0.589SS**THydrogen-bonded Turntrans-101.611.6178.7-65.2-177.7-150.400113.5K193 G420K193-E422 IonicContact NZ-OE1 2.83Å; K193-E422 PolarHBondContact NZ-OE1 2.99Å; G420-E422 PolarHBondContact O-N 3.01Å
423A46.4Very low44.9Very low29 Ų29114.8 Ų114.824%0.2460%0.601CS.*  trans-53.4124.6172.900000110.3W418 G420 V425W418-A423 HydrophobicContact CE3-CB 3.91Å; W418-A423 HydrophobicContact CZ3-CB 4.47Å; G420-A423 PolarHBondContact O-N 2.96Å; A423-V425 PolarHBondContact O-N 3.43Å
424P36.9Very low44.7Very low61 Ų61115.4 Ų115.440%0.39661%0.606SS.*  trans-63.9112.8-176.621.9-29.6000110F416 W418 I426F416-P424 HydrophobicContact CD1-CG 4.2Å; F416-P424 HydrophobicContact CE1-CG 4.21Å; W418-P424 HydrophobicContact CH2-CG 3.75Å; W418-P424 HydrophobicContact CZ3-CG 3.87Å; P424-I426 PolarHBondContact O-N 3.01Å; P424-I426 VanDerWaalsContact O-N 3.1Å
425V41.8Very low44.6Very low126 Ų126115.1 Ų115.176%0.76461%0.608SS**  trans-63.4112.8173-179.20000107.6A423 V427A423-V425 PolarHBondContact O-N 3.43Å; V425-V427 VanDerWaalsContact C-N 3.32Å; V425-V427 PolarHBondContact O-N 3.26Å
426I41.9Very low44.2Very low138 Ų138116.3 Ų116.371%0.70862%0.619SS**  trans-67.195.8173.4-57.2176000107.4P424 Q428P424-I426 PolarHBondContact O-N 3.01Å; P424-I426 VanDerWaalsContact O-N 3.1Å; I426-Q428 PolarHBondContact O-N 3.38Å; I426-Q428 VanDerWaalsContact O-N 3.15Å
427V33.7Very low43.9Very low116 Ų116117.3 Ų117.370%0.70363%0.632SS**  trans-74.3103.6172-169.90000106.9V425 L429V425-V427 VanDerWaalsContact C-N 3.32Å; V425-V427 PolarHBondContact O-N 3.26Å; V427-L429 PolarHBondContact O-N 3Å
428Q35.2Very low43.2Very low174 Ų174120.8 Ų120.881%0.81365%0.651SS**  trans-63.3117.8165.4-83-174.3-27.100108.3I426I426-Q428 PolarHBondContact O-N 3.38Å; I426-Q428 VanDerWaalsContact O-N 3.15Å
429L33.8Very low42Very low243 Ų243124.3 Ų124.3100%1.27268%0.682SS**  trans-68.40171-79.1167.6000112V427V427-L429 PolarHBondContact O-N 3Å

Retrieved 429 of 429 residues in 105.7 ms (Link to these results)

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