A0A077YYF6_TRITR Loading...

Vesicle-trafficking protein SEC22b

SNARE involved in targeting and fusion of ER-derived transport vesicles with the Golgi complex as well as Golgi-derived retrograde transport vesicles with the ER.

AlphaFold DB , UniProt , Accession A0A077YYF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M85.8Confident93.3Very high81 Ų8121.9 Ų21.940%0.39912%0.124SC..  0170.5060.1-175.5120.700110.5Y3 C75 D76M1-Y3 HydrophobicContact CE-CE1 3.56Å; M1-Y3 VanDerWaalsContact CE-OH 3.31Å; M1-Y3 WeakPolarHBondContact CE-OH 3.4Å; M1-Y3 HydrophobicContact CG-CD1 3.84Å; M1-Y3 HydrophobicContact CG-CD2 4.45Å; M1-Y3 HydrophobicContact CG-CE1 3.26Å; M1-Y3 HydrophobicContact CG-CE2 3.92Å; M1-Y3 HydrophobicContact CG-CG 4.42Å; M1-Y3 HydrophobicContact SD-CD1 3.89Å; M1-Y3 HydrophobicContact SD-CE1 3.21Å; M1-Y3 WeakPolarHBondContact SD-CE1 3.19Å; M1-C75 WeakPolarHBondContact O-CA 3.42Å; M1-C75 WeakPolarHBondContact O-CB 3.43Å; M1-D76 WeakPolarHBondContact CG-OD2 3.08Å; M1-D76 PolarHBondContact N-OD2 2.94Å; M1-D76 PolarHBondContact O-N 2.91Å; M1-D76 VanDerWaalsContact O-N 3.16Å
2I90Very high93.2Very high2 Ų227 Ų271%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-106.8114.6173.4-63.4172.7000108.4C73 L74 C75 L79 F87 K123 I127I2-C73 HydrophobicContact CG2-CB 3.93Å; I2-L74 CarbonylContact C-O 3.39Å; I2-C75 HydrophobicContact CG1-CB 4.09Å; I2-L79 HydrophobicContact CD1-CD2 4.19Å; I2-L79 HydrophobicContact CG1-CD2 3.65Å; I2-F87 HydrophobicContact CD1-CB 4.3Å; I2-F87 HydrophobicContact CD1-CD1 3.68Å; I2-F87 HydrophobicContact CD1-CD2 4.35Å; I2-F87 HydrophobicContact CD1-CE1 4.08Å; I2-F87 HydrophobicContact CD1-CG 3.84Å; I2-K123 HydrophobicContact CB-CD 4.22Å; I2-K123 HydrophobicContact CB-CG 4.29Å; I2-K123 HydrophobicContact CD1-CG 4.41Å; I2-K123 PolarHBondContact O-NZ 3.43Å; I2-I127 HydrophobicContact CD1-CD1 3.92Å; I2-I127 HydrophobicContact CD1-CG1 4.21Å; I2-I127 HydrophobicContact CG1-CD1 4.02Å; I2-I127 HydrophobicContact CG1-CG1 4.42Å
3Y90.6Very high93.1Very high15 Ų1525.8 Ų25.86%0.05915%0.149CC..EExtended strand (participates in β ladder)trans-86.6-43.9-172.3-61-71.3000113.3M1 E21 I28 H59 L74 D76M1-Y3 HydrophobicContact CE-CE1 3.56Å; M1-Y3 VanDerWaalsContact CE-OH 3.31Å; M1-Y3 WeakPolarHBondContact CE-OH 3.4Å; M1-Y3 HydrophobicContact CG-CD1 3.84Å; M1-Y3 HydrophobicContact CG-CD2 4.45Å; M1-Y3 HydrophobicContact CG-CE1 3.26Å; M1-Y3 HydrophobicContact CG-CE2 3.92Å; M1-Y3 HydrophobicContact CG-CG 4.42Å; M1-Y3 HydrophobicContact SD-CD1 3.89Å; M1-Y3 HydrophobicContact SD-CE1 3.21Å; M1-Y3 WeakPolarHBondContact SD-CE1 3.19Å; Y3-E21 PolarHBondContact O-N 2.97Å; Y3-I28 HydrophobicContact CD1-CD1 3.14Å; Y3-I28 HydrophobicContact CD2-CD1 4.39Å; Y3-I28 HydrophobicContact CE1-CD1 3.06Å; Y3-I28 HydrophobicContact CE1-CG1 4.44Å; Y3-I28 HydrophobicContact CE2-CD1 4.37Å; Y3-I28 HydrophobicContact CG-CD1 3.81Å; Y3-H59 AromaticContact CD2-CD2 3.6Å; Y3-H59 AromaticContact CD2-NE2 3.98Å; Y3-H59 AromaticContact CE2-CD2 3.3Å; Y3-H59 WeakPolarHBondContact CE2-CD2 3.38Å; Y3-H59 AromaticContact CE2-NE2 3.47Å; Y3-H59 WeakPolarHBondContact CE2-NE2 3.19Å; Y3-H59 AromaticContact CZ-NE2 3.86Å; Y3-L74 PolarHBondContact N-O 2.95Å; Y3-D76 WeakPolarHBondContact CE2-OD1 3.49Å; Y3-D76 PolarHBondContact OH-OD1 3.27Å; Y3-D76 PolarHBondContact OH-OD2 3.4Å
4V91.2Very high93.1Very high5 Ų525.3 Ų25.33%0.0315%0.145CC..EExtended strand (participates in β ladder)trans-137.3139-174.6179.70000108.9L6 S19 V20 I30 C73 L74V4-L6 HydrophobicContact CG1-CD1 3.97Å; V4-L6 HydrophobicContact CG1-CG 3.94Å; V4-S19 WeakPolarHBondContact CA-O 3.4Å; V4-V20 HydrophobicContact CG1-CG2 4.29Å; V4-V20 HydrophobicContact CG2-CG1 4.4Å; V4-I30 HydrophobicContact CG2-CG2 4.23Å; V4-C73 CarbonylContact O-C 3.54Å; V4-C73 VanDerWaalsContact O-CA 3.26Å; V4-C73 WeakPolarHBondContact O-CA 3.29Å; V4-L74 HydrophobicContact CB-CB 4.09Å; V4-L74 HydrophobicContact CG2-CD2 4.33Å; V4-L74 PolarHBondContact O-N 3.33Å
5T94.7Very high93.1Very high0 Ų025.1 Ų25.10%015%0.145CC..EExtended strand (participates in β ladder)trans-126129.6169.4-54.90000108.7T18 S19 L72 F87 L91 I119T5-T18 CarbonylContact O-C 3.52Å; T5-T18 VanDerWaalsContact O-CA 3.28Å; T5-T18 WeakPolarHBondContact O-CA 3.46Å; T5-T18 PolarHBondContact O-OG1 2.67Å; T5-S19 PolarHBondContact N-O 3.13Å; T5-S19 PolarHBondContact O-N 3.43Å; T5-L72 CarbonylContact C-O 3.47Å; T5-L72 VanDerWaalsContact CA-O 3.31Å; T5-L72 WeakPolarHBondContact CA-O 3.26Å; T5-F87 HydrophobicContact CG2-CE1 4.06Å; T5-F87 HydrophobicContact CG2-CZ 4Å; T5-L91 HydrophobicContact CG2-CD2 3.61Å; T5-I119 HydrophobicContact CG2-CG2 3.76Å
6L95.1Very high93.2Very high9 Ų923.5 Ų23.55%0.04714%0.136CC..EExtended strand (participates in β ladder)trans-128.2136.5-179.7-73.6157.8000108.7V4 T18 A37 F41 L72V4-L6 HydrophobicContact CG1-CD1 3.97Å; V4-L6 HydrophobicContact CG1-CG 3.94Å; L6-T18 WeakPolarHBondContact CD2-OG1 3.43Å; L6-A37 HydrophobicContact CD1-CB 3.49Å; L6-A37 VanDerWaalsContact CD1-CB 3.49Å; L6-F41 HydrophobicContact CB-CE2 3.98Å; L6-F41 HydrophobicContact CB-CZ 3.81Å; L6-F41 HydrophobicContact CD1-CE2 4.45Å; L6-L72 HydrophobicContact CB-CB 4.39Å; L6-L72 HydrophobicContact CB-CD2 4.41Å; L6-L72 HydrophobicContact CD1-CD2 4.26Å; L6-L72 PolarHBondContact N-O 2.91Å; L6-L72 PolarHBondContact O-N 3.21Å
7I96.8Very high93.2Very high1 Ų122.1 Ų22.11%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-118.9126.8174.1-52.1-175.4000106.6L16 A17 V69 C70 Y71 L91 F95 F115 I119I7-L16 HydrophobicContact CB-CB 4.4Å; I7-L16 HydrophobicContact CG2-CB 4.16Å; I7-L16 HydrophobicContact CG2-CD1 4.29Å; I7-L16 WeakPolarHBondContact O-CB 3.26Å; I7-L16 PolarHBondContact O-N 3.05Å; I7-A17 HydrophobicContact CB-CB 4.27Å; I7-A17 HydrophobicContact CD1-CB 4.19Å; I7-A17 HydrophobicContact CG1-CB 4.4Å; I7-A17 PolarHBondContact N-O 3.47Å; I7-A17 PolarHBondContact O-N 2.88Å; I7-V69 HydrophobicContact CG2-CG1 3.36Å; I7-C70 WeakPolarHBondContact CA-O 3.28Å; I7-Y71 HydrophobicContact CD1-CD1 4.04Å; I7-Y71 HydrophobicContact CD1-CE1 4.22Å; I7-Y71 HydrophobicContact CG1-CD1 4.09Å; I7-Y71 HydrophobicContact CG2-CD1 3.96Å; I7-Y71 HydrophobicContact CG2-CE1 3.9Å; I7-L91 HydrophobicContact CD1-CD1 4.3Å; I7-L91 HydrophobicContact CD1-CD2 4.21Å; I7-L91 HydrophobicContact CD1-CG 4.26Å; I7-L91 HydrophobicContact CG1-CD2 4.42Å; I7-F95 HydrophobicContact CD1-CD2 3.79Å; I7-F95 HydrophobicContact CD1-CE2 4.21Å; I7-F95 HydrophobicContact CD1-CG 4.28Å; I7-F95 HydrophobicContact CG2-CD2 4.46Å; I7-F95 HydrophobicContact CG2-CE1 4.27Å; I7-F95 HydrophobicContact CG2-CE2 4.23Å; I7-F95 HydrophobicContact CG2-CZ 4.13Å; I7-F115 HydrophobicContact CD1-CD1 3.95Å; I7-F115 HydrophobicContact CD1-CE1 3.97Å; I7-I119 HydrophobicContact CD1-CD1 4.11Å
8A96.4Very high93.2Very high0 Ų021.8 Ų21.80%013%0.126CC..EExtended strand (participates in β ladder)trans-140.3151.1-179.200000111.8L14 F41 C70A8-L14 VanDerWaalsContact CA-O 3.26Å; A8-L14 WeakPolarHBondContact CA-O 3.47Å; A8-F41 HydrophobicContact CB-CD1 3.81Å; A8-F41 HydrophobicContact CB-CD2 3.6Å; A8-F41 HydrophobicContact CB-CE1 3.79Å; A8-F41 HydrophobicContact CB-CE2 3.58Å; A8-F41 HydrophobicContact CB-CG 3.73Å; A8-F41 HydrophobicContact CB-CZ 3.67Å; A8-C70 PolarHBondContact N-O 3.41Å; A8-C70 PolarHBondContact O-N 2.97Å
9R96.3Very high93Very high20 Ų2020.6 Ų20.68%0.07512%0.12CC..EExtended strand (participates in β ladder)trans-77.8134.8173.1-175.3169.658.2-169.15.7109.9S11 D12 G13 L14 L16 V103 D104 V106R9-S11 WeakPolarHBondContact CD-OG 3.13Å; R9-S11 WeakPolarHBondContact CG-OG 3.35Å; R9-S11 PolarHBondContact NE-OG 3.18Å; R9-D12 IonicContact CZ-OD1 2.69Å; R9-D12 IonicContact CZ-OD2 3.41Å; R9-D12 IonicContact NE-OD1 2.7Å; R9-D12 PolarHBondContact NE-OD1 3.37Å; R9-D12 IonicContact NE-OD2 3.66Å; R9-D12 PolarHBondContact NE-OD2 2.85Å; R9-D12 IonicContact NH2-OD1 3.29Å; R9-D12 IonicContact NH2-OD2 3.82Å; R9-D12 PolarHBondContact NH2-OD2 2.96Å; R9-G13 WeakPolarHBondContact O-CA 3.44Å; R9-G13 PolarHBondContact O-N 3.11Å; R9-L14 HydrophobicContact CB-CB 4.43Å; R9-L14 PolarHBondContact N-O 3.22Å; R9-L16 HydrophobicContact CB-CD1 4.26Å; R9-L16 HydrophobicContact CB-CD2 4.48Å; R9-L16 HydrophobicContact CB-CG 4.44Å; R9-V103 HydrophobicContact CG-CG1 4.22Å; R9-V103 PolarHBondContact NH1-O 2.76Å; R9-D104 PolarHBondContact NH1-O 3.17Å; R9-V106 PolarHBondContact NH1-O 3.14Å; R9-V106 PolarHBondContact NH2-O 2.81Å
10V96.2Very high92.6Very high14 Ų1420.5 Ų20.59%0.08512%0.119CC..THydrogen-bonded Turntrans-71.4-33.6-174.4174.10000112.4D12 L44 I65 K68 C70V10-D12 VanDerWaalsContact C-N 3.27Å; V10-D12 PolarHBondContact O-N 3.03Å; V10-L44 HydrophobicContact CG1-CB 4.49Å; V10-I65 HydrophobicContact CG2-CD1 4.43Å; V10-I65 HydrophobicContact CG2-CG1 4.31Å; V10-I65 HydrophobicContact CG2-CG2 3.86Å; V10-K68 WeakPolarHBondContact CB-O 3.18Å; V10-K68 WeakPolarHBondContact CG2-O 3.47Å; V10-K68 PolarHBondContact N-O 3.38Å; V10-C70 HydrophobicContact CG2-CB 3.95Å
11S93.2Very high91.6Very high94 Ų9422.3 Ų22.366%0.65713%0.126SC*.THydrogen-bonded Turntrans-63.2-30-17457.20000114.4R9R9-S11 WeakPolarHBondContact CD-OG 3.13Å; R9-S11 WeakPolarHBondContact CG-OG 3.35Å; R9-S11 PolarHBondContact NE-OG 3.18Å
12D91.8Very high90.4Very high83 Ų8320.4 Ų20.444%0.44413%0.127SC..THydrogen-bonded Turntrans-141.5-0.5-173.161.6-11.1000114.1R9 V10 L14R9-D12 IonicContact CZ-OD1 2.69Å; R9-D12 IonicContact CZ-OD2 3.41Å; R9-D12 IonicContact NE-OD1 2.7Å; R9-D12 PolarHBondContact NE-OD1 3.37Å; R9-D12 IonicContact NE-OD2 3.66Å; R9-D12 PolarHBondContact NE-OD2 2.85Å; R9-D12 IonicContact NH2-OD1 3.29Å; R9-D12 IonicContact NH2-OD2 3.82Å; R9-D12 PolarHBondContact NH2-OD2 2.96Å; V10-D12 VanDerWaalsContact C-N 3.27Å; V10-D12 PolarHBondContact O-N 3.03Å; D12-L14 PolarHBondContact O-N 2.67Å; D12-L14 VanDerWaalsContact OD1-CB 3.29Å; D12-L14 WeakPolarHBondContact OD1-CB 3.3Å; D12-L14 PolarHBondContact OD1-N 2.77Å; D12-L14 VanDerWaalsContact OD1-N 3.16Å
13G92Very high88.7Confident12 Ų1227.1 Ų27.112%0.12416%0.163CC..  trans6817.3-176.100000113.9R9 P15R9-G13 WeakPolarHBondContact O-CA 3.44Å; R9-G13 PolarHBondContact O-N 3.11Å; G13-P15 VanDerWaalsContact O-CD 3.25Å; G13-P15 WeakPolarHBondContact O-CD 3.47Å
14L92.7Very high86.8Confident18 Ų1831.8 Ų31.89%0.09419%0.186CC..  trans-61.9120-179.2-179.268000110.2A8 R9 D12 L16 V106 P109A8-L14 VanDerWaalsContact CA-O 3.26Å; A8-L14 WeakPolarHBondContact CA-O 3.47Å; R9-L14 HydrophobicContact CB-CB 4.43Å; R9-L14 PolarHBondContact N-O 3.22Å; D12-L14 PolarHBondContact O-N 2.67Å; D12-L14 VanDerWaalsContact OD1-CB 3.29Å; D12-L14 WeakPolarHBondContact OD1-CB 3.3Å; D12-L14 PolarHBondContact OD1-N 2.77Å; D12-L14 VanDerWaalsContact OD1-N 3.16Å; L14-L16 HydrophobicContact CD2-CD2 4.38Å; L14-L16 PolarHBondContact O-N 2.91Å; L14-V106 HydrophobicContact CD2-CG2 4.27Å; L14-V106 WeakPolarHBondContact CD2-O 3.22Å; L14-P109 HydrophobicContact CD1-CB 4.37Å; L14-P109 HydrophobicContact CD1-CG 3.97Å
15P93.7Very high85Confident22 Ų2231.9 Ų31.914%0.14319%0.186CC..EExtended strand (participates in β ladder)trans-64.7128.1174.7-20.933.8000110.3G13 P109 Y110G13-P15 VanDerWaalsContact O-CD 3.25Å; G13-P15 WeakPolarHBondContact O-CD 3.47Å; P15-P109 CarbonylContact O-C 3.54Å; P15-P109 WeakPolarHBondContact O-CA 3.11Å; P15-Y110 HydrophobicContact CB-CD1 4.06Å; P15-Y110 HydrophobicContact CB-CD2 4.24Å; P15-Y110 HydrophobicContact CB-CE1 3.65Å; P15-Y110 HydrophobicContact CB-CE2 3.86Å; P15-Y110 HydrophobicContact CB-CG 4.36Å; P15-Y110 HydrophobicContact CG-CE2 4.23Å; P15-Y110 PolarHBondContact O-N 3.46Å
16L94.9Very high83.2Confident0 Ų040 Ų400%022%0.224CC..EExtended strand (participates in β ladder)trans-102.3-47.1-176.3-67.3-174.9000111.7I7 R9 L14 V69 F95 V103 V106 Y110 H111 F112I7-L16 HydrophobicContact CB-CB 4.4Å; I7-L16 HydrophobicContact CG2-CB 4.16Å; I7-L16 HydrophobicContact CG2-CD1 4.29Å; I7-L16 WeakPolarHBondContact O-CB 3.26Å; I7-L16 PolarHBondContact O-N 3.05Å; R9-L16 HydrophobicContact CB-CD1 4.26Å; R9-L16 HydrophobicContact CB-CD2 4.48Å; R9-L16 HydrophobicContact CB-CG 4.44Å; L14-L16 HydrophobicContact CD2-CD2 4.38Å; L14-L16 PolarHBondContact O-N 2.91Å; L16-V69 HydrophobicContact CD1-CG1 4.16Å; L16-V69 HydrophobicContact CD1-CG2 4.13Å; L16-F95 HydrophobicContact CB-CZ 4.2Å; L16-F95 HydrophobicContact CD1-CE1 4.17Å; L16-F95 HydrophobicContact CD1-CZ 3.96Å; L16-V103 HydrophobicContact CD1-CG1 4.01Å; L16-V103 HydrophobicContact CD1-CG2 4.35Å; L16-V106 HydrophobicContact CD2-CG2 3.79Å; L16-Y110 CarbonylContact O-C 3.47Å; L16-Y110 WeakPolarHBondContact O-CA 3.37Å; L16-H111 PolarHBondContact O-N 3.36Å; L16-F112 HydrophobicContact CB-CD2 4.01Å; L16-F112 HydrophobicContact CD2-CD2 4.24Å; L16-F112 HydrophobicContact CD2-CE2 4.02Å; L16-F112 WeakPolarHBondContact O-CA 3.5Å; L16-F112 PolarHBondContact O-N 3.05Å
17A93.8Very high81.6Confident0 Ų043.3 Ų43.30%026%0.261CS..EExtended strand (participates in β ladder)trans-152.5162.1177.400000110.3I7 F112 F115I7-A17 HydrophobicContact CB-CB 4.27Å; I7-A17 HydrophobicContact CD1-CB 4.19Å; I7-A17 HydrophobicContact CG1-CB 4.4Å; I7-A17 PolarHBondContact N-O 3.47Å; I7-A17 PolarHBondContact O-N 2.88Å; A17-F112 HydrophobicContact CB-CB 4.38Å; A17-F112 WeakPolarHBondContact CB-O 3.5Å; A17-F115 HydrophobicContact CB-CB 4.43Å
18T92.3Very high80.1Confident16 Ų1645 Ų4510%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-151152.6177-173.20000110.8T5 L6 Y110 V175T5-T18 CarbonylContact O-C 3.52Å; T5-T18 VanDerWaalsContact O-CA 3.28Å; T5-T18 WeakPolarHBondContact O-CA 3.46Å; T5-T18 PolarHBondContact O-OG1 2.67Å; L6-T18 WeakPolarHBondContact CD2-OG1 3.43Å; T18-Y110 HydrophobicContact CG2-CD1 3.77Å; T18-Y110 HydrophobicContact CG2-CE1 3.63Å; T18-V175 HydrophobicContact CG2-CG1 4.03Å
19S90.3Very high79.1Confident0 Ų046.8 Ų46.80%029%0.288CS..EExtended strand (participates in β ladder)trans-137.8123.6169.5-163.60000109.2V4 T5 D116 Q120V4-S19 WeakPolarHBondContact CA-O 3.4Å; T5-S19 PolarHBondContact N-O 3.13Å; T5-S19 PolarHBondContact O-N 3.43Å; S19-D116 WeakPolarHBondContact CA-OD1 3.25Å; S19-D116 WeakPolarHBondContact CB-OD1 3.26Å; S19-D116 PolarHBondContact OG-OD1 2.51Å; S19-Q120 PolarHBondContact OG-NE2 3.37Å
20V83.5Confident78.2Confident18 Ų1847.6 Ų47.611%0.10929%0.293CS..EExtended strand (participates in β ladder)trans-124132.1178.8-177.10000107.8V4 G22 T25 I30V4-V20 HydrophobicContact CG1-CG2 4.29Å; V4-V20 HydrophobicContact CG2-CG1 4.4Å; V20-G22 PolarHBondContact O-N 3.38Å; V20-T25 HydrophobicContact CG1-CG2 4.4Å; V20-I30 HydrophobicContact CG1-CD1 3.75Å
21E72.6Confident77.4Confident59 Ų5950.7 Ų50.728%0.27632%0.321SS..  trans-67.7124170.9-15292.5-148.600109.1Y3 T25 K123Y3-E21 PolarHBondContact O-N 2.97Å; E21-T25 HydrophobicContact CB-CG2 3.96Å; E21-T25 WeakPolarHBondContact O-CB 3.44Å; E21-T25 WeakPolarHBondContact O-CG2 3.4Å; E21-T25 PolarHBondContact O-OG1 3.47Å; E21-K123 IonicContact OE2-NZ 3.62Å; E21-K123 PolarHBondContact OE2-NZ 3.28Å
22G61Low77Confident40 Ų4051.2 Ų51.241%0.41231%0.311SS..SBendtrans-73.2-43.2-170.100000115.1V20V20-G22 PolarHBondContact O-N 3.38Å
23D53.4Low76.9Confident144 Ų14448 Ų4877%0.7729%0.293SS*.SBendtrans-95.7-39-167.1-74.3-21.8000113.7T25D23-T25 VanDerWaalsContact C-N 3.26Å; D23-T25 PolarHBondContact O-N 3.14Å
24E51.2Low76.6Confident113 Ų11348 Ų4853%0.52829%0.29SS..THydrogen-bonded Turntrans-79.5-9-174-64.1-172.3153.800113.9
25T53.3Low76.2Confident7 Ų748.2 Ų48.24%0.04329%0.293CS..THydrogen-bonded Turntrans-95.1-9.4-168.956.10000115.1V20 E21 D23 G27 I28 I30V20-T25 HydrophobicContact CG1-CG2 4.4Å; E21-T25 HydrophobicContact CB-CG2 3.96Å; E21-T25 WeakPolarHBondContact O-CB 3.44Å; E21-T25 WeakPolarHBondContact O-CG2 3.4Å; E21-T25 PolarHBondContact O-OG1 3.47Å; D23-T25 VanDerWaalsContact C-N 3.26Å; D23-T25 PolarHBondContact O-N 3.14Å; T25-G27 PolarHBondContact O-N 3.22Å; T25-G27 VanDerWaalsContact O-N 3.13Å; T25-I28 HydrophobicContact CG2-CD1 4.49Å; T25-I28 PolarHBondContact O-N 2.9Å; T25-I28 VanDerWaalsContact O-N 3.12Å; T25-I30 HydrophobicContact CG2-CD1 3.79Å; T25-I30 HydrophobicContact CG2-CG1 4Å; T25-I30 WeakPolarHBondContact OG1-CD1 3.29Å
26Q56.6Low76.1Confident170 Ų17047.3 Ų47.379%0.79429%0.287SS*.THydrogen-bonded Turntrans-58-29.6179.7-65.2-173.113.800112.5
27G60.9Low76Confident79 Ų7947.3 Ų47.381%0.81429%0.287SS*.THydrogen-bonded Turntrans-88.8-16.1179.100000115.8T25T25-G27 PolarHBondContact O-N 3.22Å; T25-G27 VanDerWaalsContact O-N 3.13Å
28I66.7Low75.7Confident35 Ų3548.1 Ų48.118%0.17929%0.291CS..THydrogen-bonded Turntrans-83.9-19.7-167.7-62.9173.4000111.9Y3 T25 Y33Y3-I28 HydrophobicContact CD1-CD1 3.14Å; Y3-I28 HydrophobicContact CD2-CD1 4.39Å; Y3-I28 HydrophobicContact CE1-CD1 3.06Å; Y3-I28 HydrophobicContact CE1-CG1 4.44Å; Y3-I28 HydrophobicContact CE2-CD1 4.37Å; Y3-I28 HydrophobicContact CG-CD1 3.81Å; T25-I28 HydrophobicContact CG2-CD1 4.49Å; T25-I28 PolarHBondContact O-N 2.9Å; T25-I28 VanDerWaalsContact O-N 3.12Å; I28-Y33 HydrophobicContact CG2-CD2 4.01Å; I28-Y33 HydrophobicContact CG2-CE2 3.6Å; I28-Y33 WeakPolarHBondContact O-CE2 3.34Å
29G74.8Confident75.6Confident39 Ų3948.9 Ų48.940%0.40229%0.293SS..THydrogen-bonded Turntrans7347.5-17200000111.7A31 K32G29-A31 PolarHBondContact O-N 2.95Å; G29-K32 WeakPolarHBondContact O-CB 3.5Å; G29-K32 PolarHBondContact O-N 3.04Å
30I78Confident75.8Confident36 Ų3648.9 Ų48.919%0.18529%0.293CS..Hα-helixtrans-43.5-40177.9-62.9163.7000112.2V4 V20 T25 K32 Y33 T34V4-I30 HydrophobicContact CG2-CG2 4.23Å; V20-I30 HydrophobicContact CG1-CD1 3.75Å; T25-I30 HydrophobicContact CG2-CD1 3.79Å; T25-I30 HydrophobicContact CG2-CG1 4Å; T25-I30 WeakPolarHBondContact OG1-CD1 3.29Å; I30-K32 PolarHBondContact O-N 3.03Å; I30-K32 VanDerWaalsContact O-N 3.15Å; I30-Y33 PolarHBondContact O-N 3.3Å; I30-T34 VanDerWaalsContact CG2-OG1 3.25Å; I30-T34 WeakPolarHBondContact CG2-OG1 3.46Å; I30-T34 PolarHBondContact O-N 3.28Å; I30-T34 PolarHBondContact O-OG1 3.16Å
31A79.5Confident76.2Confident80 Ų8048.4 Ų48.466%0.66129%0.29SS*.Hα-helixtrans-52.5-39.3-177.900000112.6G29 S35G29-A31 PolarHBondContact O-N 2.95Å; A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 2.93Å; A31-S35 VanDerWaalsContact O-N 3.1Å
32K84.8Confident77.1Confident105 Ų10553.3 Ų53.346%0.45731%0.306SS..Hα-helixtrans-61.4-53.9174.4179.8-167.1171.4-169.60110.6G29 I30 T34 S35 Q36G29-K32 WeakPolarHBondContact O-CB 3.5Å; G29-K32 PolarHBondContact O-N 3.04Å; I30-K32 PolarHBondContact O-N 3.03Å; I30-K32 VanDerWaalsContact O-N 3.15Å; K32-T34 PolarHBondContact O-N 2.77Å; K32-S35 WeakPolarHBondContact O-CB 3.28Å; K32-S35 PolarHBondContact O-N 3.17Å; K32-S35 VanDerWaalsContact O-N 3.15Å; K32-Q36 PolarHBondContact O-N 2.99Å
33Y88.3Confident78.5Confident16 Ų1654.3 Ų54.36%0.06330%0.299CS..Hα-helixtrans-66.3-38-176-62.9-68.8000112.3I28 I30 S35 Q36 A37 S56 H59 F61 L74I28-Y33 HydrophobicContact CG2-CD2 4.01Å; I28-Y33 HydrophobicContact CG2-CE2 3.6Å; I28-Y33 WeakPolarHBondContact O-CE2 3.34Å; I30-Y33 PolarHBondContact O-N 3.3Å; Y33-S35 VanDerWaalsContact C-N 3.29Å; Y33-S35 PolarHBondContact O-N 2.92Å; Y33-Q36 PolarHBondContact O-N 2.63Å; Y33-A37 WeakPolarHBondContact O-CB 3.49Å; Y33-A37 PolarHBondContact O-N 3.29Å; Y33-S56 WeakPolarHBondContact CE1-OG 3.47Å; Y33-H59 HydrophobicContact CE1-CB 3.94Å; Y33-H59 AromaticContact CE2-ND1 3.89Å; Y33-H59 AromaticContact CZ-CG 3.85Å; Y33-H59 AromaticContact CZ-ND1 3.38Å; Y33-H59 PolarHBondContact OH-ND1 3.5Å; Y33-F61 AromaticContact CD1-CE2 3.98Å; Y33-F61 HydrophobicContact CD1-CE2 3.98Å; Y33-F61 HydrophobicContact CD1-CZ 4.05Å; Y33-F61 HydrophobicContact CG-CZ 4.43Å; Y33-F61 WeakPolarHBondContact O-CZ 3.35Å; Y33-L74 HydrophobicContact CD1-CD1 3.71Å; Y33-L74 HydrophobicContact CD1-CD2 4.03Å; Y33-L74 HydrophobicContact CD2-CD2 3.75Å; Y33-L74 HydrophobicContact CE1-CD1 4.21Å; Y33-L74 HydrophobicContact CE2-CD2 4.46Å; Y33-L74 HydrophobicContact CG-CD1 4.07Å; Y33-L74 HydrophobicContact CG-CD2 3.51Å; Y33-L74 HydrophobicContact CG-CG 4.45Å
34T85.8Confident80.3Confident11 Ų1148.1 Ų48.17%0.06727%0.266CS..Hα-helixtrans-65.8-34.4174.4-51.90000111.6I30 K32 K38 N172I30-T34 VanDerWaalsContact CG2-OG1 3.25Å; I30-T34 WeakPolarHBondContact CG2-OG1 3.46Å; I30-T34 PolarHBondContact O-N 3.28Å; I30-T34 PolarHBondContact O-OG1 3.16Å; K32-T34 PolarHBondContact O-N 2.77Å; T34-K38 WeakPolarHBondContact O-CG 3.33Å; T34-K38 PolarHBondContact O-N 3.38Å; T34-K38 VanDerWaalsContact O-N 3.12Å; T34-N172 WeakPolarHBondContact CG2-ND2 3.27Å
35S85.9Confident82.3Confident22 Ų2246.3 Ų46.315%0.15426%0.26CS..Hα-helixtrans-64.6-48.1172.6-169.50000111.3A31 K32 Y33 A37 K38 M39A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 2.93Å; A31-S35 VanDerWaalsContact O-N 3.1Å; K32-S35 WeakPolarHBondContact O-CB 3.28Å; K32-S35 PolarHBondContact O-N 3.17Å; K32-S35 VanDerWaalsContact O-N 3.15Å; Y33-S35 VanDerWaalsContact C-N 3.29Å; Y33-S35 PolarHBondContact O-N 2.92Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.29Å; S35-K38 PolarHBondContact O-N 3.2Å; S35-M39 WeakPolarHBondContact O-CG 3.42Å; S35-M39 PolarHBondContact O-N 3.32Å
36Q90.6Very high84Confident4 Ų455 Ų552%0.01930%0.3CS..Hα-helixtrans-60.4-42176.2-72.9176.3-35.800112.2K32 Y33 K38 M39 L40 S56 F61 I153 E154 I157K32-Q36 PolarHBondContact O-N 2.99Å; Y33-Q36 PolarHBondContact O-N 2.63Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 3.12Å; Q36-M39 HydrophobicContact CG-CE 4.19Å; Q36-M39 PolarHBondContact O-N 3.43Å; Q36-L40 WeakPolarHBondContact O-CB 3.47Å; Q36-L40 PolarHBondContact O-N 3.39Å; Q36-S56 VanDerWaalsContact CD-OG 3.22Å; Q36-S56 PolarHBondContact NE2-OG 3.13Å; Q36-S56 PolarHBondContact OE1-OG 3.01Å; Q36-F61 HydrophobicContact CB-CE2 4.3Å; Q36-F61 HydrophobicContact CB-CZ 4.44Å; Q36-I153 HydrophobicContact CB-CD1 3.79Å; Q36-E154 PolarHBondContact NE2-OE1 3.16Å; Q36-I157 HydrophobicContact CB-CD1 3.96Å; Q36-I157 HydrophobicContact CG-CD1 4.2Å; Q36-I157 WeakPolarHBondContact O-CD1 3.34Å
37A92.3Very high85.6Confident0 Ų054.3 Ų54.30%030%0.301CS..Hα-helixtrans-60.4-42.2176.900000112.5L6 Y33 S35 L40 F41 F61 L72L6-A37 HydrophobicContact CD1-CB 3.49Å; L6-A37 VanDerWaalsContact CD1-CB 3.49Å; Y33-A37 WeakPolarHBondContact O-CB 3.49Å; Y33-A37 PolarHBondContact O-N 3.29Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.29Å; A37-L40 WeakPolarHBondContact O-CB 3.44Å; A37-L40 PolarHBondContact O-N 3.34Å; A37-F41 WeakPolarHBondContact O-CD2 3.26Å; A37-F41 VanDerWaalsContact O-CG 3.29Å; A37-F41 WeakPolarHBondContact O-CG 3.34Å; A37-F41 PolarHBondContact O-N 3.48Å; A37-F61 HydrophobicContact CB-CE1 4.11Å; A37-F61 HydrophobicContact CB-CZ 4.38Å; A37-L72 HydrophobicContact CB-CD2 3.51Å
38K88.8Confident87.1Confident17 Ų1751.6 Ų51.67%0.07427%0.27CS..Hα-helixtrans-66.2-42.4175.9-71.4-178.8-177.5-177.70112.1T34 S35 Q36 L40 F41 R42 D168 N172T34-K38 WeakPolarHBondContact O-CG 3.33Å; T34-K38 PolarHBondContact O-N 3.38Å; T34-K38 VanDerWaalsContact O-N 3.12Å; S35-K38 PolarHBondContact O-N 3.2Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 3.12Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 2.87Å; K38-F41 PolarHBondContact O-N 3.45Å; K38-R42 WeakPolarHBondContact O-CG 3.45Å; K38-R42 PolarHBondContact O-N 3.09Å; K38-R42 VanDerWaalsContact O-N 3.17Å; K38-D168 HydrophobicContact CD-CB 4.02Å; K38-D168 WeakPolarHBondContact CD-OD1 3.15Å; K38-D168 WeakPolarHBondContact CD-OD2 3.44Å; K38-D168 PolarHBondContact NZ-O 3.37Å; K38-D168 IonicContact NZ-OD1 2.69Å; K38-D168 PolarHBondContact NZ-OD1 2.85Å; K38-D168 IonicContact NZ-OD2 3.84Å; K38-N172 PolarHBondContact NZ-OD1 3.27Å
39M90.2Very high88.4Confident31 Ų3152.4 Ų52.415%0.15328%0.278CS..Hα-helixtrans-61.9-41.3174.7-70.9-172.4-6700111.3S35 Q36 R42 K43 I157 L163 I165S35-M39 WeakPolarHBondContact O-CG 3.42Å; S35-M39 PolarHBondContact O-N 3.32Å; Q36-M39 HydrophobicContact CG-CE 4.19Å; Q36-M39 PolarHBondContact O-N 3.43Å; M39-R42 PolarHBondContact O-N 3.28Å; M39-K43 PolarHBondContact O-N 3.41Å; M39-I157 HydrophobicContact CB-CD1 3.84Å; M39-I157 HydrophobicContact CB-CG1 4Å; M39-I157 HydrophobicContact CB-CG2 3.74Å; M39-I157 HydrophobicContact CE-CD1 4.1Å; M39-I157 HydrophobicContact CE-CG2 4.04Å; M39-I157 HydrophobicContact CG-CG2 4.29Å; M39-I157 HydrophobicContact SD-CG2 3.73Å; M39-L163 HydrophobicContact CE-CD2 3.95Å; M39-L163 HydrophobicContact SD-CD2 3.52Å; M39-L163 VanDerWaalsContact SD-CD2 3.52Å; M39-I165 HydrophobicContact CE-CD1 4.45Å; M39-I165 HydrophobicContact SD-CG1 4.17Å
40L93.3Very high89.4Confident0 Ų056.7 Ų56.70%029%0.285CS..Hα-helixtrans-58.1-50.2172.8174.363.4000111.2Q36 A37 K38 R42 K43 L44 L54 Y63 L72 V156Q36-L40 WeakPolarHBondContact O-CB 3.47Å; Q36-L40 PolarHBondContact O-N 3.39Å; A37-L40 WeakPolarHBondContact O-CB 3.44Å; A37-L40 PolarHBondContact O-N 3.34Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-L40 PolarHBondContact O-N 2.87Å; L40-R42 PolarHBondContact O-N 2.69Å; L40-R42 VanDerWaalsContact O-N 3.16Å; L40-K43 PolarHBondContact O-N 2.98Å; L40-L44 HydrophobicContact CD1-CD2 4.06Å; L40-L44 HydrophobicContact CD1-CG 4.18Å; L40-L44 HydrophobicContact CG-CD1 4.31Å; L40-L44 HydrophobicContact CG-CG 4.32Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.25Å; L40-L54 HydrophobicContact CD1-CD1 3.48Å; L40-L54 VanDerWaalsContact CD1-CD1 3.48Å; L40-L54 HydrophobicContact CD2-CD1 3.58Å; L40-L54 HydrophobicContact CG-CD1 4.15Å; L40-Y63 HydrophobicContact CD2-CD1 4.19Å; L40-L72 HydrophobicContact CD2-CD1 3.84Å; L40-L72 HydrophobicContact CD2-CD2 4.4Å; L40-V156 HydrophobicContact CD1-CG1 3.86Å
41F93.4Very high90.2Very high8 Ų857.5 Ų57.54%0.03529%0.288CS..Hα-helixtrans-58.4-29.8179-66-39000113.6L6 A8 A37 K38 K43 L44 C70 L72L6-F41 HydrophobicContact CB-CE2 3.98Å; L6-F41 HydrophobicContact CB-CZ 3.81Å; L6-F41 HydrophobicContact CD1-CE2 4.45Å; A8-F41 HydrophobicContact CB-CD1 3.81Å; A8-F41 HydrophobicContact CB-CD2 3.6Å; A8-F41 HydrophobicContact CB-CE1 3.79Å; A8-F41 HydrophobicContact CB-CE2 3.58Å; A8-F41 HydrophobicContact CB-CG 3.73Å; A8-F41 HydrophobicContact CB-CZ 3.67Å; A37-F41 WeakPolarHBondContact O-CD2 3.26Å; A37-F41 VanDerWaalsContact O-CG 3.29Å; A37-F41 WeakPolarHBondContact O-CG 3.34Å; A37-F41 PolarHBondContact O-N 3.48Å; K38-F41 PolarHBondContact O-N 3.45Å; F41-K43 VanDerWaalsContact C-N 3.33Å; F41-L44 HydrophobicContact CD1-CD1 4.16Å; F41-C70 HydrophobicContact CD1-CB 4.26Å; F41-C70 HydrophobicContact CE1-CB 4.01Å; F41-L72 HydrophobicContact CE1-CB 4.02Å; F41-L72 HydrophobicContact CE1-CD2 3.98Å; F41-L72 HydrophobicContact CE2-CD2 4.33Å; F41-L72 HydrophobicContact CZ-CB 3.88Å; F41-L72 HydrophobicContact CZ-CD2 3.63Å; F41-L72 HydrophobicContact CZ-CG 4.41Å
42R89.7Confident91Very high162 Ų16253.7 Ų53.761%0.61126%0.256SS*.Hα-helixtrans-74.4-20.1174.1-67.7177.3-178.1172.83.5113.9K38 M39 L40 D168K38-R42 WeakPolarHBondContact O-CG 3.45Å; K38-R42 PolarHBondContact O-N 3.09Å; K38-R42 VanDerWaalsContact O-N 3.17Å; M39-R42 PolarHBondContact O-N 3.28Å; L40-R42 PolarHBondContact O-N 2.69Å; L40-R42 VanDerWaalsContact O-N 3.16Å; R42-D168 IonicContact NH2-OD2 3.77Å
43K90.5Very high91.6Very high62 Ų6248.7 Ų48.727%0.2723%0.234SC..Hα-helixtrans-95.1-22.2179.2-64.4-65.2175.8-173.80112.7M39 L40 F41 E161M39-K43 PolarHBondContact O-N 3.41Å; L40-K43 PolarHBondContact O-N 2.98Å; F41-K43 VanDerWaalsContact C-N 3.33Å; K43-E161 IonicContact NZ-OE2 3.9Å; K43-E161 PolarHBondContact NZ-OE2 3.43Å
44L92.7Very high92Very high13 Ų1348 Ų487%0.06823%0.232CC..  trans-67.8146.5175.5-64.1179.1000111.3V10 L40 F41 S48 Y63 I65 C70V10-L44 HydrophobicContact CG1-CB 4.49Å; L40-L44 HydrophobicContact CD1-CD2 4.06Å; L40-L44 HydrophobicContact CD1-CG 4.18Å; L40-L44 HydrophobicContact CG-CD1 4.31Å; L40-L44 HydrophobicContact CG-CG 4.32Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.25Å; F41-L44 HydrophobicContact CD1-CD1 4.16Å; L44-S48 WeakPolarHBondContact CA-OG 3.2Å; L44-Y63 HydrophobicContact CD2-CE1 4.13Å; L44-Y63 HydrophobicContact CD2-CE2 4.18Å; L44-I65 HydrophobicContact CD1-CD1 4.24Å; L44-I65 HydrophobicContact CD2-CD1 4.29Å; L44-C70 HydrophobicContact CD1-CB 4.07Å; L44-C70 WeakPolarHBondContact CD1-SG 3.37Å
45N92.3Very high92.5Very high76 Ų7651.7 Ų51.741%0.40625%0.248SC..  trans-156.8-177.3177.757.755.7000109.6N47 S48N45-N47 PolarHBondContact O-N 2.99Å; N45-N47 VanDerWaalsContact O-N 3.16Å; N45-N47 WeakPolarHBondContact OD1-CA 3.43Å; N45-N47 WeakPolarHBondContact OD1-CB 3.37Å; N45-N47 PolarHBondContact OD1-N 2.7Å; N45-S48 PolarHBondContact N-OG 3.43Å; N45-S48 WeakPolarHBondContact O-CB 3.47Å; N45-S48 PolarHBondContact O-N 2.74Å; N45-S48 PolarHBondContact O-OG 3.18Å; N45-S48 PolarHBondContact OD1-N 3.28Å; N45-S48 PolarHBondContact OD1-OG 3.39Å
46E89.2Confident92.8Very high188 Ų18850.8 Ų50.888%0.87924%0.242SC*.THydrogen-bonded Turntrans-61-23.6-177.9-60.5-176.7168.300114.4
47N90.8Very high92.8Very high156 Ų15653.6 Ų53.683%0.83427%0.272SS*.THydrogen-bonded Turntrans-90.6-2.2177.7-61-47.3000113N45N45-N47 PolarHBondContact O-N 2.99Å; N45-N47 VanDerWaalsContact O-N 3.16Å; N45-N47 WeakPolarHBondContact OD1-CA 3.43Å; N45-N47 WeakPolarHBondContact OD1-CB 3.37Å; N45-N47 PolarHBondContact OD1-N 2.7Å
48S92.2Very high92.7Very high22 Ų2256.8 Ų56.815%0.15430%0.298CS..SBendtrans-68.5146.1178-61.50000110.8L44 N45 K50L44-S48 WeakPolarHBondContact CA-OG 3.2Å; N45-S48 PolarHBondContact N-OG 3.43Å; N45-S48 WeakPolarHBondContact O-CB 3.47Å; N45-S48 PolarHBondContact O-N 2.74Å; N45-S48 PolarHBondContact O-OG 3.18Å; N45-S48 PolarHBondContact OD1-N 3.28Å; N45-S48 PolarHBondContact OD1-OG 3.39Å; S48-K50 PolarHBondContact O-N 3.41Å
49P93.3Very high92.9Very high53 Ų5356.8 Ų56.834%0.34430%0.298SS..  trans-54.2135.6176.2-24.533.3000111.2K51 Y63 M149P49-K51 PolarHBondContact O-N 3.45Å; P49-Y63 WeakPolarHBondContact O-CE2 3.49Å; P49-Y63 PolarHBondContact O-OH 3.1Å; P49-M149 HydrophobicContact CG-SD 4.39Å
50K94.9Very high93.2Very high129 Ų12955.9 Ų55.956%0.56129%0.294SS*.SBendtrans-61.3-32.9178.5-76.7-161.7170.7-155.10113.3S48 L64 I65 E66S48-K50 PolarHBondContact O-N 3.41Å; K50-L64 CarbonylContact O-C 3.44Å; K50-L64 VanDerWaalsContact O-CA 3.3Å; K50-L64 WeakPolarHBondContact O-CA 3.45Å; K50-I65 PolarHBondContact O-N 2.95Å; K50-E66 IonicContact NZ-OE1 3.48Å; K50-E66 PolarHBondContact NZ-OE1 3.19Å; K50-E66 IonicContact NZ-OE2 2.95Å
51K96Very high93.4Very high53 Ų5356 Ų5623%0.2329%0.294CS..EExtended strand (participates in β ladder)trans-130.7129.1179-68.7-178.7175.6-179.40108.8P49 Y63 L64 F85 E89 I148P49-K51 PolarHBondContact O-N 3.45Å; K51-Y63 WeakPolarHBondContact CA-O 3.43Å; K51-L64 HydrophobicContact CD-CD1 4.27Å; K51-L64 HydrophobicContact CG-CD1 3.61Å; K51-F85 HydrophobicContact CB-CD1 4.34Å; K51-F85 HydrophobicContact CB-CE1 3.59Å; K51-F85 HydrophobicContact CB-CZ 4.12Å; K51-F85 HydrophobicContact CD-CD1 3.93Å; K51-F85 HydrophobicContact CD-CE1 4.05Å; K51-F85 HydrophobicContact CG-CD1 4.01Å; K51-F85 HydrophobicContact CG-CE1 3.67Å; K51-E89 WeakPolarHBondContact CE-OE1 3.3Å; K51-E89 IonicContact NZ-OE1 3.69Å; K51-E89 PolarHBondContact NZ-OE1 3.33Å; K51-I148 HydrophobicContact CB-CD1 4.39Å; K51-I148 HydrophobicContact CB-CG1 4.19Å; K51-I148 HydrophobicContact CD-CD1 4.28Å
52C96.4Very high93.5Very high0 Ų055.7 Ų55.70%029%0.293CS..EExtended strand (participates in β ladder)trans-153.5152.5176.2-169.20000111.2Y63 M149C52-Y63 HydrophobicContact CB-CD1 4.09Å; C52-Y63 HydrophobicContact CB-CE1 3.39Å; C52-Y63 HydrophobicContact CB-CE2 4.08Å; C52-Y63 WeakPolarHBondContact CB-OH 3.49Å; C52-Y63 PolarHBondContact N-O 2.98Å; C52-Y63 VanDerWaalsContact N-O 3.17Å; C52-Y63 PolarHBondContact O-N 3.18Å; C52-M149 PolarHBondContact SG-O 2.87Å
53S97.3Very high93.9Very high0 Ų048.4 Ų48.40%027%0.266CS..EExtended strand (participates in β ladder)trans-117132.6173.4-49.30000109.7F61 H62 I148 M149 V150 Q151S53-F61 CarbonylContact C-O 3.38Å; S53-F61 WeakPolarHBondContact CA-O 3.44Å; S53-H62 VanDerWaalsContact CB-ND1 3.29Å; S53-H62 WeakPolarHBondContact CB-ND1 3.42Å; S53-H62 PolarHBondContact OG-CE1 3.25Å; S53-H62 PolarHBondContact OG-ND1 2.85Å; S53-I148 WeakPolarHBondContact OG-CG2 3.41Å; S53-M149 PolarHBondContact N-O 2.99Å; S53-V150 CarbonylContact O-C 3.59Å; S53-V150 VanDerWaalsContact O-CA 3.3Å; S53-V150 WeakPolarHBondContact O-CA 3.26Å; S53-Q151 PolarHBondContact O-N 3.49Å
54L96.7Very high94.3Very high1 Ų145.6 Ų45.61%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-125110-176.2-54.2174.1000110.4L40 F61 Y63 Q151 I153 V156L40-L54 HydrophobicContact CD1-CD1 3.48Å; L40-L54 VanDerWaalsContact CD1-CD1 3.48Å; L40-L54 HydrophobicContact CD2-CD1 3.58Å; L40-L54 HydrophobicContact CG-CD1 4.15Å; L54-F61 HydrophobicContact CB-CB 4.18Å; L54-F61 PolarHBondContact N-O 2.84Å; L54-F61 PolarHBondContact O-N 2.93Å; L54-Y63 HydrophobicContact CD1-CD1 4.25Å; L54-Y63 HydrophobicContact CD1-CE1 4.04Å; L54-Y63 HydrophobicContact CG-CE1 4.42Å; L54-Q151 CarbonylContact C-O 3.58Å; L54-Q151 VanDerWaalsContact CA-O 3.22Å; L54-Q151 WeakPolarHBondContact CA-O 3.45Å; L54-Q151 HydrophobicContact CD2-CB 3.8Å; L54-I153 HydrophobicContact CB-CB 3.98Å; L54-I153 HydrophobicContact CB-CD1 4.5Å; L54-I153 HydrophobicContact CB-CG1 4.31Å; L54-I153 HydrophobicContact CD1-CG1 4.3Å; L54-V156 HydrophobicContact CD2-CG2 3.69Å
55E96.2Very high94.5Very high89 Ų8945.9 Ų45.942%0.41626%0.255SS..EExtended strand (participates in β ladder)trans-68.8136.3177.1-64.6-174.114300110.7I60 L77 V150 Q151 I153E55-I60 HydrophobicContact CG-CD1 4.02Å; E55-I60 HydrophobicContact CG-CG1 4.39Å; E55-L77 HydrophobicContact CG-CD2 4.41Å; E55-V150 HydrophobicContact CG-CG1 3.95Å; E55-Q151 PolarHBondContact N-O 3.47Å; E55-I153 WeakPolarHBondContact O-CB 3.3Å; E55-I153 VanDerWaalsContact O-CG2 3.31Å; E55-I153 WeakPolarHBondContact O-CG2 3.41Å; E55-I153 PolarHBondContact O-N 3.42Å
56S92.7Very high94.7Very high3 Ų345.3 Ų45.32%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-138.779.5177.4-172.40000110.5Y33 Q36 A58 H59Y33-S56 WeakPolarHBondContact CE1-OG 3.47Å; Q36-S56 VanDerWaalsContact CD-OG 3.22Å; Q36-S56 PolarHBondContact NE2-OG 3.13Å; Q36-S56 PolarHBondContact OE1-OG 3.01Å; S56-A58 PolarHBondContact O-N 3.47Å; S56-H59 CarbonylContact C-O 3.55Å; S56-H59 WeakPolarHBondContact CA-O 3.26Å; S56-H59 PolarHBondContact N-O 3.04Å; S56-H59 PolarHBondContact O-N 3.38Å
57G89.7Confident94.9Very high63 Ų6341.3 Ų41.365%0.64924%0.235SC*.THydrogen-bonded Turntrans62.7-116.7-177.500000111.7H59G57-H59 VanDerWaalsContact C-N 3.27Å; G57-H59 PolarHBondContact O-N 3.43Å
58A89.9Confident95.1Very high66 Ų6639.5 Ų39.555%0.54522%0.219SC..THydrogen-bonded Turntrans-81.3-2.5-178.500000114.4S56S56-A58 PolarHBondContact O-N 3.47Å
59H93.6Very high95.4Very high18 Ų1838.6 Ų38.68%0.08321%0.213CC..EExtended strand (participates in β ladder)trans-128.6165.7-176-61.579.6000110.7Y3 Y33 S56 G57 L74 C75Y3-H59 AromaticContact CD2-CD2 3.6Å; Y3-H59 AromaticContact CD2-NE2 3.98Å; Y3-H59 AromaticContact CE2-CD2 3.3Å; Y3-H59 WeakPolarHBondContact CE2-CD2 3.38Å; Y3-H59 AromaticContact CE2-NE2 3.47Å; Y3-H59 WeakPolarHBondContact CE2-NE2 3.19Å; Y3-H59 AromaticContact CZ-NE2 3.86Å; Y33-H59 HydrophobicContact CE1-CB 3.94Å; Y33-H59 AromaticContact CE2-ND1 3.89Å; Y33-H59 AromaticContact CZ-CG 3.85Å; Y33-H59 AromaticContact CZ-ND1 3.38Å; Y33-H59 PolarHBondContact OH-ND1 3.5Å; S56-H59 CarbonylContact C-O 3.55Å; S56-H59 WeakPolarHBondContact CA-O 3.26Å; S56-H59 PolarHBondContact N-O 3.04Å; S56-H59 PolarHBondContact O-N 3.38Å; G57-H59 VanDerWaalsContact C-N 3.27Å; G57-H59 PolarHBondContact O-N 3.43Å; H59-L74 HydrophobicContact CB-CD1 3.62Å; H59-L74 HydrophobicContact CB-CG 4.26Å; H59-C75 WeakPolarHBondContact CA-O 3.33Å
60I95.8Very high95.6Very high12 Ų1236.1 Ų36.16%0.06220%0.197CC..EExtended strand (participates in β ladder)trans-132.2139.2177.3-169.8163.2000109.9E55 H62 C75 L77E55-I60 HydrophobicContact CG-CD1 4.02Å; E55-I60 HydrophobicContact CG-CG1 4.39Å; I60-H62 WeakPolarHBondContact CG2-NE2 3.37Å; I60-C75 VanDerWaalsContact CG2-SG 3.59Å; I60-C75 PolarHBondContact N-O 3.13Å; I60-C75 PolarHBondContact O-N 2.95Å; I60-L77 HydrophobicContact CB-CD2 3.84Å; I60-L77 HydrophobicContact CD1-CD2 4.36Å; I60-L77 HydrophobicContact CG2-CD2 4.3Å
61F97.4Very high95.8Very high2 Ų230 Ų301%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-91.3139.2166.9-72.6-80.3000109.5Y33 Q36 A37 S53 L54 L72 C73 L74 I153Y33-F61 AromaticContact CD1-CE2 3.98Å; Y33-F61 HydrophobicContact CD1-CE2 3.98Å; Y33-F61 HydrophobicContact CD1-CZ 4.05Å; Y33-F61 HydrophobicContact CG-CZ 4.43Å; Y33-F61 WeakPolarHBondContact O-CZ 3.35Å; Q36-F61 HydrophobicContact CB-CE2 4.3Å; Q36-F61 HydrophobicContact CB-CZ 4.44Å; A37-F61 HydrophobicContact CB-CE1 4.11Å; A37-F61 HydrophobicContact CB-CZ 4.38Å; S53-F61 CarbonylContact C-O 3.38Å; S53-F61 WeakPolarHBondContact CA-O 3.44Å; L54-F61 HydrophobicContact CB-CB 4.18Å; L54-F61 PolarHBondContact N-O 2.84Å; L54-F61 PolarHBondContact O-N 2.93Å; F61-L72 HydrophobicContact CB-CD1 3.9Å; F61-L72 HydrophobicContact CD1-CD1 3.72Å; F61-L72 HydrophobicContact CD1-CD2 3.91Å; F61-L72 HydrophobicContact CD1-CG 3.87Å; F61-L72 HydrophobicContact CE1-CD2 4.06Å; F61-L72 HydrophobicContact CE1-CG 4.46Å; F61-L72 HydrophobicContact CG-CD1 4.18Å; F61-C73 CarbonylContact C-O 3.53Å; F61-C73 VanDerWaalsContact CA-O 3.26Å; F61-C73 WeakPolarHBondContact CA-O 3.44Å; F61-L74 HydrophobicContact CD1-CB 4.1Å; F61-L74 HydrophobicContact CD1-CD1 3.98Å; F61-L74 HydrophobicContact CD2-CD1 4.05Å; F61-L74 HydrophobicContact CE1-CB 3.92Å; F61-L74 HydrophobicContact CE1-CD1 3.77Å; F61-L74 HydrophobicContact CE1-CG 4.37Å; F61-L74 HydrophobicContact CE2-CD1 3.85Å; F61-L74 HydrophobicContact CG-CD1 4.15Å; F61-L74 HydrophobicContact CZ-CD1 3.72Å; F61-I153 HydrophobicContact CD2-CD1 3.3Å; F61-I153 HydrophobicContact CE2-CD1 3.35Å; F61-I153 HydrophobicContact CG-CD1 4.2Å; F61-I153 HydrophobicContact CZ-CD1 4.29Å
62H97.3Very high95.8Very high1 Ų127.6 Ų27.61%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-120.7135.9163.3-58.8-68.3000107.9S53 I60 L72 C73 C75 A84 F85 L88S53-H62 VanDerWaalsContact CB-ND1 3.29Å; S53-H62 WeakPolarHBondContact CB-ND1 3.42Å; S53-H62 PolarHBondContact OG-CE1 3.25Å; S53-H62 PolarHBondContact OG-ND1 2.85Å; I60-H62 WeakPolarHBondContact CG2-NE2 3.37Å; H62-L72 CarbonylContact O-C 3.58Å; H62-L72 WeakPolarHBondContact O-CA 3.4Å; H62-C73 PolarHBondContact N-O 2.81Å; H62-C73 PolarHBondContact O-N 3.14Å; H62-C75 PolarHBondContact CD2-SG 2.77Å; H62-A84 HydrophobicContact CB-CB 4.27Å; H62-A84 WeakPolarHBondContact CD2-CB 3.45Å; H62-F85 HydrophobicContact CB-CD2 4.48Å; H62-F85 HydrophobicContact CB-CE2 3.85Å; H62-F85 HydrophobicContact CB-CZ 4.05Å; H62-F85 AromaticContact CG-CE2 3.96Å; H62-F85 AromaticContact ND1-CE2 3.68Å; H62-L88 HydrophobicContact CB-CD1 3.98Å; H62-L88 WeakPolarHBondContact O-CD1 3.29Å
63Y98Very high95.8Very high9 Ų927.6 Ų27.64%0.03516%0.16CC..EExtended strand (participates in β ladder)trans-130.9149.1172.476.8-104.6000113.2L40 L44 P49 K51 C52 L54 I65 Y71 F85L40-Y63 HydrophobicContact CD2-CD1 4.19Å; L44-Y63 HydrophobicContact CD2-CE1 4.13Å; L44-Y63 HydrophobicContact CD2-CE2 4.18Å; P49-Y63 WeakPolarHBondContact O-CE2 3.49Å; P49-Y63 PolarHBondContact O-OH 3.1Å; K51-Y63 WeakPolarHBondContact CA-O 3.43Å; C52-Y63 HydrophobicContact CB-CD1 4.09Å; C52-Y63 HydrophobicContact CB-CE1 3.39Å; C52-Y63 HydrophobicContact CB-CE2 4.08Å; C52-Y63 WeakPolarHBondContact CB-OH 3.49Å; C52-Y63 PolarHBondContact N-O 2.98Å; C52-Y63 VanDerWaalsContact N-O 3.17Å; C52-Y63 PolarHBondContact O-N 3.18Å; L54-Y63 HydrophobicContact CD1-CD1 4.25Å; L54-Y63 HydrophobicContact CD1-CE1 4.04Å; L54-Y63 HydrophobicContact CG-CE1 4.42Å; Y63-I65 HydrophobicContact CD2-CD1 4.21Å; Y63-I65 HydrophobicContact CD2-CG1 3.87Å; Y63-I65 HydrophobicContact CE2-CD1 3.72Å; Y63-I65 HydrophobicContact CE2-CG1 3.86Å; Y63-Y71 CarbonylContact C-O 3.34Å; Y63-Y71 WeakPolarHBondContact CA-O 3.4Å; Y63-F85 VanDerWaalsContact O-CE1 3.26Å; Y63-F85 WeakPolarHBondContact O-CE1 3.46Å
64L97.4Very high95.7Very high4 Ų427.7 Ų27.72%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-123.2128.1171.3173.268.2000108K50 K51 C70 Y71 L88 E89K50-L64 CarbonylContact O-C 3.44Å; K50-L64 VanDerWaalsContact O-CA 3.3Å; K50-L64 WeakPolarHBondContact O-CA 3.45Å; K51-L64 HydrophobicContact CD-CD1 4.27Å; K51-L64 HydrophobicContact CG-CD1 3.61Å; L64-C70 WeakPolarHBondContact O-CA 2.88Å; L64-Y71 PolarHBondContact N-O 3.5Å; L64-Y71 WeakPolarHBondContact O-CD2 3.27Å; L64-Y71 PolarHBondContact O-N 3.43Å; L64-L88 HydrophobicContact CB-CB 4.09Å; L64-L88 HydrophobicContact CB-CD1 4.31Å; L64-L88 HydrophobicContact CD2-CB 4.31Å; L64-E89 HydrophobicContact CD2-CG 3.92Å
65I97.4Very high95.6Very high19 Ų1927.7 Ų27.710%0.09716%0.16CC..EExtended strand (participates in β ladder)trans-103.9120170.3-62171.6000108.3V10 L44 K50 Y63 V69 C70V10-I65 HydrophobicContact CG2-CD1 4.43Å; V10-I65 HydrophobicContact CG2-CG1 4.31Å; V10-I65 HydrophobicContact CG2-CG2 3.86Å; L44-I65 HydrophobicContact CD1-CD1 4.24Å; L44-I65 HydrophobicContact CD2-CD1 4.29Å; K50-I65 PolarHBondContact O-N 2.95Å; Y63-I65 HydrophobicContact CD2-CD1 4.21Å; Y63-I65 HydrophobicContact CD2-CG1 3.87Å; Y63-I65 HydrophobicContact CE2-CD1 3.72Å; Y63-I65 HydrophobicContact CE2-CG1 3.86Å; I65-V69 WeakPolarHBondContact CA-O 3.49Å; I65-C70 HydrophobicContact CG1-CB 4.16Å
66E96.4Very high95.3Very high64 Ų6425.4 Ų25.430%0.29915%0.151SC..EExtended strand (participates in β ladder)trans-142.7139.4173.2-159.667.4-101.300109.6K50 K68 V69 Y71K50-E66 IonicContact NZ-OE1 3.48Å; K50-E66 PolarHBondContact NZ-OE1 3.19Å; K50-E66 IonicContact NZ-OE2 2.95Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.18Å; E66-V69 PolarHBondContact N-O 3.31Å; E66-V69 PolarHBondContact O-N 2.96Å; E66-V69 VanDerWaalsContact O-O 3.07Å; E66-Y71 HydrophobicContact CB-CE2 4.26Å
67D94.2Very high95.2Very high104 Ų10429.1 Ų29.156%0.55617%0.17SC*.THydrogen-bonded Turntrans47.948177.5-61-35.3000114.3V69D67-V69 PolarHBondContact O-N 3.17Å; D67-V69 VanDerWaalsContact O-N 3.14Å
68K94.3Very high95.2Very high118 Ų11835.5 Ų35.551%0.51318%0.18SC..THydrogen-bonded Turntrans63.610.5-178.4-43.1174.5-169.5171.80114.9V10 E66 D104V10-K68 WeakPolarHBondContact CB-O 3.18Å; V10-K68 WeakPolarHBondContact CG2-O 3.47Å; V10-K68 PolarHBondContact N-O 3.38Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.18Å; K68-D104 IonicContact NZ-OD1 3.49Å; K68-D104 IonicContact NZ-OD2 2.99Å; K68-D104 PolarHBondContact NZ-OD2 2.84Å
69V97.7Very high95.1Very high3 Ų332.9 Ų32.92%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-113.2133.2177.7-179.40000109.6I7 L16 I65 E66 D67 Y71 F95 V103I7-V69 HydrophobicContact CG2-CG1 3.36Å; L16-V69 HydrophobicContact CD1-CG1 4.16Å; L16-V69 HydrophobicContact CD1-CG2 4.13Å; I65-V69 WeakPolarHBondContact CA-O 3.49Å; E66-V69 PolarHBondContact N-O 3.31Å; E66-V69 PolarHBondContact O-N 2.96Å; E66-V69 VanDerWaalsContact O-O 3.07Å; D67-V69 PolarHBondContact O-N 3.17Å; D67-V69 VanDerWaalsContact O-N 3.14Å; V69-Y71 HydrophobicContact CB-CE2 3.84Å; V69-Y71 HydrophobicContact CG1-CD1 4.31Å; V69-Y71 HydrophobicContact CG1-CD2 4.28Å; V69-Y71 HydrophobicContact CG1-CE1 3.77Å; V69-Y71 HydrophobicContact CG1-CE2 3.74Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.46Å; V69-F95 HydrophobicContact CG1-CE1 4.3Å; V69-F95 HydrophobicContact CG2-CE1 4.3Å; V69-V103 HydrophobicContact CG2-CG1 3.77Å; V69-V103 HydrophobicContact CG2-CG2 4.06Å
70C98.1Very high94.8Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-97.9122.3170.8-174.20000109.7I7 A8 V10 F41 L44 L64 I65I7-C70 WeakPolarHBondContact CA-O 3.28Å; A8-C70 PolarHBondContact N-O 3.41Å; A8-C70 PolarHBondContact O-N 2.97Å; V10-C70 HydrophobicContact CG2-CB 3.95Å; F41-C70 HydrophobicContact CD1-CB 4.26Å; F41-C70 HydrophobicContact CE1-CB 4.01Å; L44-C70 HydrophobicContact CD1-CB 4.07Å; L44-C70 WeakPolarHBondContact CD1-SG 3.37Å; L64-C70 WeakPolarHBondContact O-CA 2.88Å; I65-C70 HydrophobicContact CG1-CB 4.16Å
71Y98.3Very high94.6Very high2 Ų235.3 Ų35.31%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-103.5115.2173.9-54.2-87.9000107.8I7 Y63 L64 E66 V69 L91 S92 F95I7-Y71 HydrophobicContact CD1-CD1 4.04Å; I7-Y71 HydrophobicContact CD1-CE1 4.22Å; I7-Y71 HydrophobicContact CG1-CD1 4.09Å; I7-Y71 HydrophobicContact CG2-CD1 3.96Å; I7-Y71 HydrophobicContact CG2-CE1 3.9Å; Y63-Y71 CarbonylContact C-O 3.34Å; Y63-Y71 WeakPolarHBondContact CA-O 3.4Å; L64-Y71 PolarHBondContact N-O 3.5Å; L64-Y71 WeakPolarHBondContact O-CD2 3.27Å; L64-Y71 PolarHBondContact O-N 3.43Å; E66-Y71 HydrophobicContact CB-CE2 4.26Å; V69-Y71 HydrophobicContact CB-CE2 3.84Å; V69-Y71 HydrophobicContact CG1-CD1 4.31Å; V69-Y71 HydrophobicContact CG1-CD2 4.28Å; V69-Y71 HydrophobicContact CG1-CE1 3.77Å; V69-Y71 HydrophobicContact CG1-CE2 3.74Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.46Å; Y71-L91 HydrophobicContact CD1-CD2 4.08Å; Y71-L91 HydrophobicContact CD1-CG 4.11Å; Y71-S92 VanDerWaalsContact CE2-CB 3.4Å; Y71-F95 HydrophobicContact CE1-CB 3.76Å; Y71-F95 AromaticContact CE1-CD1 3.93Å; Y71-F95 HydrophobicContact CE1-CD1 3.93Å; Y71-F95 AromaticContact CE1-CG 3.94Å; Y71-F95 HydrophobicContact CE1-CG 3.94Å; Y71-F95 WeakPolarHBondContact OH-CD1 3.29Å
72L98Very high94.2Very high2 Ų235.9 Ų35.91%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-121.9135.1-172.8179.476.4000109.8T5 L6 A37 L40 F41 F61 H62T5-L72 CarbonylContact C-O 3.47Å; T5-L72 VanDerWaalsContact CA-O 3.31Å; T5-L72 WeakPolarHBondContact CA-O 3.26Å; L6-L72 HydrophobicContact CB-CB 4.39Å; L6-L72 HydrophobicContact CB-CD2 4.41Å; L6-L72 HydrophobicContact CD1-CD2 4.26Å; L6-L72 PolarHBondContact N-O 2.91Å; L6-L72 PolarHBondContact O-N 3.21Å; A37-L72 HydrophobicContact CB-CD2 3.51Å; L40-L72 HydrophobicContact CD2-CD1 3.84Å; L40-L72 HydrophobicContact CD2-CD2 4.4Å; F41-L72 HydrophobicContact CE1-CB 4.02Å; F41-L72 HydrophobicContact CE1-CD2 3.98Å; F41-L72 HydrophobicContact CE2-CD2 4.33Å; F41-L72 HydrophobicContact CZ-CB 3.88Å; F41-L72 HydrophobicContact CZ-CD2 3.63Å; F41-L72 HydrophobicContact CZ-CG 4.41Å; F61-L72 HydrophobicContact CB-CD1 3.9Å; F61-L72 HydrophobicContact CD1-CD1 3.72Å; F61-L72 HydrophobicContact CD1-CD2 3.91Å; F61-L72 HydrophobicContact CD1-CG 3.87Å; F61-L72 HydrophobicContact CE1-CD2 4.06Å; F61-L72 HydrophobicContact CE1-CG 4.46Å; F61-L72 HydrophobicContact CG-CD1 4.18Å; H62-L72 CarbonylContact O-C 3.58Å; H62-L72 WeakPolarHBondContact O-CA 3.4Å
73C96.1Very high93.8Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-126.4144.4167.369.90000112I2 V4 F61 H62 F87 L88I2-C73 HydrophobicContact CG2-CB 3.93Å; V4-C73 CarbonylContact O-C 3.54Å; V4-C73 VanDerWaalsContact O-CA 3.26Å; V4-C73 WeakPolarHBondContact O-CA 3.29Å; F61-C73 CarbonylContact C-O 3.53Å; F61-C73 VanDerWaalsContact CA-O 3.26Å; F61-C73 WeakPolarHBondContact CA-O 3.44Å; H62-C73 PolarHBondContact N-O 2.81Å; H62-C73 PolarHBondContact O-N 3.14Å; C73-F87 HydrophobicContact CB-CD1 4.42Å; C73-F87 HydrophobicContact CB-CE1 4.06Å; C73-L88 HydrophobicContact CB-CD2 4.12Å
74L95.2Very high93.6Very high2 Ų235.9 Ų35.91%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-101.9127.3167.5-179.574.5000108.8I2 Y3 V4 Y33 H59 F61I2-L74 CarbonylContact C-O 3.39Å; Y3-L74 PolarHBondContact N-O 2.95Å; V4-L74 HydrophobicContact CB-CB 4.09Å; V4-L74 HydrophobicContact CG2-CD2 4.33Å; V4-L74 PolarHBondContact O-N 3.33Å; Y33-L74 HydrophobicContact CD1-CD1 3.71Å; Y33-L74 HydrophobicContact CD1-CD2 4.03Å; Y33-L74 HydrophobicContact CD2-CD2 3.75Å; Y33-L74 HydrophobicContact CE1-CD1 4.21Å; Y33-L74 HydrophobicContact CE2-CD2 4.46Å; Y33-L74 HydrophobicContact CG-CD1 4.07Å; Y33-L74 HydrophobicContact CG-CD2 3.51Å; Y33-L74 HydrophobicContact CG-CG 4.45Å; H59-L74 HydrophobicContact CB-CD1 3.62Å; H59-L74 HydrophobicContact CB-CG 4.26Å; F61-L74 HydrophobicContact CD1-CB 4.1Å; F61-L74 HydrophobicContact CD1-CD1 3.98Å; F61-L74 HydrophobicContact CD2-CD1 4.05Å; F61-L74 HydrophobicContact CE1-CB 3.92Å; F61-L74 HydrophobicContact CE1-CD1 3.77Å; F61-L74 HydrophobicContact CE1-CG 4.37Å; F61-L74 HydrophobicContact CE2-CD1 3.85Å; F61-L74 HydrophobicContact CG-CD1 4.15Å; F61-L74 HydrophobicContact CZ-CD1 3.72Å
75C92.9Very high93.4Very high0 Ų035.8 Ų35.80%018%0.179CC..EExtended strand (participates in β ladder)trans-142.5172.4179.457.90000112.6M1 I2 H59 I60 H62 L79M1-C75 WeakPolarHBondContact O-CA 3.42Å; M1-C75 WeakPolarHBondContact O-CB 3.43Å; I2-C75 HydrophobicContact CG1-CB 4.09Å; H59-C75 WeakPolarHBondContact CA-O 3.33Å; I60-C75 VanDerWaalsContact CG2-SG 3.59Å; I60-C75 PolarHBondContact N-O 3.13Å; I60-C75 PolarHBondContact O-N 2.95Å; H62-C75 PolarHBondContact CD2-SG 2.77Å; C75-L79 HydrophobicContact CB-CB 4.26Å; C75-L79 HydrophobicContact CB-CD2 3.59Å
76D90.9Very high93.1Very high41 Ų4135.8 Ų35.822%0.21918%0.181CC..EExtended strand (participates in β ladder)trans-61.2144.4168.3-70.1-55000111.1M1 Y3 K78 L79M1-D76 WeakPolarHBondContact CG-OD2 3.08Å; M1-D76 PolarHBondContact N-OD2 2.94Å; M1-D76 PolarHBondContact O-N 2.91Å; M1-D76 VanDerWaalsContact O-N 3.16Å; Y3-D76 WeakPolarHBondContact CE2-OD1 3.49Å; Y3-D76 PolarHBondContact OH-OD1 3.27Å; Y3-D76 PolarHBondContact OH-OD2 3.4Å; D76-K78 PolarHBondContact O-N 3Å; D76-K78 VanDerWaalsContact O-N 3.08Å; D76-L79 WeakPolarHBondContact O-CB 3.31Å; D76-L79 PolarHBondContact O-N 3.27Å
77L91Very high93Very high81 Ų8132.8 Ų32.842%0.42417%0.167SC..THydrogen-bonded Turntrans-55.2-26169.4-72.7164.3000113.2E55 I60 L79E55-L77 HydrophobicContact CG-CD2 4.41Å; I60-L77 HydrophobicContact CB-CD2 3.84Å; I60-L77 HydrophobicContact CD1-CD2 4.36Å; I60-L77 HydrophobicContact CG2-CD2 4.3Å; L77-L79 VanDerWaalsContact C-N 3.31Å
78K88.6Confident93.1Very high197 Ų19727.8 Ų27.886%0.85714%0.141SC*.THydrogen-bonded Turntrans-80.4-9.8179.7-61.6-179.1-177.2176.90113.4D76 P80D76-K78 PolarHBondContact O-N 3Å; D76-K78 VanDerWaalsContact O-N 3.08Å; K78-P80 WeakPolarHBondContact O-CD 3.39Å
79L88.1Confident93.2Very high11 Ų1124.5 Ų24.56%0.05813%0.127CC..SBendtrans-72.3124.5174.9-171.670.4000108.3I2 C75 D76 L77 T81 V83 A84 I127I2-L79 HydrophobicContact CD1-CD2 4.19Å; I2-L79 HydrophobicContact CG1-CD2 3.65Å; C75-L79 HydrophobicContact CB-CB 4.26Å; C75-L79 HydrophobicContact CB-CD2 3.59Å; D76-L79 WeakPolarHBondContact O-CB 3.31Å; D76-L79 PolarHBondContact O-N 3.27Å; L77-L79 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 3.38Å; L79-V83 HydrophobicContact CD1-CB 4.48Å; L79-V83 HydrophobicContact CD1-CG1 4.19Å; L79-A84 HydrophobicContact CD2-CB 4.14Å; L79-I127 HydrophobicContact CD1-CD1 3.74Å; L79-I127 HydrophobicContact CD2-CD1 4.27Å
80P88.7Confident93Very high39 Ų3926 Ų2625%0.25313%0.134SC..  trans-59.6133.8176.5-21.831.7000110.3K78 S82 V83 A84K78-P80 WeakPolarHBondContact O-CD 3.39Å; P80-S82 PolarHBondContact O-N 3.32Å; P80-V83 HydrophobicContact CB-CG2 4.08Å; P80-V83 HydrophobicContact CG-CG2 4.19Å; P80-V83 WeakPolarHBondContact O-CB 3.16Å; P80-V83 PolarHBondContact O-N 3.44Å; P80-A84 PolarHBondContact O-N 3.19Å
81T90.2Very high93Very high43 Ų4326 Ų2626%0.26413%0.134SC..Hα-helixtrans-53.4-39.2178.6-47.80000111.5L79 V83 A84 F85 V145 I148L79-T81 PolarHBondContact O-N 3.38Å; T81-V83 VanDerWaalsContact C-N 3.31Å; T81-V83 PolarHBondContact O-N 3.18Å; T81-A84 PolarHBondContact O-N 3.06Å; T81-F85 HydrophobicContact CG2-CD2 3.63Å; T81-F85 HydrophobicContact CG2-CE2 3.67Å; T81-F85 WeakPolarHBondContact O-CD2 3.16Å; T81-F85 PolarHBondContact O-N 3.33Å; T81-V145 HydrophobicContact CG2-CG1 3.71Å; T81-I148 HydrophobicContact CG2-CD1 4.23Å
82S88.6Confident92.9Very high13 Ų1326.4 Ų26.49%0.09114%0.137CC..Hα-helixtrans-58.5-38.9177.357.90000113.7P80 A86 V138P80-S82 PolarHBondContact O-N 3.32Å; S82-A86 VanDerWaalsContact O-CB 3.28Å; S82-A86 WeakPolarHBondContact O-CB 3.47Å; S82-A86 PolarHBondContact O-N 2.99Å; S82-V138 VanDerWaalsContact CB-CG1 3.48Å; S82-V138 WeakPolarHBondContact OG-CG1 3.25Å
83V89.8Confident92.9Very high10 Ų1033 Ų336%0.06116%0.162CC..Hα-helixtrans-70.2-41.9178178.80000110.6L79 P80 T81 F87 I127L79-V83 HydrophobicContact CD1-CB 4.48Å; L79-V83 HydrophobicContact CD1-CG1 4.19Å; P80-V83 HydrophobicContact CB-CG2 4.08Å; P80-V83 HydrophobicContact CG-CG2 4.19Å; P80-V83 WeakPolarHBondContact O-CB 3.16Å; P80-V83 PolarHBondContact O-N 3.44Å; T81-V83 VanDerWaalsContact C-N 3.31Å; T81-V83 PolarHBondContact O-N 3.18Å; V83-F87 WeakPolarHBondContact O-CB 3.31Å; V83-F87 PolarHBondContact O-N 3.27Å; V83-I127 HydrophobicContact CG1-CD1 4.19Å
84A93.1Very high93Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-62.3-44.1177.500000111.5H62 L79 P80 T81 F87 L88H62-A84 HydrophobicContact CB-CB 4.27Å; H62-A84 WeakPolarHBondContact CD2-CB 3.45Å; L79-A84 HydrophobicContact CD2-CB 4.14Å; P80-A84 PolarHBondContact O-N 3.19Å; T81-A84 PolarHBondContact O-N 3.06Å; A84-F87 WeakPolarHBondContact O-CB 3.45Å; A84-F87 PolarHBondContact O-N 3.47Å; A84-L88 WeakPolarHBondContact O-CG 3.29Å; A84-L88 PolarHBondContact O-N 2.9Å
85F94Very high93.1Very high3 Ų336.8 Ų36.81%0.01318%0.179CC..Hα-helixtrans-72.8-37.2178.7-82.6-83.7000113.2K51 H62 Y63 T81 F87 L88 E89 I148K51-F85 HydrophobicContact CB-CD1 4.34Å; K51-F85 HydrophobicContact CB-CE1 3.59Å; K51-F85 HydrophobicContact CB-CZ 4.12Å; K51-F85 HydrophobicContact CD-CD1 3.93Å; K51-F85 HydrophobicContact CD-CE1 4.05Å; K51-F85 HydrophobicContact CG-CD1 4.01Å; K51-F85 HydrophobicContact CG-CE1 3.67Å; H62-F85 HydrophobicContact CB-CD2 4.48Å; H62-F85 HydrophobicContact CB-CE2 3.85Å; H62-F85 HydrophobicContact CB-CZ 4.05Å; H62-F85 AromaticContact CG-CE2 3.96Å; H62-F85 AromaticContact ND1-CE2 3.68Å; Y63-F85 VanDerWaalsContact O-CE1 3.26Å; Y63-F85 WeakPolarHBondContact O-CE1 3.46Å; T81-F85 HydrophobicContact CG2-CD2 3.63Å; T81-F85 HydrophobicContact CG2-CE2 3.67Å; T81-F85 WeakPolarHBondContact O-CD2 3.16Å; T81-F85 PolarHBondContact O-N 3.33Å; F85-F87 VanDerWaalsContact C-N 3.27Å; F85-F87 PolarHBondContact O-N 2.83Å; F85-L88 HydrophobicContact CD1-CD1 4.41Å; F85-L88 HydrophobicContact CE1-CD1 4.43Å; F85-L88 PolarHBondContact O-N 2.93Å; F85-L88 VanDerWaalsContact O-N 3.13Å; F85-E89 WeakPolarHBondContact O-CB 3.21Å; F85-E89 VanDerWaalsContact O-CG 3.28Å; F85-E89 WeakPolarHBondContact O-CG 3.22Å; F85-E89 PolarHBondContact O-N 3.2Å; F85-I148 HydrophobicContact CD1-CD1 3.99Å; F85-I148 HydrophobicContact CD2-CD1 3.38Å; F85-I148 HydrophobicContact CE1-CD1 3.98Å; F85-I148 HydrophobicContact CE2-CD1 3.38Å; F85-I148 HydrophobicContact CE2-CG1 4.47Å; F85-I148 HydrophobicContact CE2-CG2 3.83Å; F85-I148 HydrophobicContact CG-CD1 3.69Å; F85-I148 HydrophobicContact CZ-CD1 3.69Å; F85-I148 HydrophobicContact CZ-CG2 3.77Å
86A91.8Very high93.3Very high19 Ų1938 Ų3816%0.15719%0.188CC..Hα-helixtrans-59.1-41172.300000111.7S82 E89 E90S82-A86 VanDerWaalsContact O-CB 3.28Å; S82-A86 WeakPolarHBondContact O-CB 3.47Å; S82-A86 PolarHBondContact O-N 2.99Å; A86-E89 PolarHBondContact O-N 3.44Å; A86-E90 PolarHBondContact O-N 2.98Å; A86-E90 VanDerWaalsContact O-N 3.1Å
87F93.7Very high93.6Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-59.6-49.7171.4163.8-102000111.9I2 T5 C73 V83 A84 F85 E89 E90 L91 I119 I122 K123 H126I2-F87 HydrophobicContact CD1-CB 4.3Å; I2-F87 HydrophobicContact CD1-CD1 3.68Å; I2-F87 HydrophobicContact CD1-CD2 4.35Å; I2-F87 HydrophobicContact CD1-CE1 4.08Å; I2-F87 HydrophobicContact CD1-CG 3.84Å; T5-F87 HydrophobicContact CG2-CE1 4.06Å; T5-F87 HydrophobicContact CG2-CZ 4Å; C73-F87 HydrophobicContact CB-CD1 4.42Å; C73-F87 HydrophobicContact CB-CE1 4.06Å; V83-F87 WeakPolarHBondContact O-CB 3.31Å; V83-F87 PolarHBondContact O-N 3.27Å; A84-F87 WeakPolarHBondContact O-CB 3.45Å; A84-F87 PolarHBondContact O-N 3.47Å; F85-F87 VanDerWaalsContact C-N 3.27Å; F85-F87 PolarHBondContact O-N 2.83Å; F87-E89 VanDerWaalsContact C-N 3.32Å; F87-E89 PolarHBondContact O-N 2.89Å; F87-E90 PolarHBondContact O-N 2.95Å; F87-L91 HydrophobicContact CE1-CD2 4.28Å; F87-L91 HydrophobicContact CZ-CD2 4.21Å; F87-L91 VanDerWaalsContact O-CB 3.27Å; F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 PolarHBondContact O-N 3.47Å; F87-I119 HydrophobicContact CZ-CG2 4.07Å; F87-I122 HydrophobicContact CD2-CB 4.46Å; F87-I122 HydrophobicContact CD2-CG2 3.77Å; F87-I122 HydrophobicContact CE2-CB 4.31Å; F87-I122 HydrophobicContact CE2-CG2 4.05Å; F87-K123 HydrophobicContact CD2-CB 4.4Å; F87-K123 HydrophobicContact CE2-CB 3.82Å; F87-K123 HydrophobicContact CE2-CG 4.44Å; F87-K123 HydrophobicContact CZ-CB 4.5Å; F87-H126 HydrophobicContact CB-CB 4.24Å
88L96.6Very high93.8Very high0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-65-33.4-179.2-69176.1000113H62 L64 C73 A84 F85 L91 S92H62-L88 HydrophobicContact CB-CD1 3.98Å; H62-L88 WeakPolarHBondContact O-CD1 3.29Å; L64-L88 HydrophobicContact CB-CB 4.09Å; L64-L88 HydrophobicContact CB-CD1 4.31Å; L64-L88 HydrophobicContact CD2-CB 4.31Å; C73-L88 HydrophobicContact CB-CD2 4.12Å; A84-L88 WeakPolarHBondContact O-CG 3.29Å; A84-L88 PolarHBondContact O-N 2.9Å; F85-L88 HydrophobicContact CD1-CD1 4.41Å; F85-L88 HydrophobicContact CE1-CD1 4.43Å; F85-L88 PolarHBondContact O-N 2.93Å; F85-L88 VanDerWaalsContact O-N 3.13Å; L88-L91 HydrophobicContact CD2-CD2 4.29Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 3.16Å
89E95.2Very high94.1Very high49 Ų4932.7 Ų32.723%0.22918%0.176CC..Hα-helixtrans-72.5-39.2177.1-74174.4-176.400112.7K51 L64 F85 A86 F87 L91 S92 R93K51-E89 WeakPolarHBondContact CE-OE1 3.3Å; K51-E89 IonicContact NZ-OE1 3.69Å; K51-E89 PolarHBondContact NZ-OE1 3.33Å; L64-E89 HydrophobicContact CD2-CG 3.92Å; F85-E89 WeakPolarHBondContact O-CB 3.21Å; F85-E89 VanDerWaalsContact O-CG 3.28Å; F85-E89 WeakPolarHBondContact O-CG 3.22Å; F85-E89 PolarHBondContact O-N 3.2Å; A86-E89 PolarHBondContact O-N 3.44Å; F87-E89 VanDerWaalsContact C-N 3.32Å; F87-E89 PolarHBondContact O-N 2.89Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-S92 PolarHBondContact O-N 2.77Å; E89-S92 PolarHBondContact O-OG 2.69Å; E89-R93 WeakPolarHBondContact O-CG 3.07Å; E89-R93 PolarHBondContact O-N 2.67Å; E89-R93 VanDerWaalsContact O-N 3.13Å; E89-R93 PolarHBondContact O-NH1 3.49Å
90E95.1Very high94.3Very high33 Ų3335.3 Ų35.315%0.15420%0.195CC..Hα-helixtrans-67.7-39.9172.6-170.3163177.800110.9A86 F87 S92 R93 E94 I122 K125 H126A86-E90 PolarHBondContact O-N 2.98Å; A86-E90 VanDerWaalsContact O-N 3.1Å; F87-E90 PolarHBondContact O-N 2.95Å; E90-S92 VanDerWaalsContact C-N 3.34Å; E90-S92 PolarHBondContact O-N 3.32Å; E90-R93 PolarHBondContact O-N 2.82Å; E90-E94 PolarHBondContact O-N 2.88Å; E90-I122 HydrophobicContact CB-CG2 3.9Å; E90-I122 HydrophobicContact CG-CD1 4.39Å; E90-I122 HydrophobicContact CG-CG1 4.38Å; E90-I122 HydrophobicContact CG-CG2 3.92Å; E90-K125 IonicContact OE1-NZ 2.88Å; E90-K125 PolarHBondContact OE1-NZ 2.98Å; E90-K125 IonicContact OE2-NZ 3.81Å; E90-K125 PolarHBondContact OE2-NZ 3.08Å; E90-H126 IonicContact OE2-CD2 3.34Å; E90-H126 IonicContact OE2-CE1 2.69Å; E90-H126 IonicContact OE2-NE2 2.63Å; E90-H126 PolarHBondContact OE2-NE2 3.34Å
91L96.8Very high94.6Very high0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-59-43.8173.8-174.970.7000112.1T5 I7 Y71 F87 L88 E89 F95 F115 I119 I122T5-L91 HydrophobicContact CG2-CD2 3.61Å; I7-L91 HydrophobicContact CD1-CD1 4.3Å; I7-L91 HydrophobicContact CD1-CD2 4.21Å; I7-L91 HydrophobicContact CD1-CG 4.26Å; I7-L91 HydrophobicContact CG1-CD2 4.42Å; Y71-L91 HydrophobicContact CD1-CD2 4.08Å; Y71-L91 HydrophobicContact CD1-CG 4.11Å; F87-L91 HydrophobicContact CE1-CD2 4.28Å; F87-L91 HydrophobicContact CZ-CD2 4.21Å; F87-L91 VanDerWaalsContact O-CB 3.27Å; F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 PolarHBondContact O-N 3.47Å; L88-L91 HydrophobicContact CD2-CD2 4.29Å; E89-L91 VanDerWaalsContact C-N 3.34Å; L91-F95 VanDerWaalsContact O-CB 3.29Å; L91-F95 WeakPolarHBondContact O-CB 3.29Å; L91-F95 PolarHBondContact O-N 2.83Å; L91-F115 HydrophobicContact CD1-CE1 3.59Å; L91-F115 HydrophobicContact CD1-CZ 4.27Å; L91-I119 HydrophobicContact CD1-CB 4.25Å; L91-I119 HydrophobicContact CD1-CD1 4.47Å; L91-I119 HydrophobicContact CD1-CG1 3.83Å; L91-I119 HydrophobicContact CD1-CG2 4.14Å; L91-I122 HydrophobicContact CD1-CD1 4.23Å
92S97.6Very high94.8Very high11 Ų1142.3 Ų42.38%0.07722%0.221CC..Hα-helixtrans-66.8-41.1-179.973.20000112Y71 L88 E89 E90 S96Y71-S92 VanDerWaalsContact CE2-CB 3.4Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 3.16Å; E89-S92 PolarHBondContact O-N 2.77Å; E89-S92 PolarHBondContact O-OG 2.69Å; E90-S92 VanDerWaalsContact C-N 3.34Å; E90-S92 PolarHBondContact O-N 3.32Å; S92-S96 WeakPolarHBondContact O-CB 3.48Å; S92-S96 PolarHBondContact O-N 2.85Å; S92-S96 PolarHBondContact O-OG 3.25Å
93R97.5Very high95.1Very high140 Ų14041.9 Ų41.953%0.52822%0.218SC..Hα-helixtrans-62.3-47.1175.4-72.3-172.6-60.4-93.82.6112.3E89 E90 S96 G97E89-R93 WeakPolarHBondContact O-CG 3.07Å; E89-R93 PolarHBondContact O-N 2.67Å; E89-R93 VanDerWaalsContact O-N 3.13Å; E89-R93 PolarHBondContact O-NH1 3.49Å; E90-R93 PolarHBondContact O-N 2.82Å; R93-S96 PolarHBondContact O-OG 3.41Å; R93-S96 VanDerWaalsContact O-OG 3.11Å; R93-G97 PolarHBondContact O-N 3.41Å
94E97.7Very high95.3Very high81 Ų8145.5 Ų45.538%0.37924%0.237SC..Hα-helixtrans-65.9-41.4179.9-77.3-66.6147.800112.3E90 R98 F115 I122E90-E94 PolarHBondContact O-N 2.88Å; E94-R98 PolarHBondContact O-N 3.33Å; E94-R98 IonicContact OE2-NH2 2.67Å; E94-R98 PolarHBondContact OE2-NH2 2.93Å; E94-F115 HydrophobicContact CB-CE2 4.34Å; E94-F115 HydrophobicContact CB-CZ 3.93Å; E94-I122 HydrophobicContact CB-CD1 4.09Å; E94-I122 HydrophobicContact CG-CD1 3.9Å
95F98Very high95.4Very high1 Ų152 Ų520%0.00427%0.272CS..Hα-helixtrans-70.2-48179.5-174.3-89.6000111.9I7 L16 V69 Y71 L91 R98 Y99 V103 F112 F115I7-F95 HydrophobicContact CD1-CD2 3.79Å; I7-F95 HydrophobicContact CD1-CE2 4.21Å; I7-F95 HydrophobicContact CD1-CG 4.28Å; I7-F95 HydrophobicContact CG2-CD2 4.46Å; I7-F95 HydrophobicContact CG2-CE1 4.27Å; I7-F95 HydrophobicContact CG2-CE2 4.23Å; I7-F95 HydrophobicContact CG2-CZ 4.13Å; L16-F95 HydrophobicContact CB-CZ 4.2Å; L16-F95 HydrophobicContact CD1-CE1 4.17Å; L16-F95 HydrophobicContact CD1-CZ 3.96Å; V69-F95 HydrophobicContact CG1-CE1 4.3Å; V69-F95 HydrophobicContact CG2-CE1 4.3Å; Y71-F95 HydrophobicContact CE1-CB 3.76Å; Y71-F95 AromaticContact CE1-CD1 3.93Å; Y71-F95 HydrophobicContact CE1-CD1 3.93Å; Y71-F95 AromaticContact CE1-CG 3.94Å; Y71-F95 HydrophobicContact CE1-CG 3.94Å; Y71-F95 WeakPolarHBondContact OH-CD1 3.29Å; L91-F95 VanDerWaalsContact O-CB 3.29Å; L91-F95 WeakPolarHBondContact O-CB 3.29Å; L91-F95 PolarHBondContact O-N 2.83Å; F95-R98 PolarHBondContact O-N 2.92Å; F95-Y99 AromaticContact CD2-CD2 3.69Å; F95-Y99 HydrophobicContact CD2-CD2 3.69Å; F95-Y99 HydrophobicContact CD2-CE2 4.28Å; F95-Y99 AromaticContact CE2-CD2 3.61Å; F95-Y99 HydrophobicContact CE2-CD2 3.61Å; F95-Y99 HydrophobicContact CE2-CE2 4.28Å; F95-Y99 HydrophobicContact CG-CD2 4.27Å; F95-Y99 HydrophobicContact CZ-CD2 4.12Å; F95-Y99 PolarHBondContact O-N 3.28Å; F95-V103 HydrophobicContact CE1-CG2 3.79Å; F95-V103 HydrophobicContact CZ-CG2 4.38Å; F95-F112 HydrophobicContact CE2-CB 4.07Å; F95-F112 HydrophobicContact CE2-CD2 4Å; F95-F112 HydrophobicContact CE2-CG 4.25Å; F95-F112 AromaticContact CZ-CD2 3.61Å; F95-F112 HydrophobicContact CZ-CD2 3.61Å; F95-F112 HydrophobicContact CZ-CE2 4.08Å; F95-F112 HydrophobicContact CZ-CG 4.27Å; F95-F115 HydrophobicContact CB-CE1 3.88Å; F95-F115 HydrophobicContact CB-CZ 3.81Å; F95-F115 AromaticContact CD2-CD1 3.72Å; F95-F115 HydrophobicContact CD2-CD1 3.72Å; F95-F115 AromaticContact CD2-CE1 3.77Å; F95-F115 HydrophobicContact CD2-CE1 3.77Å; F95-F115 HydrophobicContact CD2-CG 4.12Å; F95-F115 HydrophobicContact CD2-CZ 4.23Å; F95-F115 HydrophobicContact CE2-CD1 4.47Å; F95-F115 HydrophobicContact CG-CE1 4.33Å
96S96.6Very high95.4Very high25 Ų2552.4 Ų52.418%0.17528%0.275CS..Hα-helixtrans-62.6-43.117958.40000111.6S92 R93 R98 Y99 S100S92-S96 WeakPolarHBondContact O-CB 3.48Å; S92-S96 PolarHBondContact O-N 2.85Å; S92-S96 PolarHBondContact O-OG 3.25Å; R93-S96 PolarHBondContact O-OG 3.41Å; R93-S96 VanDerWaalsContact O-OG 3.11Å; S96-R98 PolarHBondContact O-N 2.95Å; S96-Y99 PolarHBondContact O-N 3.06Å; S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 2.89Å; S96-S100 PolarHBondContact O-OG 2.9Å
97G96.3Very high95.4Very high72 Ų7256.3 Ų56.374%0.74230%0.3SS*.Hα-helixtrans-60.3-27.1177.200000113.6R93R93-G97 PolarHBondContact O-N 3.41Å
98R95.7Very high95.3Very high112 Ų11264.4 Ų64.442%0.42333%0.331SS..Hα-helixtrans-98.1-33.7-178.8-159176.2-67.2152.312.3114.2E94 F95 S96E94-R98 PolarHBondContact O-N 3.33Å; E94-R98 IonicContact OE2-NH2 2.67Å; E94-R98 PolarHBondContact OE2-NH2 2.93Å; F95-R98 PolarHBondContact O-N 2.92Å; S96-R98 PolarHBondContact O-N 2.95Å
99Y95.8Very high95Very high25 Ų2567.8 Ų67.810%0.09835%0.353CS..Hα-helixtrans-132.8-5.1-164.2-55.2-48000116F95 S96 N101 R102 V103 F112 F115F95-Y99 AromaticContact CD2-CD2 3.69Å; F95-Y99 HydrophobicContact CD2-CD2 3.69Å; F95-Y99 HydrophobicContact CD2-CE2 4.28Å; F95-Y99 AromaticContact CE2-CD2 3.61Å; F95-Y99 HydrophobicContact CE2-CD2 3.61Å; F95-Y99 HydrophobicContact CE2-CE2 4.28Å; F95-Y99 HydrophobicContact CG-CD2 4.27Å; F95-Y99 HydrophobicContact CZ-CD2 4.12Å; F95-Y99 PolarHBondContact O-N 3.28Å; S96-Y99 PolarHBondContact O-N 3.06Å; Y99-N101 VanDerWaalsContact C-N 3.28Å; Y99-N101 PolarHBondContact O-N 3.16Å; Y99-N101 VanDerWaalsContact O-N 3.14Å; Y99-R102 PolarHBondContact O-N 3.24Å; Y99-V103 WeakPolarHBondContact O-CG2 3.39Å; Y99-V103 PolarHBondContact O-N 2.89Å; Y99-F112 HydrophobicContact CD1-CD1 4.08Å; Y99-F112 HydrophobicContact CD1-CE1 4.24Å; Y99-F112 HydrophobicContact CD2-CB 4.39Å; Y99-F112 HydrophobicContact CD2-CD1 4.28Å; Y99-F112 HydrophobicContact CD2-CG 4.26Å; Y99-F112 HydrophobicContact CE1-CD1 4.3Å; Y99-F112 HydrophobicContact CE2-CB 4.28Å; Y99-F112 HydrophobicContact CG-CD1 4.04Å; Y99-F112 HydrophobicContact CG-CE1 4.26Å; Y99-F112 HydrophobicContact CG-CG 4.38Å; Y99-F115 HydrophobicContact CD2-CD2 4.48Å; Y99-F115 HydrophobicContact CE2-CB 4.03Å; Y99-F115 AromaticContact CE2-CD2 3.62Å; Y99-F115 HydrophobicContact CE2-CD2 3.62Å; Y99-F115 HydrophobicContact CE2-CE2 4.36Å; Y99-F115 HydrophobicContact CE2-CG 4.01Å
100S92.4Very high94.8Very high65 Ų6566.3 Ų66.346%0.45535%0.345SS..Hα-helixtrans-46.1-47.6-175.750.20000113.7S96 R102 V103S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 2.89Å; S96-S100 PolarHBondContact O-OG 2.9Å; S100-R102 PolarHBondContact O-N 3.17Å; S100-R102 VanDerWaalsContact O-N 3.17Å; S100-V103 PolarHBondContact O-N 3.32Å
101N93.6Very high94.7Very high123 Ų12368.7 Ų68.766%0.65836%0.356SS*.Hα-helixtrans-68.1-10.1179.864.7-23.4000115.4Y99Y99-N101 VanDerWaalsContact C-N 3.28Å; Y99-N101 PolarHBondContact O-N 3.16Å; Y99-N101 VanDerWaalsContact O-N 3.14Å
102R94.8Very high94.5Very high106 Ų10668.8 Ų68.840%0.436%0.357SS..Hα-helixtrans-108.8-16179.7-52-169.9-49.7178.68.7113.1Y99 S100 D104 N105 V106 F112Y99-R102 PolarHBondContact O-N 3.24Å; S100-R102 PolarHBondContact O-N 3.17Å; S100-R102 VanDerWaalsContact O-N 3.17Å; R102-D104 VanDerWaalsContact C-N 3.27Å; R102-D104 PolarHBondContact O-N 3.33Å; R102-N105 PolarHBondContact O-N 3.35Å; R102-N105 VanDerWaalsContact O-N 3.09Å; R102-V106 PolarHBondContact O-N 2.8Å; R102-F112 HydrophobicContact CB-CE1 4.38Å; R102-F112 HydrophobicContact CB-CZ 4.1Å; R102-F112 VanDerWaalsContact NH2-CD1 3.25Å
103V95.2Very high94.2Very high5 Ų570 Ų703%0.0336%0.362CS..Hα-helixtrans-56.2-41.3-174.7169.70000111.7R9 L16 V69 F95 Y99 S100 N105 V106 F112R9-V103 HydrophobicContact CG-CG1 4.22Å; R9-V103 PolarHBondContact NH1-O 2.76Å; L16-V103 HydrophobicContact CD1-CG1 4.01Å; L16-V103 HydrophobicContact CD1-CG2 4.35Å; V69-V103 HydrophobicContact CG2-CG1 3.77Å; V69-V103 HydrophobicContact CG2-CG2 4.06Å; F95-V103 HydrophobicContact CE1-CG2 3.79Å; F95-V103 HydrophobicContact CZ-CG2 4.38Å; Y99-V103 WeakPolarHBondContact O-CG2 3.39Å; Y99-V103 PolarHBondContact O-N 2.89Å; S100-V103 PolarHBondContact O-N 3.32Å; V103-N105 VanDerWaalsContact C-N 3.32Å; V103-N105 PolarHBondContact O-N 2.93Å; V103-V106 WeakPolarHBondContact O-CG2 3.41Å; V103-F112 HydrophobicContact CG2-CE2 4.44Å
104D94.3Very high93.8Very high85 Ų8570 Ų7046%0.45537%0.368SS..THydrogen-bonded Turntrans-71.4-26.3-177.9-72.8-18.4000112.6R9 K68 R102R9-D104 PolarHBondContact NH1-O 3.17Å; K68-D104 IonicContact NZ-OD1 3.49Å; K68-D104 IonicContact NZ-OD2 2.99Å; K68-D104 PolarHBondContact NZ-OD2 2.84Å; R102-D104 VanDerWaalsContact C-N 3.27Å; R102-D104 PolarHBondContact O-N 3.33Å
105N94.3Very high93.6Very high138 Ų13866.1 Ų66.174%0.73835%0.35SS*.THydrogen-bonded Turntrans-91.5-8.3-172.7-65.2-45.1000114.6R102 V103R102-N105 PolarHBondContact O-N 3.35Å; R102-N105 VanDerWaalsContact O-N 3.09Å; V103-N105 VanDerWaalsContact C-N 3.32Å; V103-N105 PolarHBondContact O-N 2.93Å
106V93.9Very high93.4Very high11 Ų1166.8 Ų66.87%0.06735%0.354CS..  trans-87.3138.9-179.8-640000111.6R9 L14 L16 R102 V103 H111 F112R9-V106 PolarHBondContact NH1-O 3.14Å; R9-V106 PolarHBondContact NH2-O 2.81Å; L14-V106 HydrophobicContact CD2-CG2 4.27Å; L14-V106 WeakPolarHBondContact CD2-O 3.22Å; L16-V106 HydrophobicContact CD2-CG2 3.79Å; R102-V106 PolarHBondContact O-N 2.8Å; V103-V106 WeakPolarHBondContact O-CG2 3.41Å; V106-H111 HydrophobicContact CB-CB 4.15Å; V106-H111 HydrophobicContact CG1-CB 4.07Å; V106-F112 HydrophobicContact CG1-CE1 4.26Å; V106-F112 HydrophobicContact CG1-CE2 4.3Å; V106-F112 HydrophobicContact CG1-CZ 3.67Å; V106-F112 HydrophobicContact CG2-CE2 3.96Å; V106-F112 HydrophobicContact CG2-CZ 4.12Å
107S92.5Very high93.2Very high100 Ų10069.9 Ų69.970%0.69937%0.373SS*.  trans-120.1-18.9177.157.40000113.2
108R90.8Very high93.1Very high171 Ų17167.5 Ų67.565%0.64535%0.345SS*.SBendtrans-83.2130.9179.8-70.6-178.570.5-110.21.5110.4H111R108-H111 PolarHBondContact O-N 3.35Å
109P90.7Very high93.1Very high71 Ų7162.2 Ų62.246%0.46133%0.325SS..THydrogen-bonded Turntrans-56.6142.2170.9-25.334.4000111.7L14 P15 H111L14-P109 HydrophobicContact CD1-CB 4.37Å; L14-P109 HydrophobicContact CD1-CG 3.97Å; P15-P109 CarbonylContact O-C 3.54Å; P15-P109 WeakPolarHBondContact O-CA 3.11Å; P109-H111 PolarHBondContact O-N 3.29Å
110Y91.3Very high92.9Very high17 Ų1762.7 Ų62.77%0.06733%0.328CS..THydrogen-bonded Turntrans58.333.7177.3-52.9-84.3000113.9P15 L16 T18 F112 I113 N172 V175P15-Y110 HydrophobicContact CB-CD1 4.06Å; P15-Y110 HydrophobicContact CB-CD2 4.24Å; P15-Y110 HydrophobicContact CB-CE1 3.65Å; P15-Y110 HydrophobicContact CB-CE2 3.86Å; P15-Y110 HydrophobicContact CB-CG 4.36Å; P15-Y110 HydrophobicContact CG-CE2 4.23Å; P15-Y110 PolarHBondContact O-N 3.46Å; L16-Y110 CarbonylContact O-C 3.47Å; L16-Y110 WeakPolarHBondContact O-CA 3.37Å; T18-Y110 HydrophobicContact CG2-CD1 3.77Å; T18-Y110 HydrophobicContact CG2-CE1 3.63Å; Y110-F112 PolarHBondContact O-N 3.13Å; Y110-F112 VanDerWaalsContact O-N 3.13Å; Y110-I113 WeakPolarHBondContact O-CB 3.37Å; Y110-I113 PolarHBondContact O-N 3.15Å; Y110-I113 VanDerWaalsContact O-N 3.15Å; Y110-N172 PolarHBondContact OH-OD1 3.38Å; Y110-V175 HydrophobicContact CD1-CG1 4.23Å; Y110-V175 HydrophobicContact CD1-CG2 4.3Å; Y110-V175 HydrophobicContact CD2-CB 4.42Å; Y110-V175 HydrophobicContact CD2-CG2 3.17Å; Y110-V175 HydrophobicContact CE1-CG1 4.45Å; Y110-V175 HydrophobicContact CE1-CG2 4.5Å; Y110-V175 HydrophobicContact CE2-CB 4.5Å; Y110-V175 HydrophobicContact CE2-CG2 3.44Å; Y110-V175 VanDerWaalsContact CE2-CG2 3.44Å; Y110-V175 HydrophobicContact CG-CG1 4.23Å; Y110-V175 HydrophobicContact CG-CG2 3.63Å
111H92.3Very high93Very high83 Ų8364.8 Ų64.838%0.38433%0.334SS..THydrogen-bonded Turntrans-54.4-33.1178.9-169.2103.6000112.7L16 V106 R108 P109L16-H111 PolarHBondContact O-N 3.36Å; V106-H111 HydrophobicContact CB-CB 4.15Å; V106-H111 HydrophobicContact CG1-CB 4.07Å; R108-H111 PolarHBondContact O-N 3.35Å; P109-H111 PolarHBondContact O-N 3.29Å
112F93.6Very high93Very high2 Ų259.1 Ų59.11%0.00930%0.304CS..THydrogen-bonded Turntrans-105.431.8-178-48.3-63.2000112.8L16 A17 F95 Y99 R102 V103 V106 Y110 E114 F115L16-F112 HydrophobicContact CB-CD2 4.01Å; L16-F112 HydrophobicContact CD2-CD2 4.24Å; L16-F112 HydrophobicContact CD2-CE2 4.02Å; L16-F112 WeakPolarHBondContact O-CA 3.5Å; L16-F112 PolarHBondContact O-N 3.05Å; A17-F112 HydrophobicContact CB-CB 4.38Å; A17-F112 WeakPolarHBondContact CB-O 3.5Å; F95-F112 HydrophobicContact CE2-CB 4.07Å; F95-F112 HydrophobicContact CE2-CD2 4Å; F95-F112 HydrophobicContact CE2-CG 4.25Å; F95-F112 AromaticContact CZ-CD2 3.61Å; F95-F112 HydrophobicContact CZ-CD2 3.61Å; F95-F112 HydrophobicContact CZ-CE2 4.08Å; F95-F112 HydrophobicContact CZ-CG 4.27Å; Y99-F112 HydrophobicContact CD1-CD1 4.08Å; Y99-F112 HydrophobicContact CD1-CE1 4.24Å; Y99-F112 HydrophobicContact CD2-CB 4.39Å; Y99-F112 HydrophobicContact CD2-CD1 4.28Å; Y99-F112 HydrophobicContact CD2-CG 4.26Å; Y99-F112 HydrophobicContact CE1-CD1 4.3Å; Y99-F112 HydrophobicContact CE2-CB 4.28Å; Y99-F112 HydrophobicContact CG-CD1 4.04Å; Y99-F112 HydrophobicContact CG-CE1 4.26Å; Y99-F112 HydrophobicContact CG-CG 4.38Å; R102-F112 HydrophobicContact CB-CE1 4.38Å; R102-F112 HydrophobicContact CB-CZ 4.1Å; R102-F112 VanDerWaalsContact NH2-CD1 3.25Å; V103-F112 HydrophobicContact CG2-CE2 4.44Å; V106-F112 HydrophobicContact CG1-CE1 4.26Å; V106-F112 HydrophobicContact CG1-CE2 4.3Å; V106-F112 HydrophobicContact CG1-CZ 3.67Å; V106-F112 HydrophobicContact CG2-CE2 3.96Å; V106-F112 HydrophobicContact CG2-CZ 4.12Å; Y110-F112 PolarHBondContact O-N 3.13Å; Y110-F112 VanDerWaalsContact O-N 3.13Å; F112-E114 PolarHBondContact O-N 3.45Å; F112-F115 WeakPolarHBondContact O-CB 3.36Å; F112-F115 PolarHBondContact O-N 3.46Å
113I90Very high92.8Very high36 Ų3654.5 Ų54.519%0.18529%0.287CS..G310 helixtrans-55.2-25.6177.6-165.1174.3000113.5Y110 F115 D116 V175Y110-I113 WeakPolarHBondContact O-CB 3.37Å; Y110-I113 PolarHBondContact O-N 3.15Å; Y110-I113 VanDerWaalsContact O-N 3.15Å; I113-F115 PolarHBondContact O-N 2.94Å; I113-F115 VanDerWaalsContact O-N 3.14Å; I113-D116 VanDerWaalsContact O-CB 3.29Å; I113-D116 WeakPolarHBondContact O-CB 3.28Å; I113-D116 PolarHBondContact O-N 2.98Å; I113-D116 VanDerWaalsContact O-N 3.13Å; I113-V175 HydrophobicContact CD1-CG1 3.76Å
114E90.2Very high92.6Very high140 Ų14059.9 Ų59.965%0.65431%0.31SS*.G310 helixtrans-68.5-7.9177.3-58.5-174.815700113.4F112 D116 P117 K182F112-E114 PolarHBondContact O-N 3.45Å; E114-D116 VanDerWaalsContact C-N 3.27Å; E114-P117 VanDerWaalsContact O-CD 3.29Å; E114-P117 WeakPolarHBondContact O-CD 3.21Å; E114-K182 IonicContact OE1-NZ 2.79Å; E114-K182 PolarHBondContact OE1-NZ 2.97Å
115F94.1Very high92.2Very high0 Ų061.2 Ų61.20%031%0.311CS..G310 helixtrans-74.7-16.2171.8-167.2-117.3000113.1I7 A17 L91 E94 F95 Y99 F112 I113 P117 C118 I119I7-F115 HydrophobicContact CD1-CD1 3.95Å; I7-F115 HydrophobicContact CD1-CE1 3.97Å; A17-F115 HydrophobicContact CB-CB 4.43Å; L91-F115 HydrophobicContact CD1-CE1 3.59Å; L91-F115 HydrophobicContact CD1-CZ 4.27Å; E94-F115 HydrophobicContact CB-CE2 4.34Å; E94-F115 HydrophobicContact CB-CZ 3.93Å; F95-F115 HydrophobicContact CB-CE1 3.88Å; F95-F115 HydrophobicContact CB-CZ 3.81Å; F95-F115 AromaticContact CD2-CD1 3.72Å; F95-F115 HydrophobicContact CD2-CD1 3.72Å; F95-F115 AromaticContact CD2-CE1 3.77Å; F95-F115 HydrophobicContact CD2-CE1 3.77Å; F95-F115 HydrophobicContact CD2-CG 4.12Å; F95-F115 HydrophobicContact CD2-CZ 4.23Å; F95-F115 HydrophobicContact CE2-CD1 4.47Å; F95-F115 HydrophobicContact CG-CE1 4.33Å; Y99-F115 HydrophobicContact CD2-CD2 4.48Å; Y99-F115 HydrophobicContact CE2-CB 4.03Å; Y99-F115 AromaticContact CE2-CD2 3.62Å; Y99-F115 HydrophobicContact CE2-CD2 3.62Å; Y99-F115 HydrophobicContact CE2-CE2 4.36Å; Y99-F115 HydrophobicContact CE2-CG 4.01Å; F112-F115 WeakPolarHBondContact O-CB 3.36Å; F112-F115 PolarHBondContact O-N 3.46Å; I113-F115 PolarHBondContact O-N 2.94Å; I113-F115 VanDerWaalsContact O-N 3.14Å; F115-P117 VanDerWaalsContact C-CD 3.46Å; F115-C118 HydrophobicContact CD2-CB 3.9Å; F115-C118 HydrophobicContact CE2-CB 3.74Å; F115-C118 VanDerWaalsContact CE2-SG 3.56Å; F115-C118 HydrophobicContact CG-CB 4.45Å; F115-C118 HydrophobicContact CZ-CB 4.15Å; F115-C118 WeakPolarHBondContact O-CA 3.35Å; F115-C118 VanDerWaalsContact O-CB 3.26Å; F115-C118 WeakPolarHBondContact O-CB 3.5Å; F115-C118 PolarHBondContact O-N 3.32Å; F115-I119 HydrophobicContact CD1-CD1 3.88Å; F115-I119 HydrophobicContact CD1-CG1 3.54Å; F115-I119 HydrophobicContact CE1-CD1 4.44Å; F115-I119 HydrophobicContact CE1-CG1 3.85Å; F115-I119 HydrophobicContact CG-CG1 4.44Å; F115-I119 PolarHBondContact O-N 3.4Å
116D92.4Very high91.8Very high15 Ų1556.4 Ų56.48%0.0829%0.285CS..Hα-helixtrans-48.5-44.9-176.9179.431.2000114.9S19 I113 E114 C118 I119 Q120 K179S19-D116 WeakPolarHBondContact CA-OD1 3.25Å; S19-D116 WeakPolarHBondContact CB-OD1 3.26Å; S19-D116 PolarHBondContact OG-OD1 2.51Å; I113-D116 VanDerWaalsContact O-CB 3.29Å; I113-D116 WeakPolarHBondContact O-CB 3.28Å; I113-D116 PolarHBondContact O-N 2.98Å; I113-D116 VanDerWaalsContact O-N 3.13Å; E114-D116 VanDerWaalsContact C-N 3.27Å; D116-C118 PolarHBondContact O-N 3.46Å; D116-I119 WeakPolarHBondContact O-CB 3.07Å; D116-I119 PolarHBondContact O-N 2.92Å; D116-Q120 WeakPolarHBondContact O-CG 3.26Å; D116-Q120 PolarHBondContact O-N 2.79Å; D116-K179 IonicContact OD1-NZ 2.75Å; D116-K179 WeakPolarHBondContact OD2-CE 3.12Å; D116-K179 IonicContact OD2-NZ 3.77Å; D116-K179 PolarHBondContact OD2-NZ 2.91Å
117P92.2Very high91.2Very high91 Ų9157 Ų5759%0.59129%0.287SS*.Hα-helixtrans-58.3-34.6176-24.535.7000113.7E114 F115 Q120 D121E114-P117 VanDerWaalsContact O-CD 3.29Å; E114-P117 WeakPolarHBondContact O-CD 3.21Å; F115-P117 VanDerWaalsContact C-CD 3.46Å; P117-Q120 PolarHBondContact O-N 2.9Å; P117-D121 WeakPolarHBondContact O-CB 3.4Å; P117-D121 PolarHBondContact O-N 3.13Å
118C94.9Very high90.3Very high22 Ų2255.6 Ų55.615%0.14927%0.272CS..Hα-helixtrans-70.4-41.2176-175.20000110.9F115 D116 Q120 D121 I122F115-C118 HydrophobicContact CD2-CB 3.9Å; F115-C118 HydrophobicContact CE2-CB 3.74Å; F115-C118 VanDerWaalsContact CE2-SG 3.56Å; F115-C118 HydrophobicContact CG-CB 4.45Å; F115-C118 HydrophobicContact CZ-CB 4.15Å; F115-C118 WeakPolarHBondContact O-CA 3.35Å; F115-C118 VanDerWaalsContact O-CB 3.26Å; F115-C118 WeakPolarHBondContact O-CB 3.5Å; F115-C118 PolarHBondContact O-N 3.32Å; D116-C118 PolarHBondContact O-N 3.46Å; C118-Q120 VanDerWaalsContact C-N 3.28Å; C118-Q120 PolarHBondContact O-N 2.75Å; C118-D121 PolarHBondContact O-N 3.17Å; C118-I122 VanDerWaalsContact O-CG1 3.26Å; C118-I122 WeakPolarHBondContact O-CG1 3.38Å; C118-I122 PolarHBondContact O-N 2.94Å
119I95.3Very high89Confident0 Ų053.7 Ų53.70%027%0.265CS..Hα-helixtrans-57.1-45.8173.3-50-171.4000110.5T5 I7 F87 L91 F115 D116 K123T5-I119 HydrophobicContact CG2-CG2 3.76Å; I7-I119 HydrophobicContact CD1-CD1 4.11Å; F87-I119 HydrophobicContact CZ-CG2 4.07Å; L91-I119 HydrophobicContact CD1-CB 4.25Å; L91-I119 HydrophobicContact CD1-CD1 4.47Å; L91-I119 HydrophobicContact CD1-CG1 3.83Å; L91-I119 HydrophobicContact CD1-CG2 4.14Å; F115-I119 HydrophobicContact CD1-CD1 3.88Å; F115-I119 HydrophobicContact CD1-CG1 3.54Å; F115-I119 HydrophobicContact CE1-CD1 4.44Å; F115-I119 HydrophobicContact CE1-CG1 3.85Å; F115-I119 HydrophobicContact CG-CG1 4.44Å; F115-I119 PolarHBondContact O-N 3.4Å; D116-I119 WeakPolarHBondContact O-CB 3.07Å; D116-I119 PolarHBondContact O-N 2.92Å; I119-K123 VanDerWaalsContact O-CB 3.27Å; I119-K123 WeakPolarHBondContact O-CB 3.22Å; I119-K123 PolarHBondContact O-N 2.81Å
120Q92.7Very high87.8Confident35 Ų3555.2 Ų55.216%0.16426%0.262CS..Hα-helixtrans-65-40.3179.8-71.7-73.1-16.900112.6S19 D116 P117 C118 K123 K124S19-Q120 PolarHBondContact OG-NE2 3.37Å; D116-Q120 WeakPolarHBondContact O-CG 3.26Å; D116-Q120 PolarHBondContact O-N 2.79Å; P117-Q120 PolarHBondContact O-N 2.9Å; C118-Q120 VanDerWaalsContact C-N 3.28Å; C118-Q120 PolarHBondContact O-N 2.75Å; Q120-K123 PolarHBondContact O-N 2.85Å; Q120-K124 WeakPolarHBondContact O-CG 3.48Å; Q120-K124 PolarHBondContact O-N 3.21Å
121D93.2Very high86.6Confident109 Ų10959.9 Ų59.958%0.58329%0.288SS*.Hα-helixtrans-65.3-48.5177.5-169.658.5000112P117 C118 K123 K124 K125P117-D121 WeakPolarHBondContact O-CB 3.4Å; P117-D121 PolarHBondContact O-N 3.13Å; C118-D121 PolarHBondContact O-N 3.17Å; D121-K123 VanDerWaalsContact C-N 3.31Å; D121-K123 PolarHBondContact O-N 2.83Å; D121-K124 PolarHBondContact O-N 3.16Å; D121-K125 WeakPolarHBondContact O-CB 3.42Å; D121-K125 PolarHBondContact O-N 2.99Å
122I93.7Very high85Confident4 Ų465.4 Ų65.42%0.02131%0.306CS..Hα-helixtrans-61.2-42.7175.8-59.4166.6000109.9F87 E90 L91 E94 C118 K124 K125 H126F87-I122 HydrophobicContact CD2-CB 4.46Å; F87-I122 HydrophobicContact CD2-CG2 3.77Å; F87-I122 HydrophobicContact CE2-CB 4.31Å; F87-I122 HydrophobicContact CE2-CG2 4.05Å; E90-I122 HydrophobicContact CB-CG2 3.9Å; E90-I122 HydrophobicContact CG-CD1 4.39Å; E90-I122 HydrophobicContact CG-CG1 4.38Å; E90-I122 HydrophobicContact CG-CG2 3.92Å; L91-I122 HydrophobicContact CD1-CD1 4.23Å; E94-I122 HydrophobicContact CB-CD1 4.09Å; E94-I122 HydrophobicContact CG-CD1 3.9Å; C118-I122 VanDerWaalsContact O-CG1 3.26Å; C118-I122 WeakPolarHBondContact O-CG1 3.38Å; C118-I122 PolarHBondContact O-N 2.94Å; I122-K124 PolarHBondContact O-N 3.36Å; I122-K125 WeakPolarHBondContact O-CB 3.36Å; I122-K125 PolarHBondContact O-N 3.26Å; I122-H126 PolarHBondContact O-CD2 2.9Å; I122-H126 VanDerWaalsContact O-CD2 3.28Å; I122-H126 PolarHBondContact O-N 2.81Å
123K92Very high83.3Confident10 Ų1071.4 Ų71.44%0.04333%0.329CS..Hα-helixtrans-58.1-50.2177.2-170.9-160.8-65.2-1660111.1I2 E21 F87 I119 Q120 D121 K125 H126 I127I2-K123 HydrophobicContact CB-CD 4.22Å; I2-K123 HydrophobicContact CB-CG 4.29Å; I2-K123 HydrophobicContact CD1-CG 4.41Å; I2-K123 PolarHBondContact O-NZ 3.43Å; E21-K123 IonicContact OE2-NZ 3.62Å; E21-K123 PolarHBondContact OE2-NZ 3.28Å; F87-K123 HydrophobicContact CD2-CB 4.4Å; F87-K123 HydrophobicContact CE2-CB 3.82Å; F87-K123 HydrophobicContact CE2-CG 4.44Å; F87-K123 HydrophobicContact CZ-CB 4.5Å; I119-K123 VanDerWaalsContact O-CB 3.27Å; I119-K123 WeakPolarHBondContact O-CB 3.22Å; I119-K123 PolarHBondContact O-N 2.81Å; Q120-K123 PolarHBondContact O-N 2.85Å; D121-K123 VanDerWaalsContact C-N 3.31Å; D121-K123 PolarHBondContact O-N 2.83Å; K123-K125 VanDerWaalsContact C-N 3.33Å; K123-K125 PolarHBondContact O-N 3.02Å; K123-H126 PolarHBondContact O-N 2.75Å; K123-I127 HydrophobicContact CG-CG1 4.14Å; K123-I127 WeakPolarHBondContact O-CB 3.36Å; K123-I127 WeakPolarHBondContact O-CG1 3.41Å; K123-I127 PolarHBondContact O-N 3.49Å
124K89.5Confident81.7Confident118 Ų11878.9 Ų78.951%0.51336%0.363SS..Hα-helixtrans-58.4-45.8177.6-75.9173.2-177.8177.40111.2Q120 D121 I122 H126 I127 D128Q120-K124 WeakPolarHBondContact O-CG 3.48Å; Q120-K124 PolarHBondContact O-N 3.21Å; D121-K124 PolarHBondContact O-N 3.16Å; I122-K124 PolarHBondContact O-N 3.36Å; K124-H126 VanDerWaalsContact C-N 3.31Å; K124-H126 PolarHBondContact O-N 2.91Å; K124-I127 PolarHBondContact O-N 3.44Å; K124-D128 WeakPolarHBondContact O-CA 3.48Å; K124-D128 WeakPolarHBondContact O-CB 3.31Å; K124-D128 PolarHBondContact O-N 2.83Å
125K87.7Confident79.8Confident112 Ų11275.4 Ų75.449%0.48735%0.349SS..Hα-helixtrans-57.1-41.7176.7-177.4-177171.1-169.20112.4E90 D121 I122 K123 Y129E90-K125 IonicContact OE1-NZ 2.88Å; E90-K125 PolarHBondContact OE1-NZ 2.98Å; E90-K125 IonicContact OE2-NZ 3.81Å; E90-K125 PolarHBondContact OE2-NZ 3.08Å; D121-K125 WeakPolarHBondContact O-CB 3.42Å; D121-K125 PolarHBondContact O-N 2.99Å; I122-K125 WeakPolarHBondContact O-CB 3.36Å; I122-K125 PolarHBondContact O-N 3.26Å; K123-K125 VanDerWaalsContact C-N 3.33Å; K123-K125 PolarHBondContact O-N 3.02Å; K125-Y129 WeakPolarHBondContact O-CB 3.41Å
126H83.9Confident77.8Confident38 Ų3879.9 Ų79.918%0.17638%0.38CS..Hα-helixtrans-82.4-34.9-178.2-80.3-83.7000114F87 E90 I122 K123 K124F87-H126 HydrophobicContact CB-CB 4.24Å; E90-H126 IonicContact OE2-CD2 3.34Å; E90-H126 IonicContact OE2-CE1 2.69Å; E90-H126 IonicContact OE2-NE2 2.63Å; E90-H126 PolarHBondContact OE2-NE2 3.34Å; I122-H126 PolarHBondContact O-CD2 2.9Å; I122-H126 VanDerWaalsContact O-CD2 3.28Å; I122-H126 PolarHBondContact O-N 2.81Å; K123-H126 PolarHBondContact O-N 2.75Å; K124-H126 VanDerWaalsContact C-N 3.31Å; K124-H126 PolarHBondContact O-N 2.91Å
127I81.8Confident75.7Confident22 Ų2286.2 Ų86.211%0.11341%0.411CS..Hα-helixtrans-86.9-48.4-176.7-59.5-60000111.7I2 L79 V83 K123 K124 R130 N131I2-I127 HydrophobicContact CD1-CD1 3.92Å; I2-I127 HydrophobicContact CD1-CG1 4.21Å; I2-I127 HydrophobicContact CG1-CD1 4.02Å; I2-I127 HydrophobicContact CG1-CG1 4.42Å; L79-I127 HydrophobicContact CD1-CD1 3.74Å; L79-I127 HydrophobicContact CD2-CD1 4.27Å; V83-I127 HydrophobicContact CG1-CD1 4.19Å; K123-I127 HydrophobicContact CG-CG1 4.14Å; K123-I127 WeakPolarHBondContact O-CB 3.36Å; K123-I127 WeakPolarHBondContact O-CG1 3.41Å; K123-I127 PolarHBondContact O-N 3.49Å; K124-I127 PolarHBondContact O-N 3.44Å; I127-R130 PolarHBondContact O-N 3.24Å; I127-N131 VanDerWaalsContact O-CG 3.29Å; I127-N131 PolarHBondContact O-N 3.33Å; I127-N131 VanDerWaalsContact O-N 3.13Å; I127-N131 PolarHBondContact O-ND2 3.33Å
128D74Confident73.8Confident71 Ų7184.4 Ų84.438%0.3840%0.398SS..Hα-helixtrans-72.7-37.5-177-65.5-23.9000111.8K124 R130 N131 R132K124-D128 WeakPolarHBondContact O-CA 3.48Å; K124-D128 WeakPolarHBondContact O-CB 3.31Å; K124-D128 PolarHBondContact O-N 2.83Å; D128-R130 VanDerWaalsContact C-N 3.28Å; D128-R130 PolarHBondContact O-N 3.19Å; D128-N131 PolarHBondContact O-N 3.35Å; D128-R132 WeakPolarHBondContact O-CB 3.17Å; D128-R132 WeakPolarHBondContact O-CG 2.93Å; D128-R132 PolarHBondContact O-N 3.47Å
129Y64.2Low71.6Confident131 Ų13190.1 Ų90.151%0.51442%0.422SS..Hα-helixtrans-61.9-39.4178.1-170.3-108.7000111.3K125 R132 Y133 L135K125-Y129 WeakPolarHBondContact O-CB 3.41Å; Y129-R132 PolarHBondContact O-N 3.23Å; Y129-Y133 AromaticContact CD2-CD2 3.52Å; Y129-Y133 HydrophobicContact CD2-CD2 3.52Å; Y129-Y133 AromaticContact CD2-CE2 3.77Å; Y129-Y133 HydrophobicContact CD2-CE2 3.77Å; Y129-Y133 AromaticContact CE2-CD2 3.51Å; Y129-Y133 HydrophobicContact CE2-CD2 3.51Å; Y129-Y133 AromaticContact CE2-CE2 3.68Å; Y129-Y133 HydrophobicContact CE2-CE2 3.68Å; Y129-Y133 HydrophobicContact CE2-CG 4.37Å; Y129-Y133 HydrophobicContact CG-CD2 4.12Å; Y129-Y133 WeakPolarHBondContact O-CB 3.07Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.17Å; Y129-Y133 PolarHBondContact O-N 2.96Å; Y129-L135 HydrophobicContact CD1-CD1 3.85Å; Y129-L135 HydrophobicContact CE1-CD1 3.03Å; Y129-L135 HydrophobicContact CE2-CD1 4.42Å; Y129-L135 WeakPolarHBondContact OH-CD1 3.48Å
130R65.4Low69.5Low103 Ų10394.9 Ų94.939%0.38946%0.456SS..Hα-helixtrans-66-41.7173.1-178.6-178.5176.4-130.8-3.6112.6I127 D128 R132 Y133I127-R130 PolarHBondContact O-N 3.24Å; D128-R130 VanDerWaalsContact C-N 3.28Å; D128-R130 PolarHBondContact O-N 3.19Å; R130-R132 PolarHBondContact O-N 2.82Å; R130-Y133 CarbonylContact O-C 3.58Å; R130-Y133 VanDerWaalsContact O-O 3.04Å
131N65.1Low67.7Low116 Ų11696.4 Ų96.462%0.6247%0.465SS*.Hα-helixtrans-63.9-34.1178.6-70.9-20.5000111.5I127 D128I127-N131 VanDerWaalsContact O-CG 3.29Å; I127-N131 PolarHBondContact O-N 3.33Å; I127-N131 VanDerWaalsContact O-N 3.13Å; I127-N131 PolarHBondContact O-ND2 3.33Å; D128-N131 PolarHBondContact O-N 3.35Å
132R58.6Low66Low199 Ų19994.3 Ų94.375%0.75145%0.453SS*.Hα-helixtrans-83.6-37.7179.2-70-176.3-173-143.63.9113.6D128 Y129 R130D128-R132 WeakPolarHBondContact O-CB 3.17Å; D128-R132 WeakPolarHBondContact O-CG 2.93Å; D128-R132 PolarHBondContact O-N 3.47Å; Y129-R132 PolarHBondContact O-N 3.23Å; R130-R132 PolarHBondContact O-N 2.82Å
133Y57.7Low64.5Low127 Ų127101 Ų10150%0.49848%0.484SS..  trans-125.6105.2-176.4-53.3-84.2000107Y129 R130 L135Y129-Y133 AromaticContact CD2-CD2 3.52Å; Y129-Y133 HydrophobicContact CD2-CD2 3.52Å; Y129-Y133 AromaticContact CD2-CE2 3.77Å; Y129-Y133 HydrophobicContact CD2-CE2 3.77Å; Y129-Y133 AromaticContact CE2-CD2 3.51Å; Y129-Y133 HydrophobicContact CE2-CD2 3.51Å; Y129-Y133 AromaticContact CE2-CE2 3.68Å; Y129-Y133 HydrophobicContact CE2-CE2 3.68Å; Y129-Y133 HydrophobicContact CE2-CG 4.37Å; Y129-Y133 HydrophobicContact CG-CD2 4.12Å; Y129-Y133 WeakPolarHBondContact O-CB 3.07Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.17Å; Y129-Y133 PolarHBondContact O-N 2.96Å; R130-Y133 CarbonylContact O-C 3.58Å; R130-Y133 VanDerWaalsContact O-O 3.04Å; Y133-L135 VanDerWaalsContact CB-CD1 3.45Å; Y133-L135 HydrophobicContact CG-CD1 4.23Å; Y133-L135 PolarHBondContact O-N 3.5Å
134Q57.8Low63.5Low194 Ų194104 Ų10491%0.90750%0.501SS*.  trans-65.559.9170-78.9148.8-49.800110.3S136Q134-S136 PolarHBondContact O-N 2.74Å
135L50.6Low62.8Low67 Ų6799.8 Ų99.835%0.35149%0.485SS..  trans-74.7113.5-171.7-78.9160.3000109.2Y129 Y133 M137Y129-L135 HydrophobicContact CD1-CD1 3.85Å; Y129-L135 HydrophobicContact CE1-CD1 3.03Å; Y129-L135 HydrophobicContact CE2-CD1 4.42Å; Y129-L135 WeakPolarHBondContact OH-CD1 3.48Å; Y133-L135 VanDerWaalsContact CB-CD1 3.45Å; Y133-L135 HydrophobicContact CG-CD1 4.23Å; Y133-L135 PolarHBondContact O-N 3.5Å; L135-M137 HydrophobicContact CB-CB 4.2Å; L135-M137 HydrophobicContact CD2-CG 4.16Å; L135-M137 PolarHBondContact O-N 3.25Å
136S51.8Low62.2Low93 Ų93102.3 Ų102.365%0.6550%0.499SS*.THydrogen-bonded Turntrans-57.6-2.5162.649.80000114Q134 V138 H139Q134-S136 PolarHBondContact O-N 2.74Å; S136-V138 VanDerWaalsContact C-N 3.27Å; S136-V138 PolarHBondContact O-N 2.78Å; S136-H139 PolarHBondContact O-ND1 2.66Å
137M47.6Very low62.2Low148 Ų148109.2 Ų109.273%0.72952%0.523SS*.THydrogen-bonded Turntrans-70.4-11.5-176.4-78.2-103-66.500115L135 H139L135-M137 HydrophobicContact CB-CB 4.2Å; L135-M137 HydrophobicContact CD2-CG 4.16Å; L135-M137 PolarHBondContact O-N 3.25Å; M137-H139 PolarHBondContact O-N 3.48Å
138V52.1Low62.5Low54 Ų54109.1 Ų109.133%0.32752%0.523SS..THydrogen-bonded Turntrans-79.849.2168.2-162.50000109.7S82 S136 L142S82-V138 VanDerWaalsContact CB-CG1 3.48Å; S82-V138 WeakPolarHBondContact OG-CG1 3.25Å; S136-V138 VanDerWaalsContact C-N 3.27Å; S136-V138 PolarHBondContact O-N 2.78Å; V138-L142 WeakPolarHBondContact O-CD1 3.21Å; V138-L142 WeakPolarHBondContact O-CD2 3.4Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å
139H48.4Very low63.3Low141 Ų141110.2 Ų110.265%0.65353%0.527SS*.THydrogen-bonded Turntrans-95.8-31.8175.9-110.882.5000112S136 M137S136-H139 PolarHBondContact O-ND1 2.66Å; M137-H139 PolarHBondContact O-N 3.48Å
140S51.7Low64.7Low101 Ų101108 Ų10871%0.70653%0.527SS*.THydrogen-bonded Turntrans-66.8-42.9-178.8170.70000112.2L142S140-L142 VanDerWaalsContact C-N 3.29Å; S140-L142 PolarHBondContact O-N 2.84Å
141D55.1Low66Low67 Ų67105.6 Ų105.636%0.35852%0.52SS..THydrogen-bonded Turntrans-87.92.9-170.6-54.9-20.9000113.3Q143 D144 V145D141-Q143 PolarHBondContact O-N 3.15Å; D141-D144 PolarHBondContact O-N 3.12Å; D141-V145 VanDerWaalsContact O-CG2 3.26Å; D141-V145 WeakPolarHBondContact O-CG2 3.2Å; D141-V145 PolarHBondContact O-N 3.3Å
142L57.6Low67.3Low64 Ų64103.3 Ų103.334%0.33551%0.507SS..Hα-helixtrans-66.2-35.6-176.5-66.6176.7000112.8V138 S140 D144 V145 Q146V138-L142 WeakPolarHBondContact O-CD1 3.21Å; V138-L142 WeakPolarHBondContact O-CD2 3.4Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; S140-L142 VanDerWaalsContact C-N 3.29Å; S140-L142 PolarHBondContact O-N 2.84Å; L142-D144 VanDerWaalsContact C-N 3.32Å; L142-D144 PolarHBondContact O-N 2.69Å; L142-V145 PolarHBondContact O-N 3.3Å; L142-Q146 WeakPolarHBondContact O-CG 3.36Å; L142-Q146 PolarHBondContact O-N 2.8Å; L142-Q146 VanDerWaalsContact O-N 3.16Å
143Q62.5Low68.9Low144 Ų14493.8 Ų93.867%0.67347%0.472SS*.Hα-helixtrans-66.3-36.5-179.5-71.7-168.9-11.500112.2D141 V145D141-Q143 PolarHBondContact O-N 3.15Å; Q143-V145 VanDerWaalsContact C-N 3.33Å
144D71.1Confident70.4Confident75 Ų7590.6 Ų90.640%0.40146%0.461SS..Hα-helixtrans-71-33.8177.3-77.7-4.2000111.6D141 L142 R147D141-D144 PolarHBondContact O-N 3.12Å; L142-D144 VanDerWaalsContact C-N 3.32Å; L142-D144 PolarHBondContact O-N 2.69Å; D144-R147 PolarHBondContact O-N 3.29Å; D144-R147 IonicContact OD1-CZ 3.95Å; D144-R147 IonicContact OD1-NH2 3.69Å; D144-R147 PolarHBondContact OD1-NH2 2.8Å
145V75.3Confident71.8Confident28 Ų2885.7 Ų85.717%0.1744%0.441CS..Hα-helixtrans-69.4-34.7179.1172.70000112.5T81 D141 L142 Q143 R147 I148T81-V145 HydrophobicContact CG2-CG1 3.71Å; D141-V145 VanDerWaalsContact O-CG2 3.26Å; D141-V145 WeakPolarHBondContact O-CG2 3.2Å; D141-V145 PolarHBondContact O-N 3.3Å; L142-V145 PolarHBondContact O-N 3.3Å; Q143-V145 VanDerWaalsContact C-N 3.33Å; V145-R147 PolarHBondContact O-N 2.65Å; V145-I148 HydrophobicContact CB-CD1 4.42Å; V145-I148 HydrophobicContact CG2-CD1 4.34Å; V145-I148 WeakPolarHBondContact O-CB 3.11Å; V145-I148 WeakPolarHBondContact O-CG1 3.39Å; V145-I148 PolarHBondContact O-N 3.16Å; V145-I148 VanDerWaalsContact O-N 3.12Å
146Q74.1Confident73.6Confident165 Ų16583.8 Ų83.877%0.77143%0.432SS*.Hα-helixtrans-63-23.2177.6-74.2178.1-9.200113.6L142 I148L142-Q146 WeakPolarHBondContact O-CG 3.36Å; L142-Q146 PolarHBondContact O-N 2.8Å; L142-Q146 VanDerWaalsContact O-N 3.16Å; Q146-I148 VanDerWaalsContact C-N 3.34Å
147R83.9Confident75.2Confident184 Ų18479.7 Ų79.769%0.69440%0.403SS*.THydrogen-bonded Turntrans-87.4-5.5179.6-66.4-175.6-84.3-172-3.2113.2D144 V145 M149D144-R147 PolarHBondContact O-N 3.29Å; D144-R147 IonicContact OD1-CZ 3.95Å; D144-R147 IonicContact OD1-NH2 3.69Å; D144-R147 PolarHBondContact OD1-NH2 2.8Å; V145-R147 PolarHBondContact O-N 2.65Å; R147-M149 PolarHBondContact O-N 2.59Å
148I88.6Confident76.7Confident19 Ų1976.6 Ų76.610%0.09739%0.386CS..  trans-74.8122.3-177.7-59.9-180000108.9K51 S53 T81 F85 V145 Q146K51-I148 HydrophobicContact CB-CD1 4.39Å; K51-I148 HydrophobicContact CB-CG1 4.19Å; K51-I148 HydrophobicContact CD-CD1 4.28Å; S53-I148 WeakPolarHBondContact OG-CG2 3.41Å; T81-I148 HydrophobicContact CG2-CD1 4.23Å; F85-I148 HydrophobicContact CD1-CD1 3.99Å; F85-I148 HydrophobicContact CD2-CD1 3.38Å; F85-I148 HydrophobicContact CE1-CD1 3.98Å; F85-I148 HydrophobicContact CE2-CD1 3.38Å; F85-I148 HydrophobicContact CE2-CG1 4.47Å; F85-I148 HydrophobicContact CE2-CG2 3.83Å; F85-I148 HydrophobicContact CG-CD1 3.69Å; F85-I148 HydrophobicContact CZ-CD1 3.69Å; F85-I148 HydrophobicContact CZ-CG2 3.77Å; V145-I148 HydrophobicContact CB-CD1 4.42Å; V145-I148 HydrophobicContact CG2-CD1 4.34Å; V145-I148 WeakPolarHBondContact O-CB 3.11Å; V145-I148 WeakPolarHBondContact O-CG1 3.39Å; V145-I148 PolarHBondContact O-N 3.16Å; V145-I148 VanDerWaalsContact O-N 3.12Å; Q146-I148 VanDerWaalsContact C-N 3.34Å
149M89.9Confident77.5Confident95 Ų9582.3 Ų82.347%0.46840%0.402SS..EExtended strand (participates in β ladder)trans-66.9137.2176.2-63.5-17872.400110.1P49 C52 S53 R147P49-M149 HydrophobicContact CG-SD 4.39Å; C52-M149 PolarHBondContact SG-O 2.87Å; S53-M149 PolarHBondContact N-O 2.99Å; R147-M149 PolarHBondContact O-N 2.59Å
150V93.1Very high77.8Confident84 Ų8479.1 Ų79.151%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-111.3125.9170.1-173.30000107.7S53 E55S53-V150 CarbonylContact O-C 3.59Å; S53-V150 VanDerWaalsContact O-CA 3.3Å; S53-V150 WeakPolarHBondContact O-CA 3.26Å; E55-V150 HydrophobicContact CG-CG1 3.95Å
151Q92.6Very high77.8Confident53 Ų5380.9 Ų80.925%0.24840%0.404CS..EExtended strand (participates in β ladder)trans-135.7166.5179.3-59.8179.7-35.900110.1S53 L54 E55 V156S53-Q151 PolarHBondContact O-N 3.49Å; L54-Q151 CarbonylContact C-O 3.58Å; L54-Q151 VanDerWaalsContact CA-O 3.22Å; L54-Q151 WeakPolarHBondContact CA-O 3.45Å; L54-Q151 HydrophobicContact CD2-CB 3.8Å; E55-Q151 PolarHBondContact N-O 3.47Å; Q151-V156 HydrophobicContact CB-CG2 4.34Å
152N92.7Very high77.6Confident67 Ų6782 Ų8236%0.35842%0.423SS..EExtended strand (participates in β ladder)trans-81.2134.4168.6-169-39.8000109.4E154 D155 V156N152-E154 PolarHBondContact O-N 3.15Å; N152-E154 WeakPolarHBondContact OD1-CB 3.31Å; N152-E154 PolarHBondContact OD1-N 3.29Å; N152-D155 HydrophobicContact CB-CB 4.34Å; N152-D155 WeakPolarHBondContact CB-OD2 3.47Å; N152-D155 PolarHBondContact O-N 3.43Å; N152-V156 PolarHBondContact O-N 2.72Å
153I92.7Very high77.3Confident0 Ų083 Ų830%043%0.429CS..Hα-helixtrans-61.9-33.9178.2-165.8159.8000112.5Q36 L54 E55 F61 D155 V156 I157Q36-I153 HydrophobicContact CB-CD1 3.79Å; L54-I153 HydrophobicContact CB-CB 3.98Å; L54-I153 HydrophobicContact CB-CD1 4.5Å; L54-I153 HydrophobicContact CB-CG1 4.31Å; L54-I153 HydrophobicContact CD1-CG1 4.3Å; E55-I153 WeakPolarHBondContact O-CB 3.3Å; E55-I153 VanDerWaalsContact O-CG2 3.31Å; E55-I153 WeakPolarHBondContact O-CG2 3.41Å; E55-I153 PolarHBondContact O-N 3.42Å; F61-I153 HydrophobicContact CD2-CD1 3.3Å; F61-I153 HydrophobicContact CE2-CD1 3.35Å; F61-I153 HydrophobicContact CG-CD1 4.2Å; F61-I153 HydrophobicContact CZ-CD1 4.29Å; I153-D155 VanDerWaalsContact C-N 3.31Å; I153-D155 PolarHBondContact O-N 3.19Å; I153-V156 PolarHBondContact O-N 2.95Å; I153-I157 HydrophobicContact CD1-CD1 4.06Å; I153-I157 HydrophobicContact CG1-CD1 3.56Å; I153-I157 HydrophobicContact CG1-CG1 4.16Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 2.97Å
154E89.1Confident76.8Confident59 Ų5982 Ų8228%0.27643%0.432SS..Hα-helixtrans-65.1-39.4179.6-61.4-57.8165.200110.1Q36 N152 V156 I157 H158Q36-E154 PolarHBondContact NE2-OE1 3.16Å; N152-E154 PolarHBondContact O-N 3.15Å; N152-E154 WeakPolarHBondContact OD1-CB 3.31Å; N152-E154 PolarHBondContact OD1-N 3.29Å; E154-V156 VanDerWaalsContact C-N 3.27Å; E154-V156 PolarHBondContact O-N 3.25Å; E154-I157 PolarHBondContact O-N 3.1Å; E154-H158 WeakPolarHBondContact O-CB 3.33Å; E154-H158 PolarHBondContact O-CD2 2.87Å; E154-H158 VanDerWaalsContact O-CD2 3.24Å; E154-H158 PolarHBondContact O-N 3.12Å; E154-H158 IonicContact OE2-CD2 3.31Å; E154-H158 PolarHBondContact OE2-CD2 2.8Å; E154-H158 VanDerWaalsContact OE2-CD2 3.31Å; E154-H158 IonicContact OE2-NE2 3.25Å; E154-H158 PolarHBondContact OE2-NE2 3.22Å
155D88.3Confident76Confident92 Ų9283 Ų8349%0.49244%0.437SS..Hα-helixtrans-64.3-33.7176.3-64.3-21.1000112N152 I153 R159N152-D155 HydrophobicContact CB-CB 4.34Å; N152-D155 WeakPolarHBondContact CB-OD2 3.47Å; N152-D155 PolarHBondContact O-N 3.43Å; I153-D155 VanDerWaalsContact C-N 3.31Å; I153-D155 PolarHBondContact O-N 3.19Å; D155-R159 WeakPolarHBondContact O-CD 3.46Å; D155-R159 WeakPolarHBondContact O-CG 3.46Å; D155-R159 PolarHBondContact O-N 2.63Å; D155-R159 PolarHBondContact O-NE 2.99Å
156V87.1Confident74.7Confident26 Ų2689.7 Ų89.716%0.15847%0.47CS..Hα-helixtrans-75.1-40.6178.6177.50000111.2L40 L54 Q151 N152 I153 E154L40-V156 HydrophobicContact CD1-CG1 3.86Å; L54-V156 HydrophobicContact CD2-CG2 3.69Å; Q151-V156 HydrophobicContact CB-CG2 4.34Å; N152-V156 PolarHBondContact O-N 2.72Å; I153-V156 PolarHBondContact O-N 2.95Å; E154-V156 VanDerWaalsContact C-N 3.27Å; E154-V156 PolarHBondContact O-N 3.25Å
157I86.6Confident73.6Confident7 Ų789 Ų894%0.03647%0.472CS..Hα-helixtrans-77.1-41.8-177.2-68171.9000111.7Q36 M39 I153 E154 R159 L163Q36-I157 HydrophobicContact CB-CD1 3.96Å; Q36-I157 HydrophobicContact CG-CD1 4.2Å; Q36-I157 WeakPolarHBondContact O-CD1 3.34Å; M39-I157 HydrophobicContact CB-CD1 3.84Å; M39-I157 HydrophobicContact CB-CG1 4Å; M39-I157 HydrophobicContact CB-CG2 3.74Å; M39-I157 HydrophobicContact CE-CD1 4.1Å; M39-I157 HydrophobicContact CE-CG2 4.04Å; M39-I157 HydrophobicContact CG-CG2 4.29Å; M39-I157 HydrophobicContact SD-CG2 3.73Å; I153-I157 HydrophobicContact CD1-CD1 4.06Å; I153-I157 HydrophobicContact CG1-CD1 3.56Å; I153-I157 HydrophobicContact CG1-CG1 4.16Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 2.97Å; E154-I157 PolarHBondContact O-N 3.1Å; I157-R159 VanDerWaalsContact C-N 3.34Å; I157-R159 PolarHBondContact O-N 2.99Å; I157-L163 HydrophobicContact CG2-CD2 4.41Å
158H78Confident72.3Confident83 Ų8382.6 Ų82.638%0.38445%0.452SS..Hα-helixtrans-81.7-7.3-176.5-75.2-73.4000114.6E154 G160 L163E154-H158 WeakPolarHBondContact O-CB 3.33Å; E154-H158 PolarHBondContact O-CD2 2.87Å; E154-H158 VanDerWaalsContact O-CD2 3.24Å; E154-H158 PolarHBondContact O-N 3.12Å; E154-H158 IonicContact OE2-CD2 3.31Å; E154-H158 PolarHBondContact OE2-CD2 2.8Å; E154-H158 VanDerWaalsContact OE2-CD2 3.31Å; E154-H158 IonicContact OE2-NE2 3.25Å; E154-H158 PolarHBondContact OE2-NE2 3.22Å; H158-G160 VanDerWaalsContact C-N 3.27Å; H158-G160 PolarHBondContact O-N 3.31Å; H158-L163 VanDerWaalsContact CE1-CD1 3.46Å; H158-L163 WeakPolarHBondContact CE1-CD1 3.48Å; H158-L163 VanDerWaalsContact CE1-CG 3.46Å; H158-L163 WeakPolarHBondContact CE1-CG 3.46Å
159R68.7Low70.8Confident175 Ų17592.1 Ų92.166%0.6649%0.486SS*.SBendtrans-59.794.6168.3-87.5166.4-166.7-153.14.3109.4D155 I157D155-R159 WeakPolarHBondContact O-CD 3.46Å; D155-R159 WeakPolarHBondContact O-CG 3.46Å; D155-R159 PolarHBondContact O-N 2.63Å; D155-R159 PolarHBondContact O-NE 2.99Å; I157-R159 VanDerWaalsContact C-N 3.34Å; I157-R159 PolarHBondContact O-N 2.99Å
160G55.6Low69.4Low74 Ų7490.8 Ų90.876%0.76349%0.491SS*.SBendtrans107.2-13.416600000118.2H158H158-G160 VanDerWaalsContact C-N 3.27Å; H158-G160 PolarHBondContact O-N 3.31Å
161E52Low68Low137 Ų13788.6 Ų88.664%0.6448%0.482SS*.  trans-150.9147.7-172.6-70.2175.9149.300115.3K43K43-E161 IonicContact NZ-OE2 3.9Å; K43-E161 PolarHBondContact NZ-OE2 3.43Å
162A50.3Low66.6Low91 Ų9188 Ų8875%0.75248%0.48SS*.  trans-82.5134.8174.500000111.6T164A162-T164 PolarHBondContact O-N 3.44Å
163L52Low65.1Low86 Ų8690.6 Ų90.645%0.4549%0.493SS..  trans-53.793-172.2-67.3165.1000114.4M39 I157 H158 I165M39-L163 HydrophobicContact CE-CD2 3.95Å; M39-L163 HydrophobicContact SD-CD2 3.52Å; M39-L163 VanDerWaalsContact SD-CD2 3.52Å; I157-L163 HydrophobicContact CG2-CD2 4.41Å; H158-L163 VanDerWaalsContact CE1-CD1 3.46Å; H158-L163 WeakPolarHBondContact CE1-CD1 3.48Å; H158-L163 VanDerWaalsContact CE1-CG 3.46Å; H158-L163 WeakPolarHBondContact CE1-CG 3.46Å; L163-I165 VanDerWaalsContact C-N 3.27Å; L163-I165 HydrophobicContact CB-CD1 4.2Å; L163-I165 HydrophobicContact CB-CG1 4.15Å; L163-I165 HydrophobicContact CD1-CD1 4.42Å; L163-I165 HydrophobicContact CD2-CD1 4.09Å; L163-I165 HydrophobicContact CD2-CG1 4.29Å; L163-I165 HydrophobicContact CG-CD1 4.47Å; L163-I165 PolarHBondContact O-N 3.35Å; L163-I165 VanDerWaalsContact O-N 3.13Å
164T51.2Low64Low123 Ų12393.2 Ų93.276%0.75552%0.515SS*.  trans-84.471.5162.745.80000110.1A162 L166A162-T164 PolarHBondContact O-N 3.44Å; T164-L166 VanDerWaalsContact C-N 3.3Å; T164-L166 PolarHBondContact O-N 2.95Å; T164-L166 VanDerWaalsContact O-N 3.12Å
165I53.3Low63Low95 Ų9591.3 Ų91.349%0.48751%0.507SS..  trans-83.873.9172.8-53164.8000108.8M39 L163M39-I165 HydrophobicContact CE-CD1 4.45Å; M39-I165 HydrophobicContact SD-CG1 4.17Å; L163-I165 VanDerWaalsContact C-N 3.27Å; L163-I165 HydrophobicContact CB-CD1 4.2Å; L163-I165 HydrophobicContact CB-CG1 4.15Å; L163-I165 HydrophobicContact CD1-CD1 4.42Å; L163-I165 HydrophobicContact CD2-CD1 4.09Å; L163-I165 HydrophobicContact CD2-CG1 4.29Å; L163-I165 HydrophobicContact CG-CD1 4.47Å; L163-I165 PolarHBondContact O-N 3.35Å; L163-I165 VanDerWaalsContact O-N 3.13Å
166L48Very low62Low168 Ų16889.6 Ų89.688%0.8850%0.497SS*.  trans-146.587.3173.9-93153.8000108.6T164T164-L166 VanDerWaalsContact C-N 3.3Å; T164-L166 PolarHBondContact O-N 2.95Å; T164-L166 VanDerWaalsContact O-N 3.12Å
167D52.8Low61.1Low150 Ų15091.8 Ų91.880%0.80251%0.513SS*.SBendtrans178.5-8.5137.4-132.41000113.8R169D167-R169 VanDerWaalsContact C-N 3.33Å; D167-R169 PolarHBondContact O-N 3.12Å; D167-R169 VanDerWaalsContact O-N 3.13Å
168D56.1Low60.5Low51 Ų5197 Ų9727%0.27354%0.538SS..THydrogen-bonded Turntrans-79.8-2.3-159.5-99.1-44.9000117.6K38 R42K38-D168 HydrophobicContact CD-CB 4.02Å; K38-D168 WeakPolarHBondContact CD-OD1 3.15Å; K38-D168 WeakPolarHBondContact CD-OD2 3.44Å; K38-D168 PolarHBondContact NZ-O 3.37Å; K38-D168 IonicContact NZ-OD1 2.69Å; K38-D168 PolarHBondContact NZ-OD1 2.85Å; K38-D168 IonicContact NZ-OD2 3.84Å; R42-D168 IonicContact NH2-OD2 3.77Å
169R55.9Low60.1Low218 Ų21894.8 Ų94.882%0.82353%0.527SS*.Hα-helixtrans-68.4-35.2-177.7-68.7-175.4179.9179.30.9112.1D167 L173D167-R169 VanDerWaalsContact C-N 3.33Å; D167-R169 PolarHBondContact O-N 3.12Å; D167-R169 VanDerWaalsContact O-N 3.13Å; R169-L173 WeakPolarHBondContact O-CB 3.38Å; R169-L173 WeakPolarHBondContact O-CD1 3.12Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.43Å; R169-L173 PolarHBondContact O-N 3.08Å
170A62Low60.2Low68 Ų6891.6 Ų91.656%0.56252%0.518SS*.Hα-helixtrans-66.3-42.6-177.200000112.6N172 L173 A174A170-N172 PolarHBondContact O-N 3.11Å; A170-L173 PolarHBondContact O-N 2.81Å; A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 2.88Å
171A63.8Low61.2Low38 Ų3895.3 Ų95.331%0.31451%0.513SS..Hα-helixtrans-64.7-42.7-177.800000112.2A174 V175A171-A174 PolarHBondContact O-N 3.12Å; A171-V175 WeakPolarHBondContact O-CG2 3.22Å; A171-V175 PolarHBondContact O-N 3.31Å; A171-V175 VanDerWaalsContact O-N 3.13Å
172N62.5Low62.2Low39 Ų3993.8 Ų93.821%0.20950%0.504CS..Hα-helixtrans-68-42.5178.6-71.7-13.2000111.6T34 K38 Y110 A170 A174 V175 M176T34-N172 WeakPolarHBondContact CG2-ND2 3.27Å; K38-N172 PolarHBondContact NZ-OD1 3.27Å; Y110-N172 PolarHBondContact OH-OD1 3.38Å; A170-N172 PolarHBondContact O-N 3.11Å; N172-A174 VanDerWaalsContact C-N 3.33Å; N172-A174 PolarHBondContact O-N 3.02Å; N172-V175 PolarHBondContact O-N 3.39Å; N172-M176 WeakPolarHBondContact O-CB 3.42Å; N172-M176 VanDerWaalsContact O-CG 3.31Å; N172-M176 WeakPolarHBondContact O-CG 3.4Å; N172-M176 PolarHBondContact O-N 2.81Å
173L61.9Low63.4Low123 Ų12393.1 Ų93.164%0.64449%0.486SS*.Hα-helixtrans-62.3-41.9177.3-74168.7000111.5R169 A170 V175 S177R169-L173 WeakPolarHBondContact O-CB 3.38Å; R169-L173 WeakPolarHBondContact O-CD1 3.12Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.43Å; R169-L173 PolarHBondContact O-N 3.08Å; A170-L173 PolarHBondContact O-N 2.81Å; L173-V175 PolarHBondContact O-N 2.83Å; L173-S177 WeakPolarHBondContact O-CB 3.2Å; L173-S177 PolarHBondContact O-N 3.3Å
174A69.5Low64.5Low55 Ų5591.2 Ų91.246%0.45548%0.483SS..Hα-helixtrans-63.2-41.2177.800000112.1A170 A171 N172 Q178A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 2.88Å; A171-A174 PolarHBondContact O-N 3.12Å; N172-A174 VanDerWaalsContact C-N 3.33Å; N172-A174 PolarHBondContact O-N 3.02Å; A174-Q178 WeakPolarHBondContact O-CB 3.07Å; A174-Q178 WeakPolarHBondContact O-CG 3.36Å; A174-Q178 PolarHBondContact O-N 3.22Å
175V66.6Low65.8Low18 Ų1891 Ų9111%0.10947%0.473CS..Hα-helixtrans-70-48.4179.7171.30000111.5T18 Y110 I113 A171 N172 L173 S177 Q178 K179T18-V175 HydrophobicContact CG2-CG1 4.03Å; Y110-V175 HydrophobicContact CD1-CG1 4.23Å; Y110-V175 HydrophobicContact CD1-CG2 4.3Å; Y110-V175 HydrophobicContact CD2-CB 4.42Å; Y110-V175 HydrophobicContact CD2-CG2 3.17Å; Y110-V175 HydrophobicContact CE1-CG1 4.45Å; Y110-V175 HydrophobicContact CE1-CG2 4.5Å; Y110-V175 HydrophobicContact CE2-CB 4.5Å; Y110-V175 HydrophobicContact CE2-CG2 3.44Å; Y110-V175 VanDerWaalsContact CE2-CG2 3.44Å; Y110-V175 HydrophobicContact CG-CG1 4.23Å; Y110-V175 HydrophobicContact CG-CG2 3.63Å; I113-V175 HydrophobicContact CD1-CG1 3.76Å; A171-V175 WeakPolarHBondContact O-CG2 3.22Å; A171-V175 PolarHBondContact O-N 3.31Å; A171-V175 VanDerWaalsContact O-N 3.13Å; N172-V175 PolarHBondContact O-N 3.39Å; L173-V175 PolarHBondContact O-N 2.83Å; V175-S177 VanDerWaalsContact C-N 3.29Å; V175-S177 PolarHBondContact O-N 2.9Å; V175-Q178 PolarHBondContact O-N 2.93Å; V175-K179 PolarHBondContact O-N 3.43Å
176M67.2Low67Low56 Ų5692.1 Ų92.128%0.27648%0.479SS..Hα-helixtrans-60.8-41.9175.6-69.5-67.2-76.700110.3N172 Q178 K179 F180N172-M176 WeakPolarHBondContact O-CB 3.42Å; N172-M176 VanDerWaalsContact O-CG 3.31Å; N172-M176 WeakPolarHBondContact O-CG 3.4Å; N172-M176 PolarHBondContact O-N 2.81Å; M176-Q178 PolarHBondContact O-N 3.47Å; M176-K179 PolarHBondContact O-N 2.83Å; M176-F180 HydrophobicContact CB-CD2 4.18Å; M176-F180 HydrophobicContact CB-CE2 4Å; M176-F180 HydrophobicContact CE-CE2 3.71Å; M176-F180 HydrophobicContact CE-CZ 3.72Å; M176-F180 WeakPolarHBondContact O-CB 3.43Å; M176-F180 WeakPolarHBondContact O-CD2 3.33Å; M176-F180 WeakPolarHBondContact O-CG 2.98Å; M176-F180 PolarHBondContact O-N 3.47Å
177S69.6Low68.4Low73 Ų7389.8 Ų89.851%0.5147%0.467SS..Hα-helixtrans-61-43.3175.2179.10000112.5L173 V175 K181L173-S177 WeakPolarHBondContact O-CB 3.2Å; L173-S177 PolarHBondContact O-N 3.3Å; V175-S177 VanDerWaalsContact C-N 3.29Å; V175-S177 PolarHBondContact O-N 2.9Å; S177-K181 WeakPolarHBondContact O-CB 3.31Å; S177-K181 PolarHBondContact O-N 3.33Å
178Q72.6Confident69.8Low116 Ų11687.6 Ų87.654%0.54246%0.455SS..Hα-helixtrans-63.7-44.1175.7-76.7-88.6-11.900111.7A174 V175 M176 K181 K182A174-Q178 WeakPolarHBondContact O-CB 3.07Å; A174-Q178 WeakPolarHBondContact O-CG 3.36Å; A174-Q178 PolarHBondContact O-N 3.22Å; V175-Q178 PolarHBondContact O-N 2.93Å; M176-Q178 PolarHBondContact O-N 3.47Å; Q178-K181 PolarHBondContact O-N 3.13Å; Q178-K182 PolarHBondContact O-N 3.48Å
179K71.2Confident70.9Confident37 Ų3788.9 Ų88.916%0.16146%0.462CS..Hα-helixtrans-62.3-51.7176.4-174.9177.5168173.40111D116 V175 M176 K181 K182 E183D116-K179 IonicContact OD1-NZ 2.75Å; D116-K179 WeakPolarHBondContact OD2-CE 3.12Å; D116-K179 IonicContact OD2-NZ 3.77Å; D116-K179 PolarHBondContact OD2-NZ 2.91Å; V175-K179 PolarHBondContact O-N 3.43Å; M176-K179 PolarHBondContact O-N 2.83Å; K179-K181 VanDerWaalsContact C-N 3.28Å; K179-K181 PolarHBondContact O-N 3.48Å; K179-K182 PolarHBondContact O-N 2.94Å; K179-K182 VanDerWaalsContact O-N 3.12Å; K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 HydrophobicContact CG-CG 4.5Å; K179-E183 IonicContact NZ-OE1 2.66Å; K179-E183 WeakPolarHBondContact O-CG 3.3Å; K179-E183 PolarHBondContact O-N 2.66Å
180F70.2Confident72Confident108 Ų10888 Ų8847%0.47446%0.458SS..Hα-helixtrans-60.2-36.9176.9-73.1-52.1000112.4M176 A184M176-F180 HydrophobicContact CB-CD2 4.18Å; M176-F180 HydrophobicContact CB-CE2 4Å; M176-F180 HydrophobicContact CE-CE2 3.71Å; M176-F180 HydrophobicContact CE-CZ 3.72Å; M176-F180 WeakPolarHBondContact O-CB 3.43Å; M176-F180 WeakPolarHBondContact O-CD2 3.33Å; M176-F180 WeakPolarHBondContact O-CG 2.98Å; M176-F180 PolarHBondContact O-N 3.47Å; F180-A184 WeakPolarHBondContact O-CB 3.11Å; F180-A184 PolarHBondContact O-N 3.41Å
181K75.9Confident72.9Confident151 Ų15186.9 Ų86.966%0.65745%0.446SS*.Hα-helixtrans-63.8-44.6175.2-174.8178.4-179.4-179.60111.5S177 Q178 K179 H185S177-K181 WeakPolarHBondContact O-CB 3.31Å; S177-K181 PolarHBondContact O-N 3.33Å; Q178-K181 PolarHBondContact O-N 3.13Å; K179-K181 VanDerWaalsContact C-N 3.28Å; K179-K181 PolarHBondContact O-N 3.48Å; K181-H185 WeakPolarHBondContact O-CB 3.38Å; K181-H185 PolarHBondContact O-N 3.2Å; K181-H185 VanDerWaalsContact O-N 3.08Å
182K73.9Confident73.6Confident105 Ų10587.8 Ų87.846%0.45745%0.45SS..Hα-helixtrans-65.1-45.3177.1-75.2-172.6176.6-171.60111.2E114 Q178 K179 H185 L186E114-K182 IonicContact OE1-NZ 2.79Å; E114-K182 PolarHBondContact OE1-NZ 2.97Å; Q178-K182 PolarHBondContact O-N 3.48Å; K179-K182 PolarHBondContact O-N 2.94Å; K179-K182 VanDerWaalsContact O-N 3.12Å; K182-H185 PolarHBondContact O-N 3.48Å; K182-L186 PolarHBondContact O-N 3.15Å; K182-L186 VanDerWaalsContact O-N 3.11Å
183E74.7Confident74.7Confident77 Ų7793.1 Ų93.136%0.3647%0.472SS..Hα-helixtrans-64-48177.8-71.9178.7170.100111.6K179 H185 L186 L187K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 HydrophobicContact CG-CG 4.5Å; K179-E183 IonicContact NZ-OE1 2.66Å; K179-E183 WeakPolarHBondContact O-CG 3.3Å; K179-E183 PolarHBondContact O-N 2.66Å; E183-H185 VanDerWaalsContact C-N 3.26Å; E183-H185 PolarHBondContact O-N 2.98Å; E183-L186 PolarHBondContact O-N 2.94Å; E183-L186 VanDerWaalsContact O-N 3.12Å; E183-L187 HydrophobicContact CB-CD1 4.32Å; E183-L187 WeakPolarHBondContact O-CD1 3.47Å; E183-L187 PolarHBondContact O-N 2.92Å
184A75.9Confident76Confident47 Ų4792.2 Ų92.239%0.38847%0.471SS..Hα-helixtrans-59.3-37.1177.200000112.3F180 N188F180-A184 WeakPolarHBondContact O-CB 3.11Å; F180-A184 PolarHBondContact O-N 3.41Å; A184-N188 VanDerWaalsContact O-CB 3.24Å; A184-N188 WeakPolarHBondContact O-CB 3.38Å; A184-N188 VanDerWaalsContact O-CG 3.27Å; A184-N188 PolarHBondContact O-N 2.91Å; A184-N188 PolarHBondContact O-ND2 3.13Å
185H78.6Confident76.8Confident118 Ų11895.8 Ų95.855%0.54648%0.476SS..Hα-helixtrans-65.7-44.7175.6-168.9-88.9000111.9K181 K182 E183 N188 L189K181-H185 WeakPolarHBondContact O-CB 3.38Å; K181-H185 PolarHBondContact O-N 3.2Å; K181-H185 VanDerWaalsContact O-N 3.08Å; K182-H185 PolarHBondContact O-N 3.48Å; E183-H185 VanDerWaalsContact C-N 3.26Å; E183-H185 PolarHBondContact O-N 2.98Å; H185-N188 PolarHBondContact O-N 3.13Å; H185-L189 WeakPolarHBondContact O-CG 3.46Å; H185-L189 PolarHBondContact O-N 2.99Å
186L78.8Confident77.9Confident118 Ų11899.9 Ų99.962%0.61850%0.497SS*.Hα-helixtrans-63.7-42.8175.8-72171.9000112K182 E183 L189 R190K182-L186 PolarHBondContact O-N 3.15Å; K182-L186 VanDerWaalsContact O-N 3.11Å; E183-L186 PolarHBondContact O-N 2.94Å; E183-L186 VanDerWaalsContact O-N 3.12Å; L186-L189 PolarHBondContact O-N 3.13Å; L186-R190 WeakPolarHBondContact O-CB 3.44Å; L186-R190 PolarHBondContact O-N 3.02Å
187L76.3Confident79Confident120 Ų12099 Ų9963%0.62850%0.501SS*.Hα-helixtrans-63.4-42.2174.9-87.6109.3000111.7E183 R190 S191E183-L187 HydrophobicContact CB-CD1 4.32Å; E183-L187 WeakPolarHBondContact O-CD1 3.47Å; E183-L187 PolarHBondContact O-N 2.92Å; L187-R190 PolarHBondContact O-N 3.41Å; L187-S191 WeakPolarHBondContact O-CB 3.25Å; L187-S191 PolarHBondContact O-N 2.97Å
188N81.6Confident80.1Confident103 Ų103102.1 Ų102.155%0.55151%0.506SS*.Hα-helixtrans-65.5-40.3177.4-82.3-24.4000112.3A184 H185 S192A184-N188 VanDerWaalsContact O-CB 3.24Å; A184-N188 WeakPolarHBondContact O-CB 3.38Å; A184-N188 VanDerWaalsContact O-CG 3.27Å; A184-N188 PolarHBondContact O-N 2.91Å; A184-N188 PolarHBondContact O-ND2 3.13Å; H185-N188 PolarHBondContact O-N 3.13Å; N188-S192 VanDerWaalsContact O-CB 3.25Å; N188-S192 WeakPolarHBondContact O-CB 3.28Å; N188-S192 PolarHBondContact O-N 2.95Å; N188-S192 PolarHBondContact O-OG 3.24Å
189L80Confident81.1Confident79 Ų79100.4 Ų100.441%0.41450%0.503SS..Hα-helixtrans-62.3-51.1174.6-75.4174.9000110.7H185 L186 S191 S192 F193H185-L189 WeakPolarHBondContact O-CG 3.46Å; H185-L189 PolarHBondContact O-N 2.99Å; L186-L189 PolarHBondContact O-N 3.13Å; L189-S191 VanDerWaalsContact C-N 3.34Å; L189-S191 PolarHBondContact O-N 3.28Å; L189-S192 PolarHBondContact O-N 3.43Å; L189-F193 WeakPolarHBondContact O-CD2 3.16Å; L189-F193 PolarHBondContact O-N 3.45Å; L189-F193 VanDerWaalsContact O-N 3.09Å
190R80Confident82.2Confident200 Ų200102.2 Ų102.276%0.75552%0.518SS*.Hα-helixtrans-61.3-42.7179.1-170175.8-1791760.3111.8L186 L187 V194L186-R190 WeakPolarHBondContact O-CB 3.44Å; L186-R190 PolarHBondContact O-N 3.02Å; L187-R190 PolarHBondContact O-N 3.41Å; R190-V194 WeakPolarHBondContact O-CG2 3.24Å; R190-V194 PolarHBondContact O-N 2.94Å
191S80.5Confident83.4Confident44 Ų44102.9 Ų102.931%0.30853%0.526SS..Hα-helixtrans-64.5-39.9176.8-1720000111.8L187 L189 V194 K195L187-S191 WeakPolarHBondContact O-CB 3.25Å; L187-S191 PolarHBondContact O-N 2.97Å; L189-S191 VanDerWaalsContact C-N 3.34Å; L189-S191 PolarHBondContact O-N 3.28Å; S191-V194 PolarHBondContact O-N 2.68Å; S191-K195 WeakPolarHBondContact O-CB 3.12Å; S191-K195 VanDerWaalsContact O-CG 3.28Å; S191-K195 WeakPolarHBondContact O-CG 3.39Å; S191-K195 PolarHBondContact O-N 2.8Å; S191-K195 VanDerWaalsContact OG-CE 3.29Å; S191-K195 WeakPolarHBondContact OG-CE 3.43Å; S191-K195 PolarHBondContact OG-NZ 3.35Å
192S79Confident84.3Confident56 Ų5699.8 Ų99.839%0.39252%0.516SS..Hα-helixtrans-62.7-46.1178.4-62.30000111.8N188 L189 V194 K195 I196N188-S192 VanDerWaalsContact O-CB 3.25Å; N188-S192 WeakPolarHBondContact O-CB 3.28Å; N188-S192 PolarHBondContact O-N 2.95Å; N188-S192 PolarHBondContact O-OG 3.24Å; L189-S192 PolarHBondContact O-N 3.43Å; S192-V194 VanDerWaalsContact C-N 3.35Å; S192-V194 PolarHBondContact O-N 3.21Å; S192-K195 PolarHBondContact O-N 2.84Å; S192-I196 VanDerWaalsContact O-CG1 3.27Å; S192-I196 WeakPolarHBondContact O-CG1 3.4Å; S192-I196 PolarHBondContact O-N 3.37Å
193F85Confident85.3Confident152 Ų15299.1 Ų99.167%0.66752%0.516SS*.Hα-helixtrans-60.5-43.4176.8-78.2-67.4000112.4L189 I196 G197L189-F193 WeakPolarHBondContact O-CD2 3.16Å; L189-F193 PolarHBondContact O-N 3.45Å; L189-F193 VanDerWaalsContact O-N 3.09Å; F193-I196 PolarHBondContact O-N 3.09Å; F193-G197 PolarHBondContact O-N 3.13Å
194V88.1Confident86.3Confident103 Ų103100 Ų10062%0.62453%0.526SS*.Hα-helixtrans-64.2-43177.6174.50000111.3R190 S191 S192 G197 F198R190-V194 WeakPolarHBondContact O-CG2 3.24Å; R190-V194 PolarHBondContact O-N 2.94Å; S191-V194 PolarHBondContact O-N 2.68Å; S192-V194 VanDerWaalsContact C-N 3.35Å; S192-V194 PolarHBondContact O-N 3.21Å; V194-G197 PolarHBondContact O-N 2.86Å; V194-F198 PolarHBondContact O-N 3.42Å
195K87Confident87.3Confident131 Ų131100.2 Ų100.257%0.5753%0.528SS*.Hα-helixtrans-62.3-45.7177.2-73.2169.9-177.8168.20112.1S191 S192 F198 V199S191-K195 WeakPolarHBondContact O-CB 3.12Å; S191-K195 VanDerWaalsContact O-CG 3.28Å; S191-K195 WeakPolarHBondContact O-CG 3.39Å; S191-K195 PolarHBondContact O-N 2.8Å; S191-K195 VanDerWaalsContact OG-CE 3.29Å; S191-K195 WeakPolarHBondContact OG-CE 3.43Å; S191-K195 PolarHBondContact OG-NZ 3.35Å; S192-K195 PolarHBondContact O-N 2.84Å; K195-F198 PolarHBondContact O-N 3.44Å; K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.28Å
196I90.3Very high88.1Confident104 Ų10499.4 Ų99.453%0.53353%0.527SS..Hα-helixtrans-63.9-42178.5-67.1164.4000110.8S192 F193 F198 V199 T200S192-I196 VanDerWaalsContact O-CG1 3.27Å; S192-I196 WeakPolarHBondContact O-CG1 3.4Å; S192-I196 PolarHBondContact O-N 3.37Å; F193-I196 PolarHBondContact O-N 3.09Å; I196-F198 VanDerWaalsContact C-N 3.32Å; I196-F198 PolarHBondContact O-N 3.31Å; I196-V199 PolarHBondContact O-N 2.97Å; I196-T200 HydrophobicContact CG2-CG2 4.47Å; I196-T200 WeakPolarHBondContact O-CG2 3.27Å; I196-T200 PolarHBondContact O-N 3.49Å; I196-T200 PolarHBondContact O-OG1 3.3Å
197G90.4Very high88.9Confident36 Ų3698.7 Ų98.737%0.37152%0.523SS..Hα-helixtrans-58.8-42.2174.200000112.7F193 V194 T200 L201F193-G197 PolarHBondContact O-N 3.13Å; V194-G197 PolarHBondContact O-N 2.86Å; G197-T200 WeakPolarHBondContact CA-OG1 3.38Å; G197-T200 PolarHBondContact O-OG1 3.5Å; G197-L201 WeakPolarHBondContact O-CB 3.43Å; G197-L201 PolarHBondContact O-N 3.12Å; G197-L201 VanDerWaalsContact O-N 3.13Å
198F93.2Very high89.8Confident139 Ų139101 Ų10161%0.6153%0.525SS*.Hα-helixtrans-66.9-42.7177.8-163.8-97.8000112.7V194 K195 I196 L201 L202V194-F198 PolarHBondContact O-N 3.42Å; K195-F198 PolarHBondContact O-N 3.44Å; I196-F198 VanDerWaalsContact C-N 3.32Å; I196-F198 PolarHBondContact O-N 3.31Å; F198-L201 PolarHBondContact O-N 3.35Å; F198-L202 HydrophobicContact CD1-CD1 3.88Å; F198-L202 HydrophobicContact CD1-CG 4.34Å; F198-L202 HydrophobicContact CE1-CD1 3.64Å; F198-L202 HydrophobicContact CE1-CG 4.14Å; F198-L202 PolarHBondContact O-N 3.47Å
199V93.7Very high90.4Very high81 Ų8198.9 Ų98.949%0.49152%0.521SS..Hα-helixtrans-64.1-43.8178.3172.10000111.6K195 I196 L202 I203K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.28Å; I196-V199 PolarHBondContact O-N 2.97Å; V199-L202 PolarHBondContact O-N 3.44Å; V199-I203 HydrophobicContact CG1-CD1 4.04Å; V199-I203 WeakPolarHBondContact O-CG1 3.47Å; V199-I203 PolarHBondContact O-N 3.37Å; V199-I203 VanDerWaalsContact O-N 3.07Å
200T93.4Very high91.1Very high75 Ų7599.4 Ų99.446%0.4652%0.524SS..Hα-helixtrans-64.4-40.9178.347.50000112.2I196 G197 L202 I203 V204I196-T200 HydrophobicContact CG2-CG2 4.47Å; I196-T200 WeakPolarHBondContact O-CG2 3.27Å; I196-T200 PolarHBondContact O-N 3.49Å; I196-T200 PolarHBondContact O-OG1 3.3Å; G197-T200 WeakPolarHBondContact CA-OG1 3.38Å; G197-T200 PolarHBondContact O-OG1 3.5Å; T200-L202 PolarHBondContact O-N 3.32Å; T200-I203 PolarHBondContact O-N 3.07Å; T200-V204 WeakPolarHBondContact O-CG2 3.29Å; T200-V204 PolarHBondContact O-N 2.99Å; T200-V204 VanDerWaalsContact O-N 3.07Å
201L95Very high91.7Very high122 Ų12297.5 Ų97.564%0.63952%0.521SS*.Hα-helixtrans-62.5-42.9175.9-149.8171.2000111.4G197 F198 I203 V204 A205G197-L201 WeakPolarHBondContact O-CB 3.43Å; G197-L201 PolarHBondContact O-N 3.12Å; G197-L201 VanDerWaalsContact O-N 3.13Å; F198-L201 PolarHBondContact O-N 3.35Å; L201-I203 PolarHBondContact O-N 3.07Å; L201-V204 PolarHBondContact O-N 3.07Å; L201-A205 PolarHBondContact O-N 3.44Å
202L95.4Very high92.2Very high86 Ų8699.4 Ų99.445%0.4553%0.531SS..Hα-helixtrans-60.3-43.3174.9-79.1177.4000112.7F198 V199 T200 V204 A205 I206F198-L202 HydrophobicContact CD1-CD1 3.88Å; F198-L202 HydrophobicContact CD1-CG 4.34Å; F198-L202 HydrophobicContact CE1-CD1 3.64Å; F198-L202 HydrophobicContact CE1-CG 4.14Å; F198-L202 PolarHBondContact O-N 3.47Å; V199-L202 PolarHBondContact O-N 3.44Å; T200-L202 PolarHBondContact O-N 3.32Å; L202-V204 PolarHBondContact O-N 3.03Å; L202-A205 PolarHBondContact O-N 3.26Å; L202-I206 WeakPolarHBondContact O-CG1 3.38Å; L202-I206 PolarHBondContact O-N 3.39Å
203I95.7Very high92.7Very high91 Ų91106.7 Ų106.747%0.46755%0.551SS.*Hα-helixtrans-61.6-45.2177.8-68.2166.9000110.6V199 T200 L201 A205 I206 L207V199-I203 HydrophobicContact CG1-CD1 4.04Å; V199-I203 WeakPolarHBondContact O-CG1 3.47Å; V199-I203 PolarHBondContact O-N 3.37Å; V199-I203 VanDerWaalsContact O-N 3.07Å; T200-I203 PolarHBondContact O-N 3.07Å; L201-I203 PolarHBondContact O-N 3.07Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 3.38Å; I203-I206 PolarHBondContact O-N 3.32Å; I203-L207 HydrophobicContact CG2-CD1 4.04Å; I203-L207 HydrophobicContact CG2-CG 4.43Å; I203-L207 WeakPolarHBondContact O-CG 3.34Å; I203-L207 PolarHBondContact O-N 2.98Å
204V95.7Very high92.5Very high94 Ų94106.1 Ų106.157%0.5755%0.554SS**Hα-helixtrans-62-40.8177.6173.20000111.4T200 L201 L202 L207 Y208T200-V204 WeakPolarHBondContact O-CG2 3.29Å; T200-V204 PolarHBondContact O-N 2.99Å; T200-V204 VanDerWaalsContact O-N 3.07Å; L201-V204 PolarHBondContact O-N 3.07Å; L202-V204 PolarHBondContact O-N 3.03Å; V204-L207 PolarHBondContact O-N 3.36Å; V204-Y208 WeakPolarHBondContact O-CB 3.46Å; V204-Y208 PolarHBondContact O-N 2.99Å
205A95.2Very high91.2Very high52 Ų52110.8 Ų110.843%0.4357%0.574SS.*Hα-helixtrans-63.9-41.4177.400000112.3L201 L202 I203 Y208 A209L201-A205 PolarHBondContact O-N 3.44Å; L202-A205 PolarHBondContact O-N 3.26Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 3.38Å; A205-Y208 PolarHBondContact O-N 3.43Å; A205-A209 WeakPolarHBondContact O-CB 3.44Å; A205-A209 PolarHBondContact O-N 2.92Å
206I95.5Very high91.4Very high101 Ų101109.8 Ų109.852%0.51857%0.574SS.*Hα-helixtrans-64.3-44.8175.7-67.9166.6000110.8L202 I203 Y208 A209 L210L202-I206 WeakPolarHBondContact O-CG1 3.38Å; L202-I206 PolarHBondContact O-N 3.39Å; I203-I206 PolarHBondContact O-N 3.32Å; I206-Y208 VanDerWaalsContact C-N 3.32Å; I206-Y208 PolarHBondContact O-N 3.4Å; I206-A209 PolarHBondContact O-N 3.47Å; I206-L210 HydrophobicContact CG2-CD1 4.09Å; I206-L210 WeakPolarHBondContact O-CG 3.34Å; I206-L210 PolarHBondContact O-N 2.96Å
207L95.4Very high91.4Very high104 Ų104110.1 Ų110.155%0.54558%0.576SS.*Hα-helixtrans-62.3-40.4177.5-71.6174000111.8I203 V204 L210 K211I203-L207 HydrophobicContact CG2-CD1 4.04Å; I203-L207 HydrophobicContact CG2-CG 4.43Å; I203-L207 WeakPolarHBondContact O-CG 3.34Å; I203-L207 PolarHBondContact O-N 2.98Å; V204-L207 PolarHBondContact O-N 3.36Å; L207-L210 PolarHBondContact O-N 3.21Å; L207-K211 WeakPolarHBondContact O-CB 3.46Å; L207-K211 PolarHBondContact O-N 3.3Å
208Y95Very high91.5Very high169 Ų169114.2 Ų114.266%0.66359%0.588SS**Hα-helixtrans-63.9-45.9175.4-171.7-95.2000111.6V204 A205 I206 L210 K211 V212V204-Y208 WeakPolarHBondContact O-CB 3.46Å; V204-Y208 PolarHBondContact O-N 2.99Å; A205-Y208 PolarHBondContact O-N 3.43Å; I206-Y208 VanDerWaalsContact C-N 3.32Å; I206-Y208 PolarHBondContact O-N 3.4Å; Y208-L210 VanDerWaalsContact C-N 3.35Å; Y208-L210 PolarHBondContact O-N 3.45Å; Y208-K211 WeakPolarHBondContact O-CB 3.32Å; Y208-K211 PolarHBondContact O-N 2.95Å; Y208-V212 HydrophobicContact CD1-CG2 4.09Å; Y208-V212 HydrophobicContact CE1-CG2 3.75Å; Y208-V212 WeakPolarHBondContact O-CG2 3.37Å; Y208-V212 PolarHBondContact O-N 3.3Å
209A94.2Very high91.4Very high57 Ų57112.7 Ų112.747%0.47159%0.586SS.*Hα-helixtrans-60.8-41.3176.800000112.5A205 I206 V212 Y213A205-A209 WeakPolarHBondContact O-CB 3.44Å; A205-A209 PolarHBondContact O-N 2.92Å; I206-A209 PolarHBondContact O-N 3.47Å; A209-V212 PolarHBondContact O-N 2.99Å; A209-Y213 WeakPolarHBondContact O-CB 3.33Å; A209-Y213 PolarHBondContact O-N 3.29Å
210L95.1Very high91.2Very high90 Ų90114.7 Ų114.747%0.47159%0.592SS.*Hα-helixtrans-63.3-43.1174.6-76.9168.3000112I206 L207 Y208 V212 Y213 I214I206-L210 HydrophobicContact CG2-CD1 4.09Å; I206-L210 WeakPolarHBondContact O-CG 3.34Å; I206-L210 PolarHBondContact O-N 2.96Å; L207-L210 PolarHBondContact O-N 3.21Å; Y208-L210 VanDerWaalsContact C-N 3.35Å; Y208-L210 PolarHBondContact O-N 3.45Å; L210-V212 VanDerWaalsContact C-N 3.27Å; L210-V212 PolarHBondContact O-N 3Å; L210-Y213 PolarHBondContact O-N 2.95Å; L210-I214 HydrophobicContact CD2-CD1 4.48Å; L210-I214 WeakPolarHBondContact O-CB 3.38Å; L210-I214 WeakPolarHBondContact O-CG1 3.41Å; L210-I214 PolarHBondContact O-N 2.94Å
211K92.5Very high91.1Very high160 Ų160117.3 Ų117.370%0.69660%0.601SS**Hα-helixtrans-61.2-35.8176.6-112.7-104.2178.91760112.6L207 Y208 L215L207-K211 WeakPolarHBondContact O-CB 3.46Å; L207-K211 PolarHBondContact O-N 3.3Å; Y208-K211 WeakPolarHBondContact O-CB 3.32Å; Y208-K211 PolarHBondContact O-N 2.95Å; K211-L215 WeakPolarHBondContact O-CB 3.45Å
212V92.4Very high90.8Very high85 Ų85117 Ų11752%0.51560%0.599SS.*Hα-helixtrans-78.5-31.3178.2171.90000112.2Y208 A209 L210Y208-V212 HydrophobicContact CD1-CG2 4.09Å; Y208-V212 HydrophobicContact CE1-CG2 3.75Å; Y208-V212 WeakPolarHBondContact O-CG2 3.37Å; Y208-V212 PolarHBondContact O-N 3.3Å; A209-V212 PolarHBondContact O-N 2.99Å; L210-V212 VanDerWaalsContact C-N 3.27Å; L210-V212 PolarHBondContact O-N 3Å
213Y88.1Confident90.5Very high208 Ų208119.4 Ų119.482%0.81661%0.61SS**Hα-helixtrans-83.9-29.7-178.6-169-91.7000113.6A209 L210A209-Y213 WeakPolarHBondContact O-CB 3.33Å; A209-Y213 PolarHBondContact O-N 3.29Å; L210-Y213 PolarHBondContact O-N 2.95Å
214I81.4Confident90Very high141 Ų141121.8 Ų121.872%0.72362%0.622SS**Hα-helixtrans-83.6-19.4-179.4-66.9169.6000112L210L210-I214 HydrophobicContact CD2-CD1 4.48Å; L210-I214 WeakPolarHBondContact O-CB 3.38Å; L210-I214 WeakPolarHBondContact O-CG1 3.41Å; L210-I214 PolarHBondContact O-N 2.94Å
215L60.1Low89.5Confident200 Ų200124.3 Ų124.3100%1.04763%0.627SS**  trans-98.50178.1-158.482.5000110.9K211K211-L215 WeakPolarHBondContact O-CB 3.45Å

Retrieved 215 of 215 residues in 93.1 ms (Link to these results)

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