A0A060XBP4_ONCMY Loading...

SEC22 homolog B, vesicle trafficking protein b

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 (A0A4W5PZP6), UniProt , Accession A0A060XBP4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene sec22bb, 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
1M72.3Confident87.2Confident90 Ų9022.7 Ų22.744%0.44314%0.139SC..  0162.8060.7-172.981.500110L3 S75 E76M1-L3 HydrophobicContact CG-CD2 4.08Å; M1-L3 HydrophobicContact CG-CG 4.31Å; M1-L3 HydrophobicContact SD-CD2 4.3Å; M1-S75 WeakPolarHBondContact O-CA 3.33Å; M1-S75 WeakPolarHBondContact O-CB 3.39Å; M1-E76 HydrophobicContact CG-CG 4.4Å; M1-E76 PolarHBondContact N-OE2 2.95Å; M1-E76 PolarHBondContact O-N 3.44Å
2V71Confident87.4Confident3 Ų328 Ų282%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-89.9126.8174.5169.50000109V73 F79 K123 I127V2-V73 HydrophobicContact CB-CG2 4.33Å; V2-V73 HydrophobicContact CG1-CG2 3.31Å; V2-V73 HydrophobicContact CG2-CG2 4.14Å; V2-F79 HydrophobicContact CG2-CD1 4.2Å; V2-F79 HydrophobicContact CG2-CE1 3.81Å; V2-F79 HydrophobicContact CG2-CE2 4.34Å; V2-F79 HydrophobicContact CG2-CZ 3.88Å; V2-K123 HydrophobicContact CG1-CD 4.24Å; V2-K123 HydrophobicContact CG1-CG 4.28Å; V2-I127 HydrophobicContact CB-CD1 4.1Å; V2-I127 HydrophobicContact CB-CG1 4.39Å
3L73.9Confident87.5Confident10 Ų1026.8 Ų26.85%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-108-41.2-169.8-67.5159.5000112.4M1 L26 L30 M59 L74M1-L3 HydrophobicContact CG-CD2 4.08Å; M1-L3 HydrophobicContact CG-CG 4.31Å; M1-L3 HydrophobicContact SD-CD2 4.3Å; L3-L26 HydrophobicContact CD2-CD1 4.42Å; L3-L26 HydrophobicContact CD2-CD2 4.35Å; L3-L30 HydrophobicContact CB-CD1 4.46Å; L3-M59 HydrophobicContact CD1-CE 3.68Å; L3-M59 HydrophobicContact CD1-SD 3.46Å; L3-M59 WeakPolarHBondContact CD1-SD 3.44Å; L3-L74 HydrophobicContact CB-CD2 4.24Å; L3-L74 HydrophobicContact CD1-CD2 4.43Å; L3-L74 PolarHBondContact N-O 3.08Å
4L85.3Confident87.7Confident2 Ų226.3 Ų26.31%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-138.6141-173.1166.671.7000110M6 M20 L30 V73 L74L4-M6 HydrophobicContact CD1-CG 3.69Å; L4-M6 HydrophobicContact CD1-SD 4.13Å; L4-M6 HydrophobicContact CD2-CG 4.26Å; L4-M6 HydrophobicContact CD2-SD 3.99Å; L4-M6 HydrophobicContact CG-CG 3.98Å; L4-M6 HydrophobicContact CG-SD 4.35Å; L4-M20 HydrophobicContact CD1-CE 3.38Å; L4-M20 HydrophobicContact CD1-CG 3.31Å; L4-M20 HydrophobicContact CD1-SD 4.05Å; L4-L30 HydrophobicContact CB-CD1 4.36Å; L4-V73 CarbonylContact O-C 3.58Å; L4-V73 WeakPolarHBondContact O-CA 3.44Å; L4-V73 WeakPolarHBondContact O-CG2 3.47Å; L4-L74 HydrophobicContact CB-CB 3.88Å; L4-L74 HydrophobicContact CB-CD2 4.25Å; L4-L74 PolarHBondContact O-N 3.33Å
5T92.5Very high87.8Confident1 Ų126.3 Ų26.31%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-131.7132.9168.7-52.60000109A18 S19 L72 Y87 L91 I119T5-A18 CarbonylContact O-C 3.38Å; T5-A18 VanDerWaalsContact O-CA 3.25Å; T5-A18 WeakPolarHBondContact O-CA 3.45Å; T5-S19 PolarHBondContact N-O 2.9Å; T5-S19 PolarHBondContact O-N 2.81Å; T5-L72 CarbonylContact C-O 3.52Å; T5-L72 WeakPolarHBondContact CA-O 3.27Å; T5-Y87 HydrophobicContact CG2-CE1 4.04Å; T5-Y87 WeakPolarHBondContact CG2-OH 3.46Å; T5-Y87 PolarHBondContact OG1-OH 3.13Å; T5-L91 HydrophobicContact CG2-CD1 3.62Å; T5-I119 HydrophobicContact CG2-CG2 3.92Å
6M92.8Very high88Confident2 Ų224.6 Ų24.61%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-136.6139.7178.9-62.4-174.272.500110.1L4 A18 M20 A37 F41 L72L4-M6 HydrophobicContact CD1-CG 3.69Å; L4-M6 HydrophobicContact CD1-SD 4.13Å; L4-M6 HydrophobicContact CD2-CG 4.26Å; L4-M6 HydrophobicContact CD2-SD 3.99Å; L4-M6 HydrophobicContact CG-CG 3.98Å; L4-M6 HydrophobicContact CG-SD 4.35Å; M6-A18 HydrophobicContact CG-CB 4.08Å; M6-M20 HydrophobicContact SD-CE 4.5Å; M6-A37 HydrophobicContact SD-CB 3.77Å; M6-F41 HydrophobicContact CB-CE2 3.84Å; M6-F41 HydrophobicContact CB-CZ 3.75Å; M6-F41 HydrophobicContact CE-CE2 3.95Å; M6-F41 HydrophobicContact SD-CE2 4.12Å; M6-L72 PolarHBondContact N-O 3.4Å; M6-L72 PolarHBondContact O-N 3.18Å
7I94.7Very high87.9Confident1 Ų123.2 Ų23.21%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-120127.3174.2-54.1179.9000107L16 A17 V69 V70 Y71 F95 F115 I119I7-L16 HydrophobicContact CB-CB 4.49Å; I7-L16 HydrophobicContact CG2-CB 4.22Å; I7-L16 HydrophobicContact CG2-CD1 4.27Å; I7-L16 WeakPolarHBondContact O-CB 3.18Å; I7-L16 PolarHBondContact O-N 2.93Å; I7-A17 HydrophobicContact CB-CB 4.41Å; I7-A17 HydrophobicContact CD1-CB 4.38Å; I7-A17 PolarHBondContact N-O 3Å; I7-A17 PolarHBondContact O-N 3.08Å; I7-V69 HydrophobicContact CG2-CG1 3.46Å; I7-V69 VanDerWaalsContact CG2-CG1 3.46Å; I7-V70 WeakPolarHBondContact CA-O 3.48Å; I7-Y71 HydrophobicContact CD1-CD1 3.92Å; I7-Y71 HydrophobicContact CD1-CE1 4.05Å; I7-Y71 HydrophobicContact CG1-CD1 3.92Å; I7-Y71 HydrophobicContact CG1-CE1 4.4Å; I7-Y71 HydrophobicContact CG2-CD1 3.98Å; I7-Y71 HydrophobicContact CG2-CE1 3.9Å; I7-F95 HydrophobicContact CD1-CD2 4Å; I7-F95 HydrophobicContact CD1-CE2 4.43Å; I7-F95 HydrophobicContact CD1-CG 4.33Å; I7-F95 HydrophobicContact CG2-CD1 4.43Å; I7-F95 HydrophobicContact CG2-CE1 4.2Å; I7-F95 HydrophobicContact CG2-CE2 4.44Å; I7-F95 HydrophobicContact CG2-CZ 4.22Å; I7-F115 HydrophobicContact CD1-CD1 3.87Å; I7-F115 HydrophobicContact CD1-CE1 3.77Å; I7-I119 HydrophobicContact CD1-CD1 4.16Å
8A94.4Very high88Confident0 Ų023.1 Ų23.10%014%0.142CC..EExtended strand (participates in β ladder)trans-138.2154.3-178.900000111.5L14 F41 V70A8-L14 CarbonylContact C-O 3.57Å; A8-L14 VanDerWaalsContact CA-O 3.24Å; A8-L14 WeakPolarHBondContact CA-O 3.5Å; A8-F41 HydrophobicContact CB-CD1 3.72Å; A8-F41 HydrophobicContact CB-CD2 3.87Å; A8-F41 HydrophobicContact CB-CE1 3.74Å; A8-F41 HydrophobicContact CB-CE2 3.9Å; A8-F41 HydrophobicContact CB-CG 3.79Å; A8-F41 HydrophobicContact CB-CZ 3.83Å; A8-V70 PolarHBondContact N-O 3.05Å; A8-V70 PolarHBondContact O-N 3.18Å
9R95.6Very high87.8Confident34 Ų3422 Ų2213%0.12814%0.136CC..EExtended strand (participates in β ladder)trans-77.4134.3172.4-176.6165.362.4-166.86.2109.9A11 D12 G13 L14 L16 V103 P104 V106R9-A11 HydrophobicContact CG-CB 4.38Å; R9-A11 PolarHBondContact O-N 2.89Å; R9-D12 IonicContact CZ-OD1 3.71Å; R9-D12 IonicContact CZ-OD2 3.48Å; R9-D12 IonicContact NE-OD1 2.91Å; R9-D12 PolarHBondContact NE-OD1 3.18Å; R9-D12 IonicContact NE-OD2 3.46Å; R9-D12 PolarHBondContact NE-OD2 2.75Å; R9-D12 IonicContact NH2-OD1 3.66Å; R9-D12 IonicContact NH2-OD2 2.69Å; R9-D12 PolarHBondContact NH2-OD2 2.75Å; R9-G13 WeakPolarHBondContact O-CA 3.42Å; R9-G13 PolarHBondContact O-N 3.4Å; R9-L14 HydrophobicContact CB-CB 4.27Å; R9-L14 PolarHBondContact N-O 2.82Å; R9-L16 HydrophobicContact CB-CD1 4.34Å; R9-L16 HydrophobicContact CB-CD2 4.41Å; R9-L16 HydrophobicContact CB-CG 4.49Å; R9-V103 HydrophobicContact CG-CG1 4.27Å; R9-V103 PolarHBondContact NH1-O 2.66Å; R9-P104 PolarHBondContact NH1-O 2.86Å; R9-V106 PolarHBondContact NH1-O 3.28Å; R9-V106 PolarHBondContact NH2-O 2.99Å; R9-V106 VanDerWaalsContact NH2-O 3.16Å
10L95.2Very high87.4Confident11 Ų1124.2 Ų24.26%0.05815%0.145CC..THydrogen-bonded Turntrans-65-39.7-176.5-178.466.6000112.6D12 L44 D46 I65 G68 V70L10-D12 VanDerWaalsContact C-N 3.31Å; L10-D12 PolarHBondContact O-N 3.13Å; L10-L44 HydrophobicContact CD1-CB 3.86Å; L10-D46 VanDerWaalsContact CD2-OD1 3.32Å; L10-D46 WeakPolarHBondContact CD2-OD1 3.29Å; L10-I65 HydrophobicContact CD1-CD1 4.06Å; L10-I65 HydrophobicContact CD1-CG2 4.2Å; L10-I65 HydrophobicContact CD2-CG2 3.72Å; L10-I65 HydrophobicContact CG-CG2 4.45Å; L10-G68 WeakPolarHBondContact CB-O 3.42Å; L10-G68 PolarHBondContact N-O 3.08Å; L10-V70 HydrophobicContact CB-CG2 4.07Å; L10-V70 HydrophobicContact CD1-CG2 3.65Å; L10-V70 HydrophobicContact CG-CG2 4.48Å
11A91.6Very high86.3Confident96 Ų9626.8 Ų26.879%0.79316%0.156SC*.THydrogen-bonded Turntrans-61.6-34.8-171.100000114.1R9R9-A11 HydrophobicContact CG-CB 4.38Å; R9-A11 PolarHBondContact O-N 2.89Å
12D89.3Confident85.3Confident86 Ų8631.3 Ų31.346%0.4618%0.176SC..THydrogen-bonded Turntrans-136.90.6-172.258.6-10.3000113.8R9 L10 L14R9-D12 IonicContact CZ-OD1 3.71Å; R9-D12 IonicContact CZ-OD2 3.48Å; R9-D12 IonicContact NE-OD1 2.91Å; R9-D12 PolarHBondContact NE-OD1 3.18Å; R9-D12 IonicContact NE-OD2 3.46Å; R9-D12 PolarHBondContact NE-OD2 2.75Å; R9-D12 IonicContact NH2-OD1 3.66Å; R9-D12 IonicContact NH2-OD2 2.69Å; R9-D12 PolarHBondContact NH2-OD2 2.75Å; L10-D12 VanDerWaalsContact C-N 3.31Å; L10-D12 PolarHBondContact O-N 3.13Å; D12-L14 PolarHBondContact O-N 2.79Å; D12-L14 VanDerWaalsContact OD1-CB 3.27Å; D12-L14 WeakPolarHBondContact OD1-CB 3.3Å; D12-L14 PolarHBondContact OD1-N 3.12Å
13G88.9Confident84.6Confident13 Ų1335.2 Ų35.213%0.13420%0.197CC..  trans6620.5-174.600000113.4R9 P15R9-G13 WeakPolarHBondContact O-CA 3.42Å; R9-G13 PolarHBondContact O-N 3.4Å; G13-P15 VanDerWaalsContact O-CD 3.29Å; G13-P15 WeakPolarHBondContact O-CD 3.19Å
14L89.8Confident83.5Confident19 Ų1944.5 Ų44.510%0.09924%0.24CC..  trans-63.5120.2-178.7-179.269.2000110.2A8 R9 D12 L16 V106 P109A8-L14 CarbonylContact C-O 3.57Å; A8-L14 VanDerWaalsContact CA-O 3.24Å; A8-L14 WeakPolarHBondContact CA-O 3.5Å; R9-L14 HydrophobicContact CB-CB 4.27Å; R9-L14 PolarHBondContact N-O 2.82Å; D12-L14 PolarHBondContact O-N 2.79Å; D12-L14 VanDerWaalsContact OD1-CB 3.27Å; D12-L14 WeakPolarHBondContact OD1-CB 3.3Å; D12-L14 PolarHBondContact OD1-N 3.12Å; L14-L16 HydrophobicContact CD2-CD2 4.38Å; L14-L16 PolarHBondContact O-N 2.86Å; L14-V106 HydrophobicContact CD2-CG2 4.37Å; L14-P109 HydrophobicContact CD1-CB 4.28Å; L14-P109 HydrophobicContact CD1-CG 3.91Å
15P90.4Very high81.9Confident26 Ų2653.7 Ų53.717%0.16928%0.283CS..EExtended strand (participates in β ladder)trans-63.8129.2175.5-2133.5000110.5G13 Y110G13-P15 VanDerWaalsContact O-CD 3.29Å; G13-P15 WeakPolarHBondContact O-CD 3.19Å; P15-Y110 HydrophobicContact CB-CD1 4.04Å; P15-Y110 HydrophobicContact CB-CD2 4.46Å; P15-Y110 HydrophobicContact CB-CE1 3.66Å; P15-Y110 HydrophobicContact CB-CE2 4.13Å; P15-Y110 HydrophobicContact CB-CG 4.42Å; P15-Y110 PolarHBondContact O-N 3.42Å
16L89.8Confident80.2Confident0 Ų056.4 Ų56.40%030%0.297CS..EExtended strand (participates in β ladder)trans-103.7-47.6-178.2-62.2-175.7000111.5I7 R9 L14 V69 F95 V103 V106 Y110 F112I7-L16 HydrophobicContact CB-CB 4.49Å; I7-L16 HydrophobicContact CG2-CB 4.22Å; I7-L16 HydrophobicContact CG2-CD1 4.27Å; I7-L16 WeakPolarHBondContact O-CB 3.18Å; I7-L16 PolarHBondContact O-N 2.93Å; R9-L16 HydrophobicContact CB-CD1 4.34Å; R9-L16 HydrophobicContact CB-CD2 4.41Å; R9-L16 HydrophobicContact CB-CG 4.49Å; L14-L16 HydrophobicContact CD2-CD2 4.38Å; L14-L16 PolarHBondContact O-N 2.86Å; L16-V69 HydrophobicContact CD1-CG1 4.12Å; L16-V69 HydrophobicContact CD1-CG2 4.31Å; L16-F95 HydrophobicContact CB-CZ 4.02Å; L16-F95 HydrophobicContact CD1-CE1 3.98Å; L16-F95 HydrophobicContact CD1-CZ 3.89Å; L16-V103 HydrophobicContact CD1-CG1 3.89Å; L16-V103 HydrophobicContact CD1-CG2 4.21Å; L16-V106 HydrophobicContact CD2-CG2 4.03Å; L16-Y110 CarbonylContact O-C 3.58Å; L16-Y110 VanDerWaalsContact O-CA 3.31Å; L16-Y110 WeakPolarHBondContact O-CA 3.22Å; L16-F112 HydrophobicContact CB-CD2 3.94Å; L16-F112 HydrophobicContact CD2-CD2 4.16Å; L16-F112 HydrophobicContact CD2-CE2 4.02Å; L16-F112 HydrophobicContact CG-CD2 4.5Å; L16-F112 PolarHBondContact O-N 2.75Å
17A87.6Confident78.6Confident1 Ų158.4 Ų58.41%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-153.3155.5176.500000109.5I7 F112 F115 I119I7-A17 HydrophobicContact CB-CB 4.41Å; I7-A17 HydrophobicContact CD1-CB 4.38Å; I7-A17 PolarHBondContact N-O 3Å; I7-A17 PolarHBondContact O-N 3.08Å; A17-F112 WeakPolarHBondContact CB-O 3.15Å; A17-F115 HydrophobicContact CB-CB 4.29Å; A17-I119 HydrophobicContact CB-CD1 4.32Å
18A88.5Confident76.9Confident20 Ų2069.1 Ų69.117%0.16536%0.359CS..EExtended strand (participates in β ladder)trans-155155.4173.800000110.6T5 M6 M20 Y110T5-A18 CarbonylContact O-C 3.38Å; T5-A18 VanDerWaalsContact O-CA 3.25Å; T5-A18 WeakPolarHBondContact O-CA 3.45Å; M6-A18 HydrophobicContact CG-CB 4.08Å; A18-M20 HydrophobicContact CB-CE 4.28Å; A18-Y110 HydrophobicContact CB-CE1 3.89Å
19S84.8Confident75.7Confident3 Ų373.6 Ų73.62%0.02138%0.382CS..EExtended strand (participates in β ladder)trans-138.9120.3176.7-169.80000109.8T5 D116 Q120 K123T5-S19 PolarHBondContact N-O 2.9Å; T5-S19 PolarHBondContact O-N 2.81Å; S19-D116 WeakPolarHBondContact CA-OD1 3.38Å; S19-D116 WeakPolarHBondContact CB-OD1 3.35Å; S19-D116 PolarHBondContact OG-OD1 3.37Å; S19-Q120 WeakPolarHBondContact OG-CG 3.47Å; S19-K123 PolarHBondContact O-NZ 3.44Å; S19-K123 PolarHBondContact OG-NZ 2.89Å
20M78.9Confident74.6Confident66 Ų6673.3 Ų73.333%0.32538%0.383SS..EExtended strand (participates in β ladder)trans-121.3135.8-178.6-71.5167.5-15800109L4 M6 A18 Q34L4-M20 HydrophobicContact CD1-CE 3.38Å; L4-M20 HydrophobicContact CD1-CG 3.31Å; L4-M20 HydrophobicContact CD1-SD 4.05Å; M6-M20 HydrophobicContact SD-CE 4.5Å; A18-M20 HydrophobicContact CB-CE 4.28Å; M20-Q34 HydrophobicContact CE-CG 4.02Å
21Q64.8Low73.7Confident78 Ų7879.5 Ų79.536%0.36441%0.412SS..  trans-88.5120.7166.2-96.5169.7-21.500108.8D23Q21-D23 VanDerWaalsContact C-N 3.32Å; Q21-D23 PolarHBondContact O-N 2.98Å
22E52.6Low73.3Confident186 Ų18680.2 Ų80.287%0.86940%0.399SS*.  trans-86.374.6172.1-68.6-178.7173.300108.9
23D55.4Low73.1Confident85 Ų8577.4 Ų77.446%0.45538%0.382SS..  trans-84.7116.7162.7-73.1-29.6000108Q21 Q25 L26Q21-D23 VanDerWaalsContact C-N 3.32Å; Q21-D23 PolarHBondContact O-N 2.98Å; D23-Q25 PolarHBondContact O-N 3.25Å; D23-L26 PolarHBondContact O-N 2.98Å
24E50.7Low72.8Confident204 Ų20479 Ų7995%0.95339%0.386SS*.THydrogen-bonded Turntrans-53.5-22.9-173.3-74.8-175.9146.900114.1
25Q51.7Low72.6Confident196 Ų19680.9 Ų80.992%0.91640%0.401SS*.THydrogen-bonded Turntrans-82.6-18.4-178.6-82162.2-31.500115D23D23-Q25 PolarHBondContact O-N 3.25Å
26L56.4Low72.6Confident58 Ų5880.7 Ų80.730%0.30440%0.397SS..SBendtrans-103.54.8-176.8-91.1128.5000114.2L3 D23 R28 D29 L30L3-L26 HydrophobicContact CD2-CD1 4.42Å; L3-L26 HydrophobicContact CD2-CD2 4.35Å; D23-L26 PolarHBondContact O-N 2.98Å; L26-R28 PolarHBondContact O-N 3.37Å; L26-D29 PolarHBondContact O-N 3.36Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 PolarHBondContact O-N 2.95Å; L26-L30 VanDerWaalsContact O-N 3.12Å
27G59Low72.5Confident44 Ų4480.7 Ų80.745%0.45440%0.397SS..Hα-helixtrans-59.1-33.5-164.900000116.4
28R60.2Low72.5Confident226 Ų22684 Ų8485%0.85341%0.412SS*.Hα-helixtrans-76.2-43.7-178.9-78.6-165.4-79.9-155.8-3.7113L26 Q31L26-R28 PolarHBondContact O-N 3.37Å; R28-Q31 PolarHBondContact O-N 2.97Å
29D68.3Low72.6Confident93 Ų9386.1 Ų86.150%0.49742%0.418SS..Hα-helixtrans-73.1-35-178.4-62.9-14.8000110.9L26 Q31 Q32 Y33L26-D29 PolarHBondContact O-N 3.36Å; D29-Q31 VanDerWaalsContact C-N 3.27Å; D29-Q31 PolarHBondContact O-N 3.19Å; D29-Q32 WeakPolarHBondContact O-CB 3.47Å; D29-Q32 PolarHBondContact O-N 2.9Å; D29-Q32 VanDerWaalsContact O-N 3.1Å; D29-Y33 HydrophobicContact CB-CE2 4.09Å; D29-Y33 WeakPolarHBondContact O-CD2 3.5Å; D29-Y33 PolarHBondContact O-N 3.16Å; D29-Y33 VanDerWaalsContact O-N 3.13Å
30L72.5Confident72.9Confident28 Ų2886 Ų8615%0.14742%0.417CS..Hα-helixtrans-61.3-35.9178-168.964.9000112.4L3 L4 L26 Q32 Y33 Q34L3-L30 HydrophobicContact CB-CD1 4.46Å; L4-L30 HydrophobicContact CB-CD1 4.36Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 PolarHBondContact O-N 2.95Å; L26-L30 VanDerWaalsContact O-N 3.12Å; L30-Q32 VanDerWaalsContact C-N 3.34Å; L30-Q32 PolarHBondContact O-N 3.47Å; L30-Y33 PolarHBondContact O-N 3.44Å; L30-Q34 WeakPolarHBondContact O-CB 3.48Å; L30-Q34 PolarHBondContact O-N 3Å
31Q77.6Confident73.5Confident141 Ų14183.1 Ų83.166%0.65940%0.403SS*.Hα-helixtrans-64.4-38.7176.2-171.1-177.9-12.600111.9R28 D29 Q34 S35R28-Q31 PolarHBondContact O-N 2.97Å; D29-Q31 VanDerWaalsContact C-N 3.27Å; D29-Q31 PolarHBondContact O-N 3.19Å; Q31-Q34 PolarHBondContact O-N 2.71Å; Q31-S35 PolarHBondContact O-N 2.57Å; Q31-S35 VanDerWaalsContact O-N 3.08Å
32Q82.4Confident74.7Confident111 Ų11187.3 Ų87.352%0.51942%0.415SS..Hα-helixtrans-63.7-48.9175.8177.1178.2-16.300110.9D29 L30 Q34 S35 Q36D29-Q32 WeakPolarHBondContact O-CB 3.47Å; D29-Q32 PolarHBondContact O-N 2.9Å; D29-Q32 VanDerWaalsContact O-N 3.1Å; L30-Q32 VanDerWaalsContact C-N 3.34Å; L30-Q32 PolarHBondContact O-N 3.47Å; Q32-Q34 VanDerWaalsContact C-N 3.28Å; Q32-Q34 PolarHBondContact O-N 2.94Å; Q32-S35 WeakPolarHBondContact O-CA 3.44Å; Q32-S35 VanDerWaalsContact O-CB 3.31Å; Q32-S35 WeakPolarHBondContact O-CB 3.27Å; Q32-S35 PolarHBondContact O-N 3.17Å; Q32-Q36 PolarHBondContact O-N 3.34Å
33Y84.1Confident76.4Confident27 Ų2781.7 Ų81.711%0.10639%0.388CS..Hα-helixtrans-63.8-34178.3-65.3-63.4000112.6D29 L30 S35 Q36 A37 A56 M59 F61 L74D29-Y33 HydrophobicContact CB-CE2 4.09Å; D29-Y33 WeakPolarHBondContact O-CD2 3.5Å; D29-Y33 PolarHBondContact O-N 3.16Å; D29-Y33 VanDerWaalsContact O-N 3.13Å; L30-Y33 PolarHBondContact O-N 3.44Å; Y33-S35 VanDerWaalsContact C-N 3.31Å; Y33-S35 PolarHBondContact O-N 3.41Å; Y33-Q36 PolarHBondContact O-N 3.05Å; Y33-A37 WeakPolarHBondContact O-CB 3.27Å; Y33-A37 PolarHBondContact O-N 3.3Å; Y33-A56 HydrophobicContact CE1-CB 4.1Å; Y33-M59 HydrophobicContact CE1-CB 3.86Å; Y33-M59 HydrophobicContact CE1-CG 3.98Å; Y33-M59 HydrophobicContact CE2-CG 3.77Å; Y33-M59 VanDerWaalsContact CZ-CG 3.43Å; Y33-M59 WeakPolarHBondContact OH-CG 3.47Å; Y33-F61 AromaticContact CD1-CE2 3.9Å; Y33-F61 HydrophobicContact CD1-CE2 3.9Å; Y33-F61 AromaticContact CD1-CZ 3.86Å; Y33-F61 HydrophobicContact CD1-CZ 3.86Å; Y33-F61 HydrophobicContact CG-CZ 4.36Å; Y33-L74 HydrophobicContact CD1-CD1 4.18Å; Y33-L74 HydrophobicContact CD1-CD2 4.35Å; Y33-L74 HydrophobicContact CD2-CD2 3.95Å; Y33-L74 HydrophobicContact CG-CD1 4.36Å; Y33-L74 HydrophobicContact CG-CD2 3.7Å
34Q83.9Confident78.1Confident46 Ų4678.2 Ų78.222%0.21537%0.369CS..Hα-helixtrans-64.6-36.2173-163.3-165.827.200112M20 L30 Q31 Q32 K38M20-Q34 HydrophobicContact CE-CG 4.02Å; L30-Q34 WeakPolarHBondContact O-CB 3.48Å; L30-Q34 PolarHBondContact O-N 3Å; Q31-Q34 PolarHBondContact O-N 2.71Å; Q32-Q34 VanDerWaalsContact C-N 3.28Å; Q32-Q34 PolarHBondContact O-N 2.94Å; Q34-K38 WeakPolarHBondContact O-CG 3.46Å; Q34-K38 PolarHBondContact O-N 3Å; Q34-K38 VanDerWaalsContact O-N 3.15Å
35S85.9Confident80.1Confident59 Ų5972.3 Ų72.341%0.41335%0.345SS..Hα-helixtrans-65.6-47.1173.7-172.90000111.1Q31 Q32 Y33 A37 K38 Q39Q31-S35 PolarHBondContact O-N 2.57Å; Q31-S35 VanDerWaalsContact O-N 3.08Å; Q32-S35 WeakPolarHBondContact O-CA 3.44Å; Q32-S35 VanDerWaalsContact O-CB 3.31Å; Q32-S35 WeakPolarHBondContact O-CB 3.27Å; Q32-S35 PolarHBondContact O-N 3.17Å; Y33-S35 VanDerWaalsContact C-N 3.31Å; Y33-S35 PolarHBondContact O-N 3.41Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.46Å; S35-K38 PolarHBondContact O-N 3.03Å; S35-Q39 WeakPolarHBondContact O-CG 3.42Å; S35-Q39 PolarHBondContact O-N 3.01Å
36Q88.9Confident81.9Confident22 Ų2269.7 Ų69.710%0.10334%0.337CS..Hα-helixtrans-59.7-43176.6-71.5-179.9-22.500111.7Q32 Y33 K38 Q39 L40 F61 I153 L157Q32-Q36 PolarHBondContact O-N 3.34Å; Y33-Q36 PolarHBondContact O-N 3.05Å; Q36-K38 PolarHBondContact O-N 3.33Å; Q36-Q39 PolarHBondContact O-N 3.21Å; Q36-L40 WeakPolarHBondContact O-CB 3.25Å; Q36-L40 PolarHBondContact O-N 2.94Å; Q36-F61 HydrophobicContact CB-CE2 4.44Å; Q36-F61 HydrophobicContact CB-CZ 4.09Å; Q36-I153 HydrophobicContact CB-CD1 3.91Å; Q36-L157 HydrophobicContact CB-CD1 4.03Å; Q36-L157 HydrophobicContact CG-CD1 3.87Å
37A88.9Confident83.5Confident0 Ų075.2 Ų75.20%036%0.361CS..Hα-helixtrans-58.2-44.6174.800000112.5M6 Y33 S35 L40 F41 F61 L72M6-A37 HydrophobicContact SD-CB 3.77Å; Y33-A37 WeakPolarHBondContact O-CB 3.27Å; Y33-A37 PolarHBondContact O-N 3.3Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.46Å; A37-L40 WeakPolarHBondContact O-CB 3.18Å; A37-L40 PolarHBondContact O-N 3.11Å; A37-F41 WeakPolarHBondContact O-CD2 3.23Å; A37-F41 WeakPolarHBondContact O-CG 3.43Å; A37-F41 PolarHBondContact O-N 2.94Å; A37-F61 HydrophobicContact CB-CE1 4.05Å; A37-L72 HydrophobicContact CB-CD2 3.57Å
38K88.2Confident85.1Confident71 Ų7174.1 Ų74.131%0.30935%0.347SS..Hα-helixtrans-65.2-38.7176.9-72.3170.9-175.9167.50112.2Q34 S35 Q36 R42Q34-K38 WeakPolarHBondContact O-CG 3.46Å; Q34-K38 PolarHBondContact O-N 3Å; Q34-K38 VanDerWaalsContact O-N 3.15Å; S35-K38 PolarHBondContact O-N 3.03Å; Q36-K38 PolarHBondContact O-N 3.33Å; K38-R42 WeakPolarHBondContact O-CG 3.08Å; K38-R42 PolarHBondContact O-N 3.35Å
39Q89.4Confident86.6Confident64 Ų6465.9 Ų65.930%0.29932%0.322SS..Hα-helixtrans-66.9-40.6175-68.5173.6-33.300110.9S35 Q36 F41 R42 K43 L157S35-Q39 WeakPolarHBondContact O-CG 3.42Å; S35-Q39 PolarHBondContact O-N 3.01Å; Q36-Q39 PolarHBondContact O-N 3.21Å; Q39-F41 PolarHBondContact O-N 3.45Å; Q39-R42 WeakPolarHBondContact O-CB 3.4Å; Q39-R42 PolarHBondContact O-N 3.09Å; Q39-R42 VanDerWaalsContact O-N 3.07Å; Q39-K43 WeakPolarHBondContact O-CG 3.36Å; Q39-K43 PolarHBondContact O-N 3.36Å; Q39-L157 HydrophobicContact CB-CD2 3.6Å
40L91.6Very high87.8Confident0 Ų065.4 Ų65.40%032%0.323CS..Hα-helixtrans-58-48.1175.8178.362.2000111.3Q36 A37 R42 K43 L44 L54 Y63 L72 V156 L157Q36-L40 WeakPolarHBondContact O-CB 3.25Å; Q36-L40 PolarHBondContact O-N 2.94Å; A37-L40 WeakPolarHBondContact O-CB 3.18Å; A37-L40 PolarHBondContact O-N 3.11Å; L40-R42 PolarHBondContact O-N 2.81Å; L40-R42 VanDerWaalsContact O-N 3.09Å; L40-K43 PolarHBondContact O-N 3.1Å; L40-L44 HydrophobicContact CD1-CD1 4.28Å; L40-L44 HydrophobicContact CD1-CD2 4.07Å; L40-L44 HydrophobicContact CD1-CG 4.01Å; L40-L44 HydrophobicContact CG-CD1 4.03Å; L40-L44 HydrophobicContact CG-CG 4.21Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 2.77Å; L40-L54 HydrophobicContact CD1-CD1 3.48Å; L40-L54 VanDerWaalsContact CD1-CD1 3.48Å; L40-L54 HydrophobicContact CD2-CD1 3.62Å; L40-L54 HydrophobicContact CG-CD1 4.18Å; L40-Y63 HydrophobicContact CD2-CD1 4.28Å; L40-L72 HydrophobicContact CD2-CD1 3.78Å; L40-L72 HydrophobicContact CD2-CD2 4.46Å; L40-V156 HydrophobicContact CD1-CG1 3.99Å; L40-L157 HydrophobicContact CB-CD2 4.44Å
41F91.2Very high88.8Confident7 Ų768.7 Ų68.73%0.03133%0.333CS..Hα-helixtrans-59.3-24176.8-67-46000114.2M6 A8 A37 Q39 V70 L72M6-F41 HydrophobicContact CB-CE2 3.84Å; M6-F41 HydrophobicContact CB-CZ 3.75Å; M6-F41 HydrophobicContact CE-CE2 3.95Å; M6-F41 HydrophobicContact SD-CE2 4.12Å; A8-F41 HydrophobicContact CB-CD1 3.72Å; A8-F41 HydrophobicContact CB-CD2 3.87Å; A8-F41 HydrophobicContact CB-CE1 3.74Å; A8-F41 HydrophobicContact CB-CE2 3.9Å; A8-F41 HydrophobicContact CB-CG 3.79Å; A8-F41 HydrophobicContact CB-CZ 3.83Å; A37-F41 WeakPolarHBondContact O-CD2 3.23Å; A37-F41 WeakPolarHBondContact O-CG 3.43Å; A37-F41 PolarHBondContact O-N 2.94Å; Q39-F41 PolarHBondContact O-N 3.45Å; F41-V70 HydrophobicContact CD1-CB 4.09Å; F41-V70 HydrophobicContact CD1-CG1 4.03Å; F41-V70 HydrophobicContact CE1-CB 3.86Å; F41-V70 HydrophobicContact CE1-CG1 3.65Å; F41-L72 HydrophobicContact CE1-CB 3.99Å; F41-L72 HydrophobicContact CE1-CD2 4.14Å; F41-L72 HydrophobicContact CE2-CD2 4.14Å; F41-L72 HydrophobicContact CZ-CB 3.75Å; F41-L72 HydrophobicContact CZ-CD2 3.64Å; F41-L72 HydrophobicContact CZ-CG 4.35Å
42R89Confident89.7Confident165 Ų16562 Ų6262%0.62330%0.302SS*.Hα-helixtrans-83.3-17.6174.7-66.7173.6173-169.2-5.9113.4K38 Q39 L40K38-R42 WeakPolarHBondContact O-CG 3.08Å; K38-R42 PolarHBondContact O-N 3.35Å; Q39-R42 WeakPolarHBondContact O-CB 3.4Å; Q39-R42 PolarHBondContact O-N 3.09Å; Q39-R42 VanDerWaalsContact O-N 3.07Å; L40-R42 PolarHBondContact O-N 2.81Å; L40-R42 VanDerWaalsContact O-N 3.09Å
43K89.3Confident90.3Very high68 Ų6856.7 Ų56.730%0.29628%0.277SS..Hα-helixtrans-93.9-31.1180-67.2-66.1-176.6-178.40112.1Q39 L40 G160Q39-K43 WeakPolarHBondContact O-CG 3.36Å; Q39-K43 PolarHBondContact O-N 3.36Å; L40-K43 PolarHBondContact O-N 3.1Å; K43-G160 PolarHBondContact NZ-O 3.34Å
44L91.4Very high90.8Very high12 Ų1255.5 Ų55.56%0.06327%0.272CS..  trans-66.6142.2178.3-63.7175.6000111.4L10 L40 S48 Y63 I65 V70L10-L44 HydrophobicContact CD1-CB 3.86Å; L40-L44 HydrophobicContact CD1-CD1 4.28Å; L40-L44 HydrophobicContact CD1-CD2 4.07Å; L40-L44 HydrophobicContact CD1-CG 4.01Å; L40-L44 HydrophobicContact CG-CD1 4.03Å; L40-L44 HydrophobicContact CG-CG 4.21Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 2.77Å; L44-S48 WeakPolarHBondContact CA-OG 3.48Å; L44-Y63 HydrophobicContact CD1-CD2 4.36Å; L44-Y63 HydrophobicContact CD1-CE2 4.29Å; L44-Y63 HydrophobicContact CD2-CE1 4.16Å; L44-Y63 HydrophobicContact CD2-CE2 4.03Å; L44-I65 HydrophobicContact CD1-CD1 4.43Å; L44-I65 HydrophobicContact CD2-CD1 4.36Å; L44-V70 HydrophobicContact CD1-CG1 3.67Å; L44-V70 HydrophobicContact CD1-CG2 4.17Å
45N92.1Very high91.4Very high81 Ų8157.4 Ų57.443%0.43328%0.281SS..  trans-154.3-176.8178.959.743.8000109.7Q47 S48N45-Q47 PolarHBondContact O-N 3.36Å; N45-Q47 VanDerWaalsContact O-N 3.13Å; N45-Q47 WeakPolarHBondContact OD1-CA 3.5Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.35Å; N45-Q47 PolarHBondContact OD1-N 2.85Å; N45-S48 PolarHBondContact N-OG 3.25Å; N45-S48 WeakPolarHBondContact O-CB 3.49Å; N45-S48 PolarHBondContact O-N 3.32Å; N45-S48 PolarHBondContact O-OG 3.47Å; N45-S48 PolarHBondContact OD1-N 2.89Å; N45-S48 PolarHBondContact OD1-OG 3.11Å
46D90.2Very high91.6Very high141 Ų14155 Ų5575%0.75427%0.266SS*.THydrogen-bonded Turntrans-64.5-16.2-177.2-59.3-43.5000114.8L10L10-D46 VanDerWaalsContact CD2-OD1 3.32Å; L10-D46 WeakPolarHBondContact CD2-OD1 3.29Å
47Q90.1Very high91.5Very high173 Ų17357.5 Ų57.581%0.80830%0.297SS*.THydrogen-bonded Turntrans-90.5-6.3174.5-58-60.3-47.100112.4N45N45-Q47 PolarHBondContact O-N 3.36Å; N45-Q47 VanDerWaalsContact O-N 3.13Å; N45-Q47 WeakPolarHBondContact OD1-CA 3.5Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.35Å; N45-Q47 PolarHBondContact OD1-N 2.85Å
48S91.8Very high91.5Very high22 Ų2261.3 Ų61.315%0.15432%0.324CS..SBendtrans-73144.4179-58.10000110.3L44 N45 T50L44-S48 WeakPolarHBondContact CA-OG 3.48Å; N45-S48 PolarHBondContact N-OG 3.25Å; N45-S48 WeakPolarHBondContact O-CB 3.49Å; N45-S48 PolarHBondContact O-N 3.32Å; N45-S48 PolarHBondContact O-OG 3.47Å; N45-S48 PolarHBondContact OD1-N 2.89Å; N45-S48 PolarHBondContact OD1-OG 3.11Å; S48-T50 PolarHBondContact O-N 3.23Å
49P92.9Very high91.6Very high53 Ų5358.8 Ų58.834%0.34431%0.313SS..  trans-58135.4178.2-30.141.3000111.6R51 Y63 M149P49-R51 VanDerWaalsContact C-N 3.26Å; P49-R51 PolarHBondContact O-N 3.44Å; P49-Y63 VanDerWaalsContact O-CE2 3.24Å; P49-Y63 WeakPolarHBondContact O-CE2 3.42Å; P49-Y63 PolarHBondContact O-OH 3.16Å; P49-M149 HydrophobicContact CB-CB 4.43Å; P49-M149 HydrophobicContact CB-CE 4.17Å; P49-M149 HydrophobicContact CB-SD 4.37Å; P49-M149 HydrophobicContact CG-CE 3.54Å; P49-M149 HydrophobicContact CG-SD 3.64Å
50T93.2Very high91.9Very high82 Ų8256 Ų5650%0.50330%0.301SS..SBendtrans-68.1-25.8-174.9530000113.4S48 V64 I65S48-T50 PolarHBondContact O-N 3.23Å; T50-V64 CarbonylContact O-C 3.6Å; T50-V64 VanDerWaalsContact O-CA 3.29Å; T50-V64 WeakPolarHBondContact O-CA 3.47Å; T50-I65 PolarHBondContact O-N 3.14Å
51R93.7Very high92.1Very high98 Ų9856 Ų5637%0.3730%0.301SS..EExtended strand (participates in β ladder)trans-133.1126.1174.5-64.2-173.8171.585.1-7109.7P49 Y63 V64 F85 E89 I148 M149P49-R51 VanDerWaalsContact C-N 3.26Å; P49-R51 PolarHBondContact O-N 3.44Å; R51-Y63 WeakPolarHBondContact CA-O 3.4Å; R51-V64 HydrophobicContact CG-CG2 4.29Å; R51-F85 HydrophobicContact CB-CE1 4.04Å; R51-F85 HydrophobicContact CG-CE1 4.43Å; R51-E89 IonicContact CZ-OE1 3.5Å; R51-E89 IonicContact NE-OE1 3.35Å; R51-E89 PolarHBondContact NE-OE1 3.41Å; R51-E89 IonicContact NH2-OE1 2.79Å; R51-E89 PolarHBondContact NH2-OE1 3.05Å; R51-I148 HydrophobicContact CB-CG1 4.38Å; R51-M149 PolarHBondContact O-N 3.41Å
52C94.9Very high92.3Very high0 Ų055.8 Ų55.80%030%0.3CS..EExtended strand (participates in β ladder)trans-152.7148.4-179.6176.60000112.5L54 H62 Y63 M149C52-L54 VanDerWaalsContact SG-CD2 3.52Å; C52-H62 WeakPolarHBondContact O-CA 3.37Å; C52-Y63 HydrophobicContact CB-CD1 4.15Å; C52-Y63 HydrophobicContact CB-CE1 3.43Å; C52-Y63 VanDerWaalsContact CB-CE1 3.43Å; C52-Y63 HydrophobicContact CB-CE2 4.06Å; C52-Y63 WeakPolarHBondContact CB-OH 3.49Å; C52-Y63 PolarHBondContact N-O 3.16Å; C52-Y63 VanDerWaalsContact N-O 3.16Å; C52-Y63 PolarHBondContact O-N 3.49Å; C52-M149 CarbonylContact C-O 3.58Å; C52-M149 VanDerWaalsContact CA-O 3.26Å; C52-M149 WeakPolarHBondContact CA-O 3.44Å; C52-M149 HydrophobicContact CB-CB 4.32Å; C52-M149 HydrophobicContact CB-CE 4.2Å; C52-M149 WeakPolarHBondContact SG-CE 3.43Å; C52-M149 PolarHBondContact SG-O 3.01Å
53T95.8Very high92.6Very high0 Ų048.2 Ų48.20%027%0.271CS..EExtended strand (participates in β ladder)trans-109.3126.4167.5-61.30000109.2F61 H62 M149 V150 A151T53-F61 CarbonylContact C-O 3.54Å; T53-F61 VanDerWaalsContact CA-O 3.24Å; T53-F61 WeakPolarHBondContact CA-O 3.4Å; T53-H62 WeakPolarHBondContact CG2-CE1 3.33Å; T53-H62 WeakPolarHBondContact CG2-ND1 3.24Å; T53-H62 PolarHBondContact OG1-ND1 3.02Å; T53-M149 PolarHBondContact N-O 3.05Å; T53-V150 VanDerWaalsContact O-CA 3.32Å; T53-V150 WeakPolarHBondContact O-CA 3.31Å; T53-A151 PolarHBondContact O-N 3.12Å
54L95.4Very high92.9Very high1 Ų145.1 Ų45.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-109.3119.6173.8-54.2173.7000110.2L40 C52 S60 F61 Y63 A151 I153 V156L40-L54 HydrophobicContact CD1-CD1 3.48Å; L40-L54 VanDerWaalsContact CD1-CD1 3.48Å; L40-L54 HydrophobicContact CD2-CD1 3.62Å; L40-L54 HydrophobicContact CG-CD1 4.18Å; C52-L54 VanDerWaalsContact SG-CD2 3.52Å; L54-S60 CarbonylContact O-C 3.54Å; L54-S60 WeakPolarHBondContact O-CA 3.32Å; L54-F61 HydrophobicContact CB-CB 4.18Å; L54-F61 PolarHBondContact N-O 2.92Å; L54-F61 PolarHBondContact O-N 3.03Å; L54-Y63 HydrophobicContact CD1-CD1 4.47Å; L54-Y63 HydrophobicContact CD1-CE1 4.12Å; L54-Y63 HydrophobicContact CG-CE1 4.28Å; L54-A151 CarbonylContact C-O 3.43Å; L54-A151 WeakPolarHBondContact CA-O 3.49Å; L54-A151 HydrophobicContact CD2-CB 3.9Å; L54-I153 HydrophobicContact CB-CB 4.08Å; L54-I153 HydrophobicContact CB-CG1 4.47Å; L54-I153 HydrophobicContact CD1-CG1 4.38Å; L54-V156 HydrophobicContact CD2-CG2 3.79Å
55E94.6Very high93.2Very high86 Ų8645.2 Ų45.240%0.40226%0.259SS..EExtended strand (participates in β ladder)trans-81.5130.7-179.7-62.7-177.1159.100110.1V150 A151 I153E55-V150 HydrophobicContact CG-CG1 4Å; E55-A151 PolarHBondContact N-O 3.08Å; E55-I153 WeakPolarHBondContact O-CG2 3.42Å; E55-I153 PolarHBondContact O-N 3.36Å
56A90.6Very high93.3Very high10 Ų1044.8 Ų44.88%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-136.162.4-174.400000109.9Y33 S58 M59 F61 I153Y33-A56 HydrophobicContact CE1-CB 4.1Å; A56-S58 PolarHBondContact O-N 3.11Å; A56-M59 CarbonylContact C-O 3.52Å; A56-M59 WeakPolarHBondContact CA-O 3.44Å; A56-M59 PolarHBondContact N-O 3.17Å; A56-M59 PolarHBondContact O-N 3.47Å; A56-F61 HydrophobicContact CB-CD2 4.01Å; A56-F61 HydrophobicContact CB-CE2 3.86Å; A56-I153 HydrophobicContact CB-CB 4.4Å; A56-I153 HydrophobicContact CB-CG2 3.62Å
57G87.6Confident93.5Very high74 Ų7444.1 Ų44.176%0.76324%0.244SC*.THydrogen-bonded Turntrans67.5-116.9-177.300000112.4M59G57-M59 PolarHBondContact O-N 2.79Å
58S88.3Confident93.7Very high80 Ų8037.5 Ų37.556%0.55922%0.222SC*.THydrogen-bonded Turntrans-77.1-7.2177.257.10000113.7A56 A77A56-S58 PolarHBondContact O-N 3.11Å; S58-A77 PolarHBondContact O-N 2.92Å
59M91.4Very high94Very high18 Ų1836.7 Ų36.79%0.08922%0.216CC..EExtended strand (participates in β ladder)trans-116.8164-179.2-58.7-61.916600111.5L3 Y33 A56 G57 L74 S75 E76L3-M59 HydrophobicContact CD1-CE 3.68Å; L3-M59 HydrophobicContact CD1-SD 3.46Å; L3-M59 WeakPolarHBondContact CD1-SD 3.44Å; Y33-M59 HydrophobicContact CE1-CB 3.86Å; Y33-M59 HydrophobicContact CE1-CG 3.98Å; Y33-M59 HydrophobicContact CE2-CG 3.77Å; Y33-M59 VanDerWaalsContact CZ-CG 3.43Å; Y33-M59 WeakPolarHBondContact OH-CG 3.47Å; A56-M59 CarbonylContact C-O 3.52Å; A56-M59 WeakPolarHBondContact CA-O 3.44Å; A56-M59 PolarHBondContact N-O 3.17Å; A56-M59 PolarHBondContact O-N 3.47Å; G57-M59 PolarHBondContact O-N 2.79Å; M59-L74 HydrophobicContact CB-CD1 3.79Å; M59-S75 CarbonylContact C-O 3.45Å; M59-S75 WeakPolarHBondContact CA-O 3.48Å; M59-E76 HydrophobicContact CE-CG 4.06Å; M59-E76 HydrophobicContact SD-CB 4.33Å; M59-E76 HydrophobicContact SD-CG 3.9Å
60S94.3Very high94.2Very high5 Ų534.2 Ų34.24%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-140.9131.9176-64.30000109.6L54 S75L54-S60 CarbonylContact O-C 3.54Å; L54-S60 WeakPolarHBondContact O-CA 3.32Å; S60-S75 PolarHBondContact N-O 3.27Å; S60-S75 PolarHBondContact O-N 2.89Å
61F95.6Very high94.4Very high0 Ų030.4 Ų30.40%018%0.177CC..EExtended strand (participates in β ladder)trans-89.2135.7167.9-67.2-92.3000108.7Y33 Q36 A37 T53 L54 A56 L72 V73 L74 I153Y33-F61 AromaticContact CD1-CE2 3.9Å; Y33-F61 HydrophobicContact CD1-CE2 3.9Å; Y33-F61 AromaticContact CD1-CZ 3.86Å; Y33-F61 HydrophobicContact CD1-CZ 3.86Å; Y33-F61 HydrophobicContact CG-CZ 4.36Å; Q36-F61 HydrophobicContact CB-CE2 4.44Å; Q36-F61 HydrophobicContact CB-CZ 4.09Å; A37-F61 HydrophobicContact CB-CE1 4.05Å; T53-F61 CarbonylContact C-O 3.54Å; T53-F61 VanDerWaalsContact CA-O 3.24Å; T53-F61 WeakPolarHBondContact CA-O 3.4Å; L54-F61 HydrophobicContact CB-CB 4.18Å; L54-F61 PolarHBondContact N-O 2.92Å; L54-F61 PolarHBondContact O-N 3.03Å; A56-F61 HydrophobicContact CB-CD2 4.01Å; A56-F61 HydrophobicContact CB-CE2 3.86Å; F61-L72 HydrophobicContact CB-CD1 4.01Å; F61-L72 HydrophobicContact CD1-CD1 3.93Å; F61-L72 HydrophobicContact CD1-CD2 4.06Å; F61-L72 HydrophobicContact CD1-CG 4.18Å; F61-L72 HydrophobicContact CE1-CD2 4.42Å; F61-L72 HydrophobicContact CG-CD1 4.43Å; F61-V73 CarbonylContact C-O 3.51Å; F61-V73 WeakPolarHBondContact CA-O 3.17Å; F61-L74 HydrophobicContact CD1-CB 4.36Å; F61-L74 HydrophobicContact CD1-CD1 3.89Å; F61-L74 HydrophobicContact CD2-CD1 3.92Å; F61-L74 HydrophobicContact CE1-CB 4.34Å; F61-L74 HydrophobicContact CE1-CD1 3.74Å; F61-L74 HydrophobicContact CE1-CG 4.48Å; F61-L74 HydrophobicContact CE2-CD1 3.76Å; F61-L74 HydrophobicContact CG-CD1 4Å; F61-L74 HydrophobicContact CZ-CD1 3.69Å; F61-I153 HydrophobicContact CD2-CD1 3.36Å; F61-I153 HydrophobicContact CE2-CD1 3.27Å; F61-I153 HydrophobicContact CG-CD1 4.16Å; F61-I153 HydrophobicContact CZ-CD1 4Å
62H95.8Very high94.5Very high2 Ų225.9 Ų25.91%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-121.4134.2169.7-51.1-79.8000107.6C52 T53 L72 V73 S75 A84 F85 L88C52-H62 WeakPolarHBondContact O-CA 3.37Å; T53-H62 WeakPolarHBondContact CG2-CE1 3.33Å; T53-H62 WeakPolarHBondContact CG2-ND1 3.24Å; T53-H62 PolarHBondContact OG1-ND1 3.02Å; H62-L72 CarbonylContact O-C 3.54Å; H62-L72 WeakPolarHBondContact O-CA 3.5Å; H62-V73 HydrophobicContact CB-CG1 3.81Å; H62-V73 PolarHBondContact N-O 3.32Å; H62-V73 PolarHBondContact O-N 3.21Å; H62-S75 PolarHBondContact CD2-OG 3.3Å; H62-S75 PolarHBondContact NE2-OG 3.18Å; H62-A84 HydrophobicContact CB-CB 4.19Å; H62-F85 HydrophobicContact CB-CE2 4.1Å; H62-F85 HydrophobicContact CB-CZ 4.03Å; H62-F85 AromaticContact ND1-CE2 3.81Å; H62-L88 HydrophobicContact CB-CD1 4.2Å; H62-L88 WeakPolarHBondContact O-CD1 3.36Å
63Y96.6Very high94.5Very high6 Ų625.9 Ų25.92%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-136.9152.817573.7-98.6000113.8L40 L44 P49 R51 C52 L54 I65 V70 Y71 F85L40-Y63 HydrophobicContact CD2-CD1 4.28Å; L44-Y63 HydrophobicContact CD1-CD2 4.36Å; L44-Y63 HydrophobicContact CD1-CE2 4.29Å; L44-Y63 HydrophobicContact CD2-CE1 4.16Å; L44-Y63 HydrophobicContact CD2-CE2 4.03Å; P49-Y63 VanDerWaalsContact O-CE2 3.24Å; P49-Y63 WeakPolarHBondContact O-CE2 3.42Å; P49-Y63 PolarHBondContact O-OH 3.16Å; R51-Y63 WeakPolarHBondContact CA-O 3.4Å; C52-Y63 HydrophobicContact CB-CD1 4.15Å; C52-Y63 HydrophobicContact CB-CE1 3.43Å; C52-Y63 VanDerWaalsContact CB-CE1 3.43Å; C52-Y63 HydrophobicContact CB-CE2 4.06Å; C52-Y63 WeakPolarHBondContact CB-OH 3.49Å; C52-Y63 PolarHBondContact N-O 3.16Å; C52-Y63 VanDerWaalsContact N-O 3.16Å; C52-Y63 PolarHBondContact O-N 3.49Å; L54-Y63 HydrophobicContact CD1-CD1 4.47Å; L54-Y63 HydrophobicContact CD1-CE1 4.12Å; L54-Y63 HydrophobicContact CG-CE1 4.28Å; Y63-I65 HydrophobicContact CD2-CD1 4.23Å; Y63-I65 HydrophobicContact CD2-CG1 3.75Å; Y63-I65 HydrophobicContact CE2-CD1 3.7Å; Y63-I65 HydrophobicContact CE2-CG1 3.71Å; Y63-V70 HydrophobicContact CD2-CG1 4.31Å; Y63-Y71 CarbonylContact C-O 3.49Å; Y63-Y71 WeakPolarHBondContact CA-O 3.24Å; Y63-Y71 WeakPolarHBondContact CB-O 3.34Å; Y63-F85 WeakPolarHBondContact O-CE1 3.29Å
64V95.7Very high94.4Very high4 Ų425.9 Ų25.92%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-124.4132.5170.4178.90000108.4T50 R51 E66 V70 Y71 F85 L88T50-V64 CarbonylContact O-C 3.6Å; T50-V64 VanDerWaalsContact O-CA 3.29Å; T50-V64 WeakPolarHBondContact O-CA 3.47Å; R51-V64 HydrophobicContact CG-CG2 4.29Å; V64-E66 HydrophobicContact CG1-CB 4.48Å; V64-V70 WeakPolarHBondContact O-CA 3.37Å; V64-Y71 PolarHBondContact N-O 2.95Å; V64-Y71 PolarHBondContact O-N 3.35Å; V64-F85 HydrophobicContact CG2-CD1 3.69Å; V64-F85 HydrophobicContact CG2-CE1 3.93Å; V64-L88 HydrophobicContact CG2-CB 3.95Å; V64-L88 HydrophobicContact CG2-CD1 3.91Å
65I95.7Very high94.2Very high14 Ų1425.9 Ų25.97%0.07216%0.16CC..EExtended strand (participates in β ladder)trans-108.1119.8172-53.2180000107.7L10 L44 T50 Y63 V69 V70L10-I65 HydrophobicContact CD1-CD1 4.06Å; L10-I65 HydrophobicContact CD1-CG2 4.2Å; L10-I65 HydrophobicContact CD2-CG2 3.72Å; L10-I65 HydrophobicContact CG-CG2 4.45Å; L44-I65 HydrophobicContact CD1-CD1 4.43Å; L44-I65 HydrophobicContact CD2-CD1 4.36Å; T50-I65 PolarHBondContact O-N 3.14Å; Y63-I65 HydrophobicContact CD2-CD1 4.23Å; Y63-I65 HydrophobicContact CD2-CG1 3.75Å; Y63-I65 HydrophobicContact CE2-CD1 3.7Å; Y63-I65 HydrophobicContact CE2-CG1 3.71Å; I65-V69 WeakPolarHBondContact CA-O 3.46Å; I65-V70 HydrophobicContact CG1-CG1 4.3Å; I65-V70 HydrophobicContact CG1-CG2 4.15Å
66E95.2Very high94.1Very high72 Ų7224.5 Ų24.534%0.33615%0.153SC..EExtended strand (participates in β ladder)trans-145.9131.8-179.5-171.557.7-142.800109.5V64 G68 V69 Q92V64-E66 HydrophobicContact CG1-CB 4.48Å; E66-G68 PolarHBondContact O-N 3.34Å; E66-G68 VanDerWaalsContact O-N 3.11Å; E66-V69 PolarHBondContact N-O 3.15Å; E66-V69 PolarHBondContact O-N 2.86Å; E66-Q92 HydrophobicContact CB-CG 3.81Å; E66-Q92 HydrophobicContact CG-CG 3.98Å
67K94.2Very high94Very high127 Ų12726.8 Ų26.855%0.55217%0.172SC*.THydrogen-bonded Turntrans49.339.6176.9-60.1174.4-175.7172.60114.2V69 H96K67-V69 VanDerWaalsContact C-N 3.31Å; K67-V69 PolarHBondContact O-N 3.31Å; K67-H96 WeakPolarHBondContact CD-CE1 3.37Å; K67-H96 WeakPolarHBondContact CD-ND1 3.26Å; K67-H96 PolarHBondContact NZ-CD2 2.89Å; K67-H96 PolarHBondContact NZ-NE2 3.27Å
68G94.4Very high94.1Very high33 Ų3327.9 Ų27.934%0.3417%0.168SC..THydrogen-bonded Turntrans74.715.617900000114.8L10 E66L10-G68 WeakPolarHBondContact CB-O 3.42Å; L10-G68 PolarHBondContact N-O 3.08Å; E66-G68 PolarHBondContact O-N 3.34Å; E66-G68 VanDerWaalsContact O-N 3.11Å
69V97.3Very high94.1Very high5 Ų524.7 Ų24.73%0.0314%0.144CC..EExtended strand (participates in β ladder)trans-120.4136.8175.1-177.50000109.5I7 L16 I65 E66 K67 Y71 F95 V103I7-V69 HydrophobicContact CG2-CG1 3.46Å; I7-V69 VanDerWaalsContact CG2-CG1 3.46Å; L16-V69 HydrophobicContact CD1-CG1 4.12Å; L16-V69 HydrophobicContact CD1-CG2 4.31Å; I65-V69 WeakPolarHBondContact CA-O 3.46Å; E66-V69 PolarHBondContact N-O 3.15Å; E66-V69 PolarHBondContact O-N 2.86Å; K67-V69 VanDerWaalsContact C-N 3.31Å; K67-V69 PolarHBondContact O-N 3.31Å; V69-Y71 HydrophobicContact CB-CE2 3.71Å; V69-Y71 HydrophobicContact CG1-CD2 4.14Å; V69-Y71 HydrophobicContact CG1-CE1 4.04Å; V69-Y71 HydrophobicContact CG1-CE2 3.53Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.49Å; V69-F95 HydrophobicContact CG1-CE1 4.34Å; V69-V103 HydrophobicContact CG2-CB 4.49Å; V69-V103 HydrophobicContact CG2-CG1 3.77Å; V69-V103 HydrophobicContact CG2-CG2 4.18Å
70V97.3Very high94Very high1 Ų126.9 Ų26.91%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-103.5123.7174.7-169.60000109I7 A8 L10 F41 L44 Y63 V64 I65I7-V70 WeakPolarHBondContact CA-O 3.48Å; A8-V70 PolarHBondContact N-O 3.05Å; A8-V70 PolarHBondContact O-N 3.18Å; L10-V70 HydrophobicContact CB-CG2 4.07Å; L10-V70 HydrophobicContact CD1-CG2 3.65Å; L10-V70 HydrophobicContact CG-CG2 4.48Å; F41-V70 HydrophobicContact CD1-CB 4.09Å; F41-V70 HydrophobicContact CD1-CG1 4.03Å; F41-V70 HydrophobicContact CE1-CB 3.86Å; F41-V70 HydrophobicContact CE1-CG1 3.65Å; L44-V70 HydrophobicContact CD1-CG1 3.67Å; L44-V70 HydrophobicContact CD1-CG2 4.17Å; Y63-V70 HydrophobicContact CD2-CG1 4.31Å; V64-V70 WeakPolarHBondContact O-CA 3.37Å; I65-V70 HydrophobicContact CG1-CG1 4.3Å; I65-V70 HydrophobicContact CG1-CG2 4.15Å
71Y97.4Very high93.7Very high3 Ų330.2 Ų30.21%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-107.3117.3174.8-57-94.9000107.8I7 Y63 V64 V69 L91 Q92 F95I7-Y71 HydrophobicContact CD1-CD1 3.92Å; I7-Y71 HydrophobicContact CD1-CE1 4.05Å; I7-Y71 HydrophobicContact CG1-CD1 3.92Å; I7-Y71 HydrophobicContact CG1-CE1 4.4Å; I7-Y71 HydrophobicContact CG2-CD1 3.98Å; I7-Y71 HydrophobicContact CG2-CE1 3.9Å; Y63-Y71 CarbonylContact C-O 3.49Å; Y63-Y71 WeakPolarHBondContact CA-O 3.24Å; Y63-Y71 WeakPolarHBondContact CB-O 3.34Å; V64-Y71 PolarHBondContact N-O 2.95Å; V64-Y71 PolarHBondContact O-N 3.35Å; V69-Y71 HydrophobicContact CB-CE2 3.71Å; V69-Y71 HydrophobicContact CG1-CD2 4.14Å; V69-Y71 HydrophobicContact CG1-CE1 4.04Å; V69-Y71 HydrophobicContact CG1-CE2 3.53Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.49Å; Y71-L91 HydrophobicContact CD1-CB 4.48Å; Y71-Q92 HydrophobicContact CD1-CB 4.27Å; Y71-Q92 HydrophobicContact CD2-CB 3.99Å; Y71-Q92 HydrophobicContact CD2-CG 3.95Å; Y71-Q92 HydrophobicContact CE1-CB 4.07Å; Y71-Q92 HydrophobicContact CE1-CG 4.48Å; Y71-Q92 HydrophobicContact CE2-CB 3.8Å; Y71-Q92 HydrophobicContact CE2-CG 3.44Å; Y71-Q92 VanDerWaalsContact CE2-CG 3.44Å; Y71-Q92 HydrophobicContact CG-CB 4.22Å; Y71-Q92 PolarHBondContact OH-O 3.37Å; Y71-F95 HydrophobicContact CE1-CB 3.88Å; Y71-F95 HydrophobicContact CE1-CD1 4.08Å; Y71-F95 HydrophobicContact CE1-CG 4.12Å; Y71-F95 WeakPolarHBondContact OH-CD1 3.09Å
72L96.6Very high93.3Very high2 Ų233.2 Ų33.21%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-122.7135.3-173.4-178.975.7000110.1T5 M6 A37 L40 F41 F61 H62T5-L72 CarbonylContact C-O 3.52Å; T5-L72 WeakPolarHBondContact CA-O 3.27Å; M6-L72 PolarHBondContact N-O 3.4Å; M6-L72 PolarHBondContact O-N 3.18Å; A37-L72 HydrophobicContact CB-CD2 3.57Å; L40-L72 HydrophobicContact CD2-CD1 3.78Å; L40-L72 HydrophobicContact CD2-CD2 4.46Å; F41-L72 HydrophobicContact CE1-CB 3.99Å; F41-L72 HydrophobicContact CE1-CD2 4.14Å; F41-L72 HydrophobicContact CE2-CD2 4.14Å; F41-L72 HydrophobicContact CZ-CB 3.75Å; F41-L72 HydrophobicContact CZ-CD2 3.64Å; F41-L72 HydrophobicContact CZ-CG 4.35Å; F61-L72 HydrophobicContact CB-CD1 4.01Å; F61-L72 HydrophobicContact CD1-CD1 3.93Å; F61-L72 HydrophobicContact CD1-CD2 4.06Å; F61-L72 HydrophobicContact CD1-CG 4.18Å; F61-L72 HydrophobicContact CE1-CD2 4.42Å; F61-L72 HydrophobicContact CG-CD1 4.43Å; H62-L72 CarbonylContact O-C 3.54Å; H62-L72 WeakPolarHBondContact O-CA 3.5Å
73V95Very high92.9Very high0 Ų034.4 Ų34.40%019%0.193CC..EExtended strand (participates in β ladder)trans-128.5139.8170.167.80000110.3V2 L4 F61 H62 A84 Y87 L88V2-V73 HydrophobicContact CB-CG2 4.33Å; V2-V73 HydrophobicContact CG1-CG2 3.31Å; V2-V73 HydrophobicContact CG2-CG2 4.14Å; L4-V73 CarbonylContact O-C 3.58Å; L4-V73 WeakPolarHBondContact O-CA 3.44Å; L4-V73 WeakPolarHBondContact O-CG2 3.47Å; F61-V73 CarbonylContact C-O 3.51Å; F61-V73 WeakPolarHBondContact CA-O 3.17Å; H62-V73 HydrophobicContact CB-CG1 3.81Å; H62-V73 PolarHBondContact N-O 3.32Å; H62-V73 PolarHBondContact O-N 3.21Å; V73-A84 HydrophobicContact CG1-CB 4.21Å; V73-Y87 HydrophobicContact CB-CD1 4.28Å; V73-Y87 HydrophobicContact CB-CE1 4.07Å; V73-Y87 HydrophobicContact CG1-CD1 4.48Å; V73-Y87 HydrophobicContact CG2-CD1 4.06Å; V73-Y87 HydrophobicContact CG2-CE1 3.72Å; V73-L88 HydrophobicContact CB-CD2 3.9Å; V73-L88 HydrophobicContact CB-CG 4.44Å; V73-L88 HydrophobicContact CG1-CD1 3.95Å; V73-L88 HydrophobicContact CG1-CD2 3.93Å; V73-L88 HydrophobicContact CG1-CG 3.92Å
74L92.7Very high92.7Very high1 Ų134.1 Ų34.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-103.2130.4168.7-178.469.8000108.8L3 L4 Y33 M59 F61L3-L74 HydrophobicContact CB-CD2 4.24Å; L3-L74 HydrophobicContact CD1-CD2 4.43Å; L3-L74 PolarHBondContact N-O 3.08Å; L4-L74 HydrophobicContact CB-CB 3.88Å; L4-L74 HydrophobicContact CB-CD2 4.25Å; L4-L74 PolarHBondContact O-N 3.33Å; Y33-L74 HydrophobicContact CD1-CD1 4.18Å; Y33-L74 HydrophobicContact CD1-CD2 4.35Å; Y33-L74 HydrophobicContact CD2-CD2 3.95Å; Y33-L74 HydrophobicContact CG-CD1 4.36Å; Y33-L74 HydrophobicContact CG-CD2 3.7Å; M59-L74 HydrophobicContact CB-CD1 3.79Å; F61-L74 HydrophobicContact CD1-CB 4.36Å; F61-L74 HydrophobicContact CD1-CD1 3.89Å; F61-L74 HydrophobicContact CD2-CD1 3.92Å; F61-L74 HydrophobicContact CE1-CB 4.34Å; F61-L74 HydrophobicContact CE1-CD1 3.74Å; F61-L74 HydrophobicContact CE1-CG 4.48Å; F61-L74 HydrophobicContact CE2-CD1 3.76Å; F61-L74 HydrophobicContact CG-CD1 4Å; F61-L74 HydrophobicContact CZ-CD1 3.69Å
75S92.4Very high92.5Very high0 Ų034 Ų340%019%0.191CC..EExtended strand (participates in β ladder)trans-139.1163.4172.252.20000111.6M1 M59 S60 H62M1-S75 WeakPolarHBondContact O-CA 3.33Å; M1-S75 WeakPolarHBondContact O-CB 3.39Å; M59-S75 CarbonylContact C-O 3.45Å; M59-S75 WeakPolarHBondContact CA-O 3.48Å; S60-S75 PolarHBondContact N-O 3.27Å; S60-S75 PolarHBondContact O-N 2.89Å; H62-S75 PolarHBondContact CD2-OG 3.3Å; H62-S75 PolarHBondContact NE2-OG 3.18Å
76E91.4Very high92.2Very high58 Ų5833.6 Ų33.627%0.27119%0.19SC..EExtended strand (participates in β ladder)trans-56.6145.6164.6-68.3171.4176.300110.7M1 M59 S78 F79M1-E76 HydrophobicContact CG-CG 4.4Å; M1-E76 PolarHBondContact N-OE2 2.95Å; M1-E76 PolarHBondContact O-N 3.44Å; M59-E76 HydrophobicContact CE-CG 4.06Å; M59-E76 HydrophobicContact SD-CB 4.33Å; M59-E76 HydrophobicContact SD-CG 3.9Å; E76-S78 PolarHBondContact O-N 3.13Å; E76-S78 VanDerWaalsContact O-N 3.1Å; E76-F79 VanDerWaalsContact O-CB 3.22Å; E76-F79 WeakPolarHBondContact O-CB 3.31Å; E76-F79 PolarHBondContact O-N 3.17Å
77A89.6Confident92.1Very high58 Ų5830.3 Ų30.348%0.47917%0.174SC..THydrogen-bonded Turntrans-59.7-23.4179.100000113.4S58 F79S58-A77 PolarHBondContact O-N 2.92Å; A77-F79 VanDerWaalsContact C-N 3.27Å; A77-F79 PolarHBondContact O-N 2.93Å
78S89.1Confident92.1Very high97 Ų9724.2 Ų24.268%0.67815%0.148SC*.THydrogen-bonded Turntrans-74.4-14.317562.10000113.7E76E76-S78 PolarHBondContact O-N 3.13Å; E76-S78 VanDerWaalsContact O-N 3.1Å
79F89.1Confident92Very high13 Ų1324.8 Ų24.86%0.05714%0.142CC..SBendtrans-71.6131.6-179.1-171.7-106.9000110.4V2 E76 A77 K81 L83 A84V2-F79 HydrophobicContact CG2-CD1 4.2Å; V2-F79 HydrophobicContact CG2-CE1 3.81Å; V2-F79 HydrophobicContact CG2-CE2 4.34Å; V2-F79 HydrophobicContact CG2-CZ 3.88Å; E76-F79 VanDerWaalsContact O-CB 3.22Å; E76-F79 WeakPolarHBondContact O-CB 3.31Å; E76-F79 PolarHBondContact O-N 3.17Å; A77-F79 VanDerWaalsContact C-N 3.27Å; A77-F79 PolarHBondContact O-N 2.93Å; F79-K81 PolarHBondContact O-N 3.4Å; F79-K81 VanDerWaalsContact O-N 3.15Å; F79-L83 HydrophobicContact CE1-CB 3.92Å; F79-L83 HydrophobicContact CZ-CB 3.78Å; F79-L83 HydrophobicContact CZ-CD1 4.43Å; F79-A84 HydrophobicContact CD1-CB 4.06Å; F79-A84 HydrophobicContact CE1-CB 3.94Å
80P88.8Confident91.8Very high63 Ų6327.6 Ų27.641%0.40916%0.156SC..  trans-61.7120.4-176-25.234.8000112.4K82 L83 A84P80-K82 PolarHBondContact O-N 3.43Å; P80-K82 VanDerWaalsContact O-N 3.16Å; P80-L83 HydrophobicContact CB-CB 4.39Å; P80-L83 HydrophobicContact CB-CD1 4.11Å; P80-L83 HydrophobicContact CB-CG 4.11Å; P80-L83 HydrophobicContact CG-CD1 3.97Å; P80-L83 WeakPolarHBondContact O-CB 3.45Å; P80-L83 PolarHBondContact O-N 3.31Å; P80-A84 PolarHBondContact O-N 2.85Å; P80-A84 VanDerWaalsContact O-N 3.17Å
81K88.8Confident91.7Very high75 Ų7527.5 Ų27.533%0.32616%0.156SC..Hα-helixtrans-50.3-43.3177.7-58.9-174.8-178.3-1780111.6F79 L83 A84 F85F79-K81 PolarHBondContact O-N 3.4Å; F79-K81 VanDerWaalsContact O-N 3.15Å; K81-L83 VanDerWaalsContact C-N 3.27Å; K81-L83 PolarHBondContact O-N 3.41Å; K81-A84 WeakPolarHBondContact O-CB 3.24Å; K81-A84 PolarHBondContact O-N 3.3Å; K81-F85 VanDerWaalsContact O-CD2 3.27Å; K81-F85 WeakPolarHBondContact O-CD2 3.47Å; K81-F85 PolarHBondContact O-N 3.42Å
82K86.4Confident91.6Very high64 Ų6429 Ų2928%0.27816%0.163SC..Hα-helixtrans-51.7-44176.3-168.4178.5-173.9174.30112.5P80 A86 N139 L142 V145P80-K82 PolarHBondContact O-N 3.43Å; P80-K82 VanDerWaalsContact O-N 3.16Å; K82-A86 PolarHBondContact O-N 3.16Å; K82-A86 VanDerWaalsContact O-N 3.12Å; K82-N139 PolarHBondContact NZ-OD1 3.43Å; K82-L142 HydrophobicContact CB-CD1 4.48Å; K82-L142 HydrophobicContact CD-CB 4.4Å; K82-L142 HydrophobicContact CD-CD1 4.24Å; K82-L142 VanDerWaalsContact CE-CB 3.47Å; K82-L142 HydrophobicContact CG-CB 4.08Å; K82-L142 HydrophobicContact CG-CD1 3.35Å; K82-L142 HydrophobicContact CG-CG 4.36Å; K82-L142 VanDerWaalsContact O-CD1 3.22Å; K82-L142 WeakPolarHBondContact O-CD1 3.46Å; K82-V145 HydrophobicContact CB-CG2 4.3Å; K82-V145 HydrophobicContact CG-CG2 4.23Å
83L87.9Confident91.5Very high27 Ų2731.5 Ų31.514%0.14118%0.184CC..Hα-helixtrans-73.6-35.3179.1-65.9178.3000112.2F79 P80 K81 F85 Y87F79-L83 HydrophobicContact CE1-CB 3.92Å; F79-L83 HydrophobicContact CZ-CB 3.78Å; F79-L83 HydrophobicContact CZ-CD1 4.43Å; P80-L83 HydrophobicContact CB-CB 4.39Å; P80-L83 HydrophobicContact CB-CD1 4.11Å; P80-L83 HydrophobicContact CB-CG 4.11Å; P80-L83 HydrophobicContact CG-CD1 3.97Å; P80-L83 WeakPolarHBondContact O-CB 3.45Å; P80-L83 PolarHBondContact O-N 3.31Å; K81-L83 VanDerWaalsContact C-N 3.27Å; K81-L83 PolarHBondContact O-N 3.41Å; L83-F85 VanDerWaalsContact C-N 3.35Å; L83-Y87 VanDerWaalsContact O-CB 3.28Å; L83-Y87 WeakPolarHBondContact O-CB 3.23Å; L83-Y87 PolarHBondContact O-N 2.79Å
84A91.6Very high91.6Very high0 Ų033.8 Ų33.80%020%0.195CC..Hα-helixtrans-62.3-43.617600000111.3H62 V73 F79 P80 K81 Y87 L88H62-A84 HydrophobicContact CB-CB 4.19Å; V73-A84 HydrophobicContact CG1-CB 4.21Å; F79-A84 HydrophobicContact CD1-CB 4.06Å; F79-A84 HydrophobicContact CE1-CB 3.94Å; P80-A84 PolarHBondContact O-N 2.85Å; P80-A84 VanDerWaalsContact O-N 3.17Å; K81-A84 WeakPolarHBondContact O-CB 3.24Å; K81-A84 PolarHBondContact O-N 3.3Å; A84-Y87 WeakPolarHBondContact O-CB 3.45Å; A84-Y87 PolarHBondContact O-N 2.69Å; A84-L88 WeakPolarHBondContact O-CG 2.97Å; A84-L88 PolarHBondContact O-N 3.46Å
85F91.9Very high91.8Very high1 Ų133.8 Ų33.80%0.00420%0.195CC..Hα-helixtrans-71.9-42.3179.1-77.8-79.5000113.3R51 H62 Y63 V64 K81 L83 Y87 L88 E89 I148R51-F85 HydrophobicContact CB-CE1 4.04Å; R51-F85 HydrophobicContact CG-CE1 4.43Å; H62-F85 HydrophobicContact CB-CE2 4.1Å; H62-F85 HydrophobicContact CB-CZ 4.03Å; H62-F85 AromaticContact ND1-CE2 3.81Å; Y63-F85 WeakPolarHBondContact O-CE1 3.29Å; V64-F85 HydrophobicContact CG2-CD1 3.69Å; V64-F85 HydrophobicContact CG2-CE1 3.93Å; K81-F85 VanDerWaalsContact O-CD2 3.27Å; K81-F85 WeakPolarHBondContact O-CD2 3.47Å; K81-F85 PolarHBondContact O-N 3.42Å; L83-F85 VanDerWaalsContact C-N 3.35Å; F85-Y87 VanDerWaalsContact C-N 3.27Å; F85-Y87 PolarHBondContact O-N 3.5Å; F85-L88 HydrophobicContact CD1-CD1 4.48Å; F85-L88 PolarHBondContact O-N 2.79Å; F85-L88 VanDerWaalsContact O-N 3.11Å; F85-E89 WeakPolarHBondContact O-CG 3.36Å; F85-E89 PolarHBondContact O-N 3.16Å; F85-I148 HydrophobicContact CD1-CD1 4.09Å; F85-I148 HydrophobicContact CD2-CD1 3.39Å; F85-I148 HydrophobicContact CE1-CD1 4.08Å; F85-I148 HydrophobicContact CE1-CG2 4.35Å; F85-I148 HydrophobicContact CE2-CD1 3.41Å; F85-I148 VanDerWaalsContact CE2-CD1 3.41Å; F85-I148 HydrophobicContact CE2-CG1 4.45Å; F85-I148 HydrophobicContact CE2-CG2 3.76Å; F85-I148 HydrophobicContact CG-CD1 3.77Å; F85-I148 HydrophobicContact CZ-CD1 3.77Å; F85-I148 HydrophobicContact CZ-CG1 4.46Å; F85-I148 HydrophobicContact CZ-CG2 3.5Å
86A89.4Confident92Very high6 Ų636.9 Ų36.95%0.0521%0.209CC..Hα-helixtrans-57.7-42.9172.100000111.9K82 L88 E89 D90 Y126 I138 L142K82-A86 PolarHBondContact O-N 3.16Å; K82-A86 VanDerWaalsContact O-N 3.12Å; A86-L88 VanDerWaalsContact C-N 3.33Å; A86-L88 PolarHBondContact O-N 2.91Å; A86-E89 PolarHBondContact O-N 2.9Å; A86-D90 PolarHBondContact O-N 2.85Å; A86-Y126 HydrophobicContact CB-CE1 3.67Å; A86-I138 HydrophobicContact CB-CD1 4.26Å; A86-I138 HydrophobicContact CB-CG2 4.11Å; A86-L142 HydrophobicContact CB-CD1 3.73Å
87Y92.3Very high92.2Very high2 Ų241.6 Ų41.61%0.00823%0.231CC..Hα-helixtrans-58.1-44.7174.7166.4-110.2000112.3T5 V73 L83 A84 F85 L91 I119 T122 K123 Y126T5-Y87 HydrophobicContact CG2-CE1 4.04Å; T5-Y87 WeakPolarHBondContact CG2-OH 3.46Å; T5-Y87 PolarHBondContact OG1-OH 3.13Å; V73-Y87 HydrophobicContact CB-CD1 4.28Å; V73-Y87 HydrophobicContact CB-CE1 4.07Å; V73-Y87 HydrophobicContact CG1-CD1 4.48Å; V73-Y87 HydrophobicContact CG2-CD1 4.06Å; V73-Y87 HydrophobicContact CG2-CE1 3.72Å; L83-Y87 VanDerWaalsContact O-CB 3.28Å; L83-Y87 WeakPolarHBondContact O-CB 3.23Å; L83-Y87 PolarHBondContact O-N 2.79Å; A84-Y87 WeakPolarHBondContact O-CB 3.45Å; A84-Y87 PolarHBondContact O-N 2.69Å; F85-Y87 VanDerWaalsContact C-N 3.27Å; F85-Y87 PolarHBondContact O-N 3.5Å; Y87-L91 HydrophobicContact CD1-CD1 4.42Å; Y87-L91 HydrophobicContact CD2-CG 4.41Å; Y87-L91 HydrophobicContact CE1-CD1 3.76Å; Y87-L91 HydrophobicContact CE2-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CD2 4.23Å; Y87-L91 HydrophobicContact CE2-CG 4.02Å; Y87-L91 VanDerWaalsContact CZ-CD1 3.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å; Y87-L91 PolarHBondContact O-N 3Å; Y87-L91 VanDerWaalsContact O-N 3.16Å; Y87-I119 VanDerWaalsContact OH-CG2 3.24Å; Y87-I119 WeakPolarHBondContact OH-CG2 3.25Å; Y87-T122 HydrophobicContact CD2-CG2 3.96Å; Y87-T122 HydrophobicContact CE2-CG2 4.16Å; Y87-K123 HydrophobicContact CE2-CB 3.95Å; Y87-Y126 AromaticContact CD2-CD2 3.95Å; Y87-Y126 HydrophobicContact CD2-CD2 3.95Å; Y87-Y126 HydrophobicContact CD2-CE2 4.48Å; Y87-Y126 HydrophobicContact CD2-CG 4.27Å
88L94.4Very high92.5Very high0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-66.6-35.5177.5-70.1177.2000112.7H62 V64 V73 A84 F85 A86 L91 Q92H62-L88 HydrophobicContact CB-CD1 4.2Å; H62-L88 WeakPolarHBondContact O-CD1 3.36Å; V64-L88 HydrophobicContact CG2-CB 3.95Å; V64-L88 HydrophobicContact CG2-CD1 3.91Å; V73-L88 HydrophobicContact CB-CD2 3.9Å; V73-L88 HydrophobicContact CB-CG 4.44Å; V73-L88 HydrophobicContact CG1-CD1 3.95Å; V73-L88 HydrophobicContact CG1-CD2 3.93Å; V73-L88 HydrophobicContact CG1-CG 3.92Å; A84-L88 WeakPolarHBondContact O-CG 2.97Å; A84-L88 PolarHBondContact O-N 3.46Å; F85-L88 HydrophobicContact CD1-CD1 4.48Å; F85-L88 PolarHBondContact O-N 2.79Å; F85-L88 VanDerWaalsContact O-N 3.11Å; A86-L88 VanDerWaalsContact C-N 3.33Å; A86-L88 PolarHBondContact O-N 2.91Å; L88-L91 PolarHBondContact O-N 3.05Å; L88-Q92 VanDerWaalsContact O-CB 3.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.34Å; L88-Q92 PolarHBondContact O-N 3.24Å
89E91.9Very high92.7Very high45 Ų4540.1 Ų40.121%0.2120%0.204CC..Hα-helixtrans-67.9-42.4177.9-73.6177164.100111.6R51 F85 A86 L91 Q92 A93R51-E89 IonicContact CZ-OE1 3.5Å; R51-E89 IonicContact NE-OE1 3.35Å; R51-E89 PolarHBondContact NE-OE1 3.41Å; R51-E89 IonicContact NH2-OE1 2.79Å; R51-E89 PolarHBondContact NH2-OE1 3.05Å; F85-E89 WeakPolarHBondContact O-CG 3.36Å; F85-E89 PolarHBondContact O-N 3.16Å; A86-E89 PolarHBondContact O-N 2.9Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 2.95Å; E89-Q92 PolarHBondContact O-N 2.78Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; E89-A93 WeakPolarHBondContact O-CB 3.37Å; E89-A93 PolarHBondContact O-N 3.16Å
90D93Very high92.9Very high63 Ų6340.3 Ų40.334%0.33721%0.209SC..Hα-helixtrans-59.8-44.7172.6-77.7-3.4000111.6A86 Q92 E94 T122 Y126A86-D90 PolarHBondContact O-N 2.85Å; D90-Q92 VanDerWaalsContact C-N 3.31Å; D90-Q92 PolarHBondContact O-N 2.92Å; D90-E94 PolarHBondContact O-N 3.15Å; D90-T122 HydrophobicContact CB-CG2 4.17Å; D90-Y126 VanDerWaalsContact CG-OH 3.3Å; D90-Y126 WeakPolarHBondContact OD2-CE2 3.08Å; D90-Y126 VanDerWaalsContact OD2-CZ 3.27Å; D90-Y126 PolarHBondContact OD2-OH 2.84Å
91L95.3Very high93.2Very high0 Ų046.8 Ų46.80%023%0.231CC..Hα-helixtrans-63.6-39.1175.5-68.4-173.2000112T5 Y71 Y87 L88 E89 F95 F115 Y118 I119 T122T5-L91 HydrophobicContact CG2-CD1 3.62Å; Y71-L91 HydrophobicContact CD1-CB 4.48Å; Y87-L91 HydrophobicContact CD1-CD1 4.42Å; Y87-L91 HydrophobicContact CD2-CG 4.41Å; Y87-L91 HydrophobicContact CE1-CD1 3.76Å; Y87-L91 HydrophobicContact CE2-CD1 3.86Å; Y87-L91 HydrophobicContact CE2-CD2 4.23Å; Y87-L91 HydrophobicContact CE2-CG 4.02Å; Y87-L91 VanDerWaalsContact CZ-CD1 3.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å; Y87-L91 PolarHBondContact O-N 3Å; Y87-L91 VanDerWaalsContact O-N 3.16Å; L88-L91 PolarHBondContact O-N 3.05Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 2.95Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 2.64Å; L91-F115 HydrophobicContact CD2-CE1 4.2Å; L91-Y118 HydrophobicContact CD2-CD1 3.78Å; L91-Y118 HydrophobicContact CD2-CE1 3.87Å; L91-I119 HydrophobicContact CD1-CG1 4.43Å; L91-I119 HydrophobicContact CD1-CG2 4.46Å; L91-I119 HydrophobicContact CD2-CB 4.46Å; L91-I119 HydrophobicContact CD2-CG1 4.05Å; L91-T122 HydrophobicContact CD2-CG2 4.45Å
92Q95.8Very high93.5Very high33 Ų3349.2 Ų49.215%0.15424%0.241CC..Hα-helixtrans-64.7-48.6-179.7179-77.7-45.500111.2E66 Y71 L88 E89 D90 H96E66-Q92 HydrophobicContact CB-CG 3.81Å; E66-Q92 HydrophobicContact CG-CG 3.98Å; Y71-Q92 HydrophobicContact CD1-CB 4.27Å; Y71-Q92 HydrophobicContact CD2-CB 3.99Å; Y71-Q92 HydrophobicContact CD2-CG 3.95Å; Y71-Q92 HydrophobicContact CE1-CB 4.07Å; Y71-Q92 HydrophobicContact CE1-CG 4.48Å; Y71-Q92 HydrophobicContact CE2-CB 3.8Å; Y71-Q92 HydrophobicContact CE2-CG 3.44Å; Y71-Q92 VanDerWaalsContact CE2-CG 3.44Å; Y71-Q92 HydrophobicContact CG-CB 4.22Å; Y71-Q92 PolarHBondContact OH-O 3.37Å; L88-Q92 VanDerWaalsContact O-CB 3.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.34Å; L88-Q92 PolarHBondContact O-N 3.24Å; E89-Q92 PolarHBondContact O-N 2.78Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; D90-Q92 VanDerWaalsContact C-N 3.31Å; D90-Q92 PolarHBondContact O-N 2.92Å; Q92-H96 WeakPolarHBondContact O-CB 3.41Å; Q92-H96 PolarHBondContact O-N 3.32Å
93A95.3Very high93.9Very high55 Ų5546.5 Ų46.546%0.45523%0.23SC..Hα-helixtrans-59-53.718000000111.2E89 H96 E97E89-A93 WeakPolarHBondContact O-CB 3.37Å; E89-A93 PolarHBondContact O-N 3.16Å; A93-H96 PolarHBondContact O-N 2.79Å; A93-E97 WeakPolarHBondContact O-CB 3.48Å; A93-E97 PolarHBondContact O-N 3.17Å
94E96.1Very high94.2Very high49 Ų4949.6 Ų49.623%0.22925%0.252CS..Hα-helixtrans-64.3-46.6-178.6-172.582.2-147.400112D90 H96 E97 Q98 F115 Y118D90-E94 PolarHBondContact O-N 3.15Å; E94-H96 VanDerWaalsContact C-N 3.28Å; E94-H96 PolarHBondContact O-N 2.82Å; E94-E97 PolarHBondContact O-N 3.49Å; E94-Q98 WeakPolarHBondContact O-CG 3.46Å; E94-Q98 PolarHBondContact O-N 3.41Å; E94-Q98 PolarHBondContact OE1-NE2 3.1Å; E94-F115 HydrophobicContact CB-CE2 4.26Å; E94-F115 HydrophobicContact CB-CZ 4.15Å; E94-F115 HydrophobicContact CG-CE2 3.79Å; E94-F115 HydrophobicContact CG-CZ 4.14Å; E94-Y118 HydrophobicContact CB-CD1 4.35Å; E94-Y118 HydrophobicContact CB-CE1 3.64Å; E94-Y118 HydrophobicContact CB-CE2 4.21Å; E94-Y118 WeakPolarHBondContact CB-OH 3.38Å; E94-Y118 VanDerWaalsContact CD-CE2 3.47Å; E94-Y118 HydrophobicContact CG-CD1 4.09Å; E94-Y118 HydrophobicContact CG-CD2 3.95Å; E94-Y118 HydrophobicContact CG-CE1 3.71Å; E94-Y118 HydrophobicContact CG-CE2 3.52Å; E94-Y118 HydrophobicContact CG-CG 4.2Å; E94-Y118 VanDerWaalsContact OE2-CE2 3.27Å; E94-Y118 WeakPolarHBondContact OE2-CE2 3.35Å; E94-Y118 VanDerWaalsContact OE2-CZ 3.32Å; E94-Y118 PolarHBondContact OE2-OH 3.1Å
95F96.8Very high94.3Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-63.2-39.3-179.5-174.3-92.5000111.2I7 L16 V69 Y71 L91 H99 G100 V103 F112 F115I7-F95 HydrophobicContact CD1-CD2 4Å; I7-F95 HydrophobicContact CD1-CE2 4.43Å; I7-F95 HydrophobicContact CD1-CG 4.33Å; I7-F95 HydrophobicContact CG2-CD1 4.43Å; I7-F95 HydrophobicContact CG2-CE1 4.2Å; I7-F95 HydrophobicContact CG2-CE2 4.44Å; I7-F95 HydrophobicContact CG2-CZ 4.22Å; L16-F95 HydrophobicContact CB-CZ 4.02Å; L16-F95 HydrophobicContact CD1-CE1 3.98Å; L16-F95 HydrophobicContact CD1-CZ 3.89Å; V69-F95 HydrophobicContact CG1-CE1 4.34Å; Y71-F95 HydrophobicContact CE1-CB 3.88Å; Y71-F95 HydrophobicContact CE1-CD1 4.08Å; Y71-F95 HydrophobicContact CE1-CG 4.12Å; Y71-F95 WeakPolarHBondContact OH-CD1 3.09Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 2.64Å; F95-H99 AromaticContact CD2-CD2 3.84Å; F95-H99 HydrophobicContact CE1-CB 4.33Å; F95-H99 HydrophobicContact CE2-CB 4.33Å; F95-H99 AromaticContact CE2-CD2 3.72Å; F95-H99 HydrophobicContact CZ-CB 4.19Å; F95-H99 WeakPolarHBondContact O-CA 3.32Å; F95-H99 WeakPolarHBondContact O-CB 3.36Å; F95-H99 PolarHBondContact O-N 3.12Å; F95-G100 PolarHBondContact O-N 3.08Å; F95-V103 HydrophobicContact CE1-CG2 3.71Å; F95-V103 HydrophobicContact CZ-CG2 4.3Å; F95-F112 HydrophobicContact CE2-CB 3.9Å; F95-F112 HydrophobicContact CE2-CD2 4.23Å; F95-F112 HydrophobicContact CE2-CG 4.07Å; F95-F112 HydrophobicContact CZ-CB 4.35Å; F95-F112 AromaticContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CE2 4.24Å; F95-F112 HydrophobicContact CZ-CG 4.06Å; F95-F115 HydrophobicContact CB-CE1 3.98Å; F95-F115 HydrophobicContact CB-CE2 4.13Å; F95-F115 HydrophobicContact CB-CZ 3.69Å; F95-F115 AromaticContact CD2-CD1 3.73Å; F95-F115 HydrophobicContact CD2-CD1 3.73Å; F95-F115 HydrophobicContact CD2-CD2 4.1Å; F95-F115 AromaticContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE2 4.24Å; F95-F115 AromaticContact CD2-CG 3.85Å; F95-F115 HydrophobicContact CD2-CG 3.85Å; F95-F115 HydrophobicContact CD2-CZ 4.14Å; F95-F115 HydrophobicContact CE2-CD1 4.46Å; F95-F115 HydrophobicContact CE2-CG 4.44Å; F95-F115 HydrophobicContact CG-CE1 4.41Å; F95-F115 HydrophobicContact CG-CZ 4.44Å
96H96.5Very high94.2Very high65 Ų6556 Ų5630%0.30129%0.292SS..Hα-helixtrans-65.9-42.8177.3-177.766.8000111.8K67 Q92 A93 E94 G100K67-H96 WeakPolarHBondContact CD-CE1 3.37Å; K67-H96 WeakPolarHBondContact CD-ND1 3.26Å; K67-H96 PolarHBondContact NZ-CD2 2.89Å; K67-H96 PolarHBondContact NZ-NE2 3.27Å; Q92-H96 WeakPolarHBondContact O-CB 3.41Å; Q92-H96 PolarHBondContact O-N 3.32Å; A93-H96 PolarHBondContact O-N 2.79Å; E94-H96 VanDerWaalsContact C-N 3.28Å; E94-H96 PolarHBondContact O-N 2.82Å; H96-G100 VanDerWaalsContact O-CA 3.3Å; H96-G100 WeakPolarHBondContact O-CA 3.24Å; H96-G100 PolarHBondContact O-N 3.03Å
97E96.8Very high94Very high157 Ų15760.7 Ų60.773%0.73432%0.323SS*.Hα-helixtrans-60.3-48.9177.4-176173.7179.100111.6A93 E94A93-E97 WeakPolarHBondContact O-CB 3.48Å; A93-E97 PolarHBondContact O-N 3.17Å; E94-E97 PolarHBondContact O-N 3.49Å
98Q94.5Very high93.7Very high95 Ų9569.7 Ų69.744%0.44436%0.357SS..Hα-helixtrans-77.6-35-176.5-63.4-16712.500113.8E94E94-Q98 WeakPolarHBondContact O-CG 3.46Å; E94-Q98 PolarHBondContact O-N 3.41Å; E94-Q98 PolarHBondContact OE1-NE2 3.1Å
99H94.8Very high93.3Very high30 Ų3073 Ų7314%0.13938%0.379CS..Hα-helixtrans-132.1-9.5-163.7-58.8-33.5000115.1F95 K101 K102 V103 F112F95-H99 AromaticContact CD2-CD2 3.84Å; F95-H99 HydrophobicContact CE1-CB 4.33Å; F95-H99 HydrophobicContact CE2-CB 4.33Å; F95-H99 AromaticContact CE2-CD2 3.72Å; F95-H99 HydrophobicContact CZ-CB 4.19Å; F95-H99 WeakPolarHBondContact O-CA 3.32Å; F95-H99 WeakPolarHBondContact O-CB 3.36Å; F95-H99 PolarHBondContact O-N 3.12Å; H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact O-N 2.79Å; H99-K101 VanDerWaalsContact O-N 3.08Å; H99-K102 PolarHBondContact O-N 2.74Å; H99-V103 PolarHBondContact O-N 3.16Å; H99-F112 HydrophobicContact CB-CD1 3.86Å; H99-F112 HydrophobicContact CB-CE1 3.68Å; H99-F112 HydrophobicContact CB-CZ 4.21Å; H99-F112 AromaticContact CD2-CD1 3.57Å; H99-F112 AromaticContact CG-CD1 3.45Å; H99-F112 VanDerWaalsContact CG-CD1 3.45Å; H99-F112 AromaticContact CG-CE1 3.7Å; H99-F112 AromaticContact ND1-CD1 3.8Å; H99-F112 AromaticContact ND1-CE1 3.98Å; H99-F112 AromaticContact NE2-CD1 3.93Å
100G93.4Very high93.1Very high17 Ų1774.4 Ų74.418%0.17538%0.383CS..THydrogen-bonded Turntrans-51.6-41-169.700000114.8F95 H96 K102F95-G100 PolarHBondContact O-N 3.08Å; H96-G100 VanDerWaalsContact O-CA 3.3Å; H96-G100 WeakPolarHBondContact O-CA 3.24Å; H96-G100 PolarHBondContact O-N 3.03Å; G100-K102 VanDerWaalsContact C-N 3.33Å; G100-K102 PolarHBondContact O-N 3.03Å
101K94.7Very high92.5Very high198 Ų19873.5 Ų73.586%0.86138%0.382SS*.THydrogen-bonded Turntrans-70.3-24.5178.9-62.8-179-177.41760114H99H99-K101 VanDerWaalsContact C-N 3.29Å; H99-K101 PolarHBondContact O-N 2.79Å; H99-K101 VanDerWaalsContact O-N 3.08Å
102K94.7Very high92.2Very high126 Ų12674.3 Ų74.355%0.54839%0.385SS..THydrogen-bonded Turntrans-90.5-18.9-177.7-64.1178.8-179.6174.70112.7H99 G100 T105 V106 F112H99-K102 PolarHBondContact O-N 2.74Å; G100-K102 VanDerWaalsContact C-N 3.33Å; G100-K102 PolarHBondContact O-N 3.03Å; K102-T105 PolarHBondContact O-N 3.44Å; K102-T105 VanDerWaalsContact O-N 3.1Å; K102-T105 PolarHBondContact O-OG1 3.35Å; K102-V106 PolarHBondContact O-N 2.85Å; K102-F112 HydrophobicContact CB-CE1 4.15Å; K102-F112 HydrophobicContact CB-CZ 3.99Å
103V95.2Very high91.6Very high8 Ų878 Ų785%0.04841%0.405CS..G310 helixtrans-51.7-47.2179.21740000113.9R9 L16 V69 F95 H99 T105 V106 F112R9-V103 HydrophobicContact CG-CG1 4.27Å; R9-V103 PolarHBondContact NH1-O 2.66Å; L16-V103 HydrophobicContact CD1-CG1 3.89Å; L16-V103 HydrophobicContact CD1-CG2 4.21Å; V69-V103 HydrophobicContact CG2-CB 4.49Å; V69-V103 HydrophobicContact CG2-CG1 3.77Å; V69-V103 HydrophobicContact CG2-CG2 4.18Å; F95-V103 HydrophobicContact CE1-CG2 3.71Å; F95-V103 HydrophobicContact CZ-CG2 4.3Å; H99-V103 PolarHBondContact O-N 3.16Å; V103-T105 VanDerWaalsContact C-N 3.26Å; V103-T105 PolarHBondContact O-N 2.95Å; V103-V106 VanDerWaalsContact O-CG2 3.25Å; V103-V106 WeakPolarHBondContact O-CG2 3.27Å; V103-F112 HydrophobicContact CG2-CE2 4.43Å
104P93.7Very high91Very high92 Ų9283.3 Ų83.360%0.59742%0.42SS*.G310 helixtrans-70.9-21.9-17926.6-34.3000113.1R9R9-P104 PolarHBondContact NH1-O 2.86Å
105T93.8Very high90.6Very high110 Ų11081.2 Ų81.268%0.67541%0.41SS*.G310 helixtrans-87.4-19.3-174.861.60000113.9K102 V103K102-T105 PolarHBondContact O-N 3.44Å; K102-T105 VanDerWaalsContact O-N 3.1Å; K102-T105 PolarHBondContact O-OG1 3.35Å; V103-T105 VanDerWaalsContact C-N 3.26Å; V103-T105 PolarHBondContact O-N 2.95Å
106V89.4Confident90Very high26 Ų2683.3 Ų83.316%0.15842%0.421CS..  trans-79.2143-177.8-66.20000111.7R9 L14 L16 K102 V103 F112R9-V106 PolarHBondContact NH1-O 3.28Å; R9-V106 PolarHBondContact NH2-O 2.99Å; R9-V106 VanDerWaalsContact NH2-O 3.16Å; L14-V106 HydrophobicContact CD2-CG2 4.37Å; L16-V106 HydrophobicContact CD2-CG2 4.03Å; K102-V106 PolarHBondContact O-N 2.85Å; V103-V106 VanDerWaalsContact O-CG2 3.25Å; V103-V106 WeakPolarHBondContact O-CG2 3.27Å; V106-F112 HydrophobicContact CG1-CE2 4.14Å; V106-F112 HydrophobicContact CG1-CZ 3.84Å; V106-F112 HydrophobicContact CG2-CE2 3.8Å; V106-F112 HydrophobicContact CG2-CZ 4.22Å
107S86.2Confident89.5Confident103 Ų10385.3 Ų85.372%0.7244%0.439SS*.  trans-122.2-17.7175.656.60000112.8
108R84.4Confident89.1Confident191 Ų19180.7 Ų80.772%0.72142%0.415SS*.SBendtrans-82.2130.4-179.3-173.7-178177.9-177.2-1.1110.4Y110 S111R108-Y110 PolarHBondContact O-N 2.9Å; R108-S111 PolarHBondContact O-N 3.33Å; R108-S111 PolarHBondContact O-OG 2.8Å
109P87.1Confident88.8Confident70 Ų7076.2 Ų76.246%0.45539%0.394SS..THydrogen-bonded Turntrans-57.8139.8170.6-24.433.7000111.5L14 S111L14-P109 HydrophobicContact CD1-CB 4.28Å; L14-P109 HydrophobicContact CD1-CG 3.91Å; P109-S111 VanDerWaalsContact C-N 3.34Å; P109-S111 PolarHBondContact O-N 2.96Å
110Y86.6Confident88.5Confident75 Ų7578.7 Ų78.729%0.29441%0.406SS..THydrogen-bonded Turntrans57.542.5-177.9-51.6-79.9000113.5P15 L16 A18 R108 F112 I113P15-Y110 HydrophobicContact CB-CD1 4.04Å; P15-Y110 HydrophobicContact CB-CD2 4.46Å; P15-Y110 HydrophobicContact CB-CE1 3.66Å; P15-Y110 HydrophobicContact CB-CE2 4.13Å; P15-Y110 HydrophobicContact CB-CG 4.42Å; P15-Y110 PolarHBondContact O-N 3.42Å; L16-Y110 CarbonylContact O-C 3.58Å; L16-Y110 VanDerWaalsContact O-CA 3.31Å; L16-Y110 WeakPolarHBondContact O-CA 3.22Å; A18-Y110 HydrophobicContact CB-CE1 3.89Å; R108-Y110 PolarHBondContact O-N 2.9Å; Y110-F112 PolarHBondContact O-N 3.27Å; Y110-F112 VanDerWaalsContact O-N 3.1Å; Y110-I113 HydrophobicContact CG-CG2 4.46Å; Y110-I113 WeakPolarHBondContact O-CG2 3.29Å; Y110-I113 PolarHBondContact O-N 3.3Å
111S82.1Confident88.3Confident44 Ų4485 Ų8531%0.30843%0.428SS..THydrogen-bonded Turntrans-62.2-14.8176.6-70.60000113.8R108 P109R108-S111 PolarHBondContact O-N 3.33Å; R108-S111 PolarHBondContact O-OG 2.8Å; P109-S111 VanDerWaalsContact C-N 3.34Å; P109-S111 PolarHBondContact O-N 2.96Å
112F88.2Confident88.1Confident16 Ų1676.2 Ų76.27%0.0739%0.391CS..THydrogen-bonded Turntrans-122.737.5-177.4-51.7-79.5000111.9L16 A17 F95 H99 K102 V103 V106 Y110 E114 F115L16-F112 HydrophobicContact CB-CD2 3.94Å; L16-F112 HydrophobicContact CD2-CD2 4.16Å; L16-F112 HydrophobicContact CD2-CE2 4.02Å; L16-F112 HydrophobicContact CG-CD2 4.5Å; L16-F112 PolarHBondContact O-N 2.75Å; A17-F112 WeakPolarHBondContact CB-O 3.15Å; F95-F112 HydrophobicContact CE2-CB 3.9Å; F95-F112 HydrophobicContact CE2-CD2 4.23Å; F95-F112 HydrophobicContact CE2-CG 4.07Å; F95-F112 HydrophobicContact CZ-CB 4.35Å; F95-F112 AromaticContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CD2 3.8Å; F95-F112 HydrophobicContact CZ-CE2 4.24Å; F95-F112 HydrophobicContact CZ-CG 4.06Å; H99-F112 HydrophobicContact CB-CD1 3.86Å; H99-F112 HydrophobicContact CB-CE1 3.68Å; H99-F112 HydrophobicContact CB-CZ 4.21Å; H99-F112 AromaticContact CD2-CD1 3.57Å; H99-F112 AromaticContact CG-CD1 3.45Å; H99-F112 VanDerWaalsContact CG-CD1 3.45Å; H99-F112 AromaticContact CG-CE1 3.7Å; H99-F112 AromaticContact ND1-CD1 3.8Å; H99-F112 AromaticContact ND1-CE1 3.98Å; H99-F112 AromaticContact NE2-CD1 3.93Å; K102-F112 HydrophobicContact CB-CE1 4.15Å; K102-F112 HydrophobicContact CB-CZ 3.99Å; V103-F112 HydrophobicContact CG2-CE2 4.43Å; V106-F112 HydrophobicContact CG1-CE2 4.14Å; V106-F112 HydrophobicContact CG1-CZ 3.84Å; V106-F112 HydrophobicContact CG2-CE2 3.8Å; V106-F112 HydrophobicContact CG2-CZ 4.22Å; Y110-F112 PolarHBondContact O-N 3.27Å; Y110-F112 VanDerWaalsContact O-N 3.1Å; F112-E114 PolarHBondContact O-N 3.02Å; F112-E114 VanDerWaalsContact O-N 3.12Å; F112-F115 VanDerWaalsContact O-CB 3.29Å; F112-F115 WeakPolarHBondContact O-CB 3.46Å; F112-F115 PolarHBondContact O-N 3.22Å; F112-F115 VanDerWaalsContact O-N 3.08Å
113I84.4Confident87.9Confident112 Ų11270.5 Ų70.557%0.57437%0.366SS*.G310 helixtrans-52.4-31.7178.147.9173.2000113.9Y110 F115 D116Y110-I113 HydrophobicContact CG-CG2 4.46Å; Y110-I113 WeakPolarHBondContact O-CG2 3.29Å; Y110-I113 PolarHBondContact O-N 3.3Å; I113-F115 PolarHBondContact O-N 2.84Å; I113-F115 VanDerWaalsContact O-N 3.17Å; I113-D116 VanDerWaalsContact O-CB 3.23Å; I113-D116 WeakPolarHBondContact O-CB 3.19Å; I113-D116 PolarHBondContact O-N 3.35Å
114E80.9Confident87.5Confident166 Ų16676.8 Ų76.878%0.77639%0.393SS*.G310 helixtrans-61.9-25.3-178.3-64.1177.317600112.4F112 D116 T117F112-E114 PolarHBondContact O-N 3.02Å; F112-E114 VanDerWaalsContact O-N 3.12Å; E114-D116 PolarHBondContact O-N 2.85Å; E114-T117 PolarHBondContact O-N 2.76Å
115F88.1Confident87.2Confident4 Ų474.7 Ų74.72%0.01838%0.38CS..G310 helixtrans-65-16.5176.4-163.5-104.3000113I7 A17 L91 E94 F95 F112 I113 T117 Y118 I119I7-F115 HydrophobicContact CD1-CD1 3.87Å; I7-F115 HydrophobicContact CD1-CE1 3.77Å; A17-F115 HydrophobicContact CB-CB 4.29Å; L91-F115 HydrophobicContact CD2-CE1 4.2Å; E94-F115 HydrophobicContact CB-CE2 4.26Å; E94-F115 HydrophobicContact CB-CZ 4.15Å; E94-F115 HydrophobicContact CG-CE2 3.79Å; E94-F115 HydrophobicContact CG-CZ 4.14Å; F95-F115 HydrophobicContact CB-CE1 3.98Å; F95-F115 HydrophobicContact CB-CE2 4.13Å; F95-F115 HydrophobicContact CB-CZ 3.69Å; F95-F115 AromaticContact CD2-CD1 3.73Å; F95-F115 HydrophobicContact CD2-CD1 3.73Å; F95-F115 HydrophobicContact CD2-CD2 4.1Å; F95-F115 AromaticContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE1 3.88Å; F95-F115 HydrophobicContact CD2-CE2 4.24Å; F95-F115 AromaticContact CD2-CG 3.85Å; F95-F115 HydrophobicContact CD2-CG 3.85Å; F95-F115 HydrophobicContact CD2-CZ 4.14Å; F95-F115 HydrophobicContact CE2-CD1 4.46Å; F95-F115 HydrophobicContact CE2-CG 4.44Å; F95-F115 HydrophobicContact CG-CE1 4.41Å; F95-F115 HydrophobicContact CG-CZ 4.44Å; F112-F115 VanDerWaalsContact O-CB 3.29Å; F112-F115 WeakPolarHBondContact O-CB 3.46Å; F112-F115 PolarHBondContact O-N 3.22Å; F112-F115 VanDerWaalsContact O-N 3.08Å; I113-F115 PolarHBondContact O-N 2.84Å; I113-F115 VanDerWaalsContact O-N 3.17Å; F115-T117 PolarHBondContact O-N 2.88Å; F115-Y118 HydrophobicContact CE1-CD1 4.13Å; F115-Y118 AromaticContact CE2-CD1 3.95Å; F115-Y118 HydrophobicContact CE2-CD1 3.95Å; F115-Y118 HydrophobicContact CE2-CG 4.11Å; F115-Y118 AromaticContact CZ-CD1 3.54Å; F115-Y118 HydrophobicContact CZ-CD1 3.54Å; F115-Y118 HydrophobicContact CZ-CE1 4.13Å; F115-Y118 HydrophobicContact CZ-CG 4.15Å; F115-Y118 WeakPolarHBondContact O-CB 3.34Å; F115-Y118 PolarHBondContact O-N 2.86Å; F115-I119 HydrophobicContact CD1-CD1 3.83Å; F115-I119 HydrophobicContact CD1-CG1 3.61Å; F115-I119 HydrophobicContact CE1-CD1 4.33Å; F115-I119 HydrophobicContact CE1-CG1 3.78Å; F115-I119 WeakPolarHBondContact O-CG1 3.22Å; F115-I119 PolarHBondContact O-N 3.26Å
116D85.1Confident86.7Confident44 Ų4469.7 Ų69.724%0.23535%0.349CS..Hα-helixtrans-53.8-36.5173.5-179.433.6000112.3S19 I113 E114 Y118 I119 Q120S19-D116 WeakPolarHBondContact CA-OD1 3.38Å; S19-D116 WeakPolarHBondContact CB-OD1 3.35Å; S19-D116 PolarHBondContact OG-OD1 3.37Å; I113-D116 VanDerWaalsContact O-CB 3.23Å; I113-D116 WeakPolarHBondContact O-CB 3.19Å; I113-D116 PolarHBondContact O-N 3.35Å; E114-D116 PolarHBondContact O-N 2.85Å; D116-Y118 VanDerWaalsContact C-N 3.29Å; D116-Y118 PolarHBondContact O-N 2.96Å; D116-I119 PolarHBondContact O-N 2.86Å; D116-I119 VanDerWaalsContact O-N 3.15Å; D116-Q120 VanDerWaalsContact CG-NE2 3.29Å; D116-Q120 WeakPolarHBondContact O-CG 3.42Å; D116-Q120 PolarHBondContact O-N 2.92Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.4Å; D116-Q120 PolarHBondContact OD1-NE2 3.5Å; D116-Q120 VanDerWaalsContact OD1-NE2 3.16Å; D116-Q120 PolarHBondContact OD2-NE2 3.39Å
117T85.2Confident86.4Confident108 Ų10871 Ų7166%0.66336%0.355SS*.Hα-helixtrans-58.6-42.8176.8-56.50000111.9E114 F115 K121E114-T117 PolarHBondContact O-N 2.76Å; F115-T117 PolarHBondContact O-N 2.88Å; T117-K121 WeakPolarHBondContact O-CB 3.42Å; T117-K121 PolarHBondContact O-N 2.99Å; T117-K121 VanDerWaalsContact O-N 3.14Å
118Y89.2Confident86.1Confident60 Ų6070 Ų7024%0.23534%0.341CS..Hα-helixtrans-68.3-46.1175.9-173.6-90.9000110.8L91 E94 F115 D116 Q120 K121 T122L91-Y118 HydrophobicContact CD2-CD1 3.78Å; L91-Y118 HydrophobicContact CD2-CE1 3.87Å; E94-Y118 HydrophobicContact CB-CD1 4.35Å; E94-Y118 HydrophobicContact CB-CE1 3.64Å; E94-Y118 HydrophobicContact CB-CE2 4.21Å; E94-Y118 WeakPolarHBondContact CB-OH 3.38Å; E94-Y118 VanDerWaalsContact CD-CE2 3.47Å; E94-Y118 HydrophobicContact CG-CD1 4.09Å; E94-Y118 HydrophobicContact CG-CD2 3.95Å; E94-Y118 HydrophobicContact CG-CE1 3.71Å; E94-Y118 HydrophobicContact CG-CE2 3.52Å; E94-Y118 HydrophobicContact CG-CG 4.2Å; E94-Y118 VanDerWaalsContact OE2-CE2 3.27Å; E94-Y118 WeakPolarHBondContact OE2-CE2 3.35Å; E94-Y118 VanDerWaalsContact OE2-CZ 3.32Å; E94-Y118 PolarHBondContact OE2-OH 3.1Å; F115-Y118 HydrophobicContact CE1-CD1 4.13Å; F115-Y118 AromaticContact CE2-CD1 3.95Å; F115-Y118 HydrophobicContact CE2-CD1 3.95Å; F115-Y118 HydrophobicContact CE2-CG 4.11Å; F115-Y118 AromaticContact CZ-CD1 3.54Å; F115-Y118 HydrophobicContact CZ-CD1 3.54Å; F115-Y118 HydrophobicContact CZ-CE1 4.13Å; F115-Y118 HydrophobicContact CZ-CG 4.15Å; F115-Y118 WeakPolarHBondContact O-CB 3.34Å; F115-Y118 PolarHBondContact O-N 2.86Å; D116-Y118 VanDerWaalsContact C-N 3.29Å; D116-Y118 PolarHBondContact O-N 2.96Å; Y118-Q120 VanDerWaalsContact C-N 3.31Å; Y118-Q120 PolarHBondContact O-N 3.48Å; Y118-K121 PolarHBondContact O-N 3.46Å; Y118-K121 VanDerWaalsContact O-N 3.16Å; Y118-T122 VanDerWaalsContact CE1-OG1 3.27Å; Y118-T122 WeakPolarHBondContact CE1-OG1 3.44Å; Y118-T122 WeakPolarHBondContact O-CB 3.22Å; Y118-T122 PolarHBondContact O-N 2.9Å; Y118-T122 PolarHBondContact O-OG1 3.03Å; Y118-T122 VanDerWaalsContact O-OG1 3.11Å
119I88.6Confident85.3Confident0 Ų064.6 Ų64.60%033%0.333CS..Hα-helixtrans-53.5-49.1177.6-63.2173.9000110.7T5 I7 A17 Y87 L91 F115 D116 K123T5-I119 HydrophobicContact CG2-CG2 3.92Å; I7-I119 HydrophobicContact CD1-CD1 4.16Å; A17-I119 HydrophobicContact CB-CD1 4.32Å; Y87-I119 VanDerWaalsContact OH-CG2 3.24Å; Y87-I119 WeakPolarHBondContact OH-CG2 3.25Å; L91-I119 HydrophobicContact CD1-CG1 4.43Å; L91-I119 HydrophobicContact CD1-CG2 4.46Å; L91-I119 HydrophobicContact CD2-CB 4.46Å; L91-I119 HydrophobicContact CD2-CG1 4.05Å; F115-I119 HydrophobicContact CD1-CD1 3.83Å; F115-I119 HydrophobicContact CD1-CG1 3.61Å; F115-I119 HydrophobicContact CE1-CD1 4.33Å; F115-I119 HydrophobicContact CE1-CG1 3.78Å; F115-I119 WeakPolarHBondContact O-CG1 3.22Å; F115-I119 PolarHBondContact O-N 3.26Å; D116-I119 PolarHBondContact O-N 2.86Å; D116-I119 VanDerWaalsContact O-N 3.15Å; I119-K123 WeakPolarHBondContact O-CB 3.22Å; I119-K123 PolarHBondContact O-N 2.89Å
120Q87.8Confident84.3Confident83 Ų8370.2 Ų70.239%0.38835%0.345SS..Hα-helixtrans-64.6-41.9-179.8-68.3-177.826.900112.6S19 D116 Y118 K124S19-Q120 WeakPolarHBondContact OG-CG 3.47Å; D116-Q120 VanDerWaalsContact CG-NE2 3.29Å; D116-Q120 WeakPolarHBondContact O-CG 3.42Å; D116-Q120 PolarHBondContact O-N 2.92Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.4Å; D116-Q120 PolarHBondContact OD1-NE2 3.5Å; D116-Q120 VanDerWaalsContact OD1-NE2 3.16Å; D116-Q120 PolarHBondContact OD2-NE2 3.39Å; Y118-Q120 VanDerWaalsContact C-N 3.31Å; Y118-Q120 PolarHBondContact O-N 3.48Å; Q120-K124 WeakPolarHBondContact O-CG 3.48Å; Q120-K124 PolarHBondContact O-N 3.24Å; Q120-K124 VanDerWaalsContact O-N 3.08Å
121K89.8Confident83.1Confident150 Ų15067.9 Ų67.965%0.65234%0.341SS*.Hα-helixtrans-62.5-50.9178.1-177.3-176.4175.3-172.20110.9T117 Y118 K124 S125T117-K121 WeakPolarHBondContact O-CB 3.42Å; T117-K121 PolarHBondContact O-N 2.99Å; T117-K121 VanDerWaalsContact O-N 3.14Å; Y118-K121 PolarHBondContact O-N 3.46Å; Y118-K121 VanDerWaalsContact O-N 3.16Å; K121-K124 PolarHBondContact O-N 3.09Å; K121-S125 PolarHBondContact O-N 2.88Å; K121-S125 PolarHBondContact O-OG 2.85Å
122T90.4Very high82.2Confident13 Ų1369.4 Ų69.48%0.0834%0.34CS..Hα-helixtrans-64.8-44.3-179.8-54.60000110.4Y87 D90 L91 Y118 K124 S125 Y126Y87-T122 HydrophobicContact CD2-CG2 3.96Å; Y87-T122 HydrophobicContact CE2-CG2 4.16Å; D90-T122 HydrophobicContact CB-CG2 4.17Å; L91-T122 HydrophobicContact CD2-CG2 4.45Å; Y118-T122 VanDerWaalsContact CE1-OG1 3.27Å; Y118-T122 WeakPolarHBondContact CE1-OG1 3.44Å; Y118-T122 WeakPolarHBondContact O-CB 3.22Å; Y118-T122 PolarHBondContact O-N 2.9Å; Y118-T122 PolarHBondContact O-OG1 3.03Å; Y118-T122 VanDerWaalsContact O-OG1 3.11Å; T122-K124 VanDerWaalsContact C-N 3.31Å; T122-K124 PolarHBondContact O-N 3.07Å; T122-S125 WeakPolarHBondContact O-CB 3.43Å; T122-S125 PolarHBondContact O-N 3.03Å; T122-Y126 HydrophobicContact CG2-CD2 3.94Å; T122-Y126 HydrophobicContact CG2-CE2 3.82Å; T122-Y126 WeakPolarHBondContact O-CD2 3.38Å; T122-Y126 PolarHBondContact O-N 2.65Å
123K89.3Confident80.9Confident5 Ų578 Ų782%0.02237%0.372CS..Hα-helixtrans-53-46.1175.3-178.7-173.3-64175.60112.1V2 S19 Y87 I119 S125 Y126 I127V2-K123 HydrophobicContact CG1-CD 4.24Å; V2-K123 HydrophobicContact CG1-CG 4.28Å; S19-K123 PolarHBondContact O-NZ 3.44Å; S19-K123 PolarHBondContact OG-NZ 2.89Å; Y87-K123 HydrophobicContact CE2-CB 3.95Å; I119-K123 WeakPolarHBondContact O-CB 3.22Å; I119-K123 PolarHBondContact O-N 2.89Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 3.47Å; K123-Y126 PolarHBondContact O-N 3.01Å; K123-I127 HydrophobicContact CD-CD1 4.14Å; K123-I127 HydrophobicContact CG-CD1 3.59Å; K123-I127 HydrophobicContact CG-CG1 4.29Å; K123-I127 WeakPolarHBondContact O-CG1 3.46Å; K123-I127 PolarHBondContact O-N 3.15Å
124K87.6Confident79.5Confident140 Ų14079.7 Ų79.761%0.60938%0.382SS*.Hα-helixtrans-59-42.4177.8-77178.2-179.7178.50112.1Q120 K121 T122 Y126 I127 D128Q120-K124 WeakPolarHBondContact O-CG 3.48Å; Q120-K124 PolarHBondContact O-N 3.24Å; Q120-K124 VanDerWaalsContact O-N 3.08Å; K121-K124 PolarHBondContact O-N 3.09Å; T122-K124 VanDerWaalsContact C-N 3.31Å; T122-K124 PolarHBondContact O-N 3.07Å; K124-Y126 VanDerWaalsContact C-N 3.29Å; K124-Y126 PolarHBondContact O-N 3.3Å; K124-I127 PolarHBondContact O-N 3.46Å; K124-D128 WeakPolarHBondContact O-CB 3.39Å; K124-D128 PolarHBondContact O-N 3.42Å
125S86.4Confident78.6Confident48 Ų4874 Ų7434%0.33636%0.357SS..Hα-helixtrans-61.9-34.3177.5-55.10000113.2K121 T122 K123 A131K121-S125 PolarHBondContact O-N 2.88Å; K121-S125 PolarHBondContact O-OG 2.85Å; T122-S125 WeakPolarHBondContact O-CB 3.43Å; T122-S125 PolarHBondContact O-N 3.03Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 3.47Å; S125-A131 WeakPolarHBondContact O-CB 3.4Å
126Y84.6Confident77Confident6 Ų676.8 Ų76.82%0.02439%0.386CS..Hα-helixtrans-83.7-27.6178.6-82.4-90.6000113.5A86 Y87 D90 T122 K123 K124 R132 L135 I138A86-Y126 HydrophobicContact CB-CE1 3.67Å; Y87-Y126 AromaticContact CD2-CD2 3.95Å; Y87-Y126 HydrophobicContact CD2-CD2 3.95Å; Y87-Y126 HydrophobicContact CD2-CE2 4.48Å; Y87-Y126 HydrophobicContact CD2-CG 4.27Å; D90-Y126 VanDerWaalsContact CG-OH 3.3Å; D90-Y126 WeakPolarHBondContact OD2-CE2 3.08Å; D90-Y126 VanDerWaalsContact OD2-CZ 3.27Å; D90-Y126 PolarHBondContact OD2-OH 2.84Å; T122-Y126 HydrophobicContact CG2-CD2 3.94Å; T122-Y126 HydrophobicContact CG2-CE2 3.82Å; T122-Y126 WeakPolarHBondContact O-CD2 3.38Å; T122-Y126 PolarHBondContact O-N 2.65Å; K123-Y126 PolarHBondContact O-N 3.01Å; K124-Y126 VanDerWaalsContact C-N 3.29Å; K124-Y126 PolarHBondContact O-N 3.3Å; Y126-R132 PolarHBondContact O-NE 2.82Å; Y126-R132 PolarHBondContact O-NH2 3.2Å; Y126-L135 HydrophobicContact CE1-CD1 4.34Å; Y126-I138 HydrophobicContact CE1-CD1 3.79Å
127I83.1Confident75.4Confident53 Ų5378.9 Ų78.927%0.27241%0.405SS..Hα-helixtrans-81.3-37.8176.5-63.8173.6000111.4V2 K123 K124 S129 R132V2-I127 HydrophobicContact CB-CD1 4.1Å; V2-I127 HydrophobicContact CB-CG1 4.39Å; K123-I127 HydrophobicContact CD-CD1 4.14Å; K123-I127 HydrophobicContact CG-CD1 3.59Å; K123-I127 HydrophobicContact CG-CG1 4.29Å; K123-I127 WeakPolarHBondContact O-CG1 3.46Å; K123-I127 PolarHBondContact O-N 3.15Å; K124-I127 PolarHBondContact O-N 3.46Å; I127-S129 PolarHBondContact O-N 2.87Å; I127-R132 PolarHBondContact O-NH2 3.23Å
128D79.4Confident74Confident81 Ų8175.4 Ų75.443%0.43338%0.382SS..  trans-76112.9-177.3-173.8-7.5000112.1K124 R130 A131 R132K124-D128 WeakPolarHBondContact O-CB 3.39Å; K124-D128 PolarHBondContact O-N 3.42Å; D128-R130 PolarHBondContact O-N 3.44Å; D128-R130 VanDerWaalsContact O-N 3.08Å; D128-R130 WeakPolarHBondContact OD1-CB 3.36Å; D128-R130 PolarHBondContact OD1-N 3.21Å; D128-A131 HydrophobicContact CB-CB 4.04Å; D128-A131 PolarHBondContact O-N 2.82Å; D128-R132 WeakPolarHBondContact O-CG 3.4Å; D128-R132 PolarHBondContact O-N 2.89Å
129S68.2Low72.1Confident78 Ų7878.2 Ų78.255%0.54540%0.401SS..Hα-helixtrans-54.9-25.9177.2-59.60000114I127I127-S129 PolarHBondContact O-N 2.87Å
130R64.5Low70.3Confident188 Ų18883.3 Ų83.371%0.70943%0.432SS*.Hα-helixtrans-75.6-43.3175.4-63.3-176.7-174.3-170.43.1111.5D128 R132 R133D128-R130 PolarHBondContact O-N 3.44Å; D128-R130 VanDerWaalsContact O-N 3.08Å; D128-R130 WeakPolarHBondContact OD1-CB 3.36Å; D128-R130 PolarHBondContact OD1-N 3.21Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 2.78Å; R130-R133 PolarHBondContact O-N 3.06Å
131A62.4Low68.6Low26 Ų2687.8 Ų87.822%0.21545%0.453CS..Hα-helixtrans-64.5-35.117600000111.7S125 D128 R133 N134S125-A131 WeakPolarHBondContact O-CB 3.4Å; D128-A131 HydrophobicContact CB-CB 4.04Å; D128-A131 PolarHBondContact O-N 2.82Å; A131-R133 PolarHBondContact O-N 2.73Å; A131-N134 WeakPolarHBondContact O-CB 3.34Å; A131-N134 PolarHBondContact O-N 3.25Å
132R63.2Low66.9Low76 Ų7681.7 Ų81.729%0.28743%0.428SS..Hα-helixtrans-57.4-31.1175.1-67.5180-150.5174.78.8114.4Y126 I127 D128 R130 N134 L135Y126-R132 PolarHBondContact O-NE 2.82Å; Y126-R132 PolarHBondContact O-NH2 3.2Å; I127-R132 PolarHBondContact O-NH2 3.23Å; D128-R132 WeakPolarHBondContact O-CG 3.4Å; D128-R132 PolarHBondContact O-N 2.89Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 2.78Å; R132-N134 VanDerWaalsContact C-N 3.26Å; R132-N134 PolarHBondContact O-N 3Å; R132-L135 WeakPolarHBondContact O-CB 3.46Å; R132-L135 PolarHBondContact O-N 3.48Å
133R60.1Low65.1Low197 Ų19788.8 Ų88.874%0.74346%0.46SS*.THydrogen-bonded Turntrans-68.3-25.7177.6-78.8-171.1-76.9-162.9-2.6113R130 A131 L135R130-R133 PolarHBondContact O-N 3.06Å; A131-R133 PolarHBondContact O-N 2.73Å; R133-L135 VanDerWaalsContact C-N 3.32Å
134N56.3Low63.6Low147 Ų14792.5 Ų92.579%0.78648%0.48SS*.THydrogen-bonded Turntrans-81.1-14.9175-63.9-29000112.4A131 R132 G136A131-N134 WeakPolarHBondContact O-CB 3.34Å; A131-N134 PolarHBondContact O-N 3.25Å; R132-N134 VanDerWaalsContact C-N 3.26Å; R132-N134 PolarHBondContact O-N 3Å; N134-G136 PolarHBondContact O-N 2.83Å
135L61.3Low62.4Low48 Ų4888.1 Ų88.125%0.25146%0.464SS..  trans-83.729.4175-62169.7000112.3Y126 R132 R133 S137 I138Y126-L135 HydrophobicContact CE1-CD1 4.34Å; R132-L135 WeakPolarHBondContact O-CB 3.46Å; R132-L135 PolarHBondContact O-N 3.48Å; R133-L135 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.47Å; L135-I138 HydrophobicContact CB-CD1 3.57Å; L135-I138 HydrophobicContact CB-CG1 4.02Å; L135-I138 HydrophobicContact CD1-CD1 3.79Å; L135-I138 HydrophobicContact CD2-CD1 4.28Å; L135-I138 HydrophobicContact CG-CD1 4.08Å; L135-I138 WeakPolarHBondContact O-CG1 3.24Å; L135-I138 PolarHBondContact O-N 3.41Å
136G53.8Low61.2Low61 Ų6195.1 Ų95.163%0.62949%0.492SS*.THydrogen-bonded Turntrans-55.7-10.1-169.700000116.5N134N134-G136 PolarHBondContact O-N 2.83Å
137S52.4Low60.6Low89 Ų89104 Ų10462%0.62253%0.525SS*.THydrogen-bonded Turntrans-94.8-6.3177.552.20000115.5L135 N139 T140L135-S137 PolarHBondContact O-N 3.47Å; S137-N139 PolarHBondContact O-N 3.19Å; S137-T140 PolarHBondContact O-N 3.38Å; S137-T140 VanDerWaalsContact O-N 3.13Å; S137-T140 PolarHBondContact O-OG1 3.34Å
138I56.3Low60.6Low35 Ų35102.4 Ų102.418%0.17952%0.517CS..THydrogen-bonded Turntrans-60.4-10.4176.6-69.5-178.3000112.5A86 Y126 L135 T140 L142A86-I138 HydrophobicContact CB-CD1 4.26Å; A86-I138 HydrophobicContact CB-CG2 4.11Å; Y126-I138 HydrophobicContact CE1-CD1 3.79Å; L135-I138 HydrophobicContact CB-CD1 3.57Å; L135-I138 HydrophobicContact CB-CG1 4.02Å; L135-I138 HydrophobicContact CD1-CD1 3.79Å; L135-I138 HydrophobicContact CD2-CD1 4.28Å; L135-I138 HydrophobicContact CG-CD1 4.08Å; L135-I138 WeakPolarHBondContact O-CG1 3.24Å; L135-I138 PolarHBondContact O-N 3.41Å; I138-T140 VanDerWaalsContact C-N 3.3Å; I138-T140 PolarHBondContact O-N 3.42Å; I138-L142 HydrophobicContact CG2-CD1 3.72Å
139N48.9Very low61.1Low119 Ų119102.2 Ų102.264%0.63652%0.515SS*.THydrogen-bonded Turntrans-73.3-15.3175.8-83.4-42.6000115.2K82 S137K82-N139 PolarHBondContact NZ-OD1 3.43Å; S137-N139 PolarHBondContact O-N 3.19Å
140T51.2Low62.2Low107 Ų107101.8 Ų101.866%0.65651%0.509SS*.THydrogen-bonded Turntrans-94.6-29.2-167.1-14.70000114.4S137 I138S137-T140 PolarHBondContact O-N 3.38Å; S137-T140 VanDerWaalsContact O-N 3.13Å; S137-T140 PolarHBondContact O-OG1 3.34Å; I138-T140 VanDerWaalsContact C-N 3.3Å; I138-T140 PolarHBondContact O-N 3.42Å
141E50.9Low63.6Low177 Ų17793.9 Ų93.983%0.82748%0.483SS*.THydrogen-bonded Turntrans-102.8-19.3-178.5-76-178156.900114.5Q143E141-Q143 VanDerWaalsContact C-N 3.28Å; E141-Q143 PolarHBondContact O-N 2.93Å; E141-Q143 VanDerWaalsContact O-N 3.12Å
142L55.2Low65Low22 Ų2295.7 Ų95.712%0.11549%0.489CS..  trans-89.344.7-179-73.8177.3000113.7K82 A86 I138 D144 V145K82-L142 HydrophobicContact CB-CD1 4.48Å; K82-L142 HydrophobicContact CD-CB 4.4Å; K82-L142 HydrophobicContact CD-CD1 4.24Å; K82-L142 VanDerWaalsContact CE-CB 3.47Å; K82-L142 HydrophobicContact CG-CB 4.08Å; K82-L142 HydrophobicContact CG-CD1 3.35Å; K82-L142 HydrophobicContact CG-CG 4.36Å; K82-L142 VanDerWaalsContact O-CD1 3.22Å; K82-L142 WeakPolarHBondContact O-CD1 3.46Å; A86-L142 HydrophobicContact CB-CD1 3.73Å; I138-L142 HydrophobicContact CG2-CD1 3.72Å; L142-D144 PolarHBondContact O-N 3.43Å; L142-V145 HydrophobicContact CB-CG2 4.5Å
143Q52.3Low66.3Low161 Ų16192 Ų9275%0.75248%0.476SS*.THydrogen-bonded Turntrans-72.2-12.1171.9-70.8-167.2-1400112.8E141E141-Q143 VanDerWaalsContact C-N 3.28Å; E141-Q143 PolarHBondContact O-N 2.93Å; E141-Q143 VanDerWaalsContact O-N 3.12Å
144D58.2Low67.6Low84 Ų8488 Ų8845%0.44947%0.465SS..THydrogen-bonded Turntrans-104.716.5-167.4-86.710.7000115.8L142 Q146 R147L142-D144 PolarHBondContact O-N 3.43Å; D144-Q146 PolarHBondContact O-N 2.85Å; D144-Q146 VanDerWaalsContact O-N 3.09Å; D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 IonicContact OD1-CZ 3.75Å; D144-R147 IonicContact OD1-NH1 2.75Å; D144-R147 PolarHBondContact OD1-NH1 3.34Å; D144-R147 IonicContact OD2-CZ 3.88Å; D144-R147 IonicContact OD2-NH1 2.75Å; D144-R147 PolarHBondContact OD2-NH1 2.98Å
145V61.4Low69Low47 Ų4786.8 Ų86.829%0.28546%0.455SS..G310 helixtrans-58-28.1176.9-179.50000112.1K82 L142 R147 I148K82-V145 HydrophobicContact CB-CG2 4.3Å; K82-V145 HydrophobicContact CG-CG2 4.23Å; L142-V145 HydrophobicContact CB-CG2 4.5Å; V145-R147 VanDerWaalsContact C-N 3.26Å; V145-R147 PolarHBondContact O-N 2.97Å; V145-I148 HydrophobicContact CB-CD1 4.37Å; V145-I148 HydrophobicContact CG1-CD1 4.16Å; V145-I148 WeakPolarHBondContact O-CB 3.36Å; V145-I148 WeakPolarHBondContact O-CG1 3.42Å; V145-I148 PolarHBondContact O-N 3.18Å
146Q60.8Low70.2Confident195 Ų19586.4 Ų86.491%0.91146%0.455SS*.G310 helixtrans-67.9-20.2178-67.3-177.5-4.900114D144 I148D144-Q146 PolarHBondContact O-N 2.85Å; D144-Q146 VanDerWaalsContact O-N 3.09Å; Q146-I148 VanDerWaalsContact C-N 3.32Å
147R72.4Confident71.7Confident192 Ų19284 Ų8473%0.72543%0.427SS*.G310 helixtrans-88-0.4178.5-66.1-174.1176.5115.810.1113.4D144 V145 M149D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 IonicContact OD1-CZ 3.75Å; D144-R147 IonicContact OD1-NH1 2.75Å; D144-R147 PolarHBondContact OD1-NH1 3.34Å; D144-R147 IonicContact OD2-CZ 3.88Å; D144-R147 IonicContact OD2-NH1 2.75Å; D144-R147 PolarHBondContact OD2-NH1 2.98Å; V145-R147 VanDerWaalsContact C-N 3.26Å; V145-R147 PolarHBondContact O-N 2.97Å; R147-M149 PolarHBondContact O-N 3.46Å
148I84.6Confident72.7Confident21 Ų2185.5 Ų85.511%0.10842%0.424CS..  trans-77.8121.2-176.6-59.4-178.5000109.1R51 F85 V145 Q146 V150R51-I148 HydrophobicContact CB-CG1 4.38Å; F85-I148 HydrophobicContact CD1-CD1 4.09Å; F85-I148 HydrophobicContact CD2-CD1 3.39Å; F85-I148 HydrophobicContact CE1-CD1 4.08Å; F85-I148 HydrophobicContact CE1-CG2 4.35Å; F85-I148 HydrophobicContact CE2-CD1 3.41Å; F85-I148 VanDerWaalsContact CE2-CD1 3.41Å; F85-I148 HydrophobicContact CE2-CG1 4.45Å; F85-I148 HydrophobicContact CE2-CG2 3.76Å; F85-I148 HydrophobicContact CG-CD1 3.77Å; F85-I148 HydrophobicContact CZ-CD1 3.77Å; F85-I148 HydrophobicContact CZ-CG1 4.46Å; F85-I148 HydrophobicContact CZ-CG2 3.5Å; V145-I148 HydrophobicContact CB-CD1 4.37Å; V145-I148 HydrophobicContact CG1-CD1 4.16Å; V145-I148 WeakPolarHBondContact O-CB 3.36Å; V145-I148 WeakPolarHBondContact O-CG1 3.42Å; V145-I148 PolarHBondContact O-N 3.18Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; I148-V150 PolarHBondContact O-N 3.28Å
149M88.5Confident73Confident77 Ų7794.3 Ų94.338%0.37946%0.455SS..EExtended strand (participates in β ladder)trans-64.8133.3175.9-173.3178.776.700110P49 R51 C52 T53 R147 A151P49-M149 HydrophobicContact CB-CB 4.43Å; P49-M149 HydrophobicContact CB-CE 4.17Å; P49-M149 HydrophobicContact CB-SD 4.37Å; P49-M149 HydrophobicContact CG-CE 3.54Å; P49-M149 HydrophobicContact CG-SD 3.64Å; R51-M149 PolarHBondContact O-N 3.41Å; C52-M149 CarbonylContact C-O 3.58Å; C52-M149 VanDerWaalsContact CA-O 3.26Å; C52-M149 WeakPolarHBondContact CA-O 3.44Å; C52-M149 HydrophobicContact CB-CB 4.32Å; C52-M149 HydrophobicContact CB-CE 4.2Å; C52-M149 WeakPolarHBondContact SG-CE 3.43Å; C52-M149 PolarHBondContact SG-O 3.01Å; T53-M149 PolarHBondContact N-O 3.05Å; R147-M149 PolarHBondContact O-N 3.46Å; M149-A151 HydrophobicContact CE-CB 4.4Å
150V92.8Very high73.3Confident68 Ų6890.3 Ų90.341%0.41244%0.442SS..EExtended strand (participates in β ladder)trans-113.9126.8171.7-173.70000108.3T53 E55 I148T53-V150 VanDerWaalsContact O-CA 3.32Å; T53-V150 WeakPolarHBondContact O-CA 3.31Å; E55-V150 HydrophobicContact CG-CG1 4Å; I148-V150 PolarHBondContact O-N 3.28Å
151A92.4Very high73.3Confident22 Ų2289.5 Ų89.518%0.18243%0.431CS..EExtended strand (participates in β ladder)trans-142.4165.7177.300000110.6T53 L54 E55 M149 V156T53-A151 PolarHBondContact O-N 3.12Å; L54-A151 CarbonylContact C-O 3.43Å; L54-A151 WeakPolarHBondContact CA-O 3.49Å; L54-A151 HydrophobicContact CD2-CB 3.9Å; E55-A151 PolarHBondContact N-O 3.08Å; M149-A151 HydrophobicContact CE-CB 4.4Å; A151-V156 HydrophobicContact CB-CG2 4.44Å
152N92.8Very high73.2Confident64 Ų6485.9 Ų85.934%0.34243%0.431SS..EExtended strand (participates in β ladder)trans-82.6138.7172.8-168.7-58.3000110E154 E155 V156N152-E154 VanDerWaalsContact C-N 3.31Å; N152-E154 PolarHBondContact O-N 3.44Å; N152-E154 WeakPolarHBondContact OD1-CB 3.03Å; N152-E154 PolarHBondContact OD1-N 2.94Å; N152-E155 HydrophobicContact CB-CB 4.38Å; N152-E155 PolarHBondContact O-N 3.41Å; N152-V156 PolarHBondContact O-N 3.17Å
153I90.2Very high72.8Confident0 Ų092.2 Ų92.20%046%0.464CS..Hα-helixtrans-64.2-36.8179-167159.9000112.5Q36 L54 E55 A56 F61 E155 V156 L157Q36-I153 HydrophobicContact CB-CD1 3.91Å; L54-I153 HydrophobicContact CB-CB 4.08Å; L54-I153 HydrophobicContact CB-CG1 4.47Å; L54-I153 HydrophobicContact CD1-CG1 4.38Å; E55-I153 WeakPolarHBondContact O-CG2 3.42Å; E55-I153 PolarHBondContact O-N 3.36Å; A56-I153 HydrophobicContact CB-CB 4.4Å; A56-I153 HydrophobicContact CB-CG2 3.62Å; F61-I153 HydrophobicContact CD2-CD1 3.36Å; F61-I153 HydrophobicContact CE2-CD1 3.27Å; F61-I153 HydrophobicContact CG-CD1 4.16Å; F61-I153 HydrophobicContact CZ-CD1 4Å; I153-E155 VanDerWaalsContact C-N 3.29Å; I153-E155 PolarHBondContact O-N 3.13Å; I153-V156 PolarHBondContact O-N 3.49Å; I153-L157 HydrophobicContact CD1-CD1 4.18Å; I153-L157 HydrophobicContact CG1-CD1 3.7Å; I153-L157 HydrophobicContact CG1-CG 3.89Å; I153-L157 WeakPolarHBondContact O-CB 3.45Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.5Å; I153-L157 PolarHBondContact O-N 3.48Å
154E87.1Confident72.5Confident112 Ų11287.6 Ų87.652%0.52345%0.45SS..Hα-helixtrans-63.3-38.9-178.3-64175.1178.300110.8N152 V156 L157 Q158N152-E154 VanDerWaalsContact C-N 3.31Å; N152-E154 PolarHBondContact O-N 3.44Å; N152-E154 WeakPolarHBondContact OD1-CB 3.03Å; N152-E154 PolarHBondContact OD1-N 2.94Å; E154-V156 PolarHBondContact O-N 3.1Å; E154-L157 PolarHBondContact O-N 3.3Å; E154-Q158 WeakPolarHBondContact O-CB 3.19Å; E154-Q158 WeakPolarHBondContact O-CG 3.19Å; E154-Q158 PolarHBondContact O-N 3.12Å
155E85.9Confident72.3Confident122 Ų12287.3 Ų87.357%0.5746%0.459SS*.Hα-helixtrans-63.1-41.9176.4-171.2-176.4171.900111.8N152 I153 R159N152-E155 HydrophobicContact CB-CB 4.38Å; N152-E155 PolarHBondContact O-N 3.41Å; I153-E155 VanDerWaalsContact C-N 3.29Å; I153-E155 PolarHBondContact O-N 3.13Å; E155-R159 PolarHBondContact O-N 3.17Å
156V86.3Confident71.8Confident40 Ų4092.7 Ų92.724%0.24249%0.486CS..Hα-helixtrans-69.7-37.4178.6177.60000111.5L40 L54 A151 N152 I153 E154L40-V156 HydrophobicContact CD1-CG1 3.99Å; L54-V156 HydrophobicContact CD2-CG2 3.79Å; A151-V156 HydrophobicContact CB-CG2 4.44Å; N152-V156 PolarHBondContact O-N 3.17Å; I153-V156 PolarHBondContact O-N 3.49Å; E154-V156 PolarHBondContact O-N 3.1Å
157L84.8Confident71.2Confident9 Ų989.6 Ų89.65%0.04748%0.475CS..Hα-helixtrans-77.4-45.2-178.5-65.3-177.6000112.4Q36 Q39 L40 I153 E154 R159Q36-L157 HydrophobicContact CB-CD1 4.03Å; Q36-L157 HydrophobicContact CG-CD1 3.87Å; Q39-L157 HydrophobicContact CB-CD2 3.6Å; L40-L157 HydrophobicContact CB-CD2 4.44Å; I153-L157 HydrophobicContact CD1-CD1 4.18Å; I153-L157 HydrophobicContact CG1-CD1 3.7Å; I153-L157 HydrophobicContact CG1-CG 3.89Å; I153-L157 WeakPolarHBondContact O-CB 3.45Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.5Å; I153-L157 PolarHBondContact O-N 3.48Å; E154-L157 PolarHBondContact O-N 3.3Å; L157-R159 PolarHBondContact O-N 3.07Å
158Q73.2Confident70.1Confident122 Ų12282.6 Ų82.657%0.5746%0.456SS*.Hα-helixtrans-66.4-22.4-177.1-74.4177.45.200113.3E154 G160 E161E154-Q158 WeakPolarHBondContact O-CB 3.19Å; E154-Q158 WeakPolarHBondContact O-CG 3.19Å; E154-Q158 PolarHBondContact O-N 3.12Å; Q158-G160 PolarHBondContact O-N 2.94Å; Q158-E161 PolarHBondContact O-N 3.16Å
159R63.3Low68.4Low220 Ų22089.5 Ų89.583%0.8349%0.485SS*.THydrogen-bonded Turntrans-65.118.4179.8-149.5172.4-175.9173.11.7115E155 L157E155-R159 PolarHBondContact O-N 3.17Å; L157-R159 PolarHBondContact O-N 3.07Å
160G55.8Low66.7Low34 Ų3488.8 Ų88.835%0.35149%0.491SS..THydrogen-bonded Turntrans-178.650.6160.200000113K43 Q158K43-G160 PolarHBondContact NZ-O 3.34Å; Q158-G160 PolarHBondContact O-N 2.94Å
161E50.4Low64.8Low90 Ų9088.8 Ų88.842%0.42149%0.494SS..  trans-91.30.1-175.5-95.6-171.9159.400115.9Q158 L163Q158-E161 PolarHBondContact O-N 3.16Å; E161-L163 PolarHBondContact O-N 3.37Å; E161-L163 VanDerWaalsContact O-N 3.16Å
162A50Low62.8Low102 Ų10292 Ų9284%0.84351%0.508SS*.SBendtrans-68.7-11.7179.600000115.1
163L46.4Very low61Low154 Ų15494.5 Ų94.581%0.80652%0.521SS*.SBendtrans-123.6-24.6-173.5-97.594.2000117.2E161E161-L163 PolarHBondContact O-N 3.37Å; E161-L163 VanDerWaalsContact O-N 3.16Å
164S46.4Very low59.3Low65 Ų6597.1 Ų97.146%0.45554%0.54SS..SBendtrans-96.8-9-162.5-56.30000115.6L166S164-L166 VanDerWaalsContact C-N 3.3Å; S164-L166 PolarHBondContact O-N 3.4Å
165A52.7Low57.7Low78 Ų7894.7 Ų94.765%0.64554%0.535SS*.THydrogen-bonded Turntrans-73.6-17.3-174.500000114
166L50.5Low56.1Low160 Ų16093 Ų9384%0.83853%0.529SS*.THydrogen-bonded Turntrans-86.1-27.4-177.4-75.8164.9000113.9S164S164-L166 VanDerWaalsContact C-N 3.3Å; S164-L166 PolarHBondContact O-N 3.4Å
167D48.9Very low54.4Low130 Ų13094.5 Ų94.570%0.69554%0.542SS*.Hα-helixtrans-94.5-30.8-164.1-149.629.2000114.3S171D167-S171 PolarHBondContact O-OG 3.24Å
168S48.6Very low53.1Low45 Ų45101 Ų10132%0.31557%0.569SS.*Hα-helixtrans-84.4-24.3-17769.90000114.7
169K49.8Very low52.7Low166 Ų166101.8 Ų101.872%0.72257%0.571SS**Hα-helixtrans-73-31.9174.8-104.5-176.6177.6-173.60111.5
170A52.3Low52.4Low62 Ų6299.3 Ų99.351%0.51256%0.563SS.*Hα-helixtrans-74.9-38.9178.400000113.2S174A170-S174 WeakPolarHBondContact O-CB 3.24Å; A170-S174 PolarHBondContact O-N 2.8Å
171S52.4Low52.7Low68 Ų68107.4 Ų107.448%0.47658%0.583SS.*Hα-helixtrans-78.8-37.4-171.956.90000114.6D167 S175D167-S171 PolarHBondContact O-OG 3.24Å; S171-S175 WeakPolarHBondContact O-CB 3.16Å; S171-S175 PolarHBondContact O-N 3Å; S171-S175 PolarHBondContact O-OG 3.06Å
172N51.6Low53.3Low88 Ų88106.6 Ų106.647%0.47159%0.587SS.*Hα-helixtrans-72-41.2176.4-95.3-36.8000112.3S175 L176N172-S175 PolarHBondContact O-OG 2.89Å; N172-L176 WeakPolarHBondContact O-CB 3.38Å; N172-L176 WeakPolarHBondContact O-CD1 3.42Å; N172-L176 PolarHBondContact O-N 3.36Å
173L54.6Low54.2Low118 Ų118105.3 Ų105.362%0.61857%0.566SS**Hα-helixtrans-64-44.9173.7-79.1169.5000111S175 S177L173-S175 PolarHBondContact O-N 2.93Å; L173-S177 WeakPolarHBondContact O-CB 3.16Å; L173-S177 PolarHBondContact O-N 2.98Å; L173-S177 PolarHBondContact O-OG 3.46Å
174S54.5Low55.2Low55 Ų55100.9 Ų100.939%0.38555%0.552SS.*Hα-helixtrans-62.2-41.7178.5-172.50000112.9A170 K178A170-S174 WeakPolarHBondContact O-CB 3.24Å; A170-S174 PolarHBondContact O-N 2.8Å; S174-K178 VanDerWaalsContact O-CB 3.24Å; S174-K178 WeakPolarHBondContact O-CB 3.38Å; S174-K178 WeakPolarHBondContact O-CG 3.43Å; S174-K178 PolarHBondContact O-N 3.43Å
175S53.6Low56.2Low61 Ų61105.1 Ų105.143%0.42756%0.562SS.*Hα-helixtrans-73.4-42.1-17953.50000113.1S171 N172 L173 K178 K179S171-S175 WeakPolarHBondContact O-CB 3.16Å; S171-S175 PolarHBondContact O-N 3Å; S171-S175 PolarHBondContact O-OG 3.06Å; N172-S175 PolarHBondContact O-OG 2.89Å; L173-S175 PolarHBondContact O-N 2.93Å; S175-K178 PolarHBondContact O-N 3.03Å; S175-K179 WeakPolarHBondContact O-CB 3.44Å; S175-K179 PolarHBondContact O-N 2.97Å
176L52.5Low57.3Low86 Ų86108.7 Ų108.745%0.4556%0.56SS.*Hα-helixtrans-64.8-45.5173.2-85.7142000111.4N172 K178 K179 Y180N172-L176 WeakPolarHBondContact O-CB 3.38Å; N172-L176 WeakPolarHBondContact O-CD1 3.42Å; N172-L176 PolarHBondContact O-N 3.36Å; L176-K178 VanDerWaalsContact C-N 3.35Å; L176-K178 PolarHBondContact O-N 3.17Å; L176-K179 PolarHBondContact O-N 3.43Å; L176-K179 VanDerWaalsContact O-N 3.17Å; L176-Y180 HydrophobicContact CB-CE2 4.41Å; L176-Y180 HydrophobicContact CD2-CE2 3.97Å; L176-Y180 WeakPolarHBondContact O-CD2 3.37Å; L176-Y180 PolarHBondContact O-N 2.92Å
177S49.8Very low58.3Low72 Ų72106.3 Ų106.350%0.50355%0.547SS..Hα-helixtrans-64.4-36.2176.5-63.40000112.8L173 R181L173-S177 WeakPolarHBondContact O-CB 3.16Å; L173-S177 PolarHBondContact O-N 2.98Å; L173-S177 PolarHBondContact O-OG 3.46Å; S177-R181 VanDerWaalsContact O-CB 3.26Å; S177-R181 WeakPolarHBondContact O-CB 3.2Å; S177-R181 PolarHBondContact O-N 2.88Å
178K58.3Low59.6Low144 Ų144105.2 Ų105.263%0.62654%0.542SS*.Hα-helixtrans-64.9-40172.5-80.4174.9-177-179.80111.8S174 S175 L176 R181 S182S174-K178 VanDerWaalsContact O-CB 3.24Å; S174-K178 WeakPolarHBondContact O-CB 3.38Å; S174-K178 WeakPolarHBondContact O-CG 3.43Å; S174-K178 PolarHBondContact O-N 3.43Å; S175-K178 PolarHBondContact O-N 3.03Å; L176-K178 VanDerWaalsContact C-N 3.35Å; L176-K178 PolarHBondContact O-N 3.17Å; K178-R181 PolarHBondContact O-N 3.45Å; K178-S182 WeakPolarHBondContact O-CB 3.26Å; K178-S182 PolarHBondContact O-N 2.91Å
179K64.1Low60.8Low139 Ų139106.4 Ų106.460%0.60455%0.547SS*.Hα-helixtrans-65.4-48.9176.4-167176.9179.3-173.60111.4S175 L176 R181 S182 D183S175-K179 WeakPolarHBondContact O-CB 3.44Å; S175-K179 PolarHBondContact O-N 2.97Å; L176-K179 PolarHBondContact O-N 3.43Å; L176-K179 VanDerWaalsContact O-N 3.17Å; K179-R181 VanDerWaalsContact C-N 3.33Å; K179-R181 PolarHBondContact O-N 3.26Å; K179-S182 WeakPolarHBondContact O-CB 3.08Å; K179-S182 PolarHBondContact O-N 3.12Å; K179-S182 VanDerWaalsContact O-N 3.14Å; K179-D183 WeakPolarHBondContact O-CB 3.48Å; K179-D183 VanDerWaalsContact O-CG 3.29Å; K179-D183 PolarHBondContact O-N 3.48Å
180Y57.4Low62.1Low168 Ų168106.9 Ų106.966%0.65954%0.544SS*.Hα-helixtrans-59.8-39.7174.4-75.2-64.1000112.8L176 A184L176-Y180 HydrophobicContact CB-CE2 4.41Å; L176-Y180 HydrophobicContact CD2-CE2 3.97Å; L176-Y180 WeakPolarHBondContact O-CD2 3.37Å; L176-Y180 PolarHBondContact O-N 2.92Å; Y180-A184 VanDerWaalsContact O-CB 3.27Å; Y180-A184 WeakPolarHBondContact O-CB 3.5Å; Y180-A184 PolarHBondContact O-N 3.14Å
181R61.1Low63.2Low204 Ų204106.4 Ų106.477%0.7754%0.537SS*.Hα-helixtrans-65-40.3175.1-177.9176.1179.2167.30.5112.3S177 K178 K179 K185S177-R181 VanDerWaalsContact O-CB 3.26Å; S177-R181 WeakPolarHBondContact O-CB 3.2Å; S177-R181 PolarHBondContact O-N 2.88Å; K178-R181 PolarHBondContact O-N 3.45Å; K179-R181 VanDerWaalsContact C-N 3.33Å; K179-R181 PolarHBondContact O-N 3.26Å; R181-K185 WeakPolarHBondContact O-CB 3.45Å; R181-K185 PolarHBondContact O-N 2.98Å; R181-K185 VanDerWaalsContact O-N 3.12Å
182S63.8Low64.3Low74 Ų74106.6 Ų106.652%0.51754%0.536SS..Hα-helixtrans-66.3-47.9177.6-1740000111.2K178 K179 A184 K185 Y186K178-S182 WeakPolarHBondContact O-CB 3.26Å; K178-S182 PolarHBondContact O-N 2.91Å; K179-S182 WeakPolarHBondContact O-CB 3.08Å; K179-S182 PolarHBondContact O-N 3.12Å; K179-S182 VanDerWaalsContact O-N 3.14Å; S182-A184 PolarHBondContact O-N 3.5Å; S182-K185 PolarHBondContact O-N 2.89Å; S182-Y186 WeakPolarHBondContact O-CB 3.42Å; S182-Y186 PolarHBondContact O-N 2.96Å
183D69.5Low65.9Low75 Ų75111 Ų11140%0.40155%0.547SS..Hα-helixtrans-64.4-41.4-179.2-66.6-15.6000111.1K179 K185 Y186 L187K179-D183 WeakPolarHBondContact O-CB 3.48Å; K179-D183 VanDerWaalsContact O-CG 3.29Å; K179-D183 PolarHBondContact O-N 3.48Å; D183-K185 PolarHBondContact O-N 3.36Å; D183-Y186 PolarHBondContact O-N 2.72Å; D183-L187 VanDerWaalsContact O-CG 3.31Å; D183-L187 WeakPolarHBondContact O-CG 3.44Å; D183-L187 PolarHBondContact O-N 3.04Å
184A67.3Low67.1Low60 Ų60108.4 Ų108.450%0.49654%0.542SS..Hα-helixtrans-64.2-40.5175.200000113Y180 S182 N188Y180-A184 VanDerWaalsContact O-CB 3.27Å; Y180-A184 WeakPolarHBondContact O-CB 3.5Å; Y180-A184 PolarHBondContact O-N 3.14Å; S182-A184 PolarHBondContact O-N 3.5Å; A184-N188 WeakPolarHBondContact O-CB 3.27Å; A184-N188 PolarHBondContact O-N 3.5Å
185K67.8Low68.5Low154 Ų154113 Ų11367%0.6756%0.555SS**Hα-helixtrans-68.2-39178.1-166.6178.7-178.1-173.70111.7R181 S182 D183 N188 T189R181-K185 WeakPolarHBondContact O-CB 3.45Å; R181-K185 PolarHBondContact O-N 2.98Å; R181-K185 VanDerWaalsContact O-N 3.12Å; S182-K185 PolarHBondContact O-N 2.89Å; D183-K185 PolarHBondContact O-N 3.36Å; K185-N188 PolarHBondContact O-N 3.02Å; K185-T189 WeakPolarHBondContact O-CB 3.31Å; K185-T189 PolarHBondContact O-N 3.41Å; K185-T189 PolarHBondContact O-OG1 3.41Å
186Y75.1Confident70.1Confident154 Ų154116.2 Ų116.260%0.60457%0.567SS**Hα-helixtrans-61.8-47.4175.7176.2-106.3000111.6S182 D183 T189 R190S182-Y186 WeakPolarHBondContact O-CB 3.42Å; S182-Y186 PolarHBondContact O-N 2.96Å; D183-Y186 PolarHBondContact O-N 2.72Å; Y186-T189 PolarHBondContact O-N 3.15Å; Y186-R190 PolarHBondContact O-N 3.45Å; Y186-R190 VanDerWaalsContact O-N 3.14Å
187L72.2Confident71.8Confident109 Ų109115.1 Ų115.157%0.57157%0.57SS**Hα-helixtrans-64.2-42178.1-68.7173.7000112.5D183 R190 S191D183-L187 VanDerWaalsContact O-CG 3.31Å; D183-L187 WeakPolarHBondContact O-CG 3.44Å; D183-L187 PolarHBondContact O-N 3.04Å; L187-R190 PolarHBondContact O-N 2.95Å; L187-S191 PolarHBondContact O-N 3.48Å; L187-S191 VanDerWaalsContact O-N 3.08Å
188N76Confident73.6Confident108 Ų108114.7 Ų114.758%0.57857%0.571SS**Hα-helixtrans-64.8-44.4179-164.624.4000111.7A184 K185 R190 S191 T192A184-N188 WeakPolarHBondContact O-CB 3.27Å; A184-N188 PolarHBondContact O-N 3.5Å; K185-N188 PolarHBondContact O-N 3.02Å; N188-R190 VanDerWaalsContact C-N 3.35Å; N188-R190 PolarHBondContact O-N 3.13Å; N188-S191 PolarHBondContact O-N 3.05Å; N188-T192 PolarHBondContact O-N 2.92Å; N188-T192 PolarHBondContact O-OG1 3.14Å
189T72.9Confident75.1Confident70 Ų70109.8 Ų109.843%0.42956%0.562SS.*Hα-helixtrans-62-42179.9-51.30000111.8K185 Y186 T192 Y193K185-T189 WeakPolarHBondContact O-CB 3.31Å; K185-T189 PolarHBondContact O-N 3.41Å; K185-T189 PolarHBondContact O-OG1 3.41Å; Y186-T189 PolarHBondContact O-N 3.15Å; T189-T192 PolarHBondContact O-N 3.17Å; T189-Y193 HydrophobicContact CG2-CD2 4.39Å; T189-Y193 PolarHBondContact O-N 3.38Å; T189-Y193 VanDerWaalsContact O-N 3.15Å
190R77.4Confident76.5Confident176 Ų176104.8 Ų104.866%0.66455%0.549SS*.Hα-helixtrans-64-40.8175.9-171.9177.6178.8-149.6-0.2111.9Y186 L187 N188 A194Y186-R190 PolarHBondContact O-N 3.45Å; Y186-R190 VanDerWaalsContact O-N 3.14Å; L187-R190 PolarHBondContact O-N 2.95Å; N188-R190 VanDerWaalsContact C-N 3.35Å; N188-R190 PolarHBondContact O-N 3.13Å; R190-A194 PolarHBondContact O-N 3.4Å; R190-A194 VanDerWaalsContact O-N 3.13Å
191S74.6Confident78.1Confident51 Ų51101.5 Ų101.536%0.35755%0.546SS..Hα-helixtrans-66.5-39.1177.5-169.90000112.3L187 N188 A194 K195L187-S191 PolarHBondContact O-N 3.48Å; L187-S191 VanDerWaalsContact O-N 3.08Å; N188-S191 PolarHBondContact O-N 3.05Å; S191-A194 PolarHBondContact O-N 3Å; S191-K195 WeakPolarHBondContact O-CG 3.45Å; S191-K195 PolarHBondContact O-N 3.37Å
192T77Confident79.6Confident73 Ų7398.7 Ų98.745%0.44854%0.54SS..Hα-helixtrans-64.3-44.7177.1-440000111.8N188 T189 A194 K195 L196N188-T192 PolarHBondContact O-N 2.92Å; N188-T192 PolarHBondContact O-OG1 3.14Å; T189-T192 PolarHBondContact O-N 3.17Å; T192-A194 VanDerWaalsContact C-N 3.33Å; T192-A194 PolarHBondContact O-N 3.44Å; T192-K195 PolarHBondContact O-N 2.99Å; T192-L196 WeakPolarHBondContact O-CB 3.43Å; T192-L196 PolarHBondContact O-N 3.08Å
193Y83.8Confident81Confident181 Ų181101.4 Ų101.471%0.7154%0.543SS*.Hα-helixtrans-60.4-42.4175.6-101.2-80.7000112.3T189 L196 A197T189-Y193 HydrophobicContact CG2-CD2 4.39Å; T189-Y193 PolarHBondContact O-N 3.38Å; T189-Y193 VanDerWaalsContact O-N 3.15Å; Y193-L196 PolarHBondContact O-N 3.01Å; Y193-A197 WeakPolarHBondContact O-CB 3.36Å; Y193-A197 PolarHBondContact O-N 3.29Å
194A79.4Confident82.1Confident62 Ų62103 Ų10351%0.51255%0.55SS.*Hα-helixtrans-63.5-42.2177.100000112.4R190 S191 T192 A198R190-A194 PolarHBondContact O-N 3.4Å; R190-A194 VanDerWaalsContact O-N 3.13Å; S191-A194 PolarHBondContact O-N 3Å; T192-A194 VanDerWaalsContact C-N 3.33Å; T192-A194 PolarHBondContact O-N 3.44Å; A194-A198 PolarHBondContact O-N 2.98Å; A194-A198 VanDerWaalsContact O-N 3.12Å
195K84.3Confident83.2Confident151 Ų151106.8 Ų106.866%0.65756%0.559SS**Hα-helixtrans-64.2-40.5176.5-72.4176.7-176.8-177.60112.3S191 T192 A198 G199S191-K195 WeakPolarHBondContact O-CG 3.45Å; S191-K195 PolarHBondContact O-N 3.37Å; T192-K195 PolarHBondContact O-N 2.99Å; K195-A198 PolarHBondContact O-N 3.38Å; K195-G199 PolarHBondContact O-N 3.01Å
196L87.8Confident84.4Confident130 Ų130103.3 Ų103.368%0.68155%0.548SS*.Hα-helixtrans-69.8-40-178.6-145.1153.3000111.4T192 Y193 G199 G200T192-L196 WeakPolarHBondContact O-CB 3.43Å; T192-L196 PolarHBondContact O-N 3.08Å; Y193-L196 PolarHBondContact O-N 3.01Å; L196-G199 PolarHBondContact O-N 3.44Å; L196-G200 PolarHBondContact O-N 3.12Å
197A87.8Confident85.2Confident62 Ų62100.1 Ų100.151%0.51254%0.54SS..Hα-helixtrans-61.5-44.8173.100000112.2Y193 G199 G200 V201Y193-A197 WeakPolarHBondContact O-CB 3.36Å; Y193-A197 PolarHBondContact O-N 3.29Å; A197-G199 PolarHBondContact O-N 3.26Å; A197-G200 PolarHBondContact O-N 3.48Å; A197-V201 WeakPolarHBondContact O-CG2 3.45Å; A197-V201 PolarHBondContact O-N 3.08Å; A197-V201 VanDerWaalsContact O-N 3.08Å
198A87.9Confident86.2Confident63 Ų6399.3 Ų99.352%0.52154%0.54SS..Hα-helixtrans-62.1-41.9176.800000112.5A194 K195 V201 F202A194-A198 PolarHBondContact O-N 2.98Å; A194-A198 VanDerWaalsContact O-N 3.12Å; K195-A198 PolarHBondContact O-N 3.38Å; A198-V201 PolarHBondContact O-N 3.49Å; A198-F202 PolarHBondContact O-N 3.46Å; A198-F202 VanDerWaalsContact O-N 3.16Å
199G90.5Very high86.9Confident42 Ų42100.8 Ų100.843%0.43354%0.538SS..Hα-helixtrans-62.9-40.1174.700000113K195 L196 A197 F202 F203K195-G199 PolarHBondContact O-N 3.01Å; L196-G199 PolarHBondContact O-N 3.44Å; A197-G199 PolarHBondContact O-N 3.26Å; G199-F202 PolarHBondContact O-N 2.96Å; G199-F203 PolarHBondContact O-N 3.42Å
200G92.1Very high87.8Confident33 Ų33100.7 Ų100.734%0.3454%0.537SS..Hα-helixtrans-62.1-43.4176.100000113L196 A197 F202 F203 I204L196-G200 PolarHBondContact O-N 3.12Å; A197-G200 PolarHBondContact O-N 3.48Å; G200-F202 PolarHBondContact O-N 3.39Å; G200-F203 PolarHBondContact O-N 3.3Å; G200-I204 WeakPolarHBondContact O-CG1 3.44Å; G200-I204 PolarHBondContact O-N 3.46Å
201V91.6Very high88.3Confident100 Ų100101 Ų10161%0.60654%0.538SS*.Hα-helixtrans-62.3-43.6176.5174.50000111.2A197 A198 F203 I204 M205A197-V201 WeakPolarHBondContact O-CG2 3.45Å; A197-V201 PolarHBondContact O-N 3.08Å; A197-V201 VanDerWaalsContact O-N 3.08Å; A198-V201 PolarHBondContact O-N 3.49Å; V201-F203 VanDerWaalsContact C-N 3.34Å; V201-F203 PolarHBondContact O-N 3.16Å; V201-I204 PolarHBondContact O-N 3.41Å; V201-M205 WeakPolarHBondContact O-CB 3.34Å; V201-M205 PolarHBondContact O-N 3.36Å
202F92.4Very high89Confident144 Ų144106.9 Ų106.963%0.63256%0.558SS**Hα-helixtrans-61.5-42.7176.8-174.7-97.8000112A198 G199 G200 M205 L206A198-F202 PolarHBondContact O-N 3.46Å; A198-F202 VanDerWaalsContact O-N 3.16Å; G199-F202 PolarHBondContact O-N 2.96Å; G200-F202 PolarHBondContact O-N 3.39Å; F202-M205 PolarHBondContact O-N 3.31Å; F202-L206 HydrophobicContact CE1-CD1 4.12Å; F202-L206 WeakPolarHBondContact O-CB 3.41Å; F202-L206 PolarHBondContact O-N 3.4Å
203F93.8Very high89.3Confident131 Ų131112.4 Ų112.458%0.57557%0.57SS**Hα-helixtrans-64.7-42.2178.9-165.9-103.7000112.4G199 G200 V201 L206 I207G199-F203 PolarHBondContact O-N 3.42Å; G200-F203 PolarHBondContact O-N 3.3Å; V201-F203 VanDerWaalsContact C-N 3.34Å; V201-F203 PolarHBondContact O-N 3.16Å; F203-L206 PolarHBondContact O-N 2.95Å; F203-I207 HydrophobicContact CD1-CD1 3.7Å; F203-I207 HydrophobicContact CD1-CG1 4.46Å; F203-I207 HydrophobicContact CE1-CD1 3.51Å; F203-I207 HydrophobicContact CE1-CG1 4.32Å; F203-I207 HydrophobicContact CZ-CD1 4.32Å; F203-I207 WeakPolarHBondContact O-CG1 3.42Å; F203-I207 PolarHBondContact O-N 3.01Å
204I92.8Very high88.7Confident110 Ų110114.8 Ų114.856%0.56458%0.578SS**Hα-helixtrans-62.7-44.3174.9-67.9168000110.6G200 V201 L206 I207 V208G200-I204 WeakPolarHBondContact O-CG1 3.44Å; G200-I204 PolarHBondContact O-N 3.46Å; V201-I204 PolarHBondContact O-N 3.41Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 3.03Å; I204-I207 PolarHBondContact O-N 2.98Å; I204-V208 WeakPolarHBondContact O-CG2 3.45Å; I204-V208 PolarHBondContact O-N 3.27Å
205M90.5Very high87.6Confident139 Ų139120.7 Ų120.769%0.68560%0.6SS**Hα-helixtrans-61.2-39.9178.1-160.9-174.5-17000111.7V201 F202 V208 Y209V201-M205 WeakPolarHBondContact O-CB 3.34Å; V201-M205 PolarHBondContact O-N 3.36Å; F202-M205 PolarHBondContact O-N 3.31Å; M205-V208 PolarHBondContact O-N 3.33Å; M205-Y209 WeakPolarHBondContact O-CB 3.41Å; M205-Y209 PolarHBondContact O-N 3.25Å
206L92.3Very high87.8Confident81 Ų81119.2 Ų119.242%0.42460%0.597SS.*Hα-helixtrans-64.2-44.1176-165.3158.9000111.6F202 F203 I204 V208 Y209 V210F202-L206 HydrophobicContact CE1-CD1 4.12Å; F202-L206 WeakPolarHBondContact O-CB 3.41Å; F202-L206 PolarHBondContact O-N 3.4Å; F203-L206 PolarHBondContact O-N 2.95Å; I204-L206 VanDerWaalsContact C-N 3.3Å; I204-L206 PolarHBondContact O-N 3.03Å; L206-V208 PolarHBondContact O-N 2.95Å; L206-Y209 PolarHBondContact O-N 3.42Å; L206-V210 HydrophobicContact CD2-CG2 3.86Å; L206-V210 WeakPolarHBondContact O-CG2 3.37Å; L206-V210 PolarHBondContact O-N 3.05Å
207I92.5Very high87.8Confident87 Ų87118.6 Ų118.645%0.44659%0.593SS.*Hα-helixtrans-59.8-45.6176.1-71169.7000111.1F203 I204 Y209 V210 R211F203-I207 HydrophobicContact CD1-CD1 3.7Å; F203-I207 HydrophobicContact CD1-CG1 4.46Å; F203-I207 HydrophobicContact CE1-CD1 3.51Å; F203-I207 HydrophobicContact CE1-CG1 4.32Å; F203-I207 HydrophobicContact CZ-CD1 4.32Å; F203-I207 WeakPolarHBondContact O-CG1 3.42Å; F203-I207 PolarHBondContact O-N 3.01Å; I204-I207 PolarHBondContact O-N 2.98Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 3.02Å; I207-V210 PolarHBondContact O-N 2.96Å; I207-R211 WeakPolarHBondContact O-CB 2.81Å; I207-R211 PolarHBondContact O-N 3.42Å
208V92Very high87.8Confident92 Ų92121.7 Ų121.756%0.55860%0.597SS**Hα-helixtrans-62.2-42.9178.4173.20000110.8I204 M205 L206 R211 F212I204-V208 WeakPolarHBondContact O-CG2 3.45Å; I204-V208 PolarHBondContact O-N 3.27Å; M205-V208 PolarHBondContact O-N 3.33Å; L206-V208 PolarHBondContact O-N 2.95Å; V208-R211 PolarHBondContact O-N 3.48Å; V208-F212 WeakPolarHBondContact O-CB 3.39Å; V208-F212 PolarHBondContact O-N 3.26Å
209Y92Very high87.8Confident139 Ų139125.2 Ų125.255%0.54560%0.602SS.*Hα-helixtrans-61.9-49.2178.5-177.2-107000112.8M205 L206 I207 R211 F212 W213M205-Y209 WeakPolarHBondContact O-CB 3.41Å; M205-Y209 PolarHBondContact O-N 3.25Å; L206-Y209 PolarHBondContact O-N 3.42Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 3.02Å; Y209-R211 VanDerWaalsContact C-N 3.32Å; Y209-R211 PolarHBondContact O-N 3.49Å; Y209-F212 PolarHBondContact O-N 3.48Å; Y209-W213 HydrophobicContact CD1-CE3 4.37Å; Y209-W213 AromaticContact CE1-CE3 3.45Å; Y209-W213 HydrophobicContact CE1-CE3 3.45Å; Y209-W213 VanDerWaalsContact CE1-CE3 3.45Å; Y209-W213 AromaticContact CE1-CZ3 3.64Å; Y209-W213 HydrophobicContact CE1-CZ3 3.64Å; Y209-W213 HydrophobicContact CE2-CE3 4.16Å; Y209-W213 HydrophobicContact CE2-CZ3 4.44Å; Y209-W213 AromaticContact CZ-CE3 3.35Å; Y209-W213 AromaticContact CZ-CZ3 3.39Å; Y209-W213 PolarHBondContact O-N 2.99Å; Y209-W213 VanDerWaalsContact O-N 3.07Å; Y209-W213 VanDerWaalsContact OH-CE3 3.3Å; Y209-W213 WeakPolarHBondContact OH-CZ3 3.32Å
210V92.1Very high87.6Confident68 Ų68130.4 Ų130.441%0.41261%0.613SS.*Hα-helixtrans-63-41.2178.6173.40000110.8L206 I207 F212 W213 W214L206-V210 HydrophobicContact CD2-CG2 3.86Å; L206-V210 WeakPolarHBondContact O-CG2 3.37Å; L206-V210 PolarHBondContact O-N 3.05Å; I207-V210 PolarHBondContact O-N 2.96Å; V210-F212 VanDerWaalsContact C-N 3.35Å; V210-F212 PolarHBondContact O-N 3.07Å; V210-W213 PolarHBondContact O-N 3.44Å; V210-W214 WeakPolarHBondContact O-CB 3.4Å; V210-W214 PolarHBondContact O-N 3.1Å; V210-W214 VanDerWaalsContact O-N 3.1Å
211R87.8Confident87.3Confident183 Ų183136.9 Ų136.969%0.69163%0.631SS**Hα-helixtrans-64.8-37.5177.5-172.3-175.2173.6114.81.8112.4I207 V208 Y209 L215I207-R211 WeakPolarHBondContact O-CB 2.81Å; I207-R211 PolarHBondContact O-N 3.42Å; V208-R211 PolarHBondContact O-N 3.48Å; Y209-R211 VanDerWaalsContact C-N 3.32Å; Y209-R211 PolarHBondContact O-N 3.49Å; R211-L215 HydrophobicContact CG-CD1 4.06Å
212F87.9Confident87Confident173 Ų173139.5 Ų139.576%0.75963%0.632SS**Hα-helixtrans-75.3-26.9-179.9-171.4-94.8000113.1V208 Y209 V210V208-F212 WeakPolarHBondContact O-CB 3.39Å; V208-F212 PolarHBondContact O-N 3.26Å; Y209-F212 PolarHBondContact O-N 3.48Å; V210-F212 VanDerWaalsContact C-N 3.35Å; V210-F212 PolarHBondContact O-N 3.07Å
213W83.5Confident86.6Confident189 Ų189139.2 Ų139.272%0.71663%0.633SS**Hα-helixtrans-91.3-23.6-179-153.4-10.6000113.6Y209 V210Y209-W213 HydrophobicContact CD1-CE3 4.37Å; Y209-W213 AromaticContact CE1-CE3 3.45Å; Y209-W213 HydrophobicContact CE1-CE3 3.45Å; Y209-W213 VanDerWaalsContact CE1-CE3 3.45Å; Y209-W213 AromaticContact CE1-CZ3 3.64Å; Y209-W213 HydrophobicContact CE1-CZ3 3.64Å; Y209-W213 HydrophobicContact CE2-CE3 4.16Å; Y209-W213 HydrophobicContact CE2-CZ3 4.44Å; Y209-W213 AromaticContact CZ-CE3 3.35Å; Y209-W213 AromaticContact CZ-CZ3 3.39Å; Y209-W213 PolarHBondContact O-N 2.99Å; Y209-W213 VanDerWaalsContact O-N 3.07Å; Y209-W213 VanDerWaalsContact OH-CE3 3.3Å; Y209-W213 WeakPolarHBondContact OH-CZ3 3.32Å; V210-W213 PolarHBondContact O-N 3.44Å
214W71.4Confident86Confident231 Ų231139.8 Ų139.888%0.87564%0.637SS**Hα-helixtrans-95.2-6.5-178.8-142.6-66.5000114V210V210-W214 WeakPolarHBondContact O-CB 3.4Å; V210-W214 PolarHBondContact O-N 3.1Å; V210-W214 VanDerWaalsContact O-N 3.1Å
215L57Low85.4Confident186 Ų186142.5 Ų142.597%0.97464%0.644SS**  trans-107.10171.1-98.6136.2000109.7R211R211-L215 HydrophobicContact CG-CD1 4.06Å

Retrieved 215 of 215 residues in 1594.7 ms (Link to these results)

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